smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)N1C[C@@H](C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1=O ZINC000329029919 282187420 /nfs/dbraw/zinc/18/74/20/282187420.db2.gz AQRXSBQZBASNPN-RYUDHWBXSA-N 0 2 349.435 1.253 20 0 EDADLN CCCc1nc(=NC(=O)C2CC[NH+](Cc3nccn3C)CC2)s[n-]1 ZINC000558890936 306248019 /nfs/dbraw/zinc/24/80/19/306248019.db2.gz BEOOTPOCBMAMTF-UHFFFAOYSA-N 0 2 348.476 1.497 20 0 EDADLN Cc1nn(C)cc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccc1C ZINC000561691076 306290003 /nfs/dbraw/zinc/29/00/03/306290003.db2.gz WGEYLGYWGCOJGD-UHFFFAOYSA-N 0 2 343.430 1.241 20 0 EDADLN CC(C)(C)OC(=O)[C@H]1CCCCN1S(=O)(=O)NCC(F)(F)F ZINC000443039604 305233600 /nfs/dbraw/zinc/23/36/00/305233600.db2.gz IFOMFTWURZODMK-SECBINFHSA-N 0 2 346.371 1.579 20 0 EDADLN O=C([C@@H]1OCCc2ccccc21)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000563192128 306322358 /nfs/dbraw/zinc/32/23/58/306322358.db2.gz KOZXRNYWTITHHZ-CQSZACIVSA-N 0 2 328.372 1.530 20 0 EDADLN O=C(c1c[nH]nc1-c1ccccn1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000563192138 306322408 /nfs/dbraw/zinc/32/24/08/306322408.db2.gz FBYQOQXNXCVALJ-JTQLQIEISA-N 0 2 339.359 1.315 20 0 EDADLN Cc1cc(S(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)c(C)o1 ZINC000182793450 540133740 /nfs/dbraw/zinc/13/37/40/540133740.db2.gz KGAGXPDXJWWITL-GFCCVEGCSA-N 0 2 325.390 1.930 20 0 EDADLN O=S(=O)(Nc1nc(CN2CCOCC2)cs1)c1cccs1 ZINC000066248672 540192605 /nfs/dbraw/zinc/19/26/05/540192605.db2.gz XHZHYNCJGIUDDF-UHFFFAOYSA-N 0 2 345.471 1.838 20 0 EDADLN O=C(NCCNC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccccc1O ZINC000136319573 138431785 /nfs/dbraw/zinc/43/17/85/138431785.db2.gz JYRCFYRJFMJYCD-LLVKDONJSA-N 0 2 328.372 1.081 20 0 EDADLN O=C([O-])C[C@@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000564784198 306364406 /nfs/dbraw/zinc/36/44/06/306364406.db2.gz AZRVKUGLTHAPMW-AWEZNQCLSA-N 0 2 346.431 1.947 20 0 EDADLN C[C@@H]1[C@H](CO)CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000414066919 304099601 /nfs/dbraw/zinc/09/96/01/304099601.db2.gz KXXOFXGNURLZBD-NEPJUHHUSA-N 0 2 333.363 1.950 20 0 EDADLN O=S(=O)(Nc1cc(O)cc(F)c1)c1cnn([C@H]2CCOC2)c1 ZINC000131417311 223231683 /nfs/dbraw/zinc/23/16/83/223231683.db2.gz ZDJBVLYJBBEWAU-NSHDSACASA-N 0 2 327.337 1.490 20 0 EDADLN Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)c[nH]c12 ZINC000225625920 201035384 /nfs/dbraw/zinc/03/53/84/201035384.db2.gz OAZQLRQIPNMYHH-BXUZGUMPSA-N 0 2 325.368 1.599 20 0 EDADLN Cc1nnnn1-c1cc(NS(=O)(=O)c2cccs2)ccc1F ZINC000068716616 201163695 /nfs/dbraw/zinc/16/36/95/201163695.db2.gz SSXOYSGWAAFQDG-UHFFFAOYSA-N 0 2 339.377 1.972 20 0 EDADLN Cc1ccc(CCC(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1 ZINC000071939532 201172659 /nfs/dbraw/zinc/17/26/59/201172659.db2.gz KWQIMHKLGFJTQQ-UHFFFAOYSA-N 0 2 340.430 1.789 20 0 EDADLN Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[NH+](C2CCC2)CC1 ZINC000273697490 201262151 /nfs/dbraw/zinc/26/21/51/201262151.db2.gz NBPMRUYMQAKUOP-UHFFFAOYSA-N 0 2 328.390 1.145 20 0 EDADLN O=C(C1=NN(c2ccccc2)CC1=O)N(CCO)C1CCSCC1 ZINC000567061157 306436685 /nfs/dbraw/zinc/43/66/85/306436685.db2.gz OANAMICYQCXOKA-UHFFFAOYSA-N 0 2 347.440 1.908 20 0 EDADLN CC(C)CCc1nnc(NS(=O)(=O)c2ncn(C)c2Cl)o1 ZINC000194873017 139001776 /nfs/dbraw/zinc/00/17/76/139001776.db2.gz IMDOOOKIFDDSLE-UHFFFAOYSA-N 0 2 333.801 1.846 20 0 EDADLN O=S(=O)(Nc1nnc([C@@H]2CCCO2)o1)c1ccc(Cl)nc1 ZINC000194892090 139002059 /nfs/dbraw/zinc/00/20/59/139002059.db2.gz AIDSWQPRWQOOSA-QMMMGPOBSA-N 0 2 330.753 1.770 20 0 EDADLN CCc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])s1 ZINC000048443361 204348338 /nfs/dbraw/zinc/34/83/38/204348338.db2.gz NPNAUZLBUNYNOC-JTQLQIEISA-N 0 2 329.403 1.008 20 0 EDADLN CCc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])s1 ZINC000048443361 204348343 /nfs/dbraw/zinc/34/83/43/204348343.db2.gz NPNAUZLBUNYNOC-JTQLQIEISA-N 0 2 329.403 1.008 20 0 EDADLN CC(C)c1nc2n(n1)CCC[C@@H]2NS(=O)(=O)NCC(F)(F)F ZINC000195350400 139015347 /nfs/dbraw/zinc/01/53/47/139015347.db2.gz DTZDRYLLNVZDHA-QMMMGPOBSA-N 0 2 341.359 1.223 20 0 EDADLN CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236837274 139033009 /nfs/dbraw/zinc/03/30/09/139033009.db2.gz HPOLYLFIBMKPKX-HNNXBMFYSA-N 0 2 334.416 1.647 20 0 EDADLN CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236837274 139033010 /nfs/dbraw/zinc/03/30/10/139033010.db2.gz HPOLYLFIBMKPKX-HNNXBMFYSA-N 0 2 334.416 1.647 20 0 EDADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000133726529 205376353 /nfs/dbraw/zinc/37/63/53/205376353.db2.gz OAZMHOIFQUCAJI-UHFFFAOYSA-N 0 2 346.416 1.633 20 0 EDADLN CCS(=O)(=O)NCC(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000151505554 205646249 /nfs/dbraw/zinc/64/62/49/205646249.db2.gz RMONFTYGSKNGNH-HOTGVXAUSA-N 0 2 338.473 1.843 20 0 EDADLN O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000152056225 205700668 /nfs/dbraw/zinc/70/06/68/205700668.db2.gz IZQXSMINYOPQCN-SNVBAGLBSA-N 0 2 330.310 1.856 20 0 EDADLN C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245505212 139077133 /nfs/dbraw/zinc/07/71/33/139077133.db2.gz FTAKESWFPSLMSJ-CVEARBPZSA-N 0 2 331.464 1.691 20 0 EDADLN O=C(c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)N1CCC2(C1)CCCCC2 ZINC000174238531 207002103 /nfs/dbraw/zinc/00/21/03/207002103.db2.gz CLAXVZSEEVHNMT-UHFFFAOYSA-N 0 2 328.372 1.408 20 0 EDADLN CCc1ccc(C[N@H+](CCS(=O)(=O)CC(=O)[O-])C2CC2)cc1 ZINC000262303288 139268292 /nfs/dbraw/zinc/26/82/92/139268292.db2.gz LIWXLQDGIYPHHC-UHFFFAOYSA-N 0 2 325.430 1.713 20 0 EDADLN CCc1ccc(C[N@@H+](CCS(=O)(=O)CC(=O)[O-])C2CC2)cc1 ZINC000262303288 139268293 /nfs/dbraw/zinc/26/82/93/139268293.db2.gz LIWXLQDGIYPHHC-UHFFFAOYSA-N 0 2 325.430 1.713 20 0 EDADLN CCC(CC)(CNC(=O)NCCc1cn2c([nH+]1)CCCC2)C(=O)[O-] ZINC000424395085 252208140 /nfs/dbraw/zinc/20/81/40/252208140.db2.gz OGKUAHKDIHEYCZ-UHFFFAOYSA-N 0 2 336.436 1.952 20 0 EDADLN COc1cccc(S(O)=CC(=O)NCCSCCCO)c1 ZINC000424732924 252269494 /nfs/dbraw/zinc/26/94/94/252269494.db2.gz RDRUJBRUPAAQQM-NRFANRHFSA-N 0 2 331.459 1.035 20 0 EDADLN COc1cccc(S(O)=CC(=O)N[C@H](C)CO[C@H]2CCOC2)c1 ZINC000424719476 252266203 /nfs/dbraw/zinc/26/62/03/252266203.db2.gz SDTJLWQLHFSQBT-VFDKELDYSA-N 0 2 341.429 1.113 20 0 EDADLN COc1cccc(S(O)=CC(=O)N[C@H]2C[C@@H](OC(C)C)C2)c1 ZINC000424903467 252283955 /nfs/dbraw/zinc/28/39/55/252283955.db2.gz YMHWGCVPFWZCCR-HXZRUIPCSA-N 0 2 325.430 1.875 20 0 EDADLN C[C@@H](C(=O)[O-])C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000263537735 139346881 /nfs/dbraw/zinc/34/68/81/139346881.db2.gz ANNJZGOAYRUPBE-OLZOCXBDSA-N 0 2 333.388 1.382 20 0 EDADLN O=C(CN1CCCC[C@@H]1c1n[nH]c(=O)[nH]1)NCCCc1ccccc1 ZINC000450981477 254707340 /nfs/dbraw/zinc/70/73/40/254707340.db2.gz AHTUAPLCFFUEMN-OAHLLOKOSA-N 0 2 343.431 1.786 20 0 EDADLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccnn2C)cc1 ZINC000263833239 139363511 /nfs/dbraw/zinc/36/35/11/139363511.db2.gz DMJHBXNARACPFE-NSHDSACASA-N 0 2 336.417 1.749 20 0 EDADLN CCn1cc(S(=O)(=O)Nc2cccc(NS(C)(=O)=O)c2)cn1 ZINC000263843403 139364131 /nfs/dbraw/zinc/36/41/31/139364131.db2.gz JUDBNIALJLLGAA-UHFFFAOYSA-N 0 2 344.418 1.075 20 0 EDADLN CCn1nccc1S(=O)(=O)Nc1cncc(Br)c1 ZINC000471942895 255017481 /nfs/dbraw/zinc/01/74/81/255017481.db2.gz LJJNBKWXWJWNGJ-UHFFFAOYSA-N 0 2 331.195 1.861 20 0 EDADLN COCC[C@@]1(NC(=O)C2=NN(c3ccccc3)CC2=O)CCOC1 ZINC000487521879 255031505 /nfs/dbraw/zinc/03/15/05/255031505.db2.gz WQHRDHLQTLWYLR-QGZVFWFLSA-N 0 2 331.372 1.503 20 0 EDADLN C[C@H](COc1ccccc1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000570378196 306539487 /nfs/dbraw/zinc/53/94/87/306539487.db2.gz BFYXEISDQALKIZ-CHWSQXEVSA-N 0 2 330.388 1.931 20 0 EDADLN COc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1N1CCOC1=O ZINC000491846006 255151874 /nfs/dbraw/zinc/15/18/74/255151874.db2.gz HIRPBWWSICHGGG-UHFFFAOYSA-N 0 2 338.345 1.176 20 0 EDADLN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)OCc1n[nH]c(=O)[nH]1 ZINC000495697260 255317328 /nfs/dbraw/zinc/31/73/28/255317328.db2.gz YIPOPIIULAYNKF-SECBINFHSA-N 0 2 326.353 1.343 20 0 EDADLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1cccc(CCC(F)(F)F)c1 ZINC000119564507 221349360 /nfs/dbraw/zinc/34/93/60/221349360.db2.gz GFDITSMCINJESG-UHFFFAOYSA-N 0 2 329.282 1.915 20 0 EDADLN C[C@H](NC(=O)N(C)CCN1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000264305473 139395578 /nfs/dbraw/zinc/39/55/78/139395578.db2.gz YGDUSYCOPXUGFE-AWEZNQCLSA-N 0 2 349.431 1.492 20 0 EDADLN COCCCn1ccc(NS(=O)(=O)C[C@@H](CC(C)C)OC)n1 ZINC000421151530 304790458 /nfs/dbraw/zinc/79/04/58/304790458.db2.gz JWHUEPLABSRFLE-CYBMUJFWSA-N 0 2 333.454 1.722 20 0 EDADLN O=C([C@@H]1CC(=O)c2ccccc21)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000333615107 304295230 /nfs/dbraw/zinc/29/52/30/304295230.db2.gz YOJWKSCLNHGSCP-OLZOCXBDSA-N 0 2 326.356 1.934 20 0 EDADLN CCc1nnc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)s1 ZINC000267683425 139653530 /nfs/dbraw/zinc/65/35/30/139653530.db2.gz QIMDGGRZPDTRLY-UHFFFAOYSA-N 0 2 347.443 1.305 20 0 EDADLN Cc1cc(C(=O)NCC2([C@@H](O)C(C)C)CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000271837574 140358631 /nfs/dbraw/zinc/35/86/31/140358631.db2.gz HVQRLVVWWDYXDK-LBPRGKRZSA-N 0 2 346.387 1.271 20 0 EDADLN CC[C@H]1CN(C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)C[C@@H]1O ZINC000272569826 140478633 /nfs/dbraw/zinc/47/86/33/140478633.db2.gz CVHOSUJXRWYTOZ-FZMZJTMJSA-N 0 2 331.372 1.429 20 0 EDADLN Cc1ccsc1-c1nc(=NC(=O)C(C)(C)S(C)(=O)=O)s[nH]1 ZINC000332371177 141170415 /nfs/dbraw/zinc/17/04/15/141170415.db2.gz DBLJFTRSDSZYQA-UHFFFAOYSA-N 0 2 345.471 1.759 20 0 EDADLN O=C(c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)N1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000333624226 141346643 /nfs/dbraw/zinc/34/66/43/141346643.db2.gz ANKFHJWUBWXDRL-CHWSQXEVSA-N 0 2 326.356 1.697 20 0 EDADLN Cc1ccc2c(c1)CC[C@@H](C(=O)N[C@@H]1CCc3nnnn3CC1)O2 ZINC000333798700 141383841 /nfs/dbraw/zinc/38/38/41/141383841.db2.gz XSXNNITVXGOJFE-HIFRSBDPSA-N 0 2 327.388 1.196 20 0 EDADLN C[C@@H](NC(=O)C(=O)N1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000339317020 142012748 /nfs/dbraw/zinc/01/27/48/142012748.db2.gz RBDPRNSVFAPDSP-SNVBAGLBSA-N 0 2 346.305 1.621 20 0 EDADLN O=C(NCCc1c[nH]c2ccccc12)C(=O)NCCc1nccs1 ZINC000339509108 142062893 /nfs/dbraw/zinc/06/28/93/142062893.db2.gz LVOXCUQHWRWNTR-UHFFFAOYSA-N 0 2 342.424 1.642 20 0 EDADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C(=O)NC1CCCCC1 ZINC000339576237 142081772 /nfs/dbraw/zinc/08/17/72/142081772.db2.gz XRKZMNJAAJZEHQ-UHFFFAOYSA-N 0 2 348.428 1.804 20 0 EDADLN O=C(CCn1cc(Cl)cn1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000339598199 142088088 /nfs/dbraw/zinc/08/80/88/142088088.db2.gz IFAANIFYOUKKDU-UHFFFAOYSA-N 0 2 334.792 1.901 20 0 EDADLN O=C(CNC(=O)c1ccsc1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000339725234 142134573 /nfs/dbraw/zinc/13/45/73/142134573.db2.gz ACTBWEILGASZCD-UHFFFAOYSA-N 0 2 345.409 1.452 20 0 EDADLN C[C@@H]1COCC[N@@H+]1CCNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339929200 142202994 /nfs/dbraw/zinc/20/29/94/142202994.db2.gz OVXRQUXATBLBLG-GFCCVEGCSA-N 0 2 348.378 1.168 20 0 EDADLN C[C@@H]1COCC[N@H+]1CCNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000339929200 142202995 /nfs/dbraw/zinc/20/29/95/142202995.db2.gz OVXRQUXATBLBLG-GFCCVEGCSA-N 0 2 348.378 1.168 20 0 EDADLN COc1cc(NC(=O)C(=O)N[C@H]2CC[C@H](OC)C2)cc2cccnc21 ZINC000340360524 142358701 /nfs/dbraw/zinc/35/87/01/142358701.db2.gz HXHOKYKQVLIMAY-JSGCOSHPSA-N 0 2 343.383 1.866 20 0 EDADLN CS(=O)(=O)Nc1nnc(NC(=O)c2cc(O)ccc2Cl)s1 ZINC000353039234 149263110 /nfs/dbraw/zinc/26/31/10/149263110.db2.gz IPZPCJNODWKTBA-UHFFFAOYSA-N 0 2 348.793 1.521 20 0 EDADLN O=C(NCC[C@@H]1CCOC1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000353207632 149324700 /nfs/dbraw/zinc/32/47/00/149324700.db2.gz JGAXDDXLMZCKTA-CYBMUJFWSA-N 0 2 345.403 1.610 20 0 EDADLN COC(=O)[C@@H](CC1CCCCC1)NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000357167240 150944862 /nfs/dbraw/zinc/94/48/62/150944862.db2.gz BSYQRRBTOHKOPC-SNVBAGLBSA-N 0 2 342.421 1.231 20 0 EDADLN CCn1nccc1S(=O)(=O)Nc1ccc(F)c(C(=O)OC)c1C ZINC000357335335 151000378 /nfs/dbraw/zinc/00/03/78/151000378.db2.gz CEGOMMALWUBRPY-UHFFFAOYSA-N 0 2 341.364 1.938 20 0 EDADLN CC[N@H+](C)[C@H](C(=O)N[C@@H](C)CC[NH+]1CCOCC1)c1ccccc1 ZINC000358034056 151242056 /nfs/dbraw/zinc/24/20/56/151242056.db2.gz YHQBOFXVMKQXHD-WMZOPIPTSA-N 0 2 333.476 1.906 20 0 EDADLN 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/nfs/dbraw/zinc/29/72/98/579297298.db2.gz GYRYKQNVWQRTBJ-INIZCTEOSA-N 0 2 346.431 1.577 20 0 EDADLN Cc1cccn2cc(CC(=O)N[C@@H](CNC(=O)[O-])CC(C)C)[nH+]c12 ZINC000740189320 579298635 /nfs/dbraw/zinc/29/86/35/579298635.db2.gz DHURFKXOXNXDRO-CYBMUJFWSA-N 0 2 332.404 1.984 20 0 EDADLN Cc1ccn2cc(CNC(=O)N3CC[C@H](CNC(=O)[O-])C3)[nH+]c2c1 ZINC000740194407 579299102 /nfs/dbraw/zinc/29/91/02/579299102.db2.gz SIZOCLHLDUEITL-GFCCVEGCSA-N 0 2 331.376 1.442 20 0 EDADLN N=C1NC(=O)[C@H](CC(=O)NCc2ccccc2OC(F)(F)F)S1 ZINC000745423109 579549763 /nfs/dbraw/zinc/54/97/63/579549763.db2.gz LOLJPISRNSIFFJ-VIFPVBQESA-N 0 2 347.318 1.758 20 0 EDADLN CC(=O)Nc1cccc([C@H](C)NC(=O)C[C@H]2SC(=N)NC2=O)c1 ZINC000745428415 579549958 /nfs/dbraw/zinc/54/99/58/579549958.db2.gz VXRGTMAIFIKQNF-QPUJVOFHSA-N 0 2 334.401 1.379 20 0 EDADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)OC2CCC2)cn1 ZINC000747770905 579657701 /nfs/dbraw/zinc/65/77/01/579657701.db2.gz KISUXFMVSLIFJQ-UHFFFAOYSA-N 0 2 341.414 1.992 20 0 EDADLN COC(=O)c1cc(NS(=O)(=O)c2cnn(CC3CC3)c2)cn1C ZINC000777636823 580447174 /nfs/dbraw/zinc/44/71/74/580447174.db2.gz DBRCKVXBZIZZHG-UHFFFAOYSA-N 0 2 338.389 1.219 20 0 EDADLN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000748383011 579683421 /nfs/dbraw/zinc/68/34/21/579683421.db2.gz OTQOHLLZBTVGQM-UHFFFAOYSA-N 0 2 345.334 1.975 20 0 EDADLN C[C@@H]1CSc2ccccc2N1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000750867086 579784786 /nfs/dbraw/zinc/78/47/86/579784786.db2.gz LFVGEWCYBBEGDD-SNVBAGLBSA-N 0 2 341.396 1.599 20 0 EDADLN CCCCO[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2SC(=N)NC2=O)C1(C)C ZINC000752706793 579864123 /nfs/dbraw/zinc/86/41/23/579864123.db2.gz YQHUUXPCBXSLBY-SDDRHHMPSA-N 0 2 341.477 1.985 20 0 EDADLN CC(C)C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)OC(C)(C)C ZINC000753745402 579886246 /nfs/dbraw/zinc/88/62/46/579886246.db2.gz MTKDFUAJHJRJSU-VHSXEESVSA-N 0 2 343.449 1.415 20 0 EDADLN COC(=O)C[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)C1CC1 ZINC000754034551 579894392 /nfs/dbraw/zinc/89/43/92/579894392.db2.gz DJJLQUQPFSARNC-CYBMUJFWSA-N 0 2 329.356 1.649 20 0 EDADLN COC(=O)c1cc(S(=O)(=O)Nc2cncc(Cl)n2)ccc1F ZINC000755106480 579920046 /nfs/dbraw/zinc/92/00/46/579920046.db2.gz NKLISKZYGGTMCY-UHFFFAOYSA-N 0 2 345.739 1.857 20 0 EDADLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCc1ccc(C2CCC2)cc1 ZINC000756776162 579956907 /nfs/dbraw/zinc/95/69/07/579956907.db2.gz XLLPEUPCYCOIOQ-UHFFFAOYSA-N 0 2 337.383 1.655 20 0 EDADLN CC(C)Cn1ncc(NC(=O)CC2SC(=N)NC2=O)c1C(F)F ZINC000762228964 580070210 /nfs/dbraw/zinc/07/02/10/580070210.db2.gz CJILHNDBOUJAMR-MRVPVSSYSA-N 0 2 345.375 1.972 20 0 EDADLN CC(C)Cn1ncc(NC(=O)C[C@H]2SC(=N)NC2=O)c1C(F)F ZINC000762228964 580070211 /nfs/dbraw/zinc/07/02/11/580070211.db2.gz CJILHNDBOUJAMR-MRVPVSSYSA-N 0 2 345.375 1.972 20 0 EDADLN CO[C@@H](CNC(=O)C[C@H]1SC(=N)NC1=O)c1ccccc1Cl ZINC000764040647 580111932 /nfs/dbraw/zinc/11/19/32/580111932.db2.gz VYLRXNXKXPAULP-WDEREUQCSA-N 0 2 341.820 1.700 20 0 EDADLN CNC(=O)Cc1ccc(NS(=O)(=O)c2cnc(Cl)n2C)cc1 ZINC000765041861 580133759 /nfs/dbraw/zinc/13/37/59/580133759.db2.gz ROABAGGNHDROKA-UHFFFAOYSA-N 0 2 342.808 1.163 20 0 EDADLN COc1ccc2c(c1)CCCCN2C(=O)CC1SC(=N)NC1=O ZINC000766053981 580157714 /nfs/dbraw/zinc/15/77/14/580157714.db2.gz YVYXMZMIJLYFFM-CYBMUJFWSA-N 0 2 333.413 1.921 20 0 EDADLN COc1ccc2c(c1)CCCCN2C(=O)C[C@H]1SC(=N)NC1=O ZINC000766053981 580157715 /nfs/dbraw/zinc/15/77/15/580157715.db2.gz YVYXMZMIJLYFFM-CYBMUJFWSA-N 0 2 333.413 1.921 20 0 EDADLN CC(C)Oc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)nc1 ZINC000766329779 580164665 /nfs/dbraw/zinc/16/46/65/580164665.db2.gz YKLVUGFQJAAZIB-UHFFFAOYSA-N 0 2 325.324 1.810 20 0 EDADLN COC(=O)[C@@H]1CCC[C@@H](C(=O)NS(=O)(=O)c2ccsc2)C1 ZINC000766456672 580167362 /nfs/dbraw/zinc/16/73/62/580167362.db2.gz MDQNASMEUGZJDN-NXEZZACHSA-N 0 2 331.415 1.532 20 0 EDADLN N=C1NC(=O)[C@H](CC(=O)N[C@H]2CCOC3(CCCCC3)C2)S1 ZINC000769325265 580233782 /nfs/dbraw/zinc/23/37/82/580233782.db2.gz JWFPOLCWEQQCFX-QWRGUYRKSA-N 0 2 325.434 1.541 20 0 EDADLN CC[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)c1ncc[nH]1 ZINC000769670518 580242439 /nfs/dbraw/zinc/24/24/39/580242439.db2.gz TVLMRMHADUVPRC-NSHDSACASA-N 0 2 343.412 1.826 20 0 EDADLN N=C1NC(=O)[C@H](CC(=O)N2Cc3ccccc3C(F)(F)C2)S1 ZINC000771787343 580293994 /nfs/dbraw/zinc/29/39/94/580293994.db2.gz RFQAPVIDVBRCAU-JTQLQIEISA-N 0 2 325.340 1.677 20 0 EDADLN CCOC(=O)[C@H]1CSCCN1CC(=O)NOCc1ccccc1 ZINC000772176380 580304778 /nfs/dbraw/zinc/30/47/78/580304778.db2.gz YGGYYFFKEMTMJW-CQSZACIVSA-N 0 2 338.429 1.215 20 0 EDADLN O=C(NN1CCCCC1)c1cccc(C(=O)NN2CCCCC2)c1O ZINC000774081330 580353254 /nfs/dbraw/zinc/35/32/54/580353254.db2.gz JYELEZCOYPUAGH-UHFFFAOYSA-N 0 2 346.431 1.654 20 0 EDADLN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCc1n[nH]c(=O)[nH]1 ZINC000774893481 580376753 /nfs/dbraw/zinc/37/67/53/580376753.db2.gz CQRPJHZMGNPKGF-ZDUSSCGKSA-N 0 2 330.344 1.090 20 0 EDADLN O=C(CCc1cccc(Br)c1)OCc1n[nH]c(=O)[nH]1 ZINC000774910000 580377308 /nfs/dbraw/zinc/37/73/08/580377308.db2.gz RXGBDWOKMHCENO-UHFFFAOYSA-N 0 2 326.150 1.949 20 0 EDADLN O=C(NCCCOC(=O)c1c(F)cc(O)cc1F)C(F)(F)F ZINC000774961670 580379036 /nfs/dbraw/zinc/37/90/36/580379036.db2.gz NSZRCNRLZIGJOC-UHFFFAOYSA-N 0 2 327.205 1.896 20 0 EDADLN CS(=O)(=O)N1CCC(NC(=O)c2cccc(Cl)c2O)CC1 ZINC000775648606 580396254 /nfs/dbraw/zinc/39/62/54/580396254.db2.gz DTBTYHKOSIRHCY-UHFFFAOYSA-N 0 2 332.809 1.199 20 0 EDADLN NS(=O)(=O)c1cccc(CNC(=O)c2cccc(Cl)c2O)c1 ZINC000775655969 580396402 /nfs/dbraw/zinc/39/64/02/580396402.db2.gz NVGCNPAKXKKYEF-UHFFFAOYSA-N 0 2 340.788 1.623 20 0 EDADLN COc1c(S(=O)(=O)NC(=O)/C(C)=C/C(C)(C)C)c(C)nn1C ZINC000778835666 580473431 /nfs/dbraw/zinc/47/34/31/580473431.db2.gz JOEPLAIXCLZBLD-CMDGGOBGSA-N 0 2 329.422 1.534 20 0 EDADLN COc1ccc(N2CC(=O)C(C(=O)NCC(=O)OC(C)C)=N2)cc1 ZINC000779484028 580486966 /nfs/dbraw/zinc/48/69/66/580486966.db2.gz QCOOUZRMWZUGDJ-UHFFFAOYSA-N 0 2 333.344 1.268 20 0 EDADLN CC(C)(CNC(=O)N[C@@H](C(=O)[O-])C1CCCCC1)[NH+]1CCOCC1 ZINC000780341855 580519058 /nfs/dbraw/zinc/51/90/58/580519058.db2.gz RGZOVBHOHBUPLL-CQSZACIVSA-N 0 2 341.452 1.430 20 0 EDADLN CC(C)C[C@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C(=O)[O-] ZINC000780483456 580524275 /nfs/dbraw/zinc/52/42/75/580524275.db2.gz LCKKOVWVQACYNG-ZDUSSCGKSA-N 0 2 331.376 1.566 20 0 EDADLN O=C(CC1CCSCC1)NS(=O)(=O)c1cnn(CC2CC2)c1 ZINC000781721302 580555347 /nfs/dbraw/zinc/55/53/47/580555347.db2.gz OMBHOQNEXRJDGY-UHFFFAOYSA-N 0 2 343.474 1.631 20 0 EDADLN CCOc1ccc(S(=O)(=O)NC(=O)c2ccnc(C3CC3)c2)cn1 ZINC000783432643 580599987 /nfs/dbraw/zinc/59/99/87/580599987.db2.gz IMQWCUXOMBPMBD-UHFFFAOYSA-N 0 2 347.396 1.871 20 0 EDADLN COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3occc3C)C2=O)cc1 ZINC000784924309 580632323 /nfs/dbraw/zinc/63/23/23/580632323.db2.gz INEHKWNEYQBHKT-KRWDZBQOSA-N 0 2 343.339 1.709 20 0 EDADLN Cc1nnc([C@@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F)s1 ZINC000784966502 580633070 /nfs/dbraw/zinc/63/30/70/580633070.db2.gz CCKWXHVIVBPHRJ-RXMQYKEDSA-N 0 2 325.312 1.908 20 0 EDADLN CC(=O)OCC(C)(C)CC(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000785425730 580643736 /nfs/dbraw/zinc/64/37/36/580643736.db2.gz WGMJPNHSJOLFEJ-UHFFFAOYSA-N 0 2 333.344 1.948 20 0 EDADLN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC000788302996 580716673 /nfs/dbraw/zinc/71/66/73/580716673.db2.gz BWLVLXTTYBZEFX-BDAKNGLRSA-N 0 2 334.335 1.207 20 0 EDADLN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC000788302996 580716674 /nfs/dbraw/zinc/71/66/74/580716674.db2.gz BWLVLXTTYBZEFX-BDAKNGLRSA-N 0 2 334.335 1.207 20 0 EDADLN CC(=O)Nc1ccc(Cl)c(C(=O)NCCc2n[nH]c(=S)o2)c1 ZINC000789923877 580757106 /nfs/dbraw/zinc/75/71/06/580757106.db2.gz PYPHDRSIBPTMIS-UHFFFAOYSA-N 0 2 340.792 1.943 20 0 EDADLN CC(=O)Nc1ccc(Cl)c(C(=O)NCCC2N=NC(=S)O2)c1 ZINC000789923877 580757107 /nfs/dbraw/zinc/75/71/07/580757107.db2.gz PYPHDRSIBPTMIS-UHFFFAOYSA-N 0 2 340.792 1.943 20 0 EDADLN O=C(OCc1n[nH]c(=O)[nH]1)c1cnc(Br)c(Cl)c1 ZINC000792599289 580823678 /nfs/dbraw/zinc/82/36/78/580823678.db2.gz QXXNNJPRSVHLFZ-UHFFFAOYSA-N 0 2 333.529 1.678 20 0 EDADLN CCOc1ccc(S(=O)(=O)NC(=O)C[C@@H]2CCCOC2)cn1 ZINC000796828686 580962907 /nfs/dbraw/zinc/96/29/07/580962907.db2.gz LVLCDKXHBVJSMQ-NSHDSACASA-N 0 2 328.390 1.102 20 0 EDADLN O=C([N-]S(=O)(=O)CCC(F)(F)F)c1ccnc(-n2cc[nH+]c2)c1 ZINC000797254767 580971291 /nfs/dbraw/zinc/97/12/91/580971291.db2.gz QJYAAVVJQBNICE-UHFFFAOYSA-N 0 2 348.306 1.279 20 0 EDADLN NC(=O)c1cnc(NS(=O)(=O)/C=C\c2ccccc2F)s1 ZINC000800028739 581041012 /nfs/dbraw/zinc/04/10/12/581041012.db2.gz IDPRBIRZBDYBRC-WAYWQWQTSA-N 0 2 327.362 1.794 20 0 EDADLN COC(=O)c1cnc(NS(=O)(=O)/C=C/c2ccccc2F)cn1 ZINC000800043578 581041249 /nfs/dbraw/zinc/04/12/49/581041249.db2.gz KCPVWIDOTRNAEP-VOTSOKGWSA-N 0 2 337.332 1.815 20 0 EDADLN O=C(OCCN1CCCC1=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000801325061 581072888 /nfs/dbraw/zinc/07/28/88/581072888.db2.gz IGZGDGSOLWTACB-UHFFFAOYSA-N 0 2 333.319 1.496 20 0 EDADLN CC(=O)NCCCOC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000801373176 581074579 /nfs/dbraw/zinc/07/45/79/581074579.db2.gz SLNQRWSRBNXALE-UHFFFAOYSA-N 0 2 337.763 1.914 20 0 EDADLN 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/nfs/dbraw/zinc/63/84/83/591638483.db2.gz HJIMKAYWYKORRB-RISCZKNCSA-N 0 2 332.360 1.597 20 0 EDADLN Cc1[nH+]c2ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]3CCCOC3)cc2n1C ZINC000909546466 591654116 /nfs/dbraw/zinc/65/41/16/591654116.db2.gz QKARTCDVBCDMEF-DOMZBBRYSA-N 0 2 331.372 1.491 20 0 EDADLN CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2ccnn2CC2CCC2)[n-]1 ZINC000895243169 591675856 /nfs/dbraw/zinc/67/58/56/591675856.db2.gz XLYAZRLDWPSHJR-LLVKDONJSA-N 0 2 332.408 1.829 20 0 EDADLN CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2cnn(CC3CCC3)c2)[n-]1 ZINC000895331075 591718229 /nfs/dbraw/zinc/71/82/29/591718229.db2.gz UYLJAILOYBPWLQ-NSHDSACASA-N 0 2 332.408 1.829 20 0 EDADLN Cn1cnnc1-n1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)cc1=O ZINC000899347744 591785952 /nfs/dbraw/zinc/78/59/52/591785952.db2.gz CVEJJFUFIKCSQE-UHFFFAOYSA-N 0 2 348.407 1.555 20 0 EDADLN CO[C@@H](C)c1cc(=O)n(-c2ccc(S(=O)(=O)C(F)F)cc2)[nH]1 ZINC000899349479 591787816 /nfs/dbraw/zinc/78/78/16/591787816.db2.gz CZWLZQTXOILLCT-QMMMGPOBSA-N 0 2 332.328 1.811 20 0 EDADLN Cn1c2ccc(NS(=O)(=O)c3cnc4n3CCCC4)cc2oc1=O ZINC000901887189 591857910 /nfs/dbraw/zinc/85/79/10/591857910.db2.gz IEILMGTYSYWMLV-UHFFFAOYSA-N 0 2 348.384 1.465 20 0 EDADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](OC)C(=O)[O-] ZINC000901918311 591860262 /nfs/dbraw/zinc/86/02/62/591860262.db2.gz ZHHNEMLIHINQJX-OAHLLOKOSA-N 0 2 335.404 1.246 20 0 EDADLN COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]2C(=O)[O-])CC1 ZINC000901901105 591863090 /nfs/dbraw/zinc/86/30/90/591863090.db2.gz AVWLCDQPQQCSPM-HZPDHXFCSA-N 0 2 346.427 1.759 20 0 EDADLN Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000901911265 591867051 /nfs/dbraw/zinc/86/70/51/591867051.db2.gz MYJPVSBDGIJEMM-BDJLRTHQSA-N 0 2 333.363 1.994 20 0 EDADLN Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1C[C@@H](C)O[C@@H](C(=O)[O-])C1 ZINC000901911265 591867055 /nfs/dbraw/zinc/86/70/55/591867055.db2.gz MYJPVSBDGIJEMM-BDJLRTHQSA-N 0 2 333.363 1.994 20 0 EDADLN COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1OC(F)F ZINC000901934766 591868737 /nfs/dbraw/zinc/86/87/37/591868737.db2.gz OOTWTOMYTKTXPB-RNCFNFMXSA-N 0 2 331.315 1.971 20 0 EDADLN COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1OC(F)F ZINC000901934766 591868738 /nfs/dbraw/zinc/86/87/38/591868738.db2.gz OOTWTOMYTKTXPB-RNCFNFMXSA-N 0 2 331.315 1.971 20 0 EDADLN Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccccc1F ZINC000901959632 591878663 /nfs/dbraw/zinc/87/86/63/591878663.db2.gz YNHQKESRWUIHCB-GYSYKLTISA-N 0 2 331.347 1.876 20 0 EDADLN COC(=O)c1cc2cccnc2c(NS(=O)(=O)C[C@@H](C)OC)c1 ZINC000901962697 591879700 /nfs/dbraw/zinc/87/97/00/591879700.db2.gz KVNJSDLELJUPEC-SNVBAGLBSA-N 0 2 338.385 1.798 20 0 EDADLN O=C([O-])c1cncc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)c1 ZINC000902039995 591901292 /nfs/dbraw/zinc/90/12/92/591901292.db2.gz SJLMVFFMDCUAEC-HNNXBMFYSA-N 0 2 326.356 1.778 20 0 EDADLN O=C([O-])c1cncc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000902039995 591901293 /nfs/dbraw/zinc/90/12/93/591901293.db2.gz SJLMVFFMDCUAEC-HNNXBMFYSA-N 0 2 326.356 1.778 20 0 EDADLN O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC000902342778 591977488 /nfs/dbraw/zinc/97/74/88/591977488.db2.gz RNYJUPSJLPDNAX-UONOGXRCSA-N 0 2 349.456 1.752 20 0 EDADLN Cn1cc(C[NH2+][C@H](C(=O)[O-])c2ccccc2OC(F)(F)F)nn1 ZINC000902567406 592014647 /nfs/dbraw/zinc/01/46/47/592014647.db2.gz LUXBGEXTQGPISL-NSHDSACASA-N 0 2 330.266 1.629 20 0 EDADLN O=C([O-])c1ccc(N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)[nH+]c1 ZINC000900988859 592191485 /nfs/dbraw/zinc/19/14/85/592191485.db2.gz PBXHVPNSBYMYIY-CQSZACIVSA-N 0 2 341.367 1.872 20 0 EDADLN CCO[C@H]1C[C@]([NH3+])(C(=O)[N-]S(=O)(=O)Cc2ccccc2)C1(C)C ZINC000901008247 592193970 /nfs/dbraw/zinc/19/39/70/592193970.db2.gz UCEJWQHWJHKIIX-BBRMVZONSA-N 0 2 340.445 1.165 20 0 EDADLN CC(C)c1cnc(NS(=O)(=O)N=[S@](C)(=O)N(C)C)s1 ZINC000903606041 592232975 /nfs/dbraw/zinc/23/29/75/592232975.db2.gz GJQCOERQNLCJCY-SFHVURJKSA-N 0 2 326.469 1.498 20 0 EDADLN O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000903616923 592241315 /nfs/dbraw/zinc/24/13/15/592241315.db2.gz NQKOHCFKTYQICR-HDEZJCGLSA-N 0 2 337.391 1.939 20 0 EDADLN O=C([O-])[C@@H]1C[C@H](F)C[N@@H+]1C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000903616923 592241317 /nfs/dbraw/zinc/24/13/17/592241317.db2.gz NQKOHCFKTYQICR-HDEZJCGLSA-N 0 2 337.391 1.939 20 0 EDADLN Cn1cc(S(=O)(=O)Nc2ccc3nncn3c2)c(C2CCCC2)n1 ZINC000903619795 592242130 /nfs/dbraw/zinc/24/21/30/592242130.db2.gz QHKVUEGCCYIKBF-UHFFFAOYSA-N 0 2 346.416 1.921 20 0 EDADLN CCc1nn(C)cc1S(=O)(=O)Nc1ccnn1[C@@H]1CCCOC1 ZINC000903684109 592274620 /nfs/dbraw/zinc/27/46/20/592274620.db2.gz KMOHIHOVUBQSCS-LLVKDONJSA-N 0 2 339.421 1.331 20 0 EDADLN O=C([O-])CC[C@@H]1C[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)CO1 ZINC000901607187 592411545 /nfs/dbraw/zinc/41/15/45/592411545.db2.gz MONAGVHCVZWZGL-LSDHHAIUSA-N 0 2 343.383 1.758 20 0 EDADLN O=C([O-])N[C@H]1C[C@@H](Nc2cccc(CN3CCOCC3)[nH+]2)C12CCC2 ZINC000904227249 592460303 /nfs/dbraw/zinc/46/03/03/592460303.db2.gz GHLPDWFMLMFEMR-CABCVRRESA-N 0 2 346.431 1.905 20 0 EDADLN O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C12CCC2 ZINC000904244380 592461394 /nfs/dbraw/zinc/46/13/94/592461394.db2.gz NHACDFLUVCBKAQ-ZIAGYGMSSA-N 0 2 327.388 1.936 20 0 EDADLN COC(=O)[C@H](CC1CCOCC1)[NH2+][C@@H]1C[C@H](NC(=O)[O-])C12CCC2 ZINC000904257354 592465926 /nfs/dbraw/zinc/46/59/26/592465926.db2.gz VVSDJAZDRNEHTP-MJBXVCDLSA-N 0 2 340.420 1.513 20 0 EDADLN Cn1cc(-c2[nH]ncc2C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)cn1 ZINC000908570702 592543150 /nfs/dbraw/zinc/54/31/50/592543150.db2.gz KDLRJZDFEBINFI-UHFFFAOYSA-N 0 2 342.447 1.901 20 0 EDADLN C[C@H](C(=O)N[C@H](CC(=O)[O-])c1cccs1)[NH+]1CCSCC1 ZINC000908646951 592566490 /nfs/dbraw/zinc/56/64/90/592566490.db2.gz UASFZUPKUODAOB-GHMZBOCLSA-N 0 2 328.459 1.817 20 0 EDADLN O=C([O-])[C@H]1CC12CCN(C(=O)c1cc(-n3cc[nH+]c3)ccn1)CC2 ZINC000908653198 592567449 /nfs/dbraw/zinc/56/74/49/592567449.db2.gz UDQAQLQAOMRMTN-CYBMUJFWSA-N 0 2 326.356 1.594 20 0 EDADLN CCC[C@@]1(C(=O)[O-])CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000908747880 592593995 /nfs/dbraw/zinc/59/39/95/592593995.db2.gz RUXYRDIEDLMKOD-KRWDZBQOSA-N 0 2 341.452 1.526 20 0 EDADLN C[C@H](CNC(=O)N[C@]1(C(=O)[O-])CCCC(C)(C)C1)[NH+]1CCOCC1 ZINC000908801270 592616696 /nfs/dbraw/zinc/61/66/96/592616696.db2.gz DINOILSEERBLNF-CXAGYDPISA-N 0 2 341.452 1.430 20 0 EDADLN C[C@H](CNC(=O)N[C@H](C(=O)[O-])C1CCCCCC1)[NH+]1CCOCC1 ZINC000908801216 592616710 /nfs/dbraw/zinc/61/67/10/592616710.db2.gz CLUSCXAAKGWWGM-HIFRSBDPSA-N 0 2 341.452 1.430 20 0 EDADLN Cc1ccc([C@H](NC(=O)NC[C@@H](C)[NH+]2CCOCC2)C(=O)[O-])cc1C ZINC000908804811 592617827 /nfs/dbraw/zinc/61/78/27/592617827.db2.gz YGEKZHSNAYBBIQ-ZBFHGGJFSA-N 0 2 349.431 1.449 20 0 EDADLN C[C@H](CNC(=O)N[C@H](CC1CCCCC1)C(=O)[O-])[NH+]1CCOCC1 ZINC000908804370 592629743 /nfs/dbraw/zinc/62/97/43/592629743.db2.gz VFHVRIXSINYPHT-UKRRQHHQSA-N 0 2 341.452 1.430 20 0 EDADLN COc1c(C[N@@H+]2CCOc3c(cccc3C(=O)[O-])C2)c(C)nn1C ZINC000905738528 592633551 /nfs/dbraw/zinc/63/35/51/592633551.db2.gz JDVJJJOKNFKOJW-UHFFFAOYSA-N 0 2 331.372 1.830 20 0 EDADLN COc1c(C[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)c(C)nn1C ZINC000905738528 592633552 /nfs/dbraw/zinc/63/35/52/592633552.db2.gz JDVJJJOKNFKOJW-UHFFFAOYSA-N 0 2 331.372 1.830 20 0 EDADLN CCCN(CC(=O)[O-])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000908829858 592634899 /nfs/dbraw/zinc/63/48/99/592634899.db2.gz OUQFFRTYXVHBNN-MRXNPFEDSA-N 0 2 349.431 1.566 20 0 EDADLN CO[C@@H]1CCN(C(=O)NCc2cn3ccc(C)cc3[nH+]2)[C@@H](C(=O)[O-])C1 ZINC000908866222 592637388 /nfs/dbraw/zinc/63/73/88/592637388.db2.gz KMZGHRJNCKKRJG-ZIAGYGMSSA-N 0 2 346.387 1.416 20 0 EDADLN COc1cccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000908857843 592644086 /nfs/dbraw/zinc/64/40/86/592644086.db2.gz VNJDZYAZPLLYIE-UKRRQHHQSA-N 0 2 343.383 1.786 20 0 EDADLN CC[C@H](C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC000909866872 592703014 /nfs/dbraw/zinc/70/30/14/592703014.db2.gz LLYRCFRXYKEZHQ-LJISPDSOSA-N 0 2 328.453 1.881 20 0 EDADLN CC[C@H](C(=O)N[C@@H](C[C@@H](C)CC)C(=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC000909866872 592703017 /nfs/dbraw/zinc/70/30/17/592703017.db2.gz LLYRCFRXYKEZHQ-LJISPDSOSA-N 0 2 328.453 1.881 20 0 EDADLN CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000907558326 592707610 /nfs/dbraw/zinc/70/76/10/592707610.db2.gz GJLWNYWVLMZCDX-QGZVFWFLSA-N 0 2 347.507 1.368 20 0 EDADLN O=C([O-])c1cn(CCNC(=O)COc2ccc3c(c2)CCCC3)c[nH+]1 ZINC000909916561 592712901 /nfs/dbraw/zinc/71/29/01/592712901.db2.gz SAQMIXBPIUMQMU-UHFFFAOYSA-N 0 2 343.383 1.655 20 0 EDADLN O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000909020926 592715244 /nfs/dbraw/zinc/71/52/44/592715244.db2.gz SCOTWQCLZHFGPS-LRDDRELGSA-N 0 2 340.383 1.661 20 0 EDADLN O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000909020926 592715246 /nfs/dbraw/zinc/71/52/46/592715246.db2.gz SCOTWQCLZHFGPS-LRDDRELGSA-N 0 2 340.383 1.661 20 0 EDADLN CN(C)c1cccc(CCC(=O)NCCn2c[nH+]c(C(=O)[O-])c2)c1 ZINC000909910294 592720542 /nfs/dbraw/zinc/72/05/42/592720542.db2.gz NEVVVIWHJLGDNV-UHFFFAOYSA-N 0 2 330.388 1.396 20 0 EDADLN C[C@@H](C(=O)NC(C)(C)c1cc(C(=O)[O-])on1)[NH+]1CCSCC1 ZINC000909924969 592721783 /nfs/dbraw/zinc/72/17/83/592721783.db2.gz XBBFXRIMLKFOFR-VIFPVBQESA-N 0 2 327.406 1.161 20 0 EDADLN Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC3(CCC3)[C@@](F)(C(=O)[O-])C1)CC2 ZINC000909942293 592726263 /nfs/dbraw/zinc/72/62/63/592726263.db2.gz VQTNMLYEEVGAGC-GTNSWQLSSA-N 0 2 335.379 1.628 20 0 EDADLN Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC3(CCC3)[C@@](F)(C(=O)[O-])C1)C2 ZINC000909942293 592726267 /nfs/dbraw/zinc/72/62/67/592726267.db2.gz VQTNMLYEEVGAGC-GTNSWQLSSA-N 0 2 335.379 1.628 20 0 EDADLN O=C([O-])[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccs1 ZINC000909087142 592727974 /nfs/dbraw/zinc/72/79/74/592727974.db2.gz SWVKQSBDXFJHST-BXUZGUMPSA-N 0 2 346.412 1.847 20 0 EDADLN Cn1cc[nH+]c1CNc1ccc(C(=O)N[C@@](C)(CCF)C(=O)[O-])cc1 ZINC000909969906 592735451 /nfs/dbraw/zinc/73/54/51/592735451.db2.gz DBFUFGWZVYFFJQ-KRWDZBQOSA-N 0 2 348.378 1.965 20 0 EDADLN CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000909987504 592738949 /nfs/dbraw/zinc/73/89/49/592738949.db2.gz WRVFRZYTFAZRGX-OAHLLOKOSA-N 0 2 338.379 1.641 20 0 EDADLN CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC000909987504 592738952 /nfs/dbraw/zinc/73/89/52/592738952.db2.gz WRVFRZYTFAZRGX-OAHLLOKOSA-N 0 2 338.379 1.641 20 0 EDADLN O=C([O-])[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000909174200 592749558 /nfs/dbraw/zinc/74/95/58/592749558.db2.gz HZYPUNLIBNBLGG-KBPBESRZSA-N 0 2 327.384 1.574 20 0 EDADLN O=C([O-])[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000909174200 592749559 /nfs/dbraw/zinc/74/95/59/592749559.db2.gz HZYPUNLIBNBLGG-KBPBESRZSA-N 0 2 327.384 1.574 20 0 EDADLN C/C(=C/C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])C[NH+]1CCOCC1 ZINC000909177144 592750903 /nfs/dbraw/zinc/75/09/03/592750903.db2.gz AFSGVQMZXONBTM-HKBKRHGFSA-N 0 2 346.427 1.325 20 0 EDADLN Cn1cc[nH+]c1CNc1ccc(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)cc1 ZINC000910124960 592777043 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C[C@H]1OCCC[C@@H]1C(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000911170718 592948577 /nfs/dbraw/zinc/94/85/77/592948577.db2.gz YIPIMZXKFGFYLR-OCCSQVGLSA-N 0 2 333.388 1.244 20 0 EDADLN CC(C)[C@H](C)N(CC(F)(F)F)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000733934652 592954767 /nfs/dbraw/zinc/95/47/67/592954767.db2.gz ZTEIXIAPHQKTCY-VIFPVBQESA-N 0 2 345.325 1.507 20 0 EDADLN C[C@](CC(=O)[O-])(NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccn1 ZINC000911616219 592966110 /nfs/dbraw/zinc/96/61/10/592966110.db2.gz KTZXGTSIQZVLIT-YVEFUNNKSA-N 0 2 328.372 1.347 20 0 EDADLN C[C@@](CC(=O)[O-])(NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccn1 ZINC000911625609 592967915 /nfs/dbraw/zinc/96/79/15/592967915.db2.gz TUWKGVCGAQNKPY-SFHVURJKSA-N 0 2 342.399 1.663 20 0 EDADLN CC(C)(C)OCC(=O)N1CCCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000911304068 592985655 /nfs/dbraw/zinc/98/56/55/592985655.db2.gz BBSYVICMAXNWQZ-UHFFFAOYSA-N 0 2 335.404 1.634 20 0 EDADLN O=C([O-])c1ccc(N2CCCN(C(=O)COCC(F)F)CC2)[nH+]c1 ZINC000911308852 592987077 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EDADLN C[N@H+]1CCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)F)[C@H](C[NH3+])C1 ZINC000911877694 593029415 /nfs/dbraw/zinc/02/94/15/593029415.db2.gz CDWMSHBPEKUMMW-IUODEOHRSA-N 0 2 337.370 1.197 20 0 EDADLN CC(C)N1CC[NH+](CCC(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)CC1 ZINC000912029877 593050087 /nfs/dbraw/zinc/05/00/87/593050087.db2.gz CFSWCKDCUCSSAI-QGZVFWFLSA-N 0 2 338.540 1.591 20 0 EDADLN O=C(c1cc(Br)c(F)cc1O)N1CCC(CO)(CO)C1 ZINC000912550461 593105204 /nfs/dbraw/zinc/10/52/04/593105204.db2.gz UIWCNZBMPLKOJU-UHFFFAOYSA-N 0 2 348.168 1.111 20 0 EDADLN Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000738280029 593112622 /nfs/dbraw/zinc/11/26/22/593112622.db2.gz KHSNXJFJHAIACI-HNNXBMFYSA-N 0 2 347.415 1.331 20 0 EDADLN Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000738280029 593112624 /nfs/dbraw/zinc/11/26/24/593112624.db2.gz KHSNXJFJHAIACI-HNNXBMFYSA-N 0 2 347.415 1.331 20 0 EDADLN Cn1ncc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)n1 ZINC000806788852 593116470 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CC(C)C1CCN(C(=O)C(C)(C)[NH+]2CCN(C(=O)[O-])CC2)CC1 ZINC000824158830 593940605 /nfs/dbraw/zinc/94/06/05/593940605.db2.gz UOBABNCRNNYZTC-UHFFFAOYSA-N 0 2 325.453 1.955 20 0 EDADLN O=C([O-])[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)n2)C[C@H]1C(F)(F)F ZINC000821812839 593946753 /nfs/dbraw/zinc/94/67/53/593946753.db2.gz DYMCVVGFYOLAKX-CHWSQXEVSA-N 0 2 340.305 1.962 20 0 EDADLN O=C([O-])[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)n2)C[C@H]1C(F)(F)F ZINC000821812839 593946755 /nfs/dbraw/zinc/94/67/55/593946755.db2.gz DYMCVVGFYOLAKX-CHWSQXEVSA-N 0 2 340.305 1.962 20 0 EDADLN Cc1cn2cc(NC(=O)C(=O)NC3CCC(C(=O)[O-])CC3)ccc2[nH+]1 ZINC000821136273 593974969 /nfs/dbraw/zinc/97/49/69/593974969.db2.gz QECGGIXSPOCKLP-UHFFFAOYSA-N 0 2 344.371 1.341 20 0 EDADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)CC(=O)[O-] ZINC000821196882 593987849 /nfs/dbraw/zinc/98/78/49/593987849.db2.gz QKCJACFQYRUUOH-ZDUSSCGKSA-N 0 2 330.388 1.833 20 0 EDADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)CC(=O)[O-] ZINC000821196882 593987851 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C[C@H](OCc1ccccc1)C(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000739050139 602495240 /nfs/dbraw/zinc/49/52/40/602495240.db2.gz OTZGAAPAAZNJCQ-HNNXBMFYSA-N 0 2 349.431 1.346 20 0 EDADLN CCC[C@H](NC(=O)[O-])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000739316084 602517634 /nfs/dbraw/zinc/51/76/34/602517634.db2.gz UMHPCVMDNNRCGJ-KGLIPLIRSA-N 0 2 327.425 1.136 20 0 EDADLN C[C@H](CNC(=O)[O-])[N@H+](C)CC(=O)Nc1ccccc1Br ZINC000738937277 602556442 /nfs/dbraw/zinc/55/64/42/602556442.db2.gz BEQWROHBUBLOAW-SECBINFHSA-N 0 2 344.209 1.976 20 0 EDADLN C[C@H](CNC(=O)[O-])[N@@H+](C)CC(=O)Nc1ccccc1Br ZINC000738937277 602556444 /nfs/dbraw/zinc/55/64/44/602556444.db2.gz BEQWROHBUBLOAW-SECBINFHSA-N 0 2 344.209 1.976 20 0 EDADLN C[C@H]([C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[O-])[NH+]1CCOCC1 ZINC000738952129 602577522 /nfs/dbraw/zinc/57/75/22/602577522.db2.gz KXXWZNSGPJPZPV-SQWLQELKSA-N 0 2 349.431 1.091 20 0 EDADLN C[C@@H]1CCC[C@@H](NC(=O)N(C)CC[NH+]2CCN(C(=O)[O-])CC2)C1 ZINC000739087658 602618646 /nfs/dbraw/zinc/61/86/46/602618646.db2.gz CBNIBFXOPHYVBK-ZIAGYGMSSA-N 0 2 326.441 1.502 20 0 EDADLN C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000739158798 602714420 /nfs/dbraw/zinc/71/44/20/602714420.db2.gz VDYNUFKASNMPGV-CYBMUJFWSA-N 0 2 328.372 1.756 20 0 EDADLN C[C@@H]1C[N@H+](CC(=O)Nc2cc(C(C)(C)C)no2)CC[C@@H]1NC(=O)[O-] ZINC000739182716 602768915 /nfs/dbraw/zinc/76/89/15/602768915.db2.gz YASUJGAGMRRQQR-MNOVXSKESA-N 0 2 338.408 1.889 20 0 EDADLN C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(C)(C)C)no2)CC[C@@H]1NC(=O)[O-] ZINC000739182716 602768918 /nfs/dbraw/zinc/76/89/18/602768918.db2.gz YASUJGAGMRRQQR-MNOVXSKESA-N 0 2 338.408 1.889 20 0 EDADLN C[C@@H]1C[N@H+](CC(=O)Nc2cc(C(C)(C)C)no2)CC[C@H]1NC(=O)[O-] ZINC000739182714 602769174 /nfs/dbraw/zinc/76/91/74/602769174.db2.gz YASUJGAGMRRQQR-GHMZBOCLSA-N 0 2 338.408 1.889 20 0 EDADLN C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(C)(C)C)no2)CC[C@H]1NC(=O)[O-] ZINC000739182714 602769178 /nfs/dbraw/zinc/76/91/78/602769178.db2.gz YASUJGAGMRRQQR-GHMZBOCLSA-N 0 2 338.408 1.889 20 0 EDADLN CC(C)[C@@H](CNc1nc(NCCO)c2ccccc2[nH+]1)NC(=O)[O-] ZINC000738789898 602781926 /nfs/dbraw/zinc/78/19/26/602781926.db2.gz PKHFUDDLWUNUFV-CYBMUJFWSA-N 0 2 333.392 1.738 20 0 EDADLN CC(C)(C(=O)Nc1ccc2[nH+]ccn2c1)N1CCN(C(=O)[O-])CC1 ZINC000738661320 602806365 /nfs/dbraw/zinc/80/63/65/602806365.db2.gz HOLBUEAPNPRGSW-UHFFFAOYSA-N 0 2 331.376 1.347 20 0 EDADLN CC(C)(C(=O)N[C@H]1C[C@H]1c1ccccc1)[NH+]1CCN(C(=O)[O-])CC1 ZINC000738650136 603171976 /nfs/dbraw/zinc/17/19/76/603171976.db2.gz RGYTUGPYTFWLPF-GJZGRUSLSA-N 0 2 331.416 1.733 20 0 EDADLN C[C@H]1C[N@H+](CC(=O)Nc2ccnn2C2CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739181210 603414606 /nfs/dbraw/zinc/41/46/06/603414606.db2.gz REVJHRIZMRVTSS-JSGCOSHPSA-N 0 2 349.435 1.915 20 0 EDADLN C[C@H]1C[N@@H+](CC(=O)Nc2ccnn2C2CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739181210 603414608 /nfs/dbraw/zinc/41/46/08/603414608.db2.gz REVJHRIZMRVTSS-JSGCOSHPSA-N 0 2 349.435 1.915 20 0 EDADLN C[C@@]12CN(C(=O)CC3CC3)C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C2 ZINC000993004544 695508426 /nfs/dbraw/zinc/50/84/26/695508426.db2.gz ROHUFGQAXCKBAO-OSMZGAPFSA-N 0 2 336.329 1.994 20 0 EDADLN C[C@@]12CN(C(=O)CC3CC3)C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC000993004544 695508427 /nfs/dbraw/zinc/50/84/27/695508427.db2.gz ROHUFGQAXCKBAO-OSMZGAPFSA-N 0 2 336.329 1.994 20 0 EDADLN CCc1ccc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C)s1 ZINC000993557193 696241229 /nfs/dbraw/zinc/24/12/29/696241229.db2.gz NRPDVZSBKOTPOM-PWSUYJOCSA-N 0 2 349.460 1.917 20 0 EDADLN O=C(NC1CN(Cc2n[nH]c(=O)[nH]2)C1)[C@H]1CCCCc2ccccc21 ZINC001031451491 697134096 /nfs/dbraw/zinc/13/40/96/697134096.db2.gz HDPAFUZEIMVWLA-HNNXBMFYSA-N 0 2 341.415 1.321 20 0 EDADLN CN(C(=O)c1ccnnc1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000938646828 698407190 /nfs/dbraw/zinc/40/71/90/698407190.db2.gz MAUXJRXSAQMMQJ-NXEZZACHSA-N 0 2 334.273 1.050 20 0 EDADLN CN(C(=O)c1ccnnc1)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000938646828 698407194 /nfs/dbraw/zinc/40/71/94/698407194.db2.gz MAUXJRXSAQMMQJ-NXEZZACHSA-N 0 2 334.273 1.050 20 0 EDADLN Cc1ncccc1C(=O)N(C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000938647392 698408820 /nfs/dbraw/zinc/40/88/20/698408820.db2.gz WPKWUZJCJNGQER-CMPLNLGQSA-N 0 2 347.312 1.963 20 0 EDADLN Cc1ncccc1C(=O)N(C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000938647392 698408823 /nfs/dbraw/zinc/40/88/23/698408823.db2.gz WPKWUZJCJNGQER-CMPLNLGQSA-N 0 2 347.312 1.963 20 0 EDADLN Cc1ncoc1C(=O)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000940631470 700793291 /nfs/dbraw/zinc/79/32/91/700793291.db2.gz WEEPULFDHAMVNE-SNVBAGLBSA-N 0 2 337.273 1.558 20 0 EDADLN Cc1ncoc1C(=O)N1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000940631470 700793292 /nfs/dbraw/zinc/79/32/92/700793292.db2.gz WEEPULFDHAMVNE-SNVBAGLBSA-N 0 2 337.273 1.558 20 0 EDADLN CO[C@H](C(=O)N1CCCN(C(=O)C(F)C(F)(F)F)CC1)C1CC1 ZINC000940905239 700978741 /nfs/dbraw/zinc/97/87/41/700978741.db2.gz QYHYVKCBASNZNA-QWRGUYRKSA-N 0 2 340.317 1.373 20 0 EDADLN CO[C@H](C(=O)N1CCCN(C(=O)[C@H](F)C(F)(F)F)CC1)C1CC1 ZINC000940905239 700978743 /nfs/dbraw/zinc/97/87/43/700978743.db2.gz QYHYVKCBASNZNA-QWRGUYRKSA-N 0 2 340.317 1.373 20 0 EDADLN CO[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1NC(=O)c1ccco1 ZINC000941047712 701082850 /nfs/dbraw/zinc/08/28/50/701082850.db2.gz QBWGHDXRPIHQEP-SZEHBUNVSA-N 0 2 338.257 1.136 20 0 EDADLN CO[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1NC(=O)c1ccco1 ZINC000941047712 701082853 /nfs/dbraw/zinc/08/28/53/701082853.db2.gz QBWGHDXRPIHQEP-SZEHBUNVSA-N 0 2 338.257 1.136 20 0 EDADLN COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)CC2(C)C)o1 ZINC000941123964 701181793 /nfs/dbraw/zinc/18/17/93/701181793.db2.gz MJXWFBHCRFFHIU-NSHDSACASA-N 0 2 349.391 1.142 20 0 EDADLN COc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)CC2(C)C)o1 ZINC000941123964 701181796 /nfs/dbraw/zinc/18/17/96/701181796.db2.gz MJXWFBHCRFFHIU-NSHDSACASA-N 0 2 349.391 1.142 20 0 EDADLN Cc1cnoc1C(=O)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000941291137 701449881 /nfs/dbraw/zinc/44/98/81/701449881.db2.gz VGISLMUYIIPOBW-SNVBAGLBSA-N 0 2 337.273 1.558 20 0 EDADLN Cc1cnoc1C(=O)N1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000941291137 701449882 /nfs/dbraw/zinc/44/98/82/701449882.db2.gz VGISLMUYIIPOBW-SNVBAGLBSA-N 0 2 337.273 1.558 20 0 EDADLN O=C(NCC1CN(Cc2n[nH]c(=O)[nH]2)C1)c1cccc(Cl)c1F ZINC001031945960 701490643 /nfs/dbraw/zinc/49/06/43/701490643.db2.gz DMJWOIXGVUOWKT-UHFFFAOYSA-N 0 2 339.758 1.165 20 0 EDADLN CCc1ccc(CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[nH]2)cc1 ZINC001032655374 706613092 /nfs/dbraw/zinc/61/30/92/706613092.db2.gz VZGMRKIWTQETCC-GJZGRUSLSA-N 0 2 341.415 1.101 20 0 EDADLN CCC(CC)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cc(=O)n2[nH]ccc2n1 ZINC001032288854 701847568 /nfs/dbraw/zinc/84/75/68/701847568.db2.gz IRFVWZIUJKONTO-GJZGRUSLSA-N 0 2 343.431 1.244 20 0 EDADLN C[C@H](c1cnccn1)[NH+]1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032132072 701859902 /nfs/dbraw/zinc/85/99/02/701859902.db2.gz HIOKQDQOYOCTGY-CYBMUJFWSA-N 0 2 340.431 1.360 20 0 EDADLN O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[nH]1 ZINC001032669656 706672738 /nfs/dbraw/zinc/67/27/38/706672738.db2.gz USSNQGCNBOPVDD-XQLPTFJDSA-N 0 2 339.399 1.099 20 0 EDADLN CCc1noc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)n1 ZINC000996301175 702692972 /nfs/dbraw/zinc/69/29/72/702692972.db2.gz RCRDMUOIPDDENR-ZIAGYGMSSA-N 0 2 349.479 1.443 20 0 EDADLN C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOc1ccccc1 ZINC001032315307 702968779 /nfs/dbraw/zinc/96/87/79/702968779.db2.gz ICYZZTDEEXMUIY-BQFCYCMXSA-N 0 2 329.444 1.445 20 0 EDADLN COc1cc(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@@H+]2C)ccc1C ZINC001032315746 702980421 /nfs/dbraw/zinc/98/04/21/702980421.db2.gz WUSUWECAUGRUIB-BZSNNMDCSA-N 0 2 343.471 1.883 20 0 EDADLN CCOc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[nH]3)C2)ccc1C ZINC001032024028 703030048 /nfs/dbraw/zinc/03/00/48/703030048.db2.gz UJPVRDNUIANYPJ-UHFFFAOYSA-N 0 2 345.403 1.079 20 0 EDADLN O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2nccn2C(F)F)CC1 ZINC000997056393 703301996 /nfs/dbraw/zinc/30/19/96/703301996.db2.gz XQLGJKWIZZTUGW-UHFFFAOYSA-N 0 2 338.362 1.325 20 0 EDADLN CNc1ncc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)s1 ZINC000184499559 703310218 /nfs/dbraw/zinc/31/02/18/703310218.db2.gz UDNWFOCJIOBPGX-UHFFFAOYSA-N 0 2 344.400 1.812 20 0 EDADLN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[nH]1 ZINC001032412056 703459554 /nfs/dbraw/zinc/45/95/54/703459554.db2.gz GIJDWEVKTSERSS-ZDEQEGDKSA-N 0 2 333.436 1.368 20 0 EDADLN CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001032417286 703499084 /nfs/dbraw/zinc/49/90/84/703499084.db2.gz VJZQYWDLZGERSV-ZQIUZPCESA-N 0 2 331.464 1.875 20 0 EDADLN CCc1cc(NC[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C2)nc(C)[nH+]1 ZINC001060859051 703761851 /nfs/dbraw/zinc/76/18/51/703761851.db2.gz POJMKMKRBWSBPS-LBPRGKRZSA-N 0 2 344.419 1.659 20 0 EDADLN COc1c(C)cnc(CNC(=O)NNC(=O)c2ccc(C)o2)c1C ZINC000084155730 703907594 /nfs/dbraw/zinc/90/75/94/703907594.db2.gz WJGZSWHWHPNPLB-UHFFFAOYSA-N 0 2 332.360 1.753 20 0 EDADLN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(F)C(F)(F)F)c1cccnc1 ZINC000995624699 704583898 /nfs/dbraw/zinc/58/38/98/704583898.db2.gz OISYUXSHFFUTIJ-RHYQMDGZSA-N 0 2 345.296 1.844 20 0 EDADLN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](F)C(F)(F)F)c1cccnc1 ZINC000995624699 704583900 /nfs/dbraw/zinc/58/39/00/704583900.db2.gz OISYUXSHFFUTIJ-RHYQMDGZSA-N 0 2 345.296 1.844 20 0 EDADLN O=C(c1cocn1)N1CC2(C1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC000944954613 704805269 /nfs/dbraw/zinc/80/52/69/704805269.db2.gz SARNCGMRLGWZRA-SNVBAGLBSA-N 0 2 349.284 1.640 20 0 EDADLN O=C(c1cocn1)N1CC2(C1)CCN(C(=O)[C@@H](F)C(F)(F)F)CC2 ZINC000944954613 704805273 /nfs/dbraw/zinc/80/52/73/704805273.db2.gz SARNCGMRLGWZRA-SNVBAGLBSA-N 0 2 349.284 1.640 20 0 EDADLN O=C(C1CCC1)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)c2sccc2[nH]1 ZINC001032244210 705343956 /nfs/dbraw/zinc/34/39/56/705343956.db2.gz RIXKHJUIWLHPHP-RYUDHWBXSA-N 0 2 344.440 1.982 20 0 EDADLN CN(C(=O)C1CCCCCCC1)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001033253025 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CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccnn1C1CCCC1 ZINC000578113121 448461829 /nfs/dbraw/zinc/46/18/29/448461829.db2.gz SGBUNNNBXTVSNQ-OAHLLOKOSA-N 0 2 340.493 1.902 20 0 EDADLN CS(=O)(=O)NC[C@H]1CCCCN1Cc1ccnn1C1CCCC1 ZINC000578113121 448461834 /nfs/dbraw/zinc/46/18/34/448461834.db2.gz SGBUNNNBXTVSNQ-OAHLLOKOSA-N 0 2 340.493 1.902 20 0 EDADLN COc1cccc(S([O-])=CC(=O)N[C@H]2CCc3c[nH+]cn3C2)c1 ZINC000591780154 448490402 /nfs/dbraw/zinc/49/04/02/448490402.db2.gz XVVYYMKOZYUXJU-MYODQAERSA-N 0 2 333.413 1.131 20 0 EDADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3CO[C@H](C)C3)s[nH]2)c1 ZINC000578528911 448572396 /nfs/dbraw/zinc/57/23/96/448572396.db2.gz YHSZDNNXYNROPI-KOLCDFICSA-N 0 2 334.401 1.935 20 0 EDADLN O=C(CSCc1cscn1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000584723659 448610719 /nfs/dbraw/zinc/61/07/19/448610719.db2.gz SINRXEUVWCZTIZ-VIFPVBQESA-N 0 2 339.446 1.606 20 0 EDADLN COc1cccc(S(O)=CC(=O)N2CCc3cc[nH]c(=O)c3C2)c1 ZINC000573480540 448639472 /nfs/dbraw/zinc/63/94/72/448639472.db2.gz 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CCC[N@H+](CC(=O)[O-])CC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000568518412 448883814 /nfs/dbraw/zinc/88/38/14/448883814.db2.gz BZXPBFUTWWXGAG-UHFFFAOYSA-N 0 2 342.417 1.968 20 0 EDADLN CCC[N@@H+](CC(=O)[O-])CC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000568518412 448883817 /nfs/dbraw/zinc/88/38/17/448883817.db2.gz BZXPBFUTWWXGAG-UHFFFAOYSA-N 0 2 342.417 1.968 20 0 EDADLN CC1(c2nc(=NC(=O)Cn3cc(Br)cn3)s[nH]2)CC1 ZINC000529703586 448931064 /nfs/dbraw/zinc/93/10/64/448931064.db2.gz JLRJDHDDHGRRPT-UHFFFAOYSA-N 0 2 342.222 1.609 20 0 EDADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC[C@@H](O)[C@H]2CCCO2)=N1 ZINC000529772536 448958471 /nfs/dbraw/zinc/95/84/71/448958471.db2.gz UMTPYIGEWOFAJD-UKRRQHHQSA-N 0 2 349.362 1.295 20 0 EDADLN O=C(CSc1n[nH]c(=O)[nH]1)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000548005641 448963242 /nfs/dbraw/zinc/96/32/42/448963242.db2.gz ORWCHWRWWBJJAT-DGCLKSJQSA-N 0 2 334.401 1.496 20 0 EDADLN COc1cccc(OCCC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000574880305 448978813 /nfs/dbraw/zinc/97/88/13/448978813.db2.gz 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ZINC000863947816 596724145 /nfs/dbraw/zinc/72/41/45/596724145.db2.gz FYNSWGQESGNIQA-NSHDSACASA-N 0 2 345.384 1.010 20 0 EDADLN C[NH+](C)[C@@]1(CNC(=O)Cc2cn3cc(F)ccc3[nH+]2)CCSC1 ZINC000866333185 596860182 /nfs/dbraw/zinc/86/01/82/596860182.db2.gz HJIPQTPJSGREOG-MRXNPFEDSA-N 0 2 336.436 1.569 20 0 EDADLN N=C1NC(=O)[C@H](CC(=O)N2CCC(=O)C[C@@H]2c2ccccc2)S1 ZINC000868502567 596863683 /nfs/dbraw/zinc/86/36/83/596863683.db2.gz YTPPUBBSTVXBLA-OLZOCXBDSA-N 0 2 331.397 1.476 20 0 EDADLN CC(C)(C)OC(=O)N1CCN(CC(=O)NOCCC2CC2)CC1 ZINC000868553211 596881873 /nfs/dbraw/zinc/88/18/73/596881873.db2.gz COTXHKPZLFUWBR-UHFFFAOYSA-N 0 2 327.425 1.387 20 0 EDADLN Cc1cc(NS(=O)(=O)N=[S@](C)(=O)c2ccccc2)nn1C ZINC000872358692 596895182 /nfs/dbraw/zinc/89/51/82/596895182.db2.gz ZEVXJFHYZNGLSI-HXUWFJFHSA-N 0 2 328.419 1.542 20 0 EDADLN CCS(=O)(CC)=NS(=O)(=O)Nc1cn(C)nc1C(F)(F)F ZINC000872362500 596895419 /nfs/dbraw/zinc/89/54/19/596895419.db2.gz TYALBDNDTAUDJE-UHFFFAOYSA-N 0 2 348.372 1.603 20 0 EDADLN C[S@@](=O)(=NS(=O)(=O)Nc1ccn(CCF)n1)c1ccccc1 ZINC000872406743 596898977 /nfs/dbraw/zinc/89/89/77/596898977.db2.gz SITPOTVDRQHQHC-NRFANRHFSA-N 0 2 346.409 1.666 20 0 EDADLN Cc1cc(S(=O)(=O)Nc2cc3n(n2)CCN(C)C3)cc(C)c1F ZINC000872411356 596900101 /nfs/dbraw/zinc/90/01/01/596900101.db2.gz DRPFCGMQEOZXDK-UHFFFAOYSA-N 0 2 338.408 1.885 20 0 EDADLN CCOC(=O)c1cc(F)ccc1NS(=O)(=O)c1cnc(C)n1C ZINC000872420345 596902316 /nfs/dbraw/zinc/90/23/16/596902316.db2.gz OBBGVZMCOAZGAX-UHFFFAOYSA-N 0 2 341.364 1.845 20 0 EDADLN CO[C@@H](CNS(=O)(=O)N=[S@](C)(=O)C(C)(C)C)C(F)(F)F ZINC000872448546 596912097 /nfs/dbraw/zinc/91/20/97/596912097.db2.gz FVHRLCAAFAGKDG-ZDVLTJLQSA-N 0 2 340.389 1.294 20 0 EDADLN CO[C@H](CNS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C(F)(F)F ZINC000872448545 596912305 /nfs/dbraw/zinc/91/23/05/596912305.db2.gz FVHRLCAAFAGKDG-XJZHNMMOSA-N 0 2 340.389 1.294 20 0 EDADLN CC[C@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)C(OC)OC ZINC000872503762 596939922 /nfs/dbraw/zinc/93/99/22/596939922.db2.gz TYINUFXUKQSBEW-UGZDLDLSSA-N 0 2 330.472 1.115 20 0 EDADLN C[C@@H]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C[C@H]1C(=O)[O-] ZINC000874418317 597068929 /nfs/dbraw/zinc/06/89/29/597068929.db2.gz BFKJMIZOJACZSW-WQVCFCJDSA-N 0 2 331.416 1.925 20 0 EDADLN C[C@@H]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C[C@H]1C(=O)[O-] ZINC000874418317 597068932 /nfs/dbraw/zinc/06/89/32/597068932.db2.gz BFKJMIZOJACZSW-WQVCFCJDSA-N 0 2 331.416 1.925 20 0 EDADLN Cc1nc2cc[nH]n2c(=O)c1CC(=O)OC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873357909 597265482 /nfs/dbraw/zinc/26/54/82/597265482.db2.gz PFDSINJHOBRCNM-SGMGOOAPSA-N 0 2 331.372 1.374 20 0 EDADLN CC[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000875072830 597270637 /nfs/dbraw/zinc/27/06/37/597270637.db2.gz CGHXJFNOKPOQAZ-CVEARBPZSA-N 0 2 326.485 1.128 20 0 EDADLN CNC(=O)NC[C@H]1CCCCN1Cc1nc(=O)c2sccc2[nH]1 ZINC000879334585 597890201 /nfs/dbraw/zinc/89/02/01/597890201.db2.gz FAHMNRJIGDDVQG-SNVBAGLBSA-N 0 2 335.433 1.680 20 0 EDADLN CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000879334585 597890205 /nfs/dbraw/zinc/89/02/05/597890205.db2.gz FAHMNRJIGDDVQG-SNVBAGLBSA-N 0 2 335.433 1.680 20 0 EDADLN CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(=O)c2sccc2[n-]1 ZINC000879334585 597890209 /nfs/dbraw/zinc/89/02/09/597890209.db2.gz FAHMNRJIGDDVQG-SNVBAGLBSA-N 0 2 335.433 1.680 20 0 EDADLN NC(=O)CONC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000879379771 597904984 /nfs/dbraw/zinc/90/49/84/597904984.db2.gz FIBGSVSGWNMPNX-UHFFFAOYSA-N 0 2 341.205 1.794 20 0 EDADLN O=C(NCCCO)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000880449265 597936928 /nfs/dbraw/zinc/93/69/28/597936928.db2.gz WBSNYKPQAPMECA-UHFFFAOYSA-N 0 2 337.273 1.508 20 0 EDADLN CCc1nn(C)cc1S(=O)(=O)Nc1ccc(CC(=O)OC)cc1 ZINC000882669772 598017707 /nfs/dbraw/zinc/01/77/07/598017707.db2.gz QUFPXSADQRQBHU-UHFFFAOYSA-N 0 2 337.401 1.499 20 0 EDADLN CCc1nn(C)cc1S(=O)(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000882674892 598019116 /nfs/dbraw/zinc/01/91/16/598019116.db2.gz SAKQUVJRIFELHJ-UHFFFAOYSA-N 0 2 346.416 1.423 20 0 EDADLN COc1ccc2c(c1NS(=O)(=O)N=[S@@](C)(=O)N(C)C)CCC2 ZINC000882718200 598032583 /nfs/dbraw/zinc/03/25/83/598032583.db2.gz XYMYXLYKILTUBK-OAQYLSRUSA-N 0 2 347.462 1.415 20 0 EDADLN CCn1c(=O)c2ccc(C(=O)N[C@H](C)CCOC)cc2[nH]c1=S ZINC000128999017 598139883 /nfs/dbraw/zinc/13/98/83/598139883.db2.gz XGYFGSUFIIFWFA-SNVBAGLBSA-N 0 2 335.429 1.860 20 0 EDADLN O=C([O-])[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(Br)cc1 ZINC000739305973 599789508 /nfs/dbraw/zinc/78/95/08/599789508.db2.gz CDVPWJHDEMVNPV-ZDUSSCGKSA-N 0 2 341.205 1.691 20 0 EDADLN O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)NC1(C(=O)[O-])CCCCC1 ZINC000739286346 600447685 /nfs/dbraw/zinc/44/76/85/600447685.db2.gz UQYXUEJCRJIJNM-CQSZACIVSA-N 0 2 334.420 1.840 20 0 EDADLN O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)NC1(C(=O)[O-])CCCCC1 ZINC000739286346 600447686 /nfs/dbraw/zinc/44/76/86/600447686.db2.gz UQYXUEJCRJIJNM-CQSZACIVSA-N 0 2 334.420 1.840 20 0 EDADLN O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)NC1(C(=O)[O-])CCCCC1 ZINC000739286343 600447979 /nfs/dbraw/zinc/44/79/79/600447979.db2.gz UQYXUEJCRJIJNM-AWEZNQCLSA-N 0 2 334.420 1.840 20 0 EDADLN O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)NC1(C(=O)[O-])CCCCC1 ZINC000739286343 600447982 /nfs/dbraw/zinc/44/79/82/600447982.db2.gz UQYXUEJCRJIJNM-AWEZNQCLSA-N 0 2 334.420 1.840 20 0 EDADLN Cc1nc2c(c(=O)n(C[N@H+]3CC[C@H](C)C3)n2C)c(C)c1CCC(=O)[O-] ZINC000738872935 600553499 /nfs/dbraw/zinc/55/34/99/600553499.db2.gz WNZIBCURNAUVIN-NSHDSACASA-N 0 2 346.431 1.668 20 0 EDADLN Cc1nc2c(c(=O)n(C[N@@H+]3CC[C@H](C)C3)n2C)c(C)c1CCC(=O)[O-] ZINC000738872935 600553500 /nfs/dbraw/zinc/55/35/00/600553500.db2.gz WNZIBCURNAUVIN-NSHDSACASA-N 0 2 346.431 1.668 20 0 EDADLN O=C([O-])COc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000327575891 601108323 /nfs/dbraw/zinc/10/83/23/601108323.db2.gz BUBIZTXAGAYWAD-CQSZACIVSA-N 0 2 349.387 1.088 20 0 EDADLN O=C([O-])NCc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000739988208 601108687 /nfs/dbraw/zinc/10/86/87/601108687.db2.gz KQDQFHORPWOYLY-HNNXBMFYSA-N 0 2 348.403 1.393 20 0 EDADLN C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@@H](CNC(=O)[O-])C2)C1 ZINC000739113027 602253218 /nfs/dbraw/zinc/25/32/18/602253218.db2.gz HSGAGLXEQAKYFO-NEPJUHHUSA-N 0 2 339.461 1.972 20 0 EDADLN C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@@H](CNC(=O)[O-])C2)C1 ZINC000739113027 602253222 /nfs/dbraw/zinc/25/32/22/602253222.db2.gz HSGAGLXEQAKYFO-NEPJUHHUSA-N 0 2 339.461 1.972 20 0 EDADLN C[C@@H]1C[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)CCN1C(=O)[O-] ZINC000739184297 603363643 /nfs/dbraw/zinc/36/36/43/603363643.db2.gz JVCOVPSMJTXJFV-SNVBAGLBSA-N 0 2 336.779 1.532 20 0 EDADLN C[C@@H]1C[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)CCN1C(=O)[O-] ZINC000739184297 603363646 /nfs/dbraw/zinc/36/36/46/603363646.db2.gz JVCOVPSMJTXJFV-SNVBAGLBSA-N 0 2 336.779 1.532 20 0 EDADLN CCO[C@@H]1C[C@H]([N@H+](C)Cn2nc(C(=O)[O-])cc2C(=O)OC)C1(C)C ZINC000833660828 605123226 /nfs/dbraw/zinc/12/32/26/605123226.db2.gz QWFCMPDGQPPWHH-QWHCGFSZSA-N 0 2 339.392 1.461 20 0 EDADLN CCO[C@@H]1C[C@H]([N@@H+](C)Cn2nc(C(=O)[O-])cc2C(=O)OC)C1(C)C ZINC000833660828 605123230 /nfs/dbraw/zinc/12/32/30/605123230.db2.gz QWFCMPDGQPPWHH-QWHCGFSZSA-N 0 2 339.392 1.461 20 0 EDADLN C=CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000089287304 695257102 /nfs/dbraw/zinc/25/71/02/695257102.db2.gz SZZVOCCZOSLSQT-UHFFFAOYSA-N 0 2 336.329 1.601 20 0 EDADLN CC(=O)OC1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000152853722 695385852 /nfs/dbraw/zinc/38/58/52/695385852.db2.gz LHKKESLYROORSJ-UHFFFAOYSA-N 0 2 329.356 1.746 20 0 EDADLN O=C1OCc2ccc(S(=O)(=O)Nc3cnn(CC4CC4)c3)cc21 ZINC000174769031 695489126 /nfs/dbraw/zinc/48/91/26/695489126.db2.gz YSRYTKKSZWFJOK-UHFFFAOYSA-N 0 2 333.369 1.764 20 0 EDADLN CCc1cccc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C)n1 ZINC000993445103 696147405 /nfs/dbraw/zinc/14/74/05/696147405.db2.gz REJCOFJXHSPUST-DGCLKSJQSA-N 0 2 344.419 1.251 20 0 EDADLN Cc1cc(C)c(C(=O)N[C@H]2CCC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@H]2C)[nH]1 ZINC000993480375 696188187 /nfs/dbraw/zinc/18/81/87/696188187.db2.gz CYIDAFXHVXYQEV-RYUDHWBXSA-N 0 2 332.408 1.238 20 0 EDADLN Cc1cc(C)c(C(=O)N[C@H]2CCC[N@@H+](Cc3n[nH]c(=O)[n-]3)[C@H]2C)[nH]1 ZINC000993480375 696188189 /nfs/dbraw/zinc/18/81/89/696188189.db2.gz CYIDAFXHVXYQEV-RYUDHWBXSA-N 0 2 332.408 1.238 20 0 EDADLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1CNC(=O)c1ccccn1 ZINC000993681568 696306744 /nfs/dbraw/zinc/30/67/44/696306744.db2.gz FFEXDGQDEVQPJF-CKYFFXLPSA-N 0 2 347.312 1.806 20 0 EDADLN C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1CNC(=O)c1ccccn1 ZINC000993681568 696306746 /nfs/dbraw/zinc/30/67/46/696306746.db2.gz FFEXDGQDEVQPJF-CKYFFXLPSA-N 0 2 347.312 1.806 20 0 EDADLN CC(C)c1cc(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2C)[nH]n1 ZINC000993819250 696390713 /nfs/dbraw/zinc/39/07/13/696390713.db2.gz GNMBUBMWZPMFFR-QWRGUYRKSA-N 0 2 347.423 1.140 20 0 EDADLN C[C@H]1[C@H](NC(=O)c2c[nH]cc2C2CC2)CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000994141807 696558884 /nfs/dbraw/zinc/55/88/84/696558884.db2.gz ZWXXTXKRWFLLIX-IINYFYTJSA-N 0 2 344.419 1.499 20 0 EDADLN 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337.508 1.822 20 0 EDADLN COc1cc2c(cc1OC)C[N@H+](Cc1cc(C(=O)[O-])nn1C)CC2 ZINC000635300117 450827365 /nfs/dbraw/zinc/82/73/65/450827365.db2.gz KAQUYLKRCUHAEE-UHFFFAOYSA-N 0 2 331.372 1.694 20 0 EDADLN COc1cc2c(cc1OC)C[N@@H+](Cc1cc(C(=O)[O-])nn1C)CC2 ZINC000635300117 450827367 /nfs/dbraw/zinc/82/73/67/450827367.db2.gz KAQUYLKRCUHAEE-UHFFFAOYSA-N 0 2 331.372 1.694 20 0 EDADLN CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000629890440 450860134 /nfs/dbraw/zinc/86/01/34/450860134.db2.gz KVQCYHQRSYBMSN-SECBINFHSA-N 0 2 348.371 1.072 20 0 EDADLN C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[C@H]1C(=O)[O-] ZINC000626758221 450885233 /nfs/dbraw/zinc/88/52/33/450885233.db2.gz NEXWLGQOQZSMNM-MGPQQGTHSA-N 0 2 332.404 1.413 20 0 EDADLN Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H](C(=O)[O-])[C@H](C)C3)cn21 ZINC000626760163 450886529 /nfs/dbraw/zinc/88/65/29/450886529.db2.gz XSPJLJXTYUPEEB-RISCZKNCSA-N 0 2 330.388 1.895 20 0 EDADLN C[C@@H]1CCCN(Cc2csc(NC(=O)CCCc3nn[nH]n3)n2)C1 ZINC000635408822 450915322 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CC[C@@H](CNC(=O)C(=O)N=c1ncn(C(C)C)[nH]1)c1ccccc1 ZINC000651496610 451868259 /nfs/dbraw/zinc/86/82/59/451868259.db2.gz FMYZACGPCSTHTB-ZDUSSCGKSA-N 0 2 329.404 1.529 20 0 EDADLN CC(C)n1cnc(=NC(=O)C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)[nH]1 ZINC000651520227 451886501 /nfs/dbraw/zinc/88/65/01/451886501.db2.gz SHYDCXUGDZQQOZ-CMPLNLGQSA-N 0 2 331.376 1.252 20 0 EDADLN Cc1cccnc1[C@@H](NC(=O)C(=O)N=c1ncn(C(C)C)[nH]1)C(C)C ZINC000651570952 451924303 /nfs/dbraw/zinc/92/43/03/451924303.db2.gz UKZQCKXPOASFSB-ZDUSSCGKSA-N 0 2 344.419 1.436 20 0 EDADLN C[C@@H]1C(=O)N[C@@H](C)[C@H](C)N1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000639637306 451989634 /nfs/dbraw/zinc/98/96/34/451989634.db2.gz CJUWRRTWXLLZLU-XHNCKOQMSA-N 0 2 325.438 1.387 20 0 EDADLN O=C(CC[N@H+]1CCOC[C@H]1C(=O)[O-])N[C@@H]1CCCc2ccccc21 ZINC000643054337 452026823 /nfs/dbraw/zinc/02/68/23/452026823.db2.gz LHRSHUWSDZQBJJ-CVEARBPZSA-N 0 2 332.400 1.356 20 0 EDADLN O=C(CC[N@@H+]1CCOC[C@H]1C(=O)[O-])N[C@@H]1CCCc2ccccc21 ZINC000643054337 452026831 /nfs/dbraw/zinc/02/68/31/452026831.db2.gz LHRSHUWSDZQBJJ-CVEARBPZSA-N 0 2 332.400 1.356 20 0 EDADLN CC(C)n1cnc(=NC(=O)C(=O)N2Cc3ccccc3OC[C@@H]2C)[nH]1 ZINC000651738043 452046023 /nfs/dbraw/zinc/04/60/23/452046023.db2.gz ZCZYQSQCXZCEON-LBPRGKRZSA-N 0 2 343.387 1.029 20 0 EDADLN Cc1ccc([C@H](CNc2ccc(C(=O)[O-])nn2)[NH+]2CCOCC2)cc1 ZINC000649386726 452058007 /nfs/dbraw/zinc/05/80/07/452058007.db2.gz ZUDQTYDXZFJSKK-INIZCTEOSA-N 0 2 342.399 1.391 20 0 EDADLN Cc1cc2cc(CNC(=O)C(=O)N=c3ncn(C(C)C)[nH]3)ccc2[nH]1 ZINC000651799640 452085718 /nfs/dbraw/zinc/08/57/18/452085718.db2.gz DWSHUWYGVNAOBB-UHFFFAOYSA-N 0 2 340.387 1.326 20 0 EDADLN O=S1(=O)CC[C@@H](N=c2nc(-c3cc(F)cc(F)c3)[nH]s2)C1 ZINC000645100557 452151866 /nfs/dbraw/zinc/15/18/66/452151866.db2.gz OIMPQEZEZWPUIH-SNVBAGLBSA-N 0 2 331.369 1.504 20 0 EDADLN CCc1nc(NS(=O)(=O)c2coc(C(=O)N(C)C)c2C)no1 ZINC000647271551 452158054 /nfs/dbraw/zinc/15/80/54/452158054.db2.gz WIBVWHPITSCYPM-UHFFFAOYSA-N 0 2 328.350 1.036 20 0 EDADLN CN1C(=O)CC[C@H](N=c2nc(-c3cc(F)cc(F)c3)[nH]s2)C1=O ZINC000645262975 452241394 /nfs/dbraw/zinc/24/13/94/452241394.db2.gz OQSBGWBNLWKHJO-JTQLQIEISA-N 0 2 338.339 1.465 20 0 EDADLN CCC(CC)[C@@H](C(=O)NC[C@@H](C(=O)[O-])C(C)C)[NH+]1CCOCC1 ZINC000655566459 452389094 /nfs/dbraw/zinc/38/90/94/452389094.db2.gz HIQKYXCGMDWXIQ-CABCVRRESA-N 0 2 328.453 1.596 20 0 EDADLN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)no1 ZINC000650453382 452780672 /nfs/dbraw/zinc/78/06/72/452780672.db2.gz JGGIWEULJKVGNU-UHFFFAOYSA-N 0 2 328.371 1.212 20 0 EDADLN COCn1nc(C)c(S(=O)(=O)Nc2ncn(C(C)C)n2)c1C ZINC000650487398 452796333 /nfs/dbraw/zinc/79/63/33/452796333.db2.gz IPNRFOXWHLRWEM-UHFFFAOYSA-N 0 2 328.398 1.077 20 0 EDADLN C[C@@H]1C[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)CC[N@@H+]1C ZINC000664215407 452889679 /nfs/dbraw/zinc/88/96/79/452889679.db2.gz BMCCDXKYWWIKLB-HZSPNIEDSA-N 0 2 337.468 1.262 20 0 EDADLN O=C([O-])CN1CC[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1=O ZINC000662207065 452934365 /nfs/dbraw/zinc/93/43/65/452934365.db2.gz UTEDTXCHJQLTPH-CQSZACIVSA-N 0 2 337.807 1.148 20 0 EDADLN CC[N@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H](C)C(=O)[O-] ZINC000662216423 452946543 /nfs/dbraw/zinc/94/65/43/452946543.db2.gz MIHMQVPARBSHJB-MRVPVSSYSA-N 0 2 330.287 1.742 20 0 EDADLN CC[N@@H+](CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)[C@H](C)C(=O)[O-] ZINC000662216423 452946548 /nfs/dbraw/zinc/94/65/48/452946548.db2.gz MIHMQVPARBSHJB-MRVPVSSYSA-N 0 2 330.287 1.742 20 0 EDADLN C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662226006 452960907 /nfs/dbraw/zinc/96/09/07/452960907.db2.gz KULGUSIBWDBJHE-GWCFXTLKSA-N 0 2 342.403 1.265 20 0 EDADLN C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662226006 452960916 /nfs/dbraw/zinc/96/09/16/452960916.db2.gz KULGUSIBWDBJHE-GWCFXTLKSA-N 0 2 342.403 1.265 20 0 EDADLN CNC(=O)c1ccc(=NC(=O)COc2c(C)cc(C)cc2C)[nH]n1 ZINC000650814334 453016597 /nfs/dbraw/zinc/01/65/97/453016597.db2.gz LIQVSFWRMXTFNZ-UHFFFAOYSA-N 0 2 328.372 1.201 20 0 EDADLN CNC(=O)c1ccc(=NC(=O)[C@H](C)Cc2ccccc2Cl)[nH]n1 ZINC000650817688 453023382 /nfs/dbraw/zinc/02/33/82/453023382.db2.gz KNJUTFDLBFITDR-SNVBAGLBSA-N 0 2 332.791 1.729 20 0 EDADLN CCc1c(C(=O)N=c2ccc(C(=O)NC)n[nH]2)cnn1C1CCCC1 ZINC000650818754 453024883 /nfs/dbraw/zinc/02/48/83/453024883.db2.gz XBHUBCCGKFEAAK-UHFFFAOYSA-N 0 2 342.403 1.384 20 0 EDADLN Cc1cc(C)cc(CC(=O)Nc2nnc(NS(C)(=O)=O)s2)c1 ZINC000666975430 453294077 /nfs/dbraw/zinc/29/40/77/453294077.db2.gz OUJMHRCWYZDEOX-UHFFFAOYSA-N 0 2 340.430 1.708 20 0 EDADLN CCOc1ncc(C)cc1NS(=O)(=O)c1cc(C)cc(C(N)=O)c1 ZINC000656631282 453339927 /nfs/dbraw/zinc/33/99/27/453339927.db2.gz KVUZLOWACROJFO-UHFFFAOYSA-N 0 2 349.412 1.997 20 0 EDADLN CCn1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000656635000 453344792 /nfs/dbraw/zinc/34/47/92/453344792.db2.gz LKFFENWGSUOQRS-UHFFFAOYSA-N 0 2 329.403 1.107 20 0 EDADLN Cc1noc(C(F)F)c1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000648888402 453363836 /nfs/dbraw/zinc/36/38/36/453363836.db2.gz 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337.401 1.135 20 0 EDADLN COc1ccc([C@@H]([NH2+]CC(=O)NCc2ccccn2)C(=O)[O-])cc1 ZINC000737972263 578278366 /nfs/dbraw/zinc/27/83/66/578278366.db2.gz NIRBXVFLLDFRQO-MRXNPFEDSA-N 0 2 329.356 1.122 20 0 EDADLN CCN(CC(=O)N1CCC[N@H+](Cc2cscn2)CC1)C(=O)[O-] ZINC000739390313 578280337 /nfs/dbraw/zinc/28/03/37/578280337.db2.gz MFTFCDSXSPDNMI-UHFFFAOYSA-N 0 2 326.422 1.177 20 0 EDADLN CCN(CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1)C(=O)[O-] ZINC000739390313 578280338 /nfs/dbraw/zinc/28/03/38/578280338.db2.gz MFTFCDSXSPDNMI-UHFFFAOYSA-N 0 2 326.422 1.177 20 0 EDADLN COc1ccc(CNC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000738002453 578288652 /nfs/dbraw/zinc/28/86/52/578288652.db2.gz UJKGGOGWMAETDU-QGZVFWFLSA-N 0 2 328.368 1.727 20 0 EDADLN CO[C@H]1CCC[N@H+](Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1 ZINC000737734014 578315202 /nfs/dbraw/zinc/31/52/02/578315202.db2.gz NPPXJGCYPVLQGU-VIFPVBQESA-N 0 2 337.401 1.602 20 0 EDADLN CO[C@H]1CCC[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1 ZINC000737734014 578315203 /nfs/dbraw/zinc/31/52/03/578315203.db2.gz NPPXJGCYPVLQGU-VIFPVBQESA-N 0 2 337.401 1.602 20 0 EDADLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cnc(Cl)n2C)c1 ZINC000759708882 580012668 /nfs/dbraw/zinc/01/26/68/580012668.db2.gz QZAHYQNZHMGBMQ-UHFFFAOYSA-N 0 2 343.792 1.969 20 0 EDADLN O=C([O-])CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000739784388 578332830 /nfs/dbraw/zinc/33/28/30/578332830.db2.gz BNQOTYIOTMFVCO-HOTGVXAUSA-N 0 2 338.448 1.448 20 0 EDADLN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1ccc(C)nc1Cl ZINC000788204987 578345285 /nfs/dbraw/zinc/34/52/85/578345285.db2.gz HACZURINQQBVJY-UHFFFAOYSA-N 0 2 341.776 1.448 20 0 EDADLN COC(=O)c1cnccc1NS(=O)(=O)c1ccc(C)nc1Cl ZINC000788204987 578345286 /nfs/dbraw/zinc/34/52/86/578345286.db2.gz HACZURINQQBVJY-UHFFFAOYSA-N 0 2 341.776 1.448 20 0 EDADLN COc1ccc(S(=O)(=O)NC(=O)CCCC[C@@H](C)C(C)=O)cn1 ZINC000759831788 580016539 /nfs/dbraw/zinc/01/65/39/580016539.db2.gz LQKNRUDJACRIMA-LLVKDONJSA-N 0 2 342.417 1.681 20 0 EDADLN O=C(c1cccc(Cl)c1O)N1CCN(c2ncc(F)cn2)CC1 ZINC000760127374 580023951 /nfs/dbraw/zinc/02/39/51/580023951.db2.gz OZYFSJGGQXEGAQ-UHFFFAOYSA-N 0 2 336.754 1.937 20 0 EDADLN O=C1OCc2c1cccc2S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000728509360 578548125 /nfs/dbraw/zinc/54/81/25/578548125.db2.gz JZKDHAXHHGIKDB-UHFFFAOYSA-N 0 2 331.353 1.825 20 0 EDADLN Cc1cc(C)n(CCC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)n1 ZINC000728967003 578555063 /nfs/dbraw/zinc/55/50/63/578555063.db2.gz IRXCFKYWAVPXRL-UHFFFAOYSA-N 0 2 327.344 1.872 20 0 EDADLN CCCOc1cccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c1 ZINC000730525183 578650641 /nfs/dbraw/zinc/65/06/41/578650641.db2.gz JPBJVAHKLRFBLA-UHFFFAOYSA-N 0 2 327.344 1.499 20 0 EDADLN CSCc1ccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1 ZINC000730543783 578651662 /nfs/dbraw/zinc/65/16/62/578651662.db2.gz RKFKHEJKJCPBRM-UHFFFAOYSA-N 0 2 329.385 1.573 20 0 EDADLN CCCCN(C(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000731843162 578681154 /nfs/dbraw/zinc/68/11/54/578681154.db2.gz YDXFGIAJTPOGSI-UHFFFAOYSA-N 0 2 325.372 1.905 20 0 EDADLN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000732045444 578688200 /nfs/dbraw/zinc/68/82/00/578688200.db2.gz LDPLYXSCPSEXOQ-UHFFFAOYSA-N 0 2 338.780 1.753 20 0 EDADLN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000734357016 578810374 /nfs/dbraw/zinc/81/03/74/578810374.db2.gz SVFFGDRJTFCNKP-OCCSQVGLSA-N 0 2 337.383 1.476 20 0 EDADLN CCCC[C@H]1CCC[C@H]1Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC000736443134 578989385 /nfs/dbraw/zinc/98/93/85/578989385.db2.gz ZUOOVEDQLBGNTL-WDEREUQCSA-N 0 2 347.423 1.035 20 0 EDADLN C[C@@H](C[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000736576354 579001988 /nfs/dbraw/zinc/00/19/88/579001988.db2.gz YGEATAIOAZSLMX-WRWORJQWSA-N 0 2 347.184 1.767 20 0 EDADLN C[C@@H](C[N@@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000736576354 579001989 /nfs/dbraw/zinc/00/19/89/579001989.db2.gz YGEATAIOAZSLMX-WRWORJQWSA-N 0 2 347.184 1.767 20 0 EDADLN C[C@@H](NC(=O)Nc1ccc(CCC(=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000736649651 579008600 /nfs/dbraw/zinc/00/86/00/579008600.db2.gz VXCZNADRHKTZPO-ZIAGYGMSSA-N 0 2 349.431 1.935 20 0 EDADLN C[C@]([NH2+]CC(=O)Nc1ccccc1C(=O)[O-])(C(N)=O)c1ccccc1 ZINC000736663239 579009686 /nfs/dbraw/zinc/00/96/86/579009686.db2.gz XLGIVGLIJZHIQD-GOSISDBHSA-N 0 2 341.367 1.314 20 0 EDADLN CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCN(c2ccccc2C)CC1)C(=O)[O-] ZINC000736882423 579029180 /nfs/dbraw/zinc/02/91/80/579029180.db2.gz HUNJWZQGIDMEMN-RDTXWAMCSA-N 0 2 347.459 1.733 20 0 EDADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N(C)C1CCC1 ZINC000737200993 579056298 /nfs/dbraw/zinc/05/62/98/579056298.db2.gz OZVMMYGIPLDHAD-UHFFFAOYSA-N 0 2 330.392 1.528 20 0 EDADLN C[NH+](C)[C@@H](CNC(=O)N1CC[C@H](C(=O)[O-])C1)c1c(F)cccc1F ZINC000737359817 579078363 /nfs/dbraw/zinc/07/83/63/579078363.db2.gz WFUQOCHALYVYHC-GWCFXTLKSA-N 0 2 341.358 1.684 20 0 EDADLN CN(CCCC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(=O)[O-] ZINC000737427400 579089974 /nfs/dbraw/zinc/08/99/74/579089974.db2.gz RMYCQSDUKGQRNF-UHFFFAOYSA-N 0 2 349.431 1.525 20 0 EDADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1nonc1C)CC2 ZINC000737906216 579138599 /nfs/dbraw/zinc/13/85/99/579138599.db2.gz XZCLJYHTZHDMDT-CQSZACIVSA-N 0 2 347.371 1.969 20 0 EDADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1nonc1C)CC2 ZINC000737906216 579138600 /nfs/dbraw/zinc/13/86/00/579138600.db2.gz XZCLJYHTZHDMDT-CQSZACIVSA-N 0 2 347.371 1.969 20 0 EDADLN CN(C(=O)[O-])C1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000737929605 579141011 /nfs/dbraw/zinc/14/10/11/579141011.db2.gz MLPKZGCXECBIHQ-UHFFFAOYSA-N 0 2 331.376 1.618 20 0 EDADLN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(C)c1C(=O)[O-] ZINC000738152229 579165247 /nfs/dbraw/zinc/16/52/47/579165247.db2.gz AVSQAZKDYZHJLG-TVQRCGJNSA-N 0 2 348.321 1.900 20 0 EDADLN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(C)c1C(=O)[O-] ZINC000738152229 579165248 /nfs/dbraw/zinc/16/52/48/579165248.db2.gz AVSQAZKDYZHJLG-TVQRCGJNSA-N 0 2 348.321 1.900 20 0 EDADLN Cc1[nH]c(C(=O)[C@@H](C)N2CCc3c([nH+]cn3C)C2)c(C)c1C(=O)[O-] ZINC000738236996 579175971 /nfs/dbraw/zinc/17/59/71/579175971.db2.gz QVYKNUTXGCBZIX-LLVKDONJSA-N 0 2 330.388 1.693 20 0 EDADLN O=C([O-])[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1cccs1 ZINC000739373927 579197820 /nfs/dbraw/zinc/19/78/20/579197820.db2.gz YMFNARZYLSXSJK-LBPRGKRZSA-N 0 2 329.341 1.280 20 0 EDADLN C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000761333709 580055342 /nfs/dbraw/zinc/05/53/42/580055342.db2.gz UYZBZYKUGHXGAI-IUCAKERBSA-N 0 2 348.371 1.376 20 0 EDADLN C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000761333709 580055343 /nfs/dbraw/zinc/05/53/43/580055343.db2.gz UYZBZYKUGHXGAI-IUCAKERBSA-N 0 2 348.371 1.376 20 0 EDADLN O=C([O-])c1n[nH]c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)nn3)cc21 ZINC000739475514 579210418 /nfs/dbraw/zinc/21/04/18/579210418.db2.gz MJVRAGLHCSKNKG-UHFFFAOYSA-N 0 2 349.310 1.489 20 0 EDADLN CN(C(=O)[O-])C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(O)c3)C2=O)CC1 ZINC000739592462 579222903 /nfs/dbraw/zinc/22/29/03/579222903.db2.gz WWZAQSXHNAPVIN-CQSZACIVSA-N 0 2 347.371 1.098 20 0 EDADLN CN(CC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1)C(=O)[O-] ZINC000739658840 579232110 /nfs/dbraw/zinc/23/21/10/579232110.db2.gz BMTWAMYSFRETBF-UHFFFAOYSA-N 0 2 340.811 1.995 20 0 EDADLN CN(CC1CC[NH+](CC(=O)N(C)c2nccs2)CC1)C(=O)[O-] ZINC000739661713 579232722 /nfs/dbraw/zinc/23/27/22/579232722.db2.gz WHFBGBKKDMHULK-UHFFFAOYSA-N 0 2 326.422 1.428 20 0 EDADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)CCOCc1ccccc1 ZINC000739683945 579236049 /nfs/dbraw/zinc/23/60/49/579236049.db2.gz AZIUMIMWDABTQZ-UHFFFAOYSA-N 0 2 349.431 1.347 20 0 EDADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1ccc2ncsc2c1 ZINC000739688516 579236726 /nfs/dbraw/zinc/23/67/26/579236726.db2.gz NQRYFLPRFVJGSG-UHFFFAOYSA-N 0 2 348.428 1.664 20 0 EDADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1ccnc2ccccc21 ZINC000739689197 579236878 /nfs/dbraw/zinc/23/68/78/579236878.db2.gz WNSHKUIWCUWVLO-UHFFFAOYSA-N 0 2 342.399 1.602 20 0 EDADLN CN1CC[N@H+](C)[C@H](CNC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)C1 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CC(C)Nc1ccc(C(=O)N(C)CC[NH+]2CCN(C(=O)[O-])CC2)cn1 ZINC000824382292 593998776 /nfs/dbraw/zinc/99/87/76/593998776.db2.gz OJPJVKDLIXZXAC-UHFFFAOYSA-N 0 2 349.435 1.270 20 0 EDADLN C[C@@H](CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)NC(=O)[O-] ZINC000824614556 594047632 /nfs/dbraw/zinc/04/76/32/594047632.db2.gz KZQPJEFBWCYCJP-GXTWGEPZSA-N 0 2 330.388 1.866 20 0 EDADLN C[C@H](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)NC(=O)[O-] ZINC000824664577 594052789 /nfs/dbraw/zinc/05/27/89/594052789.db2.gz NFXACTJSQJTVTC-CYBMUJFWSA-N 0 2 335.404 1.181 20 0 EDADLN C[C@@H](CN(C)C(=O)[O-])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000824854493 594084982 /nfs/dbraw/zinc/08/49/82/594084982.db2.gz KQMWQQHBTHBWND-HOCLYGCPSA-N 0 2 349.431 1.250 20 0 EDADLN C[C@@H](CN(C)C(=O)[O-])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000824854493 594084984 /nfs/dbraw/zinc/08/49/84/594084984.db2.gz KQMWQQHBTHBWND-HOCLYGCPSA-N 0 2 349.431 1.250 20 0 EDADLN C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000824881506 594089523 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1.693 20 0 EDADLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000825271499 594159500 /nfs/dbraw/zinc/15/95/00/594159500.db2.gz FMRRBGUEFVIWBJ-OLZOCXBDSA-N 0 2 330.392 1.530 20 0 EDADLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000825271499 594159501 /nfs/dbraw/zinc/15/95/01/594159501.db2.gz FMRRBGUEFVIWBJ-OLZOCXBDSA-N 0 2 330.392 1.530 20 0 EDADLN O=C(NCc1cc(-c2nn[nH]n2)ccc1F)c1[nH]nc2c1CCCC2 ZINC000823237738 594173768 /nfs/dbraw/zinc/17/37/68/594173768.db2.gz ANXGPEIDFRZFKR-UHFFFAOYSA-N 0 2 341.350 1.538 20 0 EDADLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2cccc(C(=O)N(C)C)c2)CCO1 ZINC000825362993 594173892 /nfs/dbraw/zinc/17/38/92/594173892.db2.gz ZRUQHDGMGDYCTC-SWLSCSKDSA-N 0 2 335.404 1.245 20 0 EDADLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2cccc(C(=O)N(C)C)c2)CCO1 ZINC000825362993 594173893 /nfs/dbraw/zinc/17/38/93/594173893.db2.gz ZRUQHDGMGDYCTC-SWLSCSKDSA-N 0 2 335.404 1.245 20 0 EDADLN COC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 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ZINC000829990279 594308693 /nfs/dbraw/zinc/30/86/93/594308693.db2.gz TVYKSJFVFZXDSF-JTQLQIEISA-N 0 2 346.225 1.968 20 0 EDADLN CC(C)[C@H](CCN(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1)NC(=O)[O-] ZINC000826056656 594320228 /nfs/dbraw/zinc/32/02/28/594320228.db2.gz DVUOWNNDOLCDAA-KGLIPLIRSA-N 0 2 344.456 1.031 20 0 EDADLN CC(C)[C@H](CCN(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1)NC(=O)[O-] ZINC000826056656 594320229 /nfs/dbraw/zinc/32/02/29/594320229.db2.gz DVUOWNNDOLCDAA-KGLIPLIRSA-N 0 2 344.456 1.031 20 0 EDADLN C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])CCO1 ZINC000826058035 594320611 /nfs/dbraw/zinc/32/06/11/594320611.db2.gz MJDHWZXAFOBVLD-QLFBSQMISA-N 0 2 341.452 1.430 20 0 EDADLN C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCCCC[C@H]2NC(=O)[O-])CCO1 ZINC000826058035 594320614 /nfs/dbraw/zinc/32/06/14/594320614.db2.gz MJDHWZXAFOBVLD-QLFBSQMISA-N 0 2 341.452 1.430 20 0 EDADLN CCc1nnc(NS(=O)(=O)c2ccc(F)c(C(=O)OC)c2)o1 ZINC000830042774 594323278 /nfs/dbraw/zinc/32/32/78/594323278.db2.gz 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QXDMZPAQPFFVCN-WBVHZDCISA-N 0 2 338.496 1.413 20 0 EDADLN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)N1CC[C@@H](CF)C1 ZINC000881670407 597674668 /nfs/dbraw/zinc/67/46/68/597674668.db2.gz JALSULVLLWLZON-HNNXBMFYSA-N 0 2 348.422 1.328 20 0 EDADLN COc1cc(Cl)ccc1NS(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000882715701 598031326 /nfs/dbraw/zinc/03/13/26/598031326.db2.gz MKORWFKYJKRXPN-IBGZPJMESA-N 0 2 341.842 1.580 20 0 EDADLN CC(=O)c1c(C)cccc1NS(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000882716654 598032227 /nfs/dbraw/zinc/03/22/27/598032227.db2.gz YUOOQPVHJACWQP-HXUWFJFHSA-N 0 2 333.435 1.429 20 0 EDADLN CN=[S@@](C)(=O)c1cccc(NS(=O)(=O)c2cnn(C)c2C)c1 ZINC000882736539 598038437 /nfs/dbraw/zinc/03/84/37/598038437.db2.gz MRWVGTZXVUVHGT-NRFANRHFSA-N 0 2 342.446 1.616 20 0 EDADLN Cc1cc(C)c(S(=O)(=O)N2CC[NH+](CC(=O)[O-])CC2)c(C)c1 ZINC000314386771 600025041 /nfs/dbraw/zinc/02/50/41/600025041.db2.gz BUCBGFBVCHSPHN-UHFFFAOYSA-N 0 2 326.418 1.003 20 0 EDADLN CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNC(=O)[O-])C2)cc1 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C[C@@H](CNC(=O)[O-])[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000738939505 602556082 /nfs/dbraw/zinc/55/60/82/602556082.db2.gz NHVZCGXFNNNMIL-NSHDSACASA-N 0 2 348.403 1.338 20 0 EDADLN C[C@@H](CNC(=O)[O-])[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000738939505 602556084 /nfs/dbraw/zinc/55/60/84/602556084.db2.gz NHVZCGXFNNNMIL-NSHDSACASA-N 0 2 348.403 1.338 20 0 EDADLN C[C@@H]1CN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[C@H]1NC(=O)[O-] ZINC000739150992 602829429 /nfs/dbraw/zinc/82/94/29/602829429.db2.gz YWIPSWDPLMTDDJ-DGCLKSJQSA-N 0 2 335.408 1.407 20 0 EDADLN CCCCc1noc([C@H](C)N(C)CC[NH+]2CCN(C(=O)[O-])CC2)n1 ZINC000739340734 602870426 /nfs/dbraw/zinc/87/04/26/602870426.db2.gz HSSFZYHSTLPVIO-ZDUSSCGKSA-N 0 2 339.440 1.701 20 0 EDADLN CCC(CC)[C@@H](C(=O)NC[C@H]1CCCN1C(=O)[O-])[NH+]1CCOCC1 ZINC000739253187 602897204 /nfs/dbraw/zinc/89/72/04/602897204.db2.gz PQKLXSBTTRQJMZ-CABCVRRESA-N 0 2 341.452 1.382 20 0 EDADLN C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)C[C@@H](C)N1C(=O)[O-] ZINC000739132709 602958345 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335.429 1.856 20 0 EDADLN C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738613829 605922262 /nfs/dbraw/zinc/92/22/62/605922262.db2.gz ALYYMMZQHPDBDP-RYUDHWBXSA-N 0 2 335.429 1.856 20 0 EDADLN Cc1cc(C(=O)NC2CN(Cc3n[nH]c(=O)[nH]3)C2)c(C(F)(F)F)o1 ZINC001031022340 695199160 /nfs/dbraw/zinc/19/91/60/695199160.db2.gz APKHSVFJDLTOAJ-UHFFFAOYSA-N 0 2 345.281 1.045 20 0 EDADLN Cc1[nH]nc(Cl)c1C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000993161172 695703586 /nfs/dbraw/zinc/70/35/86/695703586.db2.gz DCIOKXGOVRNBHH-SSDOTTSWSA-N 0 2 342.680 1.213 20 0 EDADLN Cc1[nH]nc(Cl)c1C(=O)NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000993161172 695703589 /nfs/dbraw/zinc/70/35/89/695703589.db2.gz DCIOKXGOVRNBHH-SSDOTTSWSA-N 0 2 342.680 1.213 20 0 EDADLN CC(F)(F)CCCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000915692004 695970437 /nfs/dbraw/zinc/97/04/37/695970437.db2.gz GMFVDUKLJPGVLX-VIFPVBQESA-N 0 2 338.380 1.455 20 0 EDADLN O=C(NN1C(=O)c2ccccc2C1=O)c1cc(-c2cccnc2)on1 ZINC000915801846 695989576 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/nfs/dbraw/zinc/05/23/44/597052344.db2.gz RLYJSUGAQCVQDP-JYJNAYRXSA-N 0 2 347.415 1.222 20 0 EDADLN CCONC(=O)CNC(=O)NCc1ccc(C)c(Br)c1 ZINC000873057630 597174628 /nfs/dbraw/zinc/17/46/28/597174628.db2.gz WKUSYMZXMIQZBH-UHFFFAOYSA-N 0 2 344.209 1.624 20 0 EDADLN CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CC[C@H](CF)C1 ZINC000881672374 597674513 /nfs/dbraw/zinc/67/45/13/597674513.db2.gz AOGNGFMTOKROJL-OLZOCXBDSA-N 0 2 330.400 1.830 20 0 EDADLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)Nc2cccnc2F)C1 ZINC000879941701 597776457 /nfs/dbraw/zinc/77/64/57/597776457.db2.gz OHPXBBBPAYGVIZ-LBPRGKRZSA-N 0 2 334.273 1.896 20 0 EDADLN COc1cc(CN2CC=C[C@@H]2CO)cc(C[N@@H+]2CC=C[C@H]2CO)c1 ZINC000880493000 597946693 /nfs/dbraw/zinc/94/66/93/597946693.db2.gz XNLDLDZUUJSXAL-HDICACEKSA-N 0 2 330.428 1.161 20 0 EDADLN C[C@@]1(CNS(=O)(=O)N=S(C)(C)=O)OCCc2ccccc21 ZINC000882733831 598036777 /nfs/dbraw/zinc/03/67/77/598036777.db2.gz NAOVQZNULFOJGZ-ZDUSSCGKSA-N 0 2 332.447 1.037 20 0 EDADLN C[C@@H]1CN(c2ccc(NC(=O)NCc3n[nH]c(=O)[nH]3)cc2)C[C@H](C)O1 ZINC000128966079 598136718 /nfs/dbraw/zinc/13/67/18/598136718.db2.gz UHTXLDWPGUDBSY-PHIMTYICSA-N 0 2 346.391 1.033 20 0 EDADLN Cc1ccc(Cl)c(OCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC000320549563 599777631 /nfs/dbraw/zinc/77/76/31/599777631.db2.gz CVONIOYSUYZIRD-LBPRGKRZSA-N 0 2 337.763 1.562 20 0 EDADLN Cc1ccc(Cl)c(OCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1 ZINC000320549563 599777634 /nfs/dbraw/zinc/77/76/34/599777634.db2.gz CVONIOYSUYZIRD-LBPRGKRZSA-N 0 2 337.763 1.562 20 0 EDADLN O=C([O-])c1ccc(NC(=O)C[NH+]2CCC(N3CCCC3=O)CC2)cc1 ZINC000738464463 599796765 /nfs/dbraw/zinc/79/67/65/599796765.db2.gz DGPNZDVQDWDYBY-UHFFFAOYSA-N 0 2 345.399 1.410 20 0 EDADLN O=C([O-])c1ccc(S(=O)(=O)Oc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000740187132 600446005 /nfs/dbraw/zinc/44/60/05/600446005.db2.gz XBHIGDXHBKNXSQ-UHFFFAOYSA-N 0 2 334.309 1.931 20 0 EDADLN O=C([O-])[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccn1 ZINC000739371213 601123123 /nfs/dbraw/zinc/12/31/23/601123123.db2.gz IYKRFGIADPWXTH-MRXNPFEDSA-N 0 2 336.351 1.882 20 0 EDADLN C[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CCC[C@H](CNC(=O)[O-])C2)C1 ZINC000739113030 602253081 /nfs/dbraw/zinc/25/30/81/602253081.db2.gz HSGAGLXEQAKYFO-VXGBXAGGSA-N 0 2 339.461 1.972 20 0 EDADLN C[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CCC[C@H](CNC(=O)[O-])C2)C1 ZINC000739113030 602253082 /nfs/dbraw/zinc/25/30/82/602253082.db2.gz HSGAGLXEQAKYFO-VXGBXAGGSA-N 0 2 339.461 1.972 20 0 EDADLN C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738983932 602317315 /nfs/dbraw/zinc/31/73/15/602317315.db2.gz VITPSHCNKYVIPT-QWHCGFSZSA-N 0 2 349.435 1.797 20 0 EDADLN C[C@@H](CNC(=O)Nc1cccc(CNC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000738916511 602451007 /nfs/dbraw/zinc/45/10/07/602451007.db2.gz AFUFNPVGTFBQFB-LBPRGKRZSA-N 0 2 336.392 1.296 20 0 EDADLN C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000738911118 602459498 /nfs/dbraw/zinc/45/94/98/602459498.db2.gz KXCLDGUVGGDTDA-GOEBONIOSA-N 0 2 349.431 1.612 20 0 EDADLN C[C@H](NC(=O)[O-])C1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000739011776 602712741 /nfs/dbraw/zinc/71/27/41/602712741.db2.gz USBPEOQNPUZZBV-LBPRGKRZSA-N 0 2 349.435 1.797 20 0 EDADLN C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)C[C@H](C)N1C(=O)[O-] ZINC000739132712 602958546 /nfs/dbraw/zinc/95/85/46/602958546.db2.gz GBWXOCFMXONTFW-STQMWFEESA-N 0 2 335.408 1.666 20 0 EDADLN CC(C)(CNC(=O)[O-])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738751963 603008533 /nfs/dbraw/zinc/00/85/33/603008533.db2.gz VQYFZMPCSMHKFQ-AWEZNQCLSA-N 0 2 335.404 1.050 20 0 EDADLN CC(C)(CNC(=O)[O-])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738751963 603008538 /nfs/dbraw/zinc/00/85/38/603008538.db2.gz VQYFZMPCSMHKFQ-AWEZNQCLSA-N 0 2 335.404 1.050 20 0 EDADLN C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000739199488 603125069 /nfs/dbraw/zinc/12/50/69/603125069.db2.gz UWDKEKXXKUVVBA-WCQYABFASA-N 0 2 336.392 1.550 20 0 EDADLN C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000738601232 603359338 /nfs/dbraw/zinc/35/93/38/603359338.db2.gz LMGHTNHMNNWITF-QWHCGFSZSA-N 0 2 337.395 1.857 20 0 EDADLN C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000738601232 603359343 /nfs/dbraw/zinc/35/93/43/603359343.db2.gz LMGHTNHMNNWITF-QWHCGFSZSA-N 0 2 337.395 1.857 20 0 EDADLN Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914247644 695309432 /nfs/dbraw/zinc/30/94/32/695309432.db2.gz CEGQYBOUHCQZLA-CABCVRRESA-N 0 2 337.493 1.461 20 0 EDADLN COC(=O)c1cc(S(=O)(=O)Nc2cnc(Cl)cc2C)cn1C ZINC000153003754 695483415 /nfs/dbraw/zinc/48/34/15/695483415.db2.gz OUHIBSHRAXSJEJ-UHFFFAOYSA-N 0 2 343.792 1.969 20 0 EDADLN Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H]2C)c(C)o1 ZINC000993212853 695813281 /nfs/dbraw/zinc/81/32/81/695813281.db2.gz BGMFEJRCKOECNB-GXFFZTMASA-N 0 2 347.419 1.811 20 0 EDADLN Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H]2C)c(C)o1 ZINC000993212853 695813284 /nfs/dbraw/zinc/81/32/84/695813284.db2.gz BGMFEJRCKOECNB-GXFFZTMASA-N 0 2 347.419 1.811 20 0 EDADLN C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000993408763 696060291 /nfs/dbraw/zinc/06/02/91/696060291.db2.gz GXTVGOUWZGCCIP-GXTWGEPZSA-N 0 2 329.404 1.278 20 0 EDADLN C[C@H]1[C@H](NC(=O)C2C=CC=CC=C2)CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000993408763 696060292 /nfs/dbraw/zinc/06/02/92/696060292.db2.gz GXTVGOUWZGCCIP-GXTWGEPZSA-N 0 2 329.404 1.278 20 0 EDADLN O=C(NC1CN(Cc2n[nH]c(=O)[nH]2)C1)c1cccc(C(F)(F)F)c1 ZINC001031298708 696145524 /nfs/dbraw/zinc/14/55/24/696145524.db2.gz SLOQDPPQRJUNMO-UHFFFAOYSA-N 0 2 341.293 1.143 20 0 EDADLN Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@H]2C)[nH]1 ZINC000993480374 696188227 /nfs/dbraw/zinc/18/82/27/696188227.db2.gz CYIDAFXHVXYQEV-NWDGAFQWSA-N 0 2 332.408 1.238 20 0 EDADLN Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3n[nH]c(=O)[n-]3)[C@H]2C)[nH]1 ZINC000993480374 696188228 /nfs/dbraw/zinc/18/82/28/696188228.db2.gz CYIDAFXHVXYQEV-NWDGAFQWSA-N 0 2 332.408 1.238 20 0 EDADLN CCc1ccc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C)o1 ZINC000993489944 696193943 /nfs/dbraw/zinc/19/39/43/696193943.db2.gz SPQZMEHSYXVTRB-ZYHUDNBSSA-N 0 2 333.392 1.449 20 0 EDADLN O=C(NC1CN(C(=O)C(F)C(F)(F)F)C1)c1cc2cccn2cn1 ZINC000994522880 697019525 /nfs/dbraw/zinc/01/95/25/697019525.db2.gz QNVCFUGIPBVSSA-LLVKDONJSA-N 0 2 344.268 1.175 20 0 EDADLN O=C(NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1)c1cc2cccn2cn1 ZINC000994522880 697019527 /nfs/dbraw/zinc/01/95/27/697019527.db2.gz QNVCFUGIPBVSSA-LLVKDONJSA-N 0 2 344.268 1.175 20 0 EDADLN COCc1nnc([C@@H]2CCCCN2C(=O)NCC2CSC2)[nH]1 ZINC000923835329 697145978 /nfs/dbraw/zinc/14/59/78/697145978.db2.gz LYYAYXDWVWBCKA-NSHDSACASA-N 0 2 325.438 1.551 20 0 EDADLN CCc1noc2ncc(C(=O)NN3C(=O)c4ccccc4C3=O)cc12 ZINC000918397923 697160821 /nfs/dbraw/zinc/16/08/21/697160821.db2.gz UHCLJGVIETVTKR-UHFFFAOYSA-N 0 2 336.307 1.726 20 0 EDADLN COC[C@H]1C[C@@H](NC(=O)C2=NN(c3ccc(OC)cc3)CC2=O)C1 ZINC000921352691 697571429 /nfs/dbraw/zinc/57/14/29/697571429.db2.gz UROMBINPUGOLEC-TXEJJXNPSA-N 0 2 331.372 1.741 20 0 EDADLN O=C(NC[C@@H]1CSCCS1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000921390778 697588876 /nfs/dbraw/zinc/58/88/76/697588876.db2.gz VFCICBGBTZWZBN-NXEZZACHSA-N 0 2 343.478 1.248 20 0 EDADLN CCCc1ccc(C(=O)NCC2CN(Cc3n[nH]c(=O)[nH]3)C2)s1 ZINC001031701385 697658979 /nfs/dbraw/zinc/65/89/79/697658979.db2.gz JBSCCFBEDGMUKQ-UHFFFAOYSA-N 0 2 335.433 1.386 20 0 EDADLN O=C(N[C@H]1CCCCN(C(=O)C(F)C(F)(F)F)C1)c1cncnc1 ZINC000943214160 697897054 /nfs/dbraw/zinc/89/70/54/697897054.db2.gz QQQJJEZWHQNNGQ-WDEREUQCSA-N 0 2 348.300 1.488 20 0 EDADLN O=C(N[C@H]1CCCCN(C(=O)[C@@H](F)C(F)(F)F)C1)c1cncnc1 ZINC000943214160 697897063 /nfs/dbraw/zinc/89/70/63/697897063.db2.gz QQQJJEZWHQNNGQ-WDEREUQCSA-N 0 2 348.300 1.488 20 0 EDADLN Cc1cnc(C(=O)N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cc1C ZINC000938430435 698068617 /nfs/dbraw/zinc/06/86/17/698068617.db2.gz WTLVLUMBNWBFOE-CMPLNLGQSA-N 0 2 347.312 1.930 20 0 EDADLN Cc1cnc(C(=O)N[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)cc1C ZINC000938430435 698068621 /nfs/dbraw/zinc/06/86/21/698068621.db2.gz WTLVLUMBNWBFOE-CMPLNLGQSA-N 0 2 347.312 1.930 20 0 EDADLN CN(C(=O)c1cnccn1)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000938646777 698407452 /nfs/dbraw/zinc/40/74/52/698407452.db2.gz LGECUXUQNJQDQI-WPRPVWTQSA-N 0 2 334.273 1.050 20 0 EDADLN CN(C(=O)c1cnccn1)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000938646777 698407456 /nfs/dbraw/zinc/40/74/56/698407456.db2.gz LGECUXUQNJQDQI-WPRPVWTQSA-N 0 2 334.273 1.050 20 0 EDADLN Cc1[nH]ccc1C(=O)N(C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000938647049 698408029 /nfs/dbraw/zinc/40/80/29/698408029.db2.gz QDXDXKVTZCJQFF-KOLCDFICSA-N 0 2 335.301 1.896 20 0 EDADLN Cc1[nH]ccc1C(=O)N(C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000938647049 698408032 /nfs/dbraw/zinc/40/80/32/698408032.db2.gz QDXDXKVTZCJQFF-KOLCDFICSA-N 0 2 335.301 1.896 20 0 EDADLN Cc1cc(C(=O)N(C)[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)ccn1 ZINC000938647184 698408329 /nfs/dbraw/zinc/40/83/29/698408329.db2.gz SKWSDPKQHKYUTA-RYUDHWBXSA-N 0 2 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CC(C)[C@H](CC[N@@H+](C)Cc1nnnn1-c1ccccc1)NC(=O)[O-] ZINC000824105271 593930945 /nfs/dbraw/zinc/93/09/45/593930945.db2.gz REPWEJFZNLQLDN-AWEZNQCLSA-N 0 2 332.408 1.776 20 0 EDADLN CC(C)C[C@@H](CNC(=O)[O-])NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000824195916 593952553 /nfs/dbraw/zinc/95/25/53/593952553.db2.gz DXOSFRWNLVRQEY-ZDUSSCGKSA-N 0 2 337.424 1.629 20 0 EDADLN COc1ccccc1S(=O)(=O)Nc1ncc(-c2nn[nH]n2)s1 ZINC000821903060 593963598 /nfs/dbraw/zinc/96/35/98/593963598.db2.gz ACVFPYFWWHHPHI-UHFFFAOYSA-N 0 2 338.374 1.133 20 0 EDADLN CC(C)CO[C@H](C)c1noc(C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000824267375 593971372 /nfs/dbraw/zinc/97/13/72/593971372.db2.gz AQPLRBZGUVUHHG-VXGBXAGGSA-N 0 2 326.397 1.987 20 0 EDADLN CC(C)CO[C@H](C)c1noc(C[N@@H+](C)[C@@H]2CCN(C(=O)[O-])C2)n1 ZINC000824267375 593971373 /nfs/dbraw/zinc/97/13/73/593971373.db2.gz AQPLRBZGUVUHHG-VXGBXAGGSA-N 0 2 326.397 1.987 20 0 EDADLN CSc1ccncc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821990534 593977626 /nfs/dbraw/zinc/97/76/26/593977626.db2.gz UFJLDPJVHSFANI-UHFFFAOYSA-N 0 2 348.413 1.784 20 0 EDADLN Cc1cc(F)ccc1[C@@H](O)Cn1nc(C)c(C)c(-c2nn[nH]n2)c1=O ZINC000822206194 594009683 /nfs/dbraw/zinc/00/96/83/594009683.db2.gz XQBIRUKIZFSZFT-ZDUSSCGKSA-N 0 2 344.350 1.221 20 0 EDADLN Cc1cc(F)ccc1S(=O)(=O)Nc1ncc(-c2nn[nH]n2)s1 ZINC000822205930 594009703 /nfs/dbraw/zinc/00/97/03/594009703.db2.gz NSTWFTOTAHMRBH-UHFFFAOYSA-N 0 2 340.365 1.572 20 0 EDADLN CC(C)c1cc(NC(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)no1 ZINC000824458340 594016704 /nfs/dbraw/zinc/01/67/04/594016704.db2.gz DJPRSTMLAIWQTB-UHFFFAOYSA-N 0 2 325.369 1.215 20 0 EDADLN CCONC(=O)CNC(=O)Nc1cccnc1C(=O)OC(C)(C)C ZINC000824600682 594045964 /nfs/dbraw/zinc/04/59/64/594045964.db2.gz AXMRZWGRHHDONI-UHFFFAOYSA-N 0 2 338.364 1.226 20 0 EDADLN CC(C)[C@@H](CCN(C)C(=O)N[C@H](C)Cn1cc[nH+]c1)NC(=O)[O-] ZINC000825056116 594123062 /nfs/dbraw/zinc/12/30/62/594123062.db2.gz OHZGZCRISMAGGE-CHWSQXEVSA-N 0 2 325.413 1.595 20 0 EDADLN C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)[O-] ZINC000825056941 594123115 /nfs/dbraw/zinc/12/31/15/594123115.db2.gz RVGJYNSNFABNAX-WOPDTQHZSA-N 0 2 339.396 1.074 20 0 EDADLN C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(NC(=O)[O-])Cc2ccccc2C1 ZINC000825057492 594123370 /nfs/dbraw/zinc/12/33/70/594123370.db2.gz VNIYQTAKKYRNFY-LBPRGKRZSA-N 0 2 328.372 1.193 20 0 EDADLN CC(C)N(C(=O)[C@H](C)[N@@H+]1CCO[C@H]([C@H](C)NC(=O)[O-])C1)C(C)C ZINC000825342882 594170295 /nfs/dbraw/zinc/17/02/95/594170295.db2.gz FHNFTHRZJKYAHL-IHRRRGAJSA-N 0 2 329.441 1.377 20 0 EDADLN CC(C)N(C(=O)[C@H](C)[N@H+]1CCO[C@H]([C@H](C)NC(=O)[O-])C1)C(C)C ZINC000825342882 594170297 /nfs/dbraw/zinc/17/02/97/594170297.db2.gz FHNFTHRZJKYAHL-IHRRRGAJSA-N 0 2 329.441 1.377 20 0 EDADLN C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1 ZINC000825423955 594183294 /nfs/dbraw/zinc/18/32/94/594183294.db2.gz XNKNTXCLYDTZND-NILFDRSVSA-N 0 2 348.403 1.562 20 0 EDADLN C[C@H](NC(=O)[O-])c1ccc(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1 ZINC000825423955 594183296 /nfs/dbraw/zinc/18/32/96/594183296.db2.gz XNKNTXCLYDTZND-NILFDRSVSA-N 0 2 348.403 1.562 20 0 EDADLN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)N[C@H]1CCCc2cn[nH]c21 ZINC000823338044 594188075 /nfs/dbraw/zinc/18/80/75/594188075.db2.gz XDRPQPKEEVERLJ-LBPRGKRZSA-N 0 2 342.338 1.928 20 0 EDADLN CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])cs1 ZINC000823621860 594222227 /nfs/dbraw/zinc/22/22/27/594222227.db2.gz BIMHSTREMKXSEA-SKDRFNHKSA-N 0 2 326.422 1.970 20 0 EDADLN CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])cs1 ZINC000823621860 594222228 /nfs/dbraw/zinc/22/22/28/594222228.db2.gz BIMHSTREMKXSEA-SKDRFNHKSA-N 0 2 326.422 1.970 20 0 EDADLN CCc1cccc(CC)c1S(=O)(=O)Nc1n[nH]cc1-c1nn[nH]n1 ZINC000825722441 594231815 /nfs/dbraw/zinc/23/18/15/594231815.db2.gz GLLBYGLDZUSJEN-UHFFFAOYSA-N 0 2 347.404 1.515 20 0 EDADLN C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000825821614 594254868 /nfs/dbraw/zinc/25/48/68/594254868.db2.gz BJMZNOFWEXBMMS-AAEUAGOBSA-N 0 2 335.408 1.478 20 0 EDADLN COc1cccc(S(O)=CC(=O)N2CCC(C(C)(C)O)CC2)c1 ZINC000827760771 594273816 /nfs/dbraw/zinc/27/38/16/594273816.db2.gz XTUXWLBSKFCDQH-QHCPKHFHSA-N 0 2 339.457 1.812 20 0 EDADLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(N)=O)[C@@H]1CNC(=O)[O-] ZINC000825924206 594282013 /nfs/dbraw/zinc/28/20/13/594282013.db2.gz FMWVCDHGIUQHNM-BXUZGUMPSA-N 0 2 348.403 1.092 20 0 EDADLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(N)=O)[C@@H]1CNC(=O)[O-] ZINC000825924206 594282014 /nfs/dbraw/zinc/28/20/14/594282014.db2.gz FMWVCDHGIUQHNM-BXUZGUMPSA-N 0 2 348.403 1.092 20 0 EDADLN CCOC(=O)c1cn(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)nc1C(F)(F)F ZINC000829890333 594284322 /nfs/dbraw/zinc/28/43/22/594284322.db2.gz OEQRSJIMSXXNFD-DTWKUNHWSA-N 0 2 349.309 1.689 20 0 EDADLN CCOC(=O)c1cn(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)nc1C(F)(F)F ZINC000829890333 594284325 /nfs/dbraw/zinc/28/43/25/594284325.db2.gz OEQRSJIMSXXNFD-DTWKUNHWSA-N 0 2 349.309 1.689 20 0 EDADLN C[C@H]1C[N@@H+]([C@@H](CNC(=O)CCNC(=O)[O-])c2cccs2)CCO1 ZINC000826042610 594314398 /nfs/dbraw/zinc/31/43/98/594314398.db2.gz QIKPPBLOERXOAW-RYUDHWBXSA-N 0 2 341.433 1.284 20 0 EDADLN C[C@H]1C[N@H+]([C@@H](CNC(=O)CCNC(=O)[O-])c2cccs2)CCO1 ZINC000826042610 594314400 /nfs/dbraw/zinc/31/44/00/594314400.db2.gz QIKPPBLOERXOAW-RYUDHWBXSA-N 0 2 341.433 1.284 20 0 EDADLN CN(CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1)C(=O)[O-] ZINC000828096102 594339951 /nfs/dbraw/zinc/33/99/51/594339951.db2.gz WLROMNBZBYFXBX-UHFFFAOYSA-N 0 2 325.796 1.594 20 0 EDADLN Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1NC(=O)[O-] ZINC000830206002 594354618 /nfs/dbraw/zinc/35/46/18/594354618.db2.gz VQBRIFXMLMRJOU-STQMWFEESA-N 0 2 335.404 1.924 20 0 EDADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)N[C@@H]1CCCC1(C)C ZINC000828312100 594388710 /nfs/dbraw/zinc/38/87/10/594388710.db2.gz HEIFITLJAHOSNN-CYBMUJFWSA-N 0 2 326.441 1.502 20 0 EDADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)Cc1cc(F)ccc1F ZINC000828313357 594389115 /nfs/dbraw/zinc/38/91/15/594389115.db2.gz YVMDYSAFAHWJJL-UHFFFAOYSA-N 0 2 341.358 1.261 20 0 EDADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N1CC(C(C)C)C1 ZINC000826232707 594389938 /nfs/dbraw/zinc/38/99/38/594389938.db2.gz DZTIWUUWLFOSCA-UHFFFAOYSA-N 0 2 344.419 1.631 20 0 EDADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)Nc1ccc(Cl)cn1 ZINC000828316471 594390059 /nfs/dbraw/zinc/39/00/59/594390059.db2.gz QOPDACSGFCRWRS-UHFFFAOYSA-N 0 2 341.799 1.494 20 0 EDADLN Cc1cccc(O)c1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000826300032 594415066 /nfs/dbraw/zinc/41/50/66/594415066.db2.gz FEZYHJXBBXQAII-UHFFFAOYSA-N 0 2 349.347 1.821 20 0 EDADLN Cc1cccc2[nH+]c(CNC(=O)CO[C@H]3CCCN(C(=O)[O-])C3)cn21 ZINC000830539989 594417765 /nfs/dbraw/zinc/41/77/65/594417765.db2.gz ZNVRCGSYDQZQIV-AWEZNQCLSA-N 0 2 346.387 1.418 20 0 EDADLN C[C@H](CNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1)CC1(C)OCCO1 ZINC000828473964 594430650 /nfs/dbraw/zinc/43/06/50/594430650.db2.gz XYXZERPGKFIOSH-NSHDSACASA-N 0 2 347.371 1.549 20 0 EDADLN Cc1ccn2cc(CNC(=O)C[C@@H]3CSCCN3C(=O)[O-])[nH+]c2c1 ZINC000830606966 594436181 /nfs/dbraw/zinc/43/61/81/594436181.db2.gz HUAWNZSJHJOMPW-CYBMUJFWSA-N 0 2 348.428 1.744 20 0 EDADLN C[N@@H+]1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)[C@@H](CNC(=O)[O-])C1 ZINC000828500671 594437871 /nfs/dbraw/zinc/43/78/71/594437871.db2.gz MUXUMLPNKIGCOS-ZDUSSCGKSA-N 0 2 348.378 1.260 20 0 EDADLN C[N@H+]1CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)[C@@H](CNC(=O)[O-])C1 ZINC000828500671 594437873 /nfs/dbraw/zinc/43/78/73/594437873.db2.gz MUXUMLPNKIGCOS-ZDUSSCGKSA-N 0 2 348.378 1.260 20 0 EDADLN C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CC2)S1 ZINC000828500216 594438216 /nfs/dbraw/zinc/43/82/16/594438216.db2.gz OHPKSZIMRWIWNZ-JHJVBQTASA-N 0 2 339.461 1.513 20 0 EDADLN C[N@@H+]1CCN(C(=O)CSc2ccc(F)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828501086 594438417 /nfs/dbraw/zinc/43/84/17/594438417.db2.gz VGDBNEOWKNPQRX-GFCCVEGCSA-N 0 2 341.408 1.328 20 0 EDADLN C[N@H+]1CCN(C(=O)CSc2ccc(F)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828501086 594438418 /nfs/dbraw/zinc/43/84/18/594438418.db2.gz VGDBNEOWKNPQRX-GFCCVEGCSA-N 0 2 341.408 1.328 20 0 EDADLN C[N@@H+]1CCN(C(=O)c2ccc(-n3cccc3)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828507303 594439487 /nfs/dbraw/zinc/43/94/87/594439487.db2.gz ODHYRLUHHSDCNE-MRXNPFEDSA-N 0 2 342.399 1.501 20 0 EDADLN C[N@H+]1CCN(C(=O)c2ccc(-n3cccc3)cc2)[C@H](CNC(=O)[O-])C1 ZINC000828507303 594439490 /nfs/dbraw/zinc/43/94/90/594439490.db2.gz ODHYRLUHHSDCNE-MRXNPFEDSA-N 0 2 342.399 1.501 20 0 EDADLN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000828506705 594439596 /nfs/dbraw/zinc/43/95/96/594439596.db2.gz JMWPANLNNXRJGI-QMMMGPOBSA-N 0 2 349.218 1.356 20 0 EDADLN Cn1c(Cl)c(Cl)cc1C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000828506705 594439599 /nfs/dbraw/zinc/43/95/99/594439599.db2.gz JMWPANLNNXRJGI-QMMMGPOBSA-N 0 2 349.218 1.356 20 0 EDADLN Cn1cc(CC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])c2ccccc21 ZINC000828506726 594439739 /nfs/dbraw/zinc/43/97/39/594439739.db2.gz JYCHHIVHRYHJNF-CQSZACIVSA-N 0 2 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ZINC000738537198 600716497 /nfs/dbraw/zinc/71/64/97/600716497.db2.gz AYBWIMSOCNPMAU-ZDUSSCGKSA-N 0 2 347.444 1.806 20 0 EDADLN O=C([O-])[C@H]1CCC[N@@H+](Cn2ncn(CCc3ccccn3)c2=S)C1 ZINC000738537198 600716500 /nfs/dbraw/zinc/71/65/00/600716500.db2.gz AYBWIMSOCNPMAU-ZDUSSCGKSA-N 0 2 347.444 1.806 20 0 EDADLN C[N@@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000325179898 601086836 /nfs/dbraw/zinc/08/68/36/601086836.db2.gz AMEMUZCYPWKKPE-CQSZACIVSA-N 0 2 335.404 1.501 20 0 EDADLN C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000325179898 601086840 /nfs/dbraw/zinc/08/68/40/601086840.db2.gz AMEMUZCYPWKKPE-CQSZACIVSA-N 0 2 335.404 1.501 20 0 EDADLN CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000739225154 602125639 /nfs/dbraw/zinc/12/56/39/602125639.db2.gz DNFRWBGYUDAROB-DOMZBBRYSA-N 0 2 334.420 1.849 20 0 EDADLN CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)C1 ZINC000739267887 602253683 /nfs/dbraw/zinc/25/36/83/602253683.db2.gz 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EDADLN C[N@H+]1CCN(C(=O)c2cc3ccccc3s2)[C@@H](CNC(=O)[O-])C1 ZINC000828508003 594440373 /nfs/dbraw/zinc/44/03/73/594440373.db2.gz VWCPQOOSGSCJJQ-LBPRGKRZSA-N 0 2 333.413 1.925 20 0 EDADLN Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000830764586 594473086 /nfs/dbraw/zinc/47/30/86/594473086.db2.gz LKRMUJIZZGTQCV-ZDUSSCGKSA-N 0 2 348.403 1.555 20 0 EDADLN Cn1cc(Cl)c(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)n1 ZINC000830790574 594478121 /nfs/dbraw/zinc/47/81/21/594478121.db2.gz XNJRYYDRGZMMCS-NSHDSACASA-N 0 2 338.717 1.357 20 0 EDADLN COc1c(F)nccc1C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000828682015 594479368 /nfs/dbraw/zinc/47/93/68/594479368.db2.gz WQIYMVZVEZGMOI-ZDUSSCGKSA-N 0 2 349.284 1.512 20 0 EDADLN O=C(c1ccc2[nH]nnc2c1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826473722 594491145 /nfs/dbraw/zinc/49/11/45/594491145.db2.gz KMNCPJNNXORNLM-UHFFFAOYSA-N 0 2 332.327 1.341 20 0 EDADLN CCC(CC)(CNC(=O)NCc1cn2c([nH+]1)CCCC2)NC(=O)[O-] ZINC000826532282 594520722 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C[C@H](C(=O)NCC(=O)[O-])N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000826001223 594302585 /nfs/dbraw/zinc/30/25/85/594302585.db2.gz UFCOODDDRTYDBV-GFCCVEGCSA-N 0 2 339.823 1.047 20 0 EDADLN C[C@H](C(=O)NCC(=O)[O-])[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000826001223 594302586 /nfs/dbraw/zinc/30/25/86/594302586.db2.gz UFCOODDDRTYDBV-GFCCVEGCSA-N 0 2 339.823 1.047 20 0 EDADLN CCOC[C@H]1CC[N@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000829989708 594308726 /nfs/dbraw/zinc/30/87/26/594308726.db2.gz KKMZHHOFHREKML-JTQLQIEISA-N 0 2 327.406 1.067 20 0 EDADLN CCOC[C@H]1CC[N@@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C1 ZINC000829989708 594308727 /nfs/dbraw/zinc/30/87/27/594308727.db2.gz KKMZHHOFHREKML-JTQLQIEISA-N 0 2 327.406 1.067 20 0 EDADLN C[C@@]1(C(=O)[O-])CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000828002743 594319575 /nfs/dbraw/zinc/31/95/75/594319575.db2.gz JGAYPSCEDNNQQO-QGZVFWFLSA-N 0 2 328.372 1.879 20 0 EDADLN C[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000826058189 594320526 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1.416 20 0 EDADLN Cc1ccn2cc(CNC(=O)N(CC(=O)[O-])C3CCOCC3)[nH+]c2c1 ZINC000908866227 592637509 /nfs/dbraw/zinc/63/75/09/592637509.db2.gz KRJCDFJGEHWIBR-UHFFFAOYSA-N 0 2 346.387 1.418 20 0 EDADLN O=S(=O)(CC[C@@H]1CCCO1)Nc1nccc(-c2cccnc2)n1 ZINC000907428169 592644949 /nfs/dbraw/zinc/64/49/49/592644949.db2.gz AZEOXNPRLGGUDD-ZDUSSCGKSA-N 0 2 334.401 1.849 20 0 EDADLN CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000908919722 592660655 /nfs/dbraw/zinc/66/06/55/592660655.db2.gz CBAJMUPZDISCOV-HZPDHXFCSA-N 0 2 349.431 1.565 20 0 EDADLN CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000908919722 592660659 /nfs/dbraw/zinc/66/06/59/592660659.db2.gz CBAJMUPZDISCOV-HZPDHXFCSA-N 0 2 349.431 1.565 20 0 EDADLN CCn1cc[nH+]c1CNC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC000908975018 592688001 /nfs/dbraw/zinc/68/80/01/592688001.db2.gz NRJBMXDMCZYCLA-QGZVFWFLSA-N 0 2 348.378 1.927 20 0 EDADLN C/C(=C/C(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)C[NH+]1CCOCC1 ZINC000908976577 592689194 /nfs/dbraw/zinc/68/91/94/592689194.db2.gz DIKWGYYKINPFMS-LUQQZNFBSA-N 0 2 344.411 1.307 20 0 EDADLN CC[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC000909855018 592693985 /nfs/dbraw/zinc/69/39/85/592693985.db2.gz NEACAKJJZJBGJM-KFWWJZLASA-N 0 2 328.453 1.834 20 0 EDADLN CC[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC000909855018 592693988 /nfs/dbraw/zinc/69/39/88/592693988.db2.gz NEACAKJJZJBGJM-KFWWJZLASA-N 0 2 328.453 1.834 20 0 EDADLN CC(C)C[C@H](C(=O)N1CCSC[C@@H]1CC(=O)[O-])n1cc[nH+]c1 ZINC000909010496 592694697 /nfs/dbraw/zinc/69/46/97/592694697.db2.gz XYAQWJYOSSBKNA-QWHCGFSZSA-N 0 2 325.434 1.889 20 0 EDADLN CC(C)C[C@@H](C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1)n1cc[nH+]c1 ZINC000908985354 592697754 /nfs/dbraw/zinc/69/77/54/592697754.db2.gz WKDKQYQSAJJKOA-CABCVRRESA-N 0 2 337.420 1.953 20 0 EDADLN Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC3(CCC3)[C@](F)(C(=O)[O-])C1)CC2 ZINC000909942291 592726321 /nfs/dbraw/zinc/72/63/21/592726321.db2.gz VQTNMLYEEVGAGC-APPDUMDISA-N 0 2 335.379 1.628 20 0 EDADLN Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC3(CCC3)[C@](F)(C(=O)[O-])C1)C2 ZINC000909942291 592726325 /nfs/dbraw/zinc/72/63/25/592726325.db2.gz VQTNMLYEEVGAGC-APPDUMDISA-N 0 2 335.379 1.628 20 0 EDADLN COc1cccc([C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(=O)[O-])c1 ZINC000909947000 592728745 /nfs/dbraw/zinc/72/87/45/592728745.db2.gz HEPWRHDUZAHGOU-DOMZBBRYSA-N 0 2 329.356 1.396 20 0 EDADLN CC(C)[C@H](C(=O)NCc1ccoc1C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000909962332 592733648 /nfs/dbraw/zinc/73/36/48/592733648.db2.gz MAKSARYIQRNHIO-MBNYWOFBSA-N 0 2 338.404 1.728 20 0 EDADLN CC(C)[C@H](C(=O)NCc1ccoc1C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000909962332 592733652 /nfs/dbraw/zinc/73/36/52/592733652.db2.gz MAKSARYIQRNHIO-MBNYWOFBSA-N 0 2 338.404 1.728 20 0 EDADLN COCc1csc(NS(=O)(=O)N=S2(=O)CCCC2)n1 ZINC000906058511 592733623 /nfs/dbraw/zinc/73/36/23/592733623.db2.gz WNXCGGFMLACXNB-UHFFFAOYSA-N 0 2 325.437 1.208 20 0 EDADLN CO[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C(=O)[O-])C1 ZINC000909982874 592740136 /nfs/dbraw/zinc/74/01/36/592740136.db2.gz NEMOOMSVIFTYEI-KGLIPLIRSA-N 0 2 331.372 1.276 20 0 EDADLN Cc1ccc([C@@H](CNc2cc(C(=O)[O-])ncn2)[NH+]2CCOCC2)cc1 ZINC000906139558 592751562 /nfs/dbraw/zinc/75/15/62/592751562.db2.gz KZIJLYURBRWISY-MRXNPFEDSA-N 0 2 342.399 1.969 20 0 EDADLN O=C([O-])c1csc([C@@H]2CCCN2C(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC000910105332 592767460 /nfs/dbraw/zinc/76/74/60/592767460.db2.gz UULJYFWJHNTRRG-JQWIXIFHSA-N 0 2 346.412 1.964 20 0 EDADLN O=C([O-])[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)Cc1cccc(F)c1 ZINC000909235479 592780538 /nfs/dbraw/zinc/78/05/38/592780538.db2.gz CQKLZOROHRYHEP-OLZOCXBDSA-N 0 2 345.374 1.713 20 0 EDADLN O=C([O-])[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)Cc1cccc(F)c1 ZINC000909235479 592780541 /nfs/dbraw/zinc/78/05/41/592780541.db2.gz CQKLZOROHRYHEP-OLZOCXBDSA-N 0 2 345.374 1.713 20 0 EDADLN COc1ccc(C(=O)OCCCNC(=O)C(F)(F)F)c(Cl)n1 ZINC000910172676 592781099 /nfs/dbraw/zinc/78/10/99/592781099.db2.gz MZCNUCPZQBZRGT-UHFFFAOYSA-N 0 2 340.685 1.969 20 0 EDADLN Cc1[nH+]c2ccc(C(=O)N3CCSC[C@H](C(=O)[O-])C3)cc2n1C ZINC000910148608 592783457 /nfs/dbraw/zinc/78/34/57/592783457.db2.gz CYFBGKQFGLAQHD-GFCCVEGCSA-N 0 2 333.413 1.772 20 0 EDADLN O=C(NCC1(Br)CC1)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000910218069 592795448 /nfs/dbraw/zinc/79/54/48/592795448.db2.gz CHASDUKXPVSYBN-UHFFFAOYSA-N 0 2 338.161 1.687 20 0 EDADLN C[C@H](NC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000907811511 592801390 /nfs/dbraw/zinc/80/13/90/592801390.db2.gz PNXSVZWLLFGPSK-PWDMQXDWSA-N 0 2 346.427 1.470 20 0 EDADLN CC[C@H](C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000909697970 592808949 /nfs/dbraw/zinc/80/89/49/592808949.db2.gz IJXFPKQXPRNNNY-IIDMSEBBSA-N 0 2 340.464 1.835 20 0 EDADLN CC[C@H](C(=O)N1CC[C@](C(=O)[O-])(C(C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000909697970 592808951 /nfs/dbraw/zinc/80/89/51/592808951.db2.gz IJXFPKQXPRNNNY-IIDMSEBBSA-N 0 2 340.464 1.835 20 0 EDADLN COC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3[nH+]c(C)n(C)c3c2)C1 ZINC000909715511 592814731 /nfs/dbraw/zinc/81/47/31/592814731.db2.gz RSGMBBSRJKPOEJ-GOSISDBHSA-N 0 2 345.399 1.835 20 0 EDADLN CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)[C@@](C)(C(=O)[O-])C1 ZINC000910262533 592824405 /nfs/dbraw/zinc/82/44/05/592824405.db2.gz DMAZZEOAWCMLOP-JRPNMDOOSA-N 0 2 334.363 1.054 20 0 EDADLN CO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)[C@@](C)(C(=O)[O-])C1 ZINC000910262533 592824407 /nfs/dbraw/zinc/82/44/07/592824407.db2.gz DMAZZEOAWCMLOP-JRPNMDOOSA-N 0 2 334.363 1.054 20 0 EDADLN CC[C@@]1(C)NC(=O)N(NC(=O)C(F)(F)c2cccc(OC)c2)C1=O ZINC000907881153 592827600 /nfs/dbraw/zinc/82/76/00/592827600.db2.gz CJHCMCLUQUBBDH-CQSZACIVSA-N 0 2 341.314 1.539 20 0 EDADLN CC(C)[C@]1(C(=O)[O-])CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)C1 ZINC000910313311 592829066 /nfs/dbraw/zinc/82/90/66/592829066.db2.gz DIJSRHHYBXHKSH-SFHVURJKSA-N 0 2 348.447 1.765 20 0 EDADLN CC(C)[C@]1(C(=O)[O-])CCN(c2cc(N3CCC(C)(O)CC3)nc[nH+]2)C1 ZINC000910313311 592829068 /nfs/dbraw/zinc/82/90/68/592829068.db2.gz DIJSRHHYBXHKSH-SFHVURJKSA-N 0 2 348.447 1.765 20 0 EDADLN C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000909750997 592830965 /nfs/dbraw/zinc/83/09/65/592830965.db2.gz RHFQQNOTSDFRJD-ZFWWWQNUSA-N 0 2 327.384 1.947 20 0 EDADLN CC(C)C[C@H](C(=O)NCCc1nc(C(=O)[O-])cs1)n1cc[nH+]c1 ZINC000909797411 592833179 /nfs/dbraw/zinc/83/31/79/592833179.db2.gz ZPBUAPPZQQKLCW-GFCCVEGCSA-N 0 2 336.417 1.984 20 0 EDADLN O=C([O-])c1csc(CCNC(=O)[C@@H]2CCC[N@H+](CC(F)F)C2)n1 ZINC000909797065 592833208 /nfs/dbraw/zinc/83/32/08/592833208.db2.gz XVEBBZPWBDJGRQ-SECBINFHSA-N 0 2 347.387 1.477 20 0 EDADLN O=C([O-])c1csc(CCNC(=O)[C@@H]2CCC[N@@H+](CC(F)F)C2)n1 ZINC000909797065 592833210 /nfs/dbraw/zinc/83/32/10/592833210.db2.gz XVEBBZPWBDJGRQ-SECBINFHSA-N 0 2 347.387 1.477 20 0 EDADLN CC(C)C[C@@H](C(=O)NCCc1nc(C(=O)[O-])cs1)n1cc[nH+]c1 ZINC000909797412 592833283 /nfs/dbraw/zinc/83/32/83/592833283.db2.gz ZPBUAPPZQQKLCW-LBPRGKRZSA-N 0 2 336.417 1.984 20 0 EDADLN Cc1cc([C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(=O)[O-])ccc1F ZINC000909794297 592840643 /nfs/dbraw/zinc/84/06/43/592840643.db2.gz FAYJYAPSKAMDPX-SWLSCSKDSA-N 0 2 331.347 1.835 20 0 EDADLN O=C([O-])[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000909817659 592848451 /nfs/dbraw/zinc/84/84/51/592848451.db2.gz ZRZADZBFNLWCNS-GXTWGEPZSA-N 0 2 347.802 1.911 20 0 EDADLN O=C([O-])CS[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C(F)(F)F ZINC000910350624 592850420 /nfs/dbraw/zinc/85/04/20/592850420.db2.gz AFVNVDPWSVRJHD-VIFPVBQESA-N 0 2 347.318 1.813 20 0 EDADLN O=C([O-])CS[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)(F)F ZINC000910354402 592852769 /nfs/dbraw/zinc/85/27/69/592852769.db2.gz ZFUJDFMGPUAGRN-BHNWBGBOSA-N 0 2 337.323 1.378 20 0 EDADLN O=C([O-])CS[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)(F)F ZINC000910354402 592852772 /nfs/dbraw/zinc/85/27/72/592852772.db2.gz ZFUJDFMGPUAGRN-BHNWBGBOSA-N 0 2 337.323 1.378 20 0 EDADLN O=C([O-])c1n[nH+]c2ccccc2c1N1CCN(c2ncns2)CC1 ZINC000910384703 592856310 /nfs/dbraw/zinc/85/63/10/592856310.db2.gz SJUSIZUKGJVHDQ-UHFFFAOYSA-N 0 2 342.384 1.506 20 0 EDADLN CC(C)C[C@H](CNc1cc(N2CCC(C)(O)CC2)nc[nH+]1)C(=O)[O-] ZINC000910431634 592862571 /nfs/dbraw/zinc/86/25/71/592862571.db2.gz YKCAFZULOTXJJR-CYBMUJFWSA-N 0 2 336.436 1.987 20 0 EDADLN CC(C)C[C@H](CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1)C(=O)[O-] ZINC000910431634 592862572 /nfs/dbraw/zinc/86/25/72/592862572.db2.gz YKCAFZULOTXJJR-CYBMUJFWSA-N 0 2 336.436 1.987 20 0 EDADLN O=C([O-])C1CC2(C1)C[C@H](Nc1cc(N3CCOCC3)nc[nH+]1)CCO2 ZINC000910487098 592869475 /nfs/dbraw/zinc/86/94/75/592869475.db2.gz HXAAAAOPMJLRRY-UIORMTCPSA-N 0 2 348.403 1.138 20 0 EDADLN O=C([O-])C1CC2(C1)C[C@H](Nc1cc(N3CCOCC3)[nH+]cn1)CCO2 ZINC000910487098 592869476 /nfs/dbraw/zinc/86/94/76/592869476.db2.gz HXAAAAOPMJLRRY-UIORMTCPSA-N 0 2 348.403 1.138 20 0 EDADLN C[C@@H](O)[C@@H]1CCN(c2cc(N3C[C@@H](C)[C@H](CC(=O)[O-])C3)nc[nH+]2)C1 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Cc1cc([C@@H](C)[NH+]2CCN([C@H](C)C(=O)NC3CC3)CC2)oc1C(=O)[O-] ZINC000832870788 594782203 /nfs/dbraw/zinc/78/22/03/594782203.db2.gz LXMCKOAFNYSEOS-CHWSQXEVSA-N 0 2 349.431 1.632 20 0 EDADLN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000832919758 594785185 /nfs/dbraw/zinc/78/51/85/594785185.db2.gz VEPZJCLFIFHLHA-UHFFFAOYSA-N 0 2 349.412 1.951 20 0 EDADLN Cc1ccc(CCNc2ccc(S(N)(=O)=O)cc2C(=O)[O-])c[nH+]1 ZINC000832931116 594785713 /nfs/dbraw/zinc/78/57/13/594785713.db2.gz TXEWZSKJEFATNE-UHFFFAOYSA-N 0 2 335.385 1.390 20 0 EDADLN Cc1ccc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)cc1C(=O)[O-] ZINC000832957919 594787454 /nfs/dbraw/zinc/78/74/54/594787454.db2.gz RILLWIWBFPSDBP-UHFFFAOYSA-N 0 2 345.380 1.819 20 0 EDADLN O=C([O-])C[C@H]1CCCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000833209665 594805069 /nfs/dbraw/zinc/80/50/69/594805069.db2.gz KPACKHJTPDAVTO-SECBINFHSA-N 0 2 334.298 1.594 20 0 EDADLN CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1c[nH+]c2n1CCCC2 ZINC000835272278 594806924 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C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC000833409336 594843697 /nfs/dbraw/zinc/84/36/97/594843697.db2.gz MDHSGRPJSUWDSV-JTQLQIEISA-N 0 2 326.780 1.579 20 0 EDADLN C[C@@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833412655 594843936 /nfs/dbraw/zinc/84/39/36/594843936.db2.gz WGRFIYFESDSMJV-JOYOIKCWSA-N 0 2 341.795 1.220 20 0 EDADLN CC(C)[C@@H]1C[N@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCO1 ZINC000833472377 594854419 /nfs/dbraw/zinc/85/44/19/594854419.db2.gz VEADHOAXEBAFNO-SJORKVTESA-N 0 2 346.427 1.381 20 0 EDADLN CC(C)[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCO1 ZINC000833472377 594854420 /nfs/dbraw/zinc/85/44/20/594854420.db2.gz VEADHOAXEBAFNO-SJORKVTESA-N 0 2 346.427 1.381 20 0 EDADLN C[C@H](Oc1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)[O-] ZINC000833537053 594868683 /nfs/dbraw/zinc/86/86/83/594868683.db2.gz GUVXODODHYDUCB-AAEUAGOBSA-N 0 2 327.402 1.157 20 0 EDADLN C[C@H](Oc1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1)C(=O)[O-] ZINC000833537053 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330.388 1.121 20 0 EDADLN C[N@@H+]1CCN(C(=O)CCc2cc(F)ccc2F)[C@@H](CNC(=O)[O-])C1 ZINC000828502004 594438608 /nfs/dbraw/zinc/43/86/08/594438608.db2.gz ZYWSMAIIBHFJTL-ZDUSSCGKSA-N 0 2 341.358 1.308 20 0 EDADLN C[N@H+]1CCN(C(=O)CCc2cc(F)ccc2F)[C@@H](CNC(=O)[O-])C1 ZINC000828502004 594438610 /nfs/dbraw/zinc/43/86/10/594438610.db2.gz ZYWSMAIIBHFJTL-ZDUSSCGKSA-N 0 2 341.358 1.308 20 0 EDADLN CN(C)c1ccc(CNC(=O)C(=O)Nc2sccc2C(=O)[O-])c[nH+]1 ZINC000830636085 594444252 /nfs/dbraw/zinc/44/42/52/594444252.db2.gz UXLLDZCVZICDBF-UHFFFAOYSA-N 0 2 348.384 1.162 20 0 EDADLN CC[C@@H](C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)[NH+](C)C ZINC000828586883 594457701 /nfs/dbraw/zinc/45/77/01/594457701.db2.gz KRVLPLIPDGQDLX-LBPRGKRZSA-N 0 2 328.390 1.067 20 0 EDADLN Cc1[nH+]c2ccccc2n1CCNC(=O)C[C@@H]1CCCN1C(=O)[O-] ZINC000830792976 594478260 /nfs/dbraw/zinc/47/82/60/594478260.db2.gz KFEMPKMLEHJMDH-ZDUSSCGKSA-N 0 2 330.388 1.993 20 0 EDADLN CCOc1cnc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cn1 ZINC000830807070 594483057 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COC(=O)[C@H](c1cc(OC)cc(OC)c1)[N@@H+](C)C[C@H](C)C(=O)[O-] ZINC000831084631 594552051 /nfs/dbraw/zinc/55/20/51/594552051.db2.gz OJRVWXIDJBANBD-HZMBPMFUSA-N 0 2 325.361 1.570 20 0 EDADLN CCC[C@@](C)(NC(=O)[O-])C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000826711765 594561689 /nfs/dbraw/zinc/56/16/89/594561689.db2.gz FOULHOHHWAJIHP-IAQYHMDHSA-N 0 2 342.465 1.448 20 0 EDADLN O=C(NCC1CN(C(=O)c2cc(C(F)(F)F)[nH]n2)C1)C(F)(F)F ZINC000831125274 594562714 /nfs/dbraw/zinc/56/27/14/594562714.db2.gz JMFIDMHSFARXID-UHFFFAOYSA-N 0 2 344.215 1.179 20 0 EDADLN C[C@H]1CCC[C@H](C2CN(C(=O)Cn3[nH]cc4c(=O)ncnc3-4)C2)C1 ZINC000829130930 594570903 /nfs/dbraw/zinc/57/09/03/594570903.db2.gz RXRWDOWKQQEDFQ-RYUDHWBXSA-N 0 2 329.404 1.356 20 0 EDADLN CC(C)(C(N)=O)[NH+]1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC1 ZINC000829220204 594583409 /nfs/dbraw/zinc/58/34/09/594583409.db2.gz HJSXUXIWWJASMP-UHFFFAOYSA-N 0 2 348.428 1.138 20 0 EDADLN O=C(C[C@@H]1CCCN1C(=O)[O-])NCc1cc[nH+]c(N2CCCC2)c1 ZINC000831335888 594610155 /nfs/dbraw/zinc/61/01/55/594610155.db2.gz WWCNVKDOTHGNOI-AWEZNQCLSA-N 0 2 332.404 1.831 20 0 EDADLN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000827015739 594623899 /nfs/dbraw/zinc/62/38/99/594623899.db2.gz HDZSIEAHDBMFCB-AWEZNQCLSA-N 0 2 344.358 1.391 20 0 EDADLN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)NCc1cc(F)cc(F)c1 ZINC000827015739 594623900 /nfs/dbraw/zinc/62/39/00/594623900.db2.gz HDZSIEAHDBMFCB-AWEZNQCLSA-N 0 2 344.358 1.391 20 0 EDADLN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)N(C1CC1)C1CCCC1 ZINC000827016208 594624095 /nfs/dbraw/zinc/62/40/95/594624095.db2.gz MCPYXVIVYMYMLO-HNNXBMFYSA-N 0 2 326.437 1.730 20 0 EDADLN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)N(C1CC1)C1CCCC1 ZINC000827016208 594624097 /nfs/dbraw/zinc/62/40/97/594624097.db2.gz MCPYXVIVYMYMLO-HNNXBMFYSA-N 0 2 326.437 1.730 20 0 EDADLN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000827017503 594624467 /nfs/dbraw/zinc/62/44/67/594624467.db2.gz YBIYMHPYNDQAMC-BZUAXINKSA-N 0 2 340.464 1.978 20 0 EDADLN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000827017503 594624469 /nfs/dbraw/zinc/62/44/69/594624469.db2.gz YBIYMHPYNDQAMC-BZUAXINKSA-N 0 2 340.464 1.978 20 0 EDADLN O=C([O-])N(CC(=O)Nc1ccccc1C[NH+]1CCOCC1)CC1CC1 ZINC000831468326 594636299 /nfs/dbraw/zinc/63/62/99/594636299.db2.gz GKMIKXNHLUWDIN-UHFFFAOYSA-N 0 2 347.415 1.847 20 0 EDADLN CCCc1c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[nH]c(C)c1C(=O)[O-] ZINC000829555659 594639084 /nfs/dbraw/zinc/63/90/84/594639084.db2.gz FUMLZUZOZAIQBL-SNVBAGLBSA-N 0 2 330.388 1.984 20 0 EDADLN CCCc1c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)[nH]c(C)c1C(=O)[O-] ZINC000829555659 594639086 /nfs/dbraw/zinc/63/90/86/594639086.db2.gz FUMLZUZOZAIQBL-SNVBAGLBSA-N 0 2 330.388 1.984 20 0 EDADLN Cc1cc(C(=O)N2CC[C@H]3CSC[C@@H]3C2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000827155951 594648728 /nfs/dbraw/zinc/64/87/28/594648728.db2.gz VEIFDRWMMTWOCR-UWVGGRQHSA-N 0 2 346.412 1.570 20 0 EDADLN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2cnc(-c3ccccc3)[nH]2)CC1 ZINC000827375262 594666240 /nfs/dbraw/zinc/66/62/40/594666240.db2.gz RZTPPUDVVHBUCO-ZDUSSCGKSA-N 0 2 342.399 1.698 20 0 EDADLN O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC[C@@H](c3[nH]cc[nH+]3)C1)C2 ZINC000831580188 594685153 /nfs/dbraw/zinc/68/51/53/594685153.db2.gz GGNLUEXUSWSZJS-RLAWYHOSSA-N 0 2 347.419 1.972 20 0 EDADLN O=C([O-])N1CC[NH+](CCNC(=O)c2ccc(F)c(F)c2F)CC1 ZINC000831689136 594692840 /nfs/dbraw/zinc/69/28/40/594692840.db2.gz KWVSZTIYYSLEEX-UHFFFAOYSA-N 0 2 331.294 1.129 20 0 EDADLN O=C([O-])N1CC2(C1)CC(=O)N(C[N@@H+]1CCC[C@H]1c1ccccn1)C2 ZINC000831859070 594707747 /nfs/dbraw/zinc/70/77/47/594707747.db2.gz RJRGDYLNOPPYGZ-AWEZNQCLSA-N 0 2 330.388 1.388 20 0 EDADLN O=C([O-])N1CC2(C1)CC(=O)N(C[N@H+]1CCC[C@H]1c1ccccn1)C2 ZINC000831859070 594707748 /nfs/dbraw/zinc/70/77/48/594707748.db2.gz RJRGDYLNOPPYGZ-AWEZNQCLSA-N 0 2 330.388 1.388 20 0 EDADLN COc1cc(C(=O)[O-])cc(NC(=O)NCCCn2cc[nH+]c2)c1OC ZINC000831904436 594710378 /nfs/dbraw/zinc/71/03/78/594710378.db2.gz WRPABVIXLPJTFP-UHFFFAOYSA-N 0 2 348.359 1.810 20 0 EDADLN COc1ccc(C(=O)N2CC[NH+](C/C=C(\C)C(=O)[O-])CC2)c(OC)c1 ZINC000832162149 594731328 /nfs/dbraw/zinc/73/13/28/594731328.db2.gz DSZGDJCZWVZSAV-AWNIVKPZSA-N 0 2 348.399 1.493 20 0 EDADLN COc1ccc(C(=O)NC(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)cc1 ZINC000832169778 594731930 /nfs/dbraw/zinc/73/19/30/594731930.db2.gz KQCKDSVLZDSKKQ-UHFFFAOYSA-N 0 2 348.399 1.528 20 0 EDADLN COc1ccc(CCNC(=O)Cn2cc(C(=O)[O-])[nH+]c2C)cc1OC ZINC000832299682 594741212 /nfs/dbraw/zinc/74/12/12/594741212.db2.gz KOLZASJZPJLQQN-UHFFFAOYSA-N 0 2 347.371 1.266 20 0 EDADLN O=C([O-])NCc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)o1 ZINC000832697620 594769783 /nfs/dbraw/zinc/76/97/83/594769783.db2.gz IDYGRYIRXPFTSK-UHFFFAOYSA-N 0 2 344.371 1.972 20 0 EDADLN CONC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000832753408 594774102 /nfs/dbraw/zinc/77/41/02/594774102.db2.gz MLBMRPVJQVMTCD-UHFFFAOYSA-N 0 2 345.321 1.713 20 0 EDADLN CONC(=O)CNC(=O)C1(Cc2cccc(OC)c2)CCCCC1 ZINC000832753633 594774328 /nfs/dbraw/zinc/77/43/28/594774328.db2.gz SASDXRAQPZLCHJ-UHFFFAOYSA-N 0 2 334.416 1.982 20 0 EDADLN CO[N-]C(=O)CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000832757476 594774474 /nfs/dbraw/zinc/77/44/74/594774474.db2.gz HIQCSPHIPMARQX-ZDUSSCGKSA-N 0 2 334.420 1.287 20 0 EDADLN CONC(=O)CNC(=O)c1cc(NC(=O)CC(C)C)ccc1Cl ZINC000832766411 594775259 /nfs/dbraw/zinc/77/52/59/594775259.db2.gz IFPZMPYCBMHAKU-UHFFFAOYSA-N 0 2 341.795 1.732 20 0 EDADLN CONC(=O)CNC(=O)CSc1ccc(Br)cc1C ZINC000832779633 594776168 /nfs/dbraw/zinc/77/61/68/594776168.db2.gz WWDPIRGVGGTPSO-UHFFFAOYSA-N 0 2 347.234 1.643 20 0 EDADLN O=C([O-])Nc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000832828530 594779594 /nfs/dbraw/zinc/77/95/94/594779594.db2.gz HNABREDRWVFEOR-HNNXBMFYSA-N 0 2 333.388 1.713 20 0 EDADLN Cc1cc(C(=O)N(CC[NH+]2CCOCC2)CC(=O)[O-])ccc1Cl ZINC000832860424 594781687 /nfs/dbraw/zinc/78/16/87/594781687.db2.gz XUXKWEXYPLALHA-UHFFFAOYSA-N 0 2 340.807 1.507 20 0 EDADLN Cc1cc(S(=O)(=O)N2CCC[C@H](n3cc[nH+]c3)C2)ccc1C(=O)[O-] ZINC000832901681 594783943 /nfs/dbraw/zinc/78/39/43/594783943.db2.gz GYOXNXICFUXMLZ-ZDUSSCGKSA-N 0 2 349.412 1.916 20 0 EDADLN Cc1cccc(C[NH+]2CCN(C(=O)CS[C@@H](C)C(=O)[O-])CC2)c1 ZINC000832967613 594787855 /nfs/dbraw/zinc/78/78/55/594787855.db2.gz JCCKISWYLZIYSR-AWEZNQCLSA-N 0 2 336.457 1.846 20 0 EDADLN Cn1c(-c2cnccn2)nn(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1=S ZINC000833037679 594793210 /nfs/dbraw/zinc/79/32/10/594793210.db2.gz NTJLECFLQAYBHC-JTQLQIEISA-N 0 2 334.405 1.162 20 0 EDADLN Cn1c(-c2cnccn2)nn(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c1=S ZINC000833037679 594793211 /nfs/dbraw/zinc/79/32/11/594793211.db2.gz NTJLECFLQAYBHC-JTQLQIEISA-N 0 2 334.405 1.162 20 0 EDADLN Cn1ccc(N2CCC[C@@H]([NH2+][C@@H](C(=O)[O-])c3ccccc3F)C2=O)n1 ZINC000833054924 594794650 /nfs/dbraw/zinc/79/46/50/594794650.db2.gz CPZWGTXPPMMNDE-UKRRQHHQSA-N 0 2 346.362 1.470 20 0 EDADLN O=C([O-])c1sccc1NC(=O)C[N@H+]1CCSC[C@H]1CCO ZINC000833109370 594798849 /nfs/dbraw/zinc/79/88/49/594798849.db2.gz WVTGQELXGWLDCH-SECBINFHSA-N 0 2 330.431 1.185 20 0 EDADLN O=C([O-])c1sccc1NC(=O)C[N@@H+]1CCSC[C@H]1CCO ZINC000833109370 594798850 /nfs/dbraw/zinc/79/88/50/594798850.db2.gz WVTGQELXGWLDCH-SECBINFHSA-N 0 2 330.431 1.185 20 0 EDADLN O=C([O-])C[C@H]1CN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCO1 ZINC000833218399 594806517 /nfs/dbraw/zinc/80/65/17/594806517.db2.gz VHXVYAAKNLNIDW-HNNXBMFYSA-N 0 2 329.356 1.247 20 0 EDADLN O=C([O-])CN(CC[NH+]1CCOCC1)Cn1cc(-c2ccccc2)cn1 ZINC000833248667 594813520 /nfs/dbraw/zinc/81/35/20/594813520.db2.gz WIGQCCINHDGNSN-UHFFFAOYSA-N 0 2 344.415 1.226 20 0 EDADLN O=C([O-])N1CC(NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000833278558 594819822 /nfs/dbraw/zinc/81/98/22/594819822.db2.gz VKDVUIFNLPEABS-DAXSKMNVSA-N 0 2 344.415 1.389 20 0 EDADLN O=C([O-])c1coc(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000833340487 594830356 /nfs/dbraw/zinc/83/03/56/594830356.db2.gz VJZOXQLPYOLKNO-CQSZACIVSA-N 0 2 336.388 1.581 20 0 EDADLN O=C([O-])c1coc(C[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 ZINC000833340487 594830357 /nfs/dbraw/zinc/83/03/57/594830357.db2.gz VJZOXQLPYOLKNO-CQSZACIVSA-N 0 2 336.388 1.581 20 0 EDADLN O=C([O-])c1sccc1C[NH+]1CCN(C(=O)c2cccnc2)CC1 ZINC000833348110 594831478 /nfs/dbraw/zinc/83/14/78/594831478.db2.gz AEQUJMWDADINOA-UHFFFAOYSA-N 0 2 331.397 1.799 20 0 EDADLN C[C@@H](C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1)[NH+]1CCSCC1 ZINC000833406532 594842424 /nfs/dbraw/zinc/84/24/24/594842424.db2.gz NKAMNIHHKMDHRN-GWCFXTLKSA-N 0 2 327.377 1.932 20 0 EDADLN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000833405244 594842542 /nfs/dbraw/zinc/84/25/42/594842542.db2.gz VMULJVVSSOZEBC-BXKDBHETSA-N 0 2 348.321 1.245 20 0 EDADLN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000833405244 594842544 /nfs/dbraw/zinc/84/25/44/594842544.db2.gz VMULJVVSSOZEBC-BXKDBHETSA-N 0 2 348.321 1.245 20 0 EDADLN C[C@@H](C(=O)Nc1cccnc1Cl)[NH+]1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833412654 594843969 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O=C([O-])N1CCc2c1cccc2NC(=O)N1CCn2cc[nH+]c2C1 ZINC000831793325 594703551 /nfs/dbraw/zinc/70/35/51/594703551.db2.gz JDNDWYIBGSSSTO-UHFFFAOYSA-N 0 2 327.344 1.971 20 0 EDADLN CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCc2nn[nH]n2)CC1 ZINC000831869165 594708293 /nfs/dbraw/zinc/70/82/93/594708293.db2.gz QSFWGVYXXLROPZ-HNNXBMFYSA-N 0 2 346.410 1.567 20 0 EDADLN O=C([O-])N1CC[C@](F)(C(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000831893849 594709610 /nfs/dbraw/zinc/70/96/10/594709610.db2.gz DFEZZNADFOOTCK-OAHLLOKOSA-N 0 2 341.408 1.484 20 0 EDADLN O=C([O-])N1CCC[C@@H](CNc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000831986442 594716703 /nfs/dbraw/zinc/71/67/03/594716703.db2.gz RNKUNCGUAJDYKJ-AWEZNQCLSA-N 0 2 337.424 1.017 20 0 EDADLN COc1ccc(-c2noc(C[NH2+][C@H](C(=O)[O-])C(C)C)n2)c(OC)c1 ZINC000832139041 594729602 /nfs/dbraw/zinc/72/96/02/594729602.db2.gz WWZDMLOIJIXXQR-AWEZNQCLSA-N 0 2 335.360 1.953 20 0 EDADLN O=C([O-])N[C@H]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000832337770 594743474 /nfs/dbraw/zinc/74/34/74/594743474.db2.gz DHGUKMASXUEJMX-CVEARBPZSA-N 0 2 349.406 1.906 20 0 EDADLN O=C([O-])NC1CC[NH+](CC(=O)Nc2ccc(N3CCCC3)nc2)CC1 ZINC000832386960 594746555 /nfs/dbraw/zinc/74/65/55/594746555.db2.gz UJWAFYLWJCYNDC-UHFFFAOYSA-N 0 2 347.419 1.352 20 0 EDADLN COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000832436030 594750495 /nfs/dbraw/zinc/75/04/95/594750495.db2.gz PEIDBCBLJPCMAK-HWPZZCPQSA-N 0 2 340.351 1.529 20 0 EDADLN COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000832436030 594750496 /nfs/dbraw/zinc/75/04/96/594750496.db2.gz PEIDBCBLJPCMAK-HWPZZCPQSA-N 0 2 340.351 1.529 20 0 EDADLN O=C([O-])NCC1(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CCCC1 ZINC000832442838 594750847 /nfs/dbraw/zinc/75/08/47/594750847.db2.gz BNSZDNNFBAHYOW-UHFFFAOYSA-N 0 2 343.387 1.712 20 0 EDADLN O=C([O-])NC[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc2ccccc2s1 ZINC000832574261 594760577 /nfs/dbraw/zinc/76/05/77/594760577.db2.gz ZUDQLLITNYDNDX-JTQLQIEISA-N 0 2 334.401 1.967 20 0 EDADLN O=C([O-])NC[C@@H]1CCC[N@H+]1CC(=O)Nc1nc2ccccc2s1 ZINC000832574261 594760578 /nfs/dbraw/zinc/76/05/78/594760578.db2.gz ZUDQLLITNYDNDX-JTQLQIEISA-N 0 2 334.401 1.967 20 0 EDADLN CONC(=O)CNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 ZINC000832753415 594774240 /nfs/dbraw/zinc/77/42/40/594774240.db2.gz MUYIOEBCRQENSC-CQSZACIVSA-N 0 2 325.752 1.017 20 0 EDADLN CONC(=O)CNC(=O)c1ccccc1SCc1c(C)noc1C ZINC000832773258 594775666 /nfs/dbraw/zinc/77/56/66/594775666.db2.gz HUSXIHBXULYQAC-UHFFFAOYSA-N 0 2 349.412 1.991 20 0 EDADLN Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC(c3nc[nH]n3)CC2)c(C)c1C(=O)[O-] ZINC000832843008 594780507 /nfs/dbraw/zinc/78/05/07/594780507.db2.gz OITHVWHYKIWPTA-NSHDSACASA-N 0 2 345.403 1.899 20 0 EDADLN Cc1cccc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)c1C(=O)[O-] ZINC000832972823 594788193 /nfs/dbraw/zinc/78/81/93/594788193.db2.gz NLNAUJKDQWBEEK-UHFFFAOYSA-N 0 2 347.396 1.733 20 0 EDADLN Cc1oc(S(=O)(=O)N2CCN(C)c3[nH+]cccc32)cc1C(=O)[O-] ZINC000833028297 594792658 /nfs/dbraw/zinc/79/26/58/594792658.db2.gz KZDMPSGXQVZXLH-UHFFFAOYSA-N 0 2 337.357 1.326 20 0 EDADLN O=C([O-])c1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccn1 ZINC000833147987 594801269 /nfs/dbraw/zinc/80/12/69/594801269.db2.gz LFRRGMGQTRRAKT-UHFFFAOYSA-N 0 2 326.356 1.705 20 0 EDADLN O=C([O-])[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F ZINC000833167821 594802384 /nfs/dbraw/zinc/80/23/84/594802384.db2.gz QHCGQYJLVWXBLU-QWRGUYRKSA-N 0 2 334.269 1.704 20 0 EDADLN O=C([O-])C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000833209285 594804968 /nfs/dbraw/zinc/80/49/68/594804968.db2.gz DTQYLRCMQDTNEX-AWEZNQCLSA-N 0 2 348.403 1.067 20 0 EDADLN O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c[nH]1 ZINC000833304020 594823338 /nfs/dbraw/zinc/82/33/38/594823338.db2.gz KNWXCGWNGWWHRH-UHFFFAOYSA-N 0 2 332.341 1.699 20 0 EDADLN O=C([O-])c1nn(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c2ccccc21 ZINC000833347338 594831551 /nfs/dbraw/zinc/83/15/51/594831551.db2.gz ZATSJYGESBUCRO-HUUCEWRRSA-N 0 2 331.372 1.572 20 0 EDADLN O=C([O-])c1nn(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c2ccccc21 ZINC000833347338 594831554 /nfs/dbraw/zinc/83/15/54/594831554.db2.gz ZATSJYGESBUCRO-HUUCEWRRSA-N 0 2 331.372 1.572 20 0 EDADLN CC(=O)N1CCc2sc(C(=O)Cn3cc(C(=O)[O-])[nH+]c3C)cc2C1 ZINC000833392609 594838713 /nfs/dbraw/zinc/83/87/13/594838713.db2.gz WUDRPXSGYUYHDW-UHFFFAOYSA-N 0 2 347.396 1.739 20 0 EDADLN C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccccc2C(=O)[O-])CC1 ZINC000833405330 594842296 /nfs/dbraw/zinc/84/22/96/594842296.db2.gz ZKKYFIBBPLEKEC-HNNXBMFYSA-N 0 2 345.443 1.513 20 0 EDADLN CC(C)(CNC(=O)NCC1(C(=O)[O-])CCCCC1)[NH+]1CCOCC1 ZINC000833457222 594851349 /nfs/dbraw/zinc/85/13/49/594851349.db2.gz CHSFGRJUSBTWMK-UHFFFAOYSA-N 0 2 341.452 1.432 20 0 EDADLN CC(C)C(=O)N1CC[NH+](Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC1 ZINC000833464082 594852674 /nfs/dbraw/zinc/85/26/74/594852674.db2.gz YFCJXUAQJBXJBP-CQSZACIVSA-N 0 2 334.416 1.839 20 0 EDADLN CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(O)(C(=O)[O-])CC2)n1 ZINC000833489204 594857933 /nfs/dbraw/zinc/85/79/33/594857933.db2.gz FZJDXNWIRBDMIU-LLVKDONJSA-N 0 2 327.381 1.215 20 0 EDADLN CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000833504111 594861131 /nfs/dbraw/zinc/86/11/31/594861131.db2.gz MQJMQVMTBCZAOA-AWEZNQCLSA-N 0 2 332.360 1.218 20 0 EDADLN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1c(C(C)C)nn(C)c1N(C)C ZINC000833506356 594861333 /nfs/dbraw/zinc/86/13/33/594861333.db2.gz YOBFFKNLDMPAQQ-AWEZNQCLSA-N 0 2 340.468 1.920 20 0 EDADLN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(C(C)C)nn(C)c1N(C)C ZINC000833506356 594861336 /nfs/dbraw/zinc/86/13/36/594861336.db2.gz YOBFFKNLDMPAQQ-AWEZNQCLSA-N 0 2 340.468 1.920 20 0 EDADLN CC[C@@H]1C[C@H](CC(=O)NS(=O)(=O)c2cnn(C(C)C)c2)CCO1 ZINC000835826933 594879614 /nfs/dbraw/zinc/87/96/14/594879614.db2.gz INPFQKZCFUTHOX-CHWSQXEVSA-N 0 2 343.449 1.864 20 0 EDADLN COCCOC1(CNC(=O)c2cccc(Cl)c2O)CCOCC1 ZINC000833586975 594880852 /nfs/dbraw/zinc/88/08/52/594880852.db2.gz PNIQMQFTZUDRNE-UHFFFAOYSA-N 0 2 343.807 1.988 20 0 EDADLN C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833588758 594881254 /nfs/dbraw/zinc/88/12/54/594881254.db2.gz RDXVTAHPJKQRNT-VHSXEESVSA-N 0 2 330.381 1.237 20 0 EDADLN C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833588758 594881255 /nfs/dbraw/zinc/88/12/55/594881255.db2.gz RDXVTAHPJKQRNT-VHSXEESVSA-N 0 2 330.381 1.237 20 0 EDADLN C[C@@H]1C[C@@H](C(=O)N(CC[NH+]2CCOCC2)CC(=O)[O-])CC(C)(C)C1 ZINC000833592165 594881848 /nfs/dbraw/zinc/88/18/48/594881848.db2.gz JYOVKIYCJMQOET-HUUCEWRRSA-N 0 2 340.464 1.694 20 0 EDADLN C[C@H]1C[C@@H](C(=O)N(CC[NH+]2CCOCC2)CC(=O)[O-])CC(C)(C)C1 ZINC000833592166 594881954 /nfs/dbraw/zinc/88/19/54/594881954.db2.gz JYOVKIYCJMQOET-LSDHHAIUSA-N 0 2 340.464 1.694 20 0 EDADLN COC1(CC(=O)NS(=O)(=O)c2cncc(OC(C)C)c2)CCC1 ZINC000835852264 594882472 /nfs/dbraw/zinc/88/24/72/594882472.db2.gz WMSGHJQIAZLFHW-UHFFFAOYSA-N 0 2 342.417 1.633 20 0 EDADLN CC(C)Oc1cncc(S(=O)(=O)NC(=O)CC[C@H]2CCOC2)c1 ZINC000835851289 594882501 /nfs/dbraw/zinc/88/25/01/594882501.db2.gz JSNIYRWKZXHEDC-LBPRGKRZSA-N 0 2 342.417 1.490 20 0 EDADLN CO[C@@](C)(C(=O)NCCC1N=NC(=S)O1)c1ccccc1F ZINC000841423612 594897519 /nfs/dbraw/zinc/89/75/19/594897519.db2.gz NLVYQMVESWHQDG-CQSZACIVSA-N 0 2 325.365 1.718 20 0 EDADLN CO[C@@](C)(C(=O)NCCc1n[nH]c(=S)o1)c1ccccc1F ZINC000841423612 594897520 /nfs/dbraw/zinc/89/75/20/594897520.db2.gz NLVYQMVESWHQDG-CQSZACIVSA-N 0 2 325.365 1.718 20 0 EDADLN COc1ccc2c(c1)C[C@@H](C(=O)NCCc1n[nH]c(=S)o1)CO2 ZINC000841426948 594898412 /nfs/dbraw/zinc/89/84/12/594898412.db2.gz UVURASHKDXRVFY-SNVBAGLBSA-N 0 2 335.385 1.277 20 0 EDADLN COc1ccc2c(c1)C[C@@H](C(=O)NCCC1N=NC(=S)O1)CO2 ZINC000841426948 594898413 /nfs/dbraw/zinc/89/84/13/594898413.db2.gz UVURASHKDXRVFY-SNVBAGLBSA-N 0 2 335.385 1.277 20 0 EDADLN COc1ccc2oc(C)c(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)[O-])c2c1 ZINC000833734935 594918315 /nfs/dbraw/zinc/91/83/15/594918315.db2.gz MEJYATOTLUWOMX-ZDUSSCGKSA-N 0 2 343.339 1.899 20 0 EDADLN COc1ccc2oc(C)c(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)[O-])c2c1 ZINC000833734935 594918317 /nfs/dbraw/zinc/91/83/17/594918317.db2.gz MEJYATOTLUWOMX-ZDUSSCGKSA-N 0 2 343.339 1.899 20 0 EDADLN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000833837418 594945243 /nfs/dbraw/zinc/94/52/43/594945243.db2.gz HZCXNLXVEGAGLA-IVMMDQJWSA-N 0 2 346.431 1.513 20 0 EDADLN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000833837418 594945244 /nfs/dbraw/zinc/94/52/44/594945244.db2.gz HZCXNLXVEGAGLA-IVMMDQJWSA-N 0 2 346.431 1.513 20 0 EDADLN CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC[C@@H]1NC(=O)[O-] ZINC000833850380 594948876 /nfs/dbraw/zinc/94/88/76/594948876.db2.gz XLEKSJLFSJYNMG-KGLIPLIRSA-N 0 2 349.435 1.725 20 0 EDADLN Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)[O-])C1 ZINC000833954611 594973186 /nfs/dbraw/zinc/97/31/86/594973186.db2.gz LJNZZCRPASHVOB-PBFPGSCMSA-N 0 2 334.420 1.953 20 0 EDADLN NC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(NC(=O)[O-])nc1 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O=C([O-])c1ccoc1C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000739289257 599965468 /nfs/dbraw/zinc/96/54/68/599965468.db2.gz HINMNISDTVXARO-UHFFFAOYSA-N 0 2 349.431 1.544 20 0 EDADLN O=C([O-])Cc1csc(NC(=O)CN2CCC(n3cc[nH+]c3)CC2)n1 ZINC000738632034 600318570 /nfs/dbraw/zinc/31/85/70/600318570.db2.gz LOLKAJDBMOJRCK-UHFFFAOYSA-N 0 2 349.416 1.242 20 0 EDADLN Cn1ncc2c1nc[nH+]c2NC[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000739062311 600390122 /nfs/dbraw/zinc/39/01/22/600390122.db2.gz BRQJPKFQKYPANP-LLVKDONJSA-N 0 2 327.344 1.424 20 0 EDADLN C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000321619079 600513416 /nfs/dbraw/zinc/51/34/16/600513416.db2.gz UDZVJLCJHLVAQZ-SNVBAGLBSA-N 0 2 341.795 1.880 20 0 EDADLN Cc1nc2c(c(=O)n(C[N@H+](C)C3CCC3)n2C)c(C)c1CCC(=O)[O-] ZINC000738872939 601092412 /nfs/dbraw/zinc/09/24/12/601092412.db2.gz WWMLOEBPVZFWQK-UHFFFAOYSA-N 0 2 346.431 1.811 20 0 EDADLN Cc1nc2c(c(=O)n(C[N@@H+](C)C3CCC3)n2C)c(C)c1CCC(=O)[O-] ZINC000738872939 601092415 /nfs/dbraw/zinc/09/24/15/601092415.db2.gz WWMLOEBPVZFWQK-UHFFFAOYSA-N 0 2 346.431 1.811 20 0 EDADLN O=C([O-])COc1cccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000327675134 601108379 /nfs/dbraw/zinc/10/83/79/601108379.db2.gz HQUYXFKPGLCMGF-AWEZNQCLSA-N 0 2 349.387 1.088 20 0 EDADLN C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[O-])CCO1 ZINC000739182080 601953952 /nfs/dbraw/zinc/95/39/52/601953952.db2.gz MCUKRXBLPPIMDL-QPSCCSFWSA-N 0 2 339.436 1.134 20 0 EDADLN C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[O-])CCO1 ZINC000739182080 601953954 /nfs/dbraw/zinc/95/39/54/601953954.db2.gz MCUKRXBLPPIMDL-QPSCCSFWSA-N 0 2 339.436 1.134 20 0 EDADLN C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000739105798 602432248 /nfs/dbraw/zinc/43/22/48/602432248.db2.gz YYZAAIITNODRNB-BZNIZROVSA-N 0 2 333.392 1.329 20 0 EDADLN CC(C)CNC(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)[O-] ZINC000738830209 602491395 /nfs/dbraw/zinc/49/13/95/602491395.db2.gz NRBJVSXVZQSMBL-INIZCTEOSA-N 0 2 344.415 1.882 20 0 EDADLN CCCN(C)C(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)[O-] ZINC000739343026 602507838 /nfs/dbraw/zinc/50/78/38/602507838.db2.gz ADJXAOAPWOZBFD-INIZCTEOSA-N 0 2 344.415 1.979 20 0 EDADLN C[C@H](CNC(=O)[O-])[N@H+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000738939500 602555895 /nfs/dbraw/zinc/55/58/95/602555895.db2.gz NHVZCGXFNNNMIL-LLVKDONJSA-N 0 2 348.403 1.338 20 0 EDADLN C[C@H](CNC(=O)[O-])[N@@H+](C)CC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000738939500 602555898 /nfs/dbraw/zinc/55/58/98/602555898.db2.gz NHVZCGXFNNNMIL-LLVKDONJSA-N 0 2 348.403 1.338 20 0 EDADLN C[C@H](CNC(=O)[O-])N(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000738930593 602622277 /nfs/dbraw/zinc/62/22/77/602622277.db2.gz NGCLFGVRJILECO-GFCCVEGCSA-N 0 2 331.376 1.670 20 0 EDADLN COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739888298 602766807 /nfs/dbraw/zinc/76/68/07/602766807.db2.gz CPTMCHDGBLMHCP-STQMWFEESA-N 0 2 335.404 1.920 20 0 EDADLN COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739888298 602766809 /nfs/dbraw/zinc/76/68/09/602766809.db2.gz CPTMCHDGBLMHCP-STQMWFEESA-N 0 2 335.404 1.920 20 0 EDADLN C[C@@H](NC(=O)c1ccc(NC(=O)[O-])cc1O)[C@@H](C)[NH+]1CCOCC1 ZINC000739021895 602859933 /nfs/dbraw/zinc/85/99/33/602859933.db2.gz HLQUGSPHYUDHBG-GHMZBOCLSA-N 0 2 337.376 1.321 20 0 EDADLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCN(C(=O)[O-])C2)CC1 ZINC000739059551 603260918 /nfs/dbraw/zinc/26/09/18/603260918.db2.gz KSKCCPARYQOLLQ-ZFWWWQNUSA-N 0 2 347.419 1.222 20 0 EDADLN O=C(NC1CN(C(=O)C(F)C(F)(F)F)C1)c1cc2c(o1)CCCC2 ZINC000993305223 695932758 /nfs/dbraw/zinc/93/27/58/695932758.db2.gz FNBXZGMRNDMDPJ-GFCCVEGCSA-N 0 2 348.296 1.999 20 0 EDADLN O=C(NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1)c1cc2c(o1)CCCC2 ZINC000993305223 695932760 /nfs/dbraw/zinc/93/27/60/695932760.db2.gz FNBXZGMRNDMDPJ-GFCCVEGCSA-N 0 2 348.296 1.999 20 0 EDADLN C[C@H]1[C@@H](NC(=O)C2CCC3(CC3)CC2)CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000993588348 696265303 /nfs/dbraw/zinc/26/53/03/696265303.db2.gz JCAAUCVSQWLEEC-JSGCOSHPSA-N 0 2 347.463 1.950 20 0 EDADLN C[C@H]1[C@@H](NC(=O)C2CCC3(CC3)CC2)CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000993588348 696265304 /nfs/dbraw/zinc/26/53/04/696265304.db2.gz JCAAUCVSQWLEEC-JSGCOSHPSA-N 0 2 347.463 1.950 20 0 EDADLN CC(C)c1[nH]ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000993720188 696322987 /nfs/dbraw/zinc/32/29/87/696322987.db2.gz PVEDKJBNKHTVCQ-WCQYABFASA-N 0 2 346.435 1.745 20 0 EDADLN CC(C)c1[nH]ccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000993720188 696322990 /nfs/dbraw/zinc/32/29/90/696322990.db2.gz PVEDKJBNKHTVCQ-WCQYABFASA-N 0 2 346.435 1.745 20 0 EDADLN CCCc1[nH]ccc1C(=O)N[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000993703794 696337234 /nfs/dbraw/zinc/33/72/34/696337234.db2.gz NECUHZNNIAUWOT-AAEUAGOBSA-N 0 2 346.435 1.574 20 0 EDADLN CCCc1[nH]ccc1C(=O)N[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000993703794 696337236 /nfs/dbraw/zinc/33/72/36/696337236.db2.gz NECUHZNNIAUWOT-AAEUAGOBSA-N 0 2 346.435 1.574 20 0 EDADLN C[C@H]1[C@@H](NC(=O)C2CCC=CCC2)CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000994447520 696872851 /nfs/dbraw/zinc/87/28/51/696872851.db2.gz BSKFYADJZYMHAE-JSGCOSHPSA-N 0 2 333.436 1.726 20 0 EDADLN C[C@H]1[C@@H](NC(=O)C2CCC=CCC2)CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000994447520 696872855 /nfs/dbraw/zinc/87/28/55/696872855.db2.gz BSKFYADJZYMHAE-JSGCOSHPSA-N 0 2 333.436 1.726 20 0 EDADLN C[C@H]1[C@@H](NC(=O)c2ccc(CF)cc2)CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000994498950 696936517 /nfs/dbraw/zinc/93/65/17/696936517.db2.gz VBIMOCZEBWYPHL-FZMZJTMJSA-N 0 2 347.394 1.763 20 0 EDADLN C[C@H]1[C@@H](NC(=O)c2ccc(CF)cc2)CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000994498950 696936519 /nfs/dbraw/zinc/93/65/19/696936519.db2.gz VBIMOCZEBWYPHL-FZMZJTMJSA-N 0 2 347.394 1.763 20 0 EDADLN Cc1nc(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)c(C)s1 ZINC000994522723 697019210 /nfs/dbraw/zinc/01/92/10/697019210.db2.gz PTGYWMMFWXKDIG-VIFPVBQESA-N 0 2 339.314 1.601 20 0 EDADLN Cc1nc(C(=O)NC2CN(C(=O)[C@H](F)C(F)(F)F)C2)c(C)s1 ZINC000994522723 697019211 /nfs/dbraw/zinc/01/92/11/697019211.db2.gz PTGYWMMFWXKDIG-VIFPVBQESA-N 0 2 339.314 1.601 20 0 EDADLN C[C@H](CCc1cccn1C)NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000920554420 697445946 /nfs/dbraw/zinc/44/59/46/697445946.db2.gz LMDRTPPDSIJQHK-CHWSQXEVSA-N 0 2 346.435 1.759 20 0 EDADLN CS[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)C1 ZINC000920684770 697462406 /nfs/dbraw/zinc/46/24/06/697462406.db2.gz CRRRDWVOXRWJJE-OUAUKWLOSA-N 0 2 325.438 1.683 20 0 EDADLN CCOc1cccnc1C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000995316122 697687540 /nfs/dbraw/zinc/68/75/40/697687540.db2.gz KTOHDXPESZDWSP-LLVKDONJSA-N 0 2 349.284 1.321 20 0 EDADLN CCOc1cccnc1C(=O)NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000995316122 697687541 /nfs/dbraw/zinc/68/75/41/697687541.db2.gz KTOHDXPESZDWSP-LLVKDONJSA-N 0 2 349.284 1.321 20 0 EDADLN Cc1cnoc1C(=O)N(C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000938646809 698407407 /nfs/dbraw/zinc/40/74/07/698407407.db2.gz LWMUTQNVXUAODD-WPRPVWTQSA-N 0 2 337.273 1.556 20 0 EDADLN Cc1cnoc1C(=O)N(C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000938646809 698407411 /nfs/dbraw/zinc/40/74/11/698407411.db2.gz LWMUTQNVXUAODD-WPRPVWTQSA-N 0 2 337.273 1.556 20 0 EDADLN CN(C(=O)c1cnns1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000938646956 698407895 /nfs/dbraw/zinc/40/78/95/698407895.db2.gz OITUOOKMVYDQQJ-HTRCEHHLSA-N 0 2 340.302 1.111 20 0 EDADLN CN(C(=O)c1cnns1)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000938646956 698407898 /nfs/dbraw/zinc/40/78/98/698407898.db2.gz OITUOOKMVYDQQJ-HTRCEHHLSA-N 0 2 340.302 1.111 20 0 EDADLN CCc1cncc(C(=O)N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC000941550717 701577798 /nfs/dbraw/zinc/57/77/98/701577798.db2.gz MPZBYSZPHRHPPR-NEPJUHHUSA-N 0 2 347.312 1.875 20 0 EDADLN CCc1cncc(C(=O)N[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC000941550717 701577799 /nfs/dbraw/zinc/57/77/99/701577799.db2.gz MPZBYSZPHRHPPR-NEPJUHHUSA-N 0 2 347.312 1.875 20 0 EDADLN Cc1cc(C(=O)N[C@@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)CC2(C)C)oc1C ZINC000940679823 700841573 /nfs/dbraw/zinc/84/15/73/700841573.db2.gz BLFKSCGGTDLGMX-CYBMUJFWSA-N 0 2 347.419 1.751 20 0 EDADLN Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)CC2(C)C)oc1C ZINC000940679823 700841575 /nfs/dbraw/zinc/84/15/75/700841575.db2.gz BLFKSCGGTDLGMX-CYBMUJFWSA-N 0 2 347.419 1.751 20 0 EDADLN CO[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1NC(=O)C1CCCC1 ZINC000940979602 701020192 /nfs/dbraw/zinc/02/01/92/701020192.db2.gz NWJZCDDGEKEBCX-GMTAPVOTSA-N 0 2 340.317 1.419 20 0 EDADLN CO[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1NC(=O)C1CCCC1 ZINC000940979602 701020194 /nfs/dbraw/zinc/02/01/94/701020194.db2.gz NWJZCDDGEKEBCX-GMTAPVOTSA-N 0 2 340.317 1.419 20 0 EDADLN CCc1nocc1C(=O)N[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000941009481 701051217 /nfs/dbraw/zinc/05/12/17/701051217.db2.gz DGWINKSTOAKLJT-LBPRGKRZSA-N 0 2 348.407 1.091 20 0 EDADLN CCc1nocc1C(=O)N[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC000941009481 701051220 /nfs/dbraw/zinc/05/12/20/701051220.db2.gz DGWINKSTOAKLJT-LBPRGKRZSA-N 0 2 348.407 1.091 20 0 EDADLN CC(C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1nc(=O)c2sccc2[nH]1 ZINC001032283039 701347649 /nfs/dbraw/zinc/34/76/49/701347649.db2.gz NDOMNSKPHUBNHA-QWRGUYRKSA-N 0 2 332.429 1.838 20 0 EDADLN CC(C)[C@H](F)C(=O)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000941291597 701450068 /nfs/dbraw/zinc/45/00/68/701450068.db2.gz QQDKGIRQAMDOEU-VHSXEESVSA-N 0 2 330.297 1.942 20 0 EDADLN CC(C)[C@H](F)C(=O)N1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000941291597 701450069 /nfs/dbraw/zinc/45/00/69/701450069.db2.gz QQDKGIRQAMDOEU-VHSXEESVSA-N 0 2 330.297 1.942 20 0 EDADLN Cc1cc(C(=O)NCC2CN(Cc3n[nH]c(=O)[nH]3)C2)ccc1Cl ZINC001031947248 701500691 /nfs/dbraw/zinc/50/06/91/701500691.db2.gz FGUMJTAEKIZJDG-UHFFFAOYSA-N 0 2 335.795 1.334 20 0 EDADLN CCc1cc(C(=O)N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)no1 ZINC000941877103 702029563 /nfs/dbraw/zinc/02/95/63/702029563.db2.gz FAACVZWEDDQCBH-XCBNKYQSSA-N 0 2 337.273 1.468 20 0 EDADLN CCc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)no1 ZINC000941877103 702029568 /nfs/dbraw/zinc/02/95/68/702029568.db2.gz FAACVZWEDDQCBH-XCBNKYQSSA-N 0 2 337.273 1.468 20 0 EDADLN O=C(NC[C@H]1CN(C(=O)C(F)C(F)(F)F)CCO1)c1ccoc1 ZINC000944483761 702099679 /nfs/dbraw/zinc/09/96/79/702099679.db2.gz YKIVQXKYOVTWIO-VHSXEESVSA-N 0 2 338.257 1.137 20 0 EDADLN O=C(NC[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCO1)c1ccoc1 ZINC000944483761 702099687 /nfs/dbraw/zinc/09/96/87/702099687.db2.gz YKIVQXKYOVTWIO-VHSXEESVSA-N 0 2 338.257 1.137 20 0 EDADLN Cc1ccc2[nH]cc(C(=O)NCC3CN(Cc4n[nH]c(=O)[nH]4)C3)c2c1 ZINC001032210472 702417322 /nfs/dbraw/zinc/41/73/22/702417322.db2.gz IIBJILVJTNQMPN-UHFFFAOYSA-N 0 2 340.387 1.162 20 0 EDADLN O=C(N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1)c1ccc(=O)[nH]c1 ZINC000942402495 702903454 /nfs/dbraw/zinc/90/34/54/702903454.db2.gz SMXXZBFUWMFMIP-PSASIEDQSA-N 0 2 335.257 1.018 20 0 EDADLN O=C(N[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1)c1ccc(=O)[nH]c1 ZINC000942402495 702903455 /nfs/dbraw/zinc/90/34/55/702903455.db2.gz SMXXZBFUWMFMIP-PSASIEDQSA-N 0 2 335.257 1.018 20 0 EDADLN Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C(F)C(F)(F)F)n1 ZINC000996876049 703152654 /nfs/dbraw/zinc/15/26/54/703152654.db2.gz CTFLIPHJPTZJKY-KATARQTJSA-N 0 2 348.300 1.480 20 0 EDADLN Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H](F)C(F)(F)F)n1 ZINC000996876049 703152656 /nfs/dbraw/zinc/15/26/56/703152656.db2.gz CTFLIPHJPTZJKY-KATARQTJSA-N 0 2 348.300 1.480 20 0 EDADLN Cc1n[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCCCO2)c1[O-] ZINC001032355429 703202820 /nfs/dbraw/zinc/20/28/20/703202820.db2.gz CHJWSGXVAFRTFV-MELADBBJSA-N 0 2 334.420 1.282 20 0 EDADLN Cc1n[nH]c(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC[C@H]2CCCCO2)c1[O-] ZINC001032355429 703202822 /nfs/dbraw/zinc/20/28/22/703202822.db2.gz CHJWSGXVAFRTFV-MELADBBJSA-N 0 2 334.420 1.282 20 0 EDADLN CC1(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[nH]2)CCCCCC1 ZINC001032450531 703626535 /nfs/dbraw/zinc/62/65/35/703626535.db2.gz STHRFCHIAUJTDK-STQMWFEESA-N 0 2 333.436 1.656 20 0 EDADLN CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC001004208149 703968546 /nfs/dbraw/zinc/96/85/46/703968546.db2.gz NEMHSSDRDWCPDK-SFHVURJKSA-N 0 2 347.507 1.684 20 0 EDADLN C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[nH]1)c1cccs1 ZINC001032621912 705684755 /nfs/dbraw/zinc/68/47/55/705684755.db2.gz DNLJCJQNIIHEDR-DCAQKATOSA-N 0 2 333.417 1.161 20 0 EDADLN O=C(NC1CN(C(=O)C(F)C(F)(F)F)C1)c1cc2c([nH]1)CCCC2 ZINC000999677986 707213772 /nfs/dbraw/zinc/21/37/72/707213772.db2.gz NLIHXRPWKSTTIL-GFCCVEGCSA-N 0 2 347.312 1.735 20 0 EDADLN O=C(NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1)c1cc2c([nH]1)CCCC2 ZINC000999677986 707213776 /nfs/dbraw/zinc/21/37/76/707213776.db2.gz NLIHXRPWKSTTIL-GFCCVEGCSA-N 0 2 347.312 1.735 20 0 EDADLN Cc1ccccc1C(=O)N(C)C1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005059880 707253193 /nfs/dbraw/zinc/25/31/93/707253193.db2.gz BDRWKSLGXSARSH-UHFFFAOYSA-N 0 2 329.404 1.555 20 0 EDADLN COCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001033299186 707443274 /nfs/dbraw/zinc/44/32/74/707443274.db2.gz AIDPYTDPAZXYLZ-QGZVFWFLSA-N 0 2 328.416 1.665 20 0 EDADLN Cc1conc1C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]2C1 ZINC000946801090 707456659 /nfs/dbraw/zinc/45/66/59/707456659.db2.gz YPMIEYPGSXRKCK-GASCZTMLSA-N 0 2 343.431 1.619 20 0 EDADLN O=C(C=C1CCC1)N1CCOC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001061640420 707551400 /nfs/dbraw/zinc/55/14/00/707551400.db2.gz ZKZZESVNDHVJLC-CMPLNLGQSA-N 0 2 338.301 1.341 20 0 EDADLN O=C(C=C1CCC1)N1CCOC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001061640420 707551404 /nfs/dbraw/zinc/55/14/04/707551404.db2.gz ZKZZESVNDHVJLC-CMPLNLGQSA-N 0 2 338.301 1.341 20 0 EDADLN Cc1n[nH]c(C(=O)N2CC[C@H]3C[N@@H+](C/C=C/Cl)C[C@H]3CC2)c1[O-] ZINC000946555752 708040248 /nfs/dbraw/zinc/04/02/48/708040248.db2.gz AQMSMPNJIFIZDO-QPGWLVPRSA-N 0 2 338.839 1.960 20 0 EDADLN Cc1n[nH]c(C(=O)N2CC[C@H]3C[N@H+](C/C=C/Cl)C[C@H]3CC2)c1[O-] ZINC000946555752 708040250 /nfs/dbraw/zinc/04/02/50/708040250.db2.gz AQMSMPNJIFIZDO-QPGWLVPRSA-N 0 2 338.839 1.960 20 0 EDADLN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(F)C(F)(F)F)c1cocn1 ZINC001001664299 708187880 /nfs/dbraw/zinc/18/78/80/708187880.db2.gz FFIZIRLZGRLYJT-XFFJFQIUSA-N 0 2 335.257 1.437 20 0 EDADLN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](F)C(F)(F)F)c1cocn1 ZINC001001664299 708187882 /nfs/dbraw/zinc/18/78/82/708187882.db2.gz FFIZIRLZGRLYJT-XFFJFQIUSA-N 0 2 335.257 1.437 20 0 EDADLN CN(C(=O)c1ccc(F)s1)[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001033700915 708527164 /nfs/dbraw/zinc/52/71/64/708527164.db2.gz FBBCDRAOVQQHPF-QMMMGPOBSA-N 0 2 325.369 1.057 20 0 EDADLN CCc1ccnc(C(=O)NCC2CN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC001002081974 708616840 /nfs/dbraw/zinc/61/68/40/708616840.db2.gz BPCWCGYKLJWLMT-GFCCVEGCSA-N 0 2 347.312 1.733 20 0 EDADLN CCc1ccnc(C(=O)NCC2CN(C(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC001002081974 708616843 /nfs/dbraw/zinc/61/68/43/708616843.db2.gz BPCWCGYKLJWLMT-GFCCVEGCSA-N 0 2 347.312 1.733 20 0 EDADLN Cc1cccc(C(=O)N(C)C2CC[NH+](Cc3n[nH]c(=O)[n-]3)CC2)c1F ZINC001005422474 708939012 /nfs/dbraw/zinc/93/90/12/708939012.db2.gz VKVSZYYHOLUBRN-UHFFFAOYSA-N 0 2 347.394 1.694 20 0 EDADLN CN(C[C@@H]1CCCN1C(=O)C(F)C(F)(F)F)C(=O)c1cc[nH]n1 ZINC001002579627 709128822 /nfs/dbraw/zinc/12/88/22/709128822.db2.gz KQPQLAXOLVACMA-WCBMZHEXSA-N 0 2 336.289 1.373 20 0 EDADLN CN(C[C@@H]1CCCN1C(=O)C(F)C(F)(F)F)C(=O)c1ccn[nH]1 ZINC001002579627 709128824 /nfs/dbraw/zinc/12/88/24/709128824.db2.gz KQPQLAXOLVACMA-WCBMZHEXSA-N 0 2 336.289 1.373 20 0 EDADLN CN(C[C@@H]1CCCN1C(=O)C(F)C(F)(F)F)C(=O)c1cnco1 ZINC001002582680 709131866 /nfs/dbraw/zinc/13/18/66/709131866.db2.gz QNLMRQYZTCKFRA-WPRPVWTQSA-N 0 2 337.273 1.638 20 0 EDADLN CN(C[C@@H]1CCCN1C(=O)[C@H](F)C(F)(F)F)C(=O)c1cnco1 ZINC001002582680 709131868 /nfs/dbraw/zinc/13/18/68/709131868.db2.gz QNLMRQYZTCKFRA-WPRPVWTQSA-N 0 2 337.273 1.638 20 0 EDADLN CCN(C(=O)[C@@H]1CCC(C)(C)C1)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001033952331 709133199 /nfs/dbraw/zinc/13/31/99/709133199.db2.gz NQGSQEGDLVBCBQ-CHWSQXEVSA-N 0 2 335.452 1.759 20 0 EDADLN CCN(C(=O)[C@@H]1CCC(C)(C)C1)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001033952331 709133201 /nfs/dbraw/zinc/13/32/01/709133201.db2.gz NQGSQEGDLVBCBQ-CHWSQXEVSA-N 0 2 335.452 1.759 20 0 EDADLN CCN(C(=O)[C@@H]1Cc2ccccc21)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001033942402 709149330 /nfs/dbraw/zinc/14/93/30/709149330.db2.gz MBINJJBUIJRHMZ-DZGCQCFKSA-N 0 2 341.415 1.273 20 0 EDADLN CCN(C(=O)[C@@H]1Cc2ccccc21)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001033942402 709149333 /nfs/dbraw/zinc/14/93/33/709149333.db2.gz MBINJJBUIJRHMZ-DZGCQCFKSA-N 0 2 341.415 1.273 20 0 EDADLN O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ncccn2)[N@@H+]1Cc1ccccc1 ZINC000702342035 709429553 /nfs/dbraw/zinc/42/95/53/709429553.db2.gz SCMDVTLAYCHPJB-CABCVRRESA-N 0 2 340.383 1.211 20 0 EDADLN O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ncccn2)[N@H+]1Cc1ccccc1 ZINC000702342035 709429555 /nfs/dbraw/zinc/42/95/55/709429555.db2.gz SCMDVTLAYCHPJB-CABCVRRESA-N 0 2 340.383 1.211 20 0 EDADLN CCc1ccc(C(=O)N[C@H]2CCCCN(Cc3n[nH]c(=O)[nH]3)C2)s1 ZINC001034298623 709732791 /nfs/dbraw/zinc/73/27/91/709732791.db2.gz WZRWUVXEZYDWSX-NSHDSACASA-N 0 2 349.460 1.919 20 0 EDADLN O=C(NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1)c1ccnc(C2CC2)c1 ZINC001003251774 710175250 /nfs/dbraw/zinc/17/52/50/710175250.db2.gz CBIVSEIKKVROMA-UHFFFAOYSA-N 0 2 342.403 1.177 20 0 EDADLN CCCCC(=O)NC[C@H]1COCCN1C(=O)C(F)C(F)(F)F ZINC001061306124 710510924 /nfs/dbraw/zinc/51/09/24/710510924.db2.gz GZUDDCQINHIPIV-ONGXEEELSA-N 0 2 328.306 1.421 20 0 EDADLN CCCCC(=O)NC[C@H]1COCCN1C(=O)[C@H](F)C(F)(F)F ZINC001061306124 710510927 /nfs/dbraw/zinc/51/09/27/710510927.db2.gz GZUDDCQINHIPIV-ONGXEEELSA-N 0 2 328.306 1.421 20 0 EDADLN CCc1nc(N2CCC[C@H]2CNC(=O)c2[nH]nc(C)c2[O-])cc(C)[nH+]1 ZINC001061334272 710698335 /nfs/dbraw/zinc/69/83/35/710698335.db2.gz BOIZRNCNKRXKBE-LBPRGKRZSA-N 0 2 344.419 1.483 20 0 EDADLN O=C(NC[C@H]1CCC(F)(F)C1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000922306030 710832141 /nfs/dbraw/zinc/83/21/41/710832141.db2.gz FJTMCFRBOQRHLL-VIFPVBQESA-N 0 2 329.351 1.835 20 0 EDADLN Cc1cc(C(=O)NC2CC[NH+](Cc3n[nH]c(=O)[n-]3)CC2)sc1C ZINC001004107116 711467189 /nfs/dbraw/zinc/46/71/89/711467189.db2.gz DJIIJFDAYVIHPT-UHFFFAOYSA-N 0 2 335.433 1.583 20 0 EDADLN CNC(=O)c1ccccc1NS(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000352190069 290634784 /nfs/dbraw/zinc/63/47/84/290634784.db2.gz OOYXMBPYBZGXPA-TXEJJXNPSA-N 0 2 325.434 1.681 20 0 EDADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000559257739 306252326 /nfs/dbraw/zinc/25/23/26/306252326.db2.gz XPMBGZPNZWUSSJ-LLVKDONJSA-N 0 2 329.360 1.293 20 0 EDADLN COC[C@@](C)(O)CNC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000559980060 306260092 /nfs/dbraw/zinc/26/00/92/306260092.db2.gz YBMXRYTWTHURSO-HNNXBMFYSA-N 0 2 339.779 1.359 20 0 EDADLN CC(C)(C)c1nc(=NC(=O)N2CCn3c(nnc3C3CC3)C2)s[nH]1 ZINC000329340115 539431007 /nfs/dbraw/zinc/43/10/07/539431007.db2.gz RIMJADATYOOLMG-UHFFFAOYSA-N 0 2 347.448 1.774 20 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CSCC(=O)N1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC000944845280 704692518 /nfs/dbraw/zinc/69/25/18/704692518.db2.gz LXZICPRMZFJDTD-SNVBAGLBSA-N 0 2 342.358 1.701 20 0 EDADLN CCc1cc(C(=O)N(C)C2CC([NH2+]Cc3ncnn3C(C)C)C2)n[nH]1 ZINC000998482507 705911904 /nfs/dbraw/zinc/91/19/04/705911904.db2.gz MYKCNNXDVSCYLW-UHFFFAOYSA-N 0 2 345.451 1.537 20 0 EDADLN CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nnsc2Cl)C1 ZINC000998550640 705987140 /nfs/dbraw/zinc/98/71/40/705987140.db2.gz NWCAJIXXPJVAAU-CBINBANVSA-N 0 2 343.884 1.365 20 0 EDADLN COC1CCC(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC000998647583 706080484 /nfs/dbraw/zinc/08/04/84/706080484.db2.gz XUABJIDQZYOJHI-RFBVYIQQSA-N 0 2 340.317 1.419 20 0 EDADLN COC1CCC(C(=O)NC2CN(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC000998647583 706080488 /nfs/dbraw/zinc/08/04/88/706080488.db2.gz XUABJIDQZYOJHI-RFBVYIQQSA-N 0 2 340.317 1.419 20 0 EDADLN O=C(Cc1ccc(F)cc1)NC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC000999513578 707012187 /nfs/dbraw/zinc/01/21/87/707012187.db2.gz 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O=C([C@H](F)C(F)(F)F)N1CCCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC000940486523 700673335 /nfs/dbraw/zinc/67/33/35/700673335.db2.gz DYKPFGBMXIGMCM-MNOVXSKESA-N 0 2 340.317 1.374 20 0 EDADLN Cc1cc(C(=O)N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c(C)nn1 ZINC000940658320 700819902 /nfs/dbraw/zinc/81/99/02/700819902.db2.gz RDZPMMDOHQXZLJ-MWLCHTKSSA-N 0 2 348.300 1.325 20 0 EDADLN Cc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c(C)nn1 ZINC000940658320 700819904 /nfs/dbraw/zinc/81/99/04/700819904.db2.gz RDZPMMDOHQXZLJ-MWLCHTKSSA-N 0 2 348.300 1.325 20 0 EDADLN Cc1cc(C(=O)N[C@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)CC2(C)C)oc1C ZINC000940679824 700841614 /nfs/dbraw/zinc/84/16/14/700841614.db2.gz BLFKSCGGTDLGMX-ZDUSSCGKSA-N 0 2 347.419 1.751 20 0 EDADLN Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)CC2(C)C)oc1C ZINC000940679824 700841616 /nfs/dbraw/zinc/84/16/16/700841616.db2.gz BLFKSCGGTDLGMX-ZDUSSCGKSA-N 0 2 347.419 1.751 20 0 EDADLN O=C(c1cc[nH]c(=O)c1)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000940728320 700862140 /nfs/dbraw/zinc/86/21/40/700862140.db2.gz PEPRXNXLMATXOQ-LLVKDONJSA-N 0 2 349.284 1.362 20 0 EDADLN O=C(c1cc[nH]c(=O)c1)N1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000940728320 700862141 /nfs/dbraw/zinc/86/21/41/700862141.db2.gz PEPRXNXLMATXOQ-LLVKDONJSA-N 0 2 349.284 1.362 20 0 EDADLN O=C(Cc1cccnc1)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000940762258 700884099 /nfs/dbraw/zinc/88/40/99/700884099.db2.gz UVLOZLSSHUSCLH-ZDUSSCGKSA-N 0 2 347.312 1.585 20 0 EDADLN O=C(Cc1cccnc1)N1CCCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000940762258 700884100 /nfs/dbraw/zinc/88/41/00/700884100.db2.gz UVLOZLSSHUSCLH-ZDUSSCGKSA-N 0 2 347.312 1.585 20 0 EDADLN O=C(C(F)C(F)(F)F)N1CCN(C2CN(C/C=C/Cl)C2)CC1 ZINC000941416528 701530333 /nfs/dbraw/zinc/53/03/33/701530333.db2.gz CSIAGRKBKPARHX-FMBMQGQPSA-N 0 2 343.752 1.468 20 0 EDADLN O=C(NC[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCO1)C1CCCC1 ZINC000944437042 701929245 /nfs/dbraw/zinc/92/92/45/701929245.db2.gz JTKUZOWTHQEFHX-MNOVXSKESA-N 0 2 340.317 1.421 20 0 EDADLN O=C(NC[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCO1)C1CCCC1 ZINC000944437042 701929248 /nfs/dbraw/zinc/92/92/48/701929248.db2.gz JTKUZOWTHQEFHX-MNOVXSKESA-N 0 2 340.317 1.421 20 0 EDADLN COc1cccc(C(=O)N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC000942387121 702892214 /nfs/dbraw/zinc/89/22/14/702892214.db2.gz GRFQJQRKTASESC-ZYHUDNBSSA-N 0 2 348.296 1.926 20 0 EDADLN COc1cccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC000942387121 702892217 /nfs/dbraw/zinc/89/22/17/702892217.db2.gz GRFQJQRKTASESC-ZYHUDNBSSA-N 0 2 348.296 1.926 20 0 EDADLN O=C(N[C@H]1CCCC(F)(F)C1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000921543786 703416071 /nfs/dbraw/zinc/41/60/71/703416071.db2.gz GTNIIBSONAZMSC-ZJUUUORDSA-N 0 2 329.351 1.977 20 0 EDADLN CCc1nocc1CN1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001032416406 703487684 /nfs/dbraw/zinc/48/76/84/703487684.db2.gz DYKLTYPWNKSEIR-JBLDHEPKSA-N 0 2 335.301 1.923 20 0 EDADLN Cc1cc(=O)[nH]cc1C(=O)NCC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001004218126 704015102 /nfs/dbraw/zinc/01/51/02/704015102.db2.gz XRHHEEUXRNUEDH-NSHDSACASA-N 0 2 349.284 1.184 20 0 EDADLN Cc1cc(=O)[nH]cc1C(=O)NCC1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001004218126 704015108 /nfs/dbraw/zinc/01/51/08/704015108.db2.gz XRHHEEUXRNUEDH-NSHDSACASA-N 0 2 349.284 1.184 20 0 EDADLN Cc1c(F)cccc1C(=O)N(C)[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001033110498 704345091 /nfs/dbraw/zinc/34/50/91/704345091.db2.gz JUVYFOPLFPAJMH-LLVKDONJSA-N 0 2 333.367 1.304 20 0 EDADLN Cc1ccc(C(=O)NNC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)o1 ZINC000084380434 704657567 /nfs/dbraw/zinc/65/75/67/704657567.db2.gz AKHZDLDLLVYMCQ-UHFFFAOYSA-N 0 2 345.330 1.907 20 0 EDADLN CO[C@@H](C)C(=O)N1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC000944877188 704735683 /nfs/dbraw/zinc/73/56/83/704735683.db2.gz MJYXPKGDSQPVCN-VHSXEESVSA-N 0 2 340.317 1.373 20 0 EDADLN CO[C@@H](C)C(=O)N1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC000944877188 704735684 /nfs/dbraw/zinc/73/56/84/704735684.db2.gz MJYXPKGDSQPVCN-VHSXEESVSA-N 0 2 340.317 1.373 20 0 EDADLN CN(C(=O)c1cscc1Cl)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001043006676 705928035 /nfs/dbraw/zinc/92/80/35/705928035.db2.gz MUGBYFQZNASSOY-UHFFFAOYSA-N 0 2 327.797 1.182 20 0 EDADLN COc1cc(C(=O)N(C)[C@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)C2)ccc1C ZINC001033241871 707181351 /nfs/dbraw/zinc/18/13/51/707181351.db2.gz DEPKGWXABAMYON-ZDUSSCGKSA-N 0 2 345.403 1.174 20 0 EDADLN COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)ccc1C ZINC001033241871 707181354 /nfs/dbraw/zinc/18/13/54/707181354.db2.gz DEPKGWXABAMYON-ZDUSSCGKSA-N 0 2 345.403 1.174 20 0 EDADLN CCCc1occc1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[nH]1 ZINC001032732807 707742878 /nfs/dbraw/zinc/74/28/78/707742878.db2.gz RUNNVHBRQDWDQP-QWRGUYRKSA-N 0 2 331.376 1.155 20 0 EDADLN C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1)c1ccsc1 ZINC001033409058 707771650 /nfs/dbraw/zinc/77/16/50/707771650.db2.gz HBJAVSNVVQTVIZ-JQWIXIFHSA-N 0 2 335.433 1.408 20 0 EDADLN C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1)c1ccsc1 ZINC001033409058 707771655 /nfs/dbraw/zinc/77/16/55/707771655.db2.gz HBJAVSNVVQTVIZ-JQWIXIFHSA-N 0 2 335.433 1.408 20 0 EDADLN CCc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)C2)cc1 ZINC001033472843 707960995 /nfs/dbraw/zinc/96/09/95/707960995.db2.gz DYIWPHAXVJGJAU-OAHLLOKOSA-N 0 2 343.431 1.348 20 0 EDADLN CCc1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)cc1 ZINC001033472843 707960998 /nfs/dbraw/zinc/96/09/98/707960998.db2.gz DYIWPHAXVJGJAU-OAHLLOKOSA-N 0 2 343.431 1.348 20 0 EDADLN O=C(c1cccc(C2CC2)c1)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[nH]1 ZINC001032807253 708094684 /nfs/dbraw/zinc/09/46/84/708094684.db2.gz FLGDQQRLWDBZPT-GJZGRUSLSA-N 0 2 339.399 1.487 20 0 EDADLN CN(C(=O)[C@H]1CCC[C@@H](F)C1)C1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001005375150 708810059 /nfs/dbraw/zinc/81/00/59/708810059.db2.gz IYKCXQOQGPQIAB-NWDGAFQWSA-N 0 2 339.415 1.461 20 0 EDADLN Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H](Nc3cc[nH+]c(C)n3)C2)c1[O-] ZINC001061078217 708869821 /nfs/dbraw/zinc/86/98/21/708869821.db2.gz JSQJSGRWVIVSEX-NEPJUHHUSA-N 0 2 330.392 1.675 20 0 EDADLN Cc1cc(C)c(C(=O)N(C)C2CC[NH+](Cc3n[nH]c(=O)[n-]3)CC2)s1 ZINC001005458797 709081307 /nfs/dbraw/zinc/08/13/07/709081307.db2.gz WAFSZIKDUYCVIM-UHFFFAOYSA-N 0 2 349.460 1.925 20 0 EDADLN CN(C[C@@H]1CCCN1C(=O)C(F)C(F)(F)F)C(=O)c1ccon1 ZINC001002578133 709127391 /nfs/dbraw/zinc/12/73/91/709127391.db2.gz FKXLCNJNOXDEHE-WCBMZHEXSA-N 0 2 337.273 1.638 20 0 EDADLN CN(C[C@@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F)C(=O)c1ccon1 ZINC001002578133 709127394 /nfs/dbraw/zinc/12/73/94/709127394.db2.gz FKXLCNJNOXDEHE-WCBMZHEXSA-N 0 2 337.273 1.638 20 0 EDADLN CCN(C(=O)c1cc(C(C)C)no1)[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001033978439 709184920 /nfs/dbraw/zinc/18/49/20/709184920.db2.gz XSZKUVXTSAUHTG-NSHDSACASA-N 0 2 348.407 1.358 20 0 EDADLN CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001033983745 709193035 /nfs/dbraw/zinc/19/30/35/709193035.db2.gz WYFZHBRJUQLFSF-HZSPNIEDSA-N 0 2 333.436 1.369 20 0 EDADLN CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001033983745 709193038 /nfs/dbraw/zinc/19/30/38/709193038.db2.gz WYFZHBRJUQLFSF-HZSPNIEDSA-N 0 2 333.436 1.369 20 0 EDADLN O=C(NCC1CN(C(=O)C(F)C(F)(F)F)C1)c1cnc(C2CC2)o1 ZINC001002832313 709443366 /nfs/dbraw/zinc/44/33/66/709443366.db2.gz LSCDAFKDYSITHX-JTQLQIEISA-N 0 2 349.284 1.641 20 0 EDADLN O=C(NCC1CN(C(=O)[C@H](F)C(F)(F)F)C1)c1cnc(C2CC2)o1 ZINC001002832313 709443367 /nfs/dbraw/zinc/44/33/67/709443367.db2.gz LSCDAFKDYSITHX-JTQLQIEISA-N 0 2 349.284 1.641 20 0 EDADLN O=C(Cc1ncc[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(F)C(F)(F)F ZINC001005524883 709577014 /nfs/dbraw/zinc/57/70/14/709577014.db2.gz MTVDHZLHEYWRNK-KZFFXBSXSA-N 0 2 348.300 1.101 20 0 EDADLN C[C@H](C(=O)N[C@H]1CCCC[N@H+](Cc2n[nH]c(=O)[n-]2)C1)c1cccs1 ZINC001034396671 709935264 /nfs/dbraw/zinc/93/52/64/709935264.db2.gz DCMHTLGMSIRLEZ-RYUDHWBXSA-N 0 2 349.460 1.846 20 0 EDADLN C[C@H](C(=O)N[C@H]1CCCC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1)c1cccs1 ZINC001034396671 709935266 /nfs/dbraw/zinc/93/52/66/709935266.db2.gz DCMHTLGMSIRLEZ-RYUDHWBXSA-N 0 2 349.460 1.846 20 0 EDADLN CCc1nc(C(=O)N[C@@H]2CCCCN(Cc3n[nH]c(=O)[nH]3)C2)c(C)o1 ZINC001034441319 710019090 /nfs/dbraw/zinc/01/90/90/710019090.db2.gz FRNWIOIEJXVVHD-LLVKDONJSA-N 0 2 348.407 1.154 20 0 EDADLN O=C(CC1CC(F)(F)C1)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001003178942 710094712 /nfs/dbraw/zinc/09/47/12/710094712.db2.gz CEHOCQLBXMVTBS-UHFFFAOYSA-N 0 2 329.351 1.026 20 0 EDADLN Cc1cc(C(=O)N[C@H]2CCCCN(Cc3n[nH]c(=O)[nH]3)C2)sc1C ZINC001034524346 710173031 /nfs/dbraw/zinc/17/30/31/710173031.db2.gz SUKHVHFQKUFSQA-LBPRGKRZSA-N 0 2 349.460 1.973 20 0 EDADLN COc1ccnc(C(=O)NCC2CN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC001003538188 710407671 /nfs/dbraw/zinc/40/76/71/710407671.db2.gz NEVRBYFCLVIEPB-NSHDSACASA-N 0 2 349.284 1.179 20 0 EDADLN COc1ccnc(C(=O)NCC2CN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC001003538188 710407672 /nfs/dbraw/zinc/40/76/72/710407672.db2.gz NEVRBYFCLVIEPB-NSHDSACASA-N 0 2 349.284 1.179 20 0 EDADLN 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ZINC000872167159 596818839 /nfs/dbraw/zinc/81/88/39/596818839.db2.gz DYJRLIJSNNIIDI-OKILXGFUSA-N 0 2 346.427 1.615 20 0 EDADLN CC(C)Nc1nc(NCCO)nc(N2CC[C@H]3CSC[C@@H]3C2)[nH+]1 ZINC000866201062 596826137 /nfs/dbraw/zinc/82/61/37/596826137.db2.gz KRMZHRQSOHBKQN-RYUDHWBXSA-N 0 2 338.481 1.285 20 0 EDADLN CN1CCn2nc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)cc2C1 ZINC000872411740 596900206 /nfs/dbraw/zinc/90/02/06/596900206.db2.gz RYIMLLAOMFCTAR-UHFFFAOYSA-N 0 2 346.334 1.547 20 0 EDADLN CCn1ncc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C ZINC000872423032 596902735 /nfs/dbraw/zinc/90/27/35/596902735.db2.gz ZDCQJZKXCFCCSI-UHFFFAOYSA-N 0 2 334.401 1.298 20 0 EDADLN CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCC(=O)C1(C)CCCC1 ZINC000872508724 596942252 /nfs/dbraw/zinc/94/22/52/596942252.db2.gz JHTYALFNYIVORP-HXUWFJFHSA-N 0 2 338.495 1.867 20 0 EDADLN C[C@H]1C[N@H+](CN2CCC3(CCC3)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000872595279 596981206 /nfs/dbraw/zinc/98/12/06/596981206.db2.gz DIXYENUTVHNULP-IRXDYDNUSA-N 0 2 334.508 1.304 20 0 EDADLN CCCN(C(=O)C1=NN(c2ccccc2)CC1=O)[C@@H](C)C(=O)OC ZINC000888610147 597075093 /nfs/dbraw/zinc/07/50/93/597075093.db2.gz DGDPNKKCVVZLIH-LBPRGKRZSA-N 0 2 331.372 1.992 20 0 EDADLN COc1cc2c(cc1OC)CN(CC(=O)N1CC[C@@H](CF)C1)CC2 ZINC000881670808 597674448 /nfs/dbraw/zinc/67/44/48/597674448.db2.gz RRKHIAGWEKCAQB-ZDUSSCGKSA-N 0 2 336.407 1.880 20 0 EDADLN COC(=O)[C@H](CC1CCOCC1)NC(=O)c1c(O)cc(F)cc1F ZINC000881739510 597698824 /nfs/dbraw/zinc/69/88/24/597698824.db2.gz YSOXBJBXBJBSTQ-LBPRGKRZSA-N 0 2 343.326 1.759 20 0 EDADLN COC(=O)[C@H](NC(=O)c1cc(F)c(O)c(F)c1)C1CCOCC1 ZINC000881762516 597712194 /nfs/dbraw/zinc/71/21/94/597712194.db2.gz IILYUYMPQKYGGI-GFCCVEGCSA-N 0 2 329.299 1.368 20 0 EDADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(C)n(C)n3)cc2[nH]c1=S ZINC000133538027 597975019 /nfs/dbraw/zinc/97/50/19/597975019.db2.gz QUBSUVOQYUPAAN-UHFFFAOYSA-N 0 2 343.412 1.999 20 0 EDADLN CCc1nn(C)cc1S(=O)(=O)Nc1ccc2c(c1)C[C@H](OC)C2 ZINC000882713805 598030490 /nfs/dbraw/zinc/03/04/90/598030490.db2.gz OBVNQCWCPSFQGI-CQSZACIVSA-N 0 2 335.429 1.897 20 0 EDADLN CN(C)[S@](C)(=O)=NS(=O)(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000882722843 598033333 /nfs/dbraw/zinc/03/33/33/598033333.db2.gz GDXZKLJOITZEAY-OAQYLSRUSA-N 0 2 349.478 1.921 20 0 EDADLN CN(C)[S@](C)(=O)=NS(=O)(=O)Nc1ccccc1C(F)F ZINC000882746219 598042514 /nfs/dbraw/zinc/04/25/14/598042514.db2.gz YCTKHZURLVCGBE-LJQANCHMSA-N 0 2 327.378 1.855 20 0 EDADLN CN1C(=O)COc2cccc(NS(=O)(=O)C[C@@H]3CCCCO3)c21 ZINC000882802567 598063064 /nfs/dbraw/zinc/06/30/64/598063064.db2.gz IOKGAAYOYRDLAK-NSHDSACASA-N 0 2 340.401 1.353 20 0 EDADLN CCOc1cccc(Cn2cc(CNC(=O)C(F)(F)F)nn2)n1 ZINC000881333395 598128053 /nfs/dbraw/zinc/12/80/53/598128053.db2.gz JSQRYZLSQUXSIJ-UHFFFAOYSA-N 0 2 329.282 1.299 20 0 EDADLN C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000388693210 600324271 /nfs/dbraw/zinc/32/42/71/600324271.db2.gz WTXNZTNVEDAHQP-PWSUYJOCSA-N 0 2 344.458 1.694 20 0 EDADLN C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000388693210 600324273 /nfs/dbraw/zinc/32/42/73/600324273.db2.gz WTXNZTNVEDAHQP-PWSUYJOCSA-N 0 2 344.458 1.694 20 0 EDADLN Cc1oc(C[N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1C(=O)[O-] ZINC000738966841 600501564 /nfs/dbraw/zinc/50/15/64/600501564.db2.gz LBZRKTCEXYTLKW-LLVKDONJSA-N 0 2 334.294 1.881 20 0 EDADLN Cc1oc(C[N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1C(=O)[O-] ZINC000738966841 600501568 /nfs/dbraw/zinc/50/15/68/600501568.db2.gz LBZRKTCEXYTLKW-LLVKDONJSA-N 0 2 334.294 1.881 20 0 EDADLN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738629050 601978054 /nfs/dbraw/zinc/97/80/54/601978054.db2.gz HCXMOHAMWWJXOG-RISCZKNCSA-N 0 2 348.403 1.187 20 0 EDADLN C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738629050 601978057 /nfs/dbraw/zinc/97/80/57/601978057.db2.gz HCXMOHAMWWJXOG-RISCZKNCSA-N 0 2 348.403 1.187 20 0 EDADLN C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)[O-])[NH+]1CCOCC1 ZINC000738917954 602387539 /nfs/dbraw/zinc/38/75/39/602387539.db2.gz ZUGJTPVIOIWNDI-TUVASFSCSA-N 0 2 339.436 1.134 20 0 EDADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)CN(C)C(=O)[O-])C[C@H](C)O1 ZINC000739185979 602569531 /nfs/dbraw/zinc/56/95/31/602569531.db2.gz CJXAEIYOQLODAS-STQMWFEESA-N 0 2 335.404 1.844 20 0 EDADLN C[C@H](CNC(=O)[O-])N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000738923606 602616743 /nfs/dbraw/zinc/61/67/43/602616743.db2.gz ABYPIFCJZXTPMZ-GFCCVEGCSA-N 0 2 335.408 1.348 20 0 EDADLN C[C@@H](NC(=O)[O-])C1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000739011365 602705019 /nfs/dbraw/zinc/70/50/19/602705019.db2.gz SXYKBACYCCJETB-CYBMUJFWSA-N 0 2 337.424 1.741 20 0 EDADLN COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739888296 602767044 /nfs/dbraw/zinc/76/70/44/602767044.db2.gz CPTMCHDGBLMHCP-QWHCGFSZSA-N 0 2 335.404 1.920 20 0 EDADLN COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739888296 602767045 /nfs/dbraw/zinc/76/70/45/602767045.db2.gz CPTMCHDGBLMHCP-QWHCGFSZSA-N 0 2 335.404 1.920 20 0 EDADLN CC(C)[C@@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)NC(=O)[O-] ZINC000738783723 602797995 /nfs/dbraw/zinc/79/79/95/602797995.db2.gz FIBVSAYBFCUEEE-CQSZACIVSA-N 0 2 349.435 1.642 20 0 EDADLN C[C@@H]1CN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC[C@@H]1NC(=O)[O-] ZINC000739145289 602826841 /nfs/dbraw/zinc/82/68/41/602826841.db2.gz ZYRRFEMOVRNFMU-CJNGLKHVSA-N 0 2 346.431 1.690 20 0 EDADLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCC(C)(C)NC(=O)[O-])CC1 ZINC000825645142 603444482 /nfs/dbraw/zinc/44/44/82/603444482.db2.gz LXLCJAFORCAJTN-CYBMUJFWSA-N 0 2 349.435 1.516 20 0 EDADLN Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1NC(=O)[O-] ZINC000830199025 605291293 /nfs/dbraw/zinc/29/12/93/605291293.db2.gz SGGTWDKCHRLISJ-AWEZNQCLSA-N 0 2 333.388 1.632 20 0 EDADLN O=C(N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1)c1cc(F)c[nH]1 ZINC000938297894 695570193 /nfs/dbraw/zinc/57/01/93/695570193.db2.gz NAOCOBANILYPAA-CBAPKCEASA-N 0 2 325.237 1.385 20 0 EDADLN O=C(N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1)c1cc(F)c[nH]1 ZINC000938297894 695570197 /nfs/dbraw/zinc/57/01/97/695570197.db2.gz NAOCOBANILYPAA-CBAPKCEASA-N 0 2 325.237 1.385 20 0 EDADLN C[C@H]1[C@@H](NC(=O)CC2=CCCCC2)CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000993154077 695685943 /nfs/dbraw/zinc/68/59/43/695685943.db2.gz KTESUIXFGBDKMB-JSGCOSHPSA-N 0 2 333.436 1.870 20 0 EDADLN C[C@H]1[C@@H](NC(=O)CC2=CCCCC2)CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000993154077 695685945 /nfs/dbraw/zinc/68/59/45/695685945.db2.gz KTESUIXFGBDKMB-JSGCOSHPSA-N 0 2 333.436 1.870 20 0 EDADLN Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H]2C)s1 ZINC000993213572 695815690 /nfs/dbraw/zinc/81/56/90/695815690.db2.gz DGLKUVPMRROPMX-RYUDHWBXSA-N 0 2 349.460 1.972 20 0 EDADLN Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)c3[nH]nc(C)c3[O-])[C@@H]2C)s1 ZINC000993213572 695815694 /nfs/dbraw/zinc/81/56/94/695815694.db2.gz DGLKUVPMRROPMX-RYUDHWBXSA-N 0 2 349.460 1.972 20 0 EDADLN CCc1[nH]ccc1C(=O)N[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000993317520 695962548 /nfs/dbraw/zinc/96/25/48/695962548.db2.gz SZCJZWQJCCMDED-ZWNOBZJWSA-N 0 2 332.408 1.184 20 0 EDADLN CCc1[nH]ccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC000993317520 695962550 /nfs/dbraw/zinc/96/25/50/695962550.db2.gz SZCJZWQJCCMDED-ZWNOBZJWSA-N 0 2 332.408 1.184 20 0 EDADLN C[C@@H]1[C@@H](NC(=O)C2(F)CCCC2)CCCN1Cc1n[nH]c(=O)[nH]1 ZINC000993500754 696180022 /nfs/dbraw/zinc/18/00/22/696180022.db2.gz JFYIZTKMDRMYTC-MNOVXSKESA-N 0 2 325.388 1.262 20 0 EDADLN C[C@H]1[C@H](NC(=O)C2(C3CC3)CCC2)CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000993664764 696295104 /nfs/dbraw/zinc/29/51/04/696295104.db2.gz MNFABMKKUUHFGC-WCQYABFASA-N 0 2 333.436 1.560 20 0 EDADLN C[C@H]1[C@H](NC(=O)C2(C3CC3)CCC2)CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC000993664764 696295105 /nfs/dbraw/zinc/29/51/05/696295105.db2.gz MNFABMKKUUHFGC-WCQYABFASA-N 0 2 333.436 1.560 20 0 EDADLN CCc1ccoc1C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1C ZINC000993794255 696360312 /nfs/dbraw/zinc/36/03/12/696360312.db2.gz WBOOKMHXFXOZOO-JQWIXIFHSA-N 0 2 333.392 1.449 20 0 EDADLN Cc1ccc(F)c(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@H]2C)c1 ZINC000993859963 696402108 /nfs/dbraw/zinc/40/21/08/696402108.db2.gz IPCONXHSKNSHDB-FZMZJTMJSA-N 0 2 347.394 1.741 20 0 EDADLN C[C@@H]1[C@@H](NC(=O)c2coc(C3CC3)n2)CCCN1Cc1n[nH]c(=O)[nH]1 ZINC000993942088 696471606 /nfs/dbraw/zinc/47/16/06/696471606.db2.gz BZJCICULPOJFQF-KOLCDFICSA-N 0 2 346.391 1.159 20 0 EDADLN Cc1nn(C)cc1C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994429580 696849414 /nfs/dbraw/zinc/84/94/14/696849414.db2.gz ZAYIUHPBTWMBEU-WMLDXEAASA-N 0 2 344.463 1.403 20 0 EDADLN CCCc1sc(C(=O)NC2CN(Cc3n[nH]c(=O)[nH]3)C2)cc1CC ZINC001031371574 696975914 /nfs/dbraw/zinc/97/59/14/696975914.db2.gz YENBEUKZXISLGW-UHFFFAOYSA-N 0 2 349.460 1.701 20 0 EDADLN O=C(NCC1CN(Cc2n[nH]c(=O)[nH]2)C1)c1sccc1Cl ZINC001031690324 697530190 /nfs/dbraw/zinc/53/01/90/697530190.db2.gz AQMHSEJNNSWRHT-UHFFFAOYSA-N 0 2 327.797 1.087 20 0 EDADLN O=C(N[C@@H]1CCCCN(C(=O)C(F)C(F)(F)F)C1)c1ccn[nH]1 ZINC000943103711 697678273 /nfs/dbraw/zinc/67/82/73/697678273.db2.gz VTIMSJAWWRIKRT-SCZZXKLOSA-N 0 2 336.289 1.421 20 0 EDADLN O=C(N[C@@H]1CCCCN(C(=O)[C@H](F)C(F)(F)F)C1)c1ccn[nH]1 ZINC000943103711 697678274 /nfs/dbraw/zinc/67/82/74/697678274.db2.gz VTIMSJAWWRIKRT-SCZZXKLOSA-N 0 2 336.289 1.421 20 0 EDADLN Cc1cncc(CC(=O)N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC000938334232 697875091 /nfs/dbraw/zinc/87/50/91/697875091.db2.gz YWAPGOWEPWTIFM-AAEUAGOBSA-N 0 2 347.312 1.550 20 0 EDADLN Cc1cncc(CC(=O)N[C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC000938334232 697875093 /nfs/dbraw/zinc/87/50/93/697875093.db2.gz YWAPGOWEPWTIFM-AAEUAGOBSA-N 0 2 347.312 1.550 20 0 EDADLN Cc1nc(C(=O)N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c(C)o1 ZINC000938521935 698209462 /nfs/dbraw/zinc/20/94/62/698209462.db2.gz KZAMAIKRBIDPCM-WCBMZHEXSA-N 0 2 337.273 1.523 20 0 EDADLN Cc1nc(C(=O)N[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c(C)o1 ZINC000938521935 698209464 /nfs/dbraw/zinc/20/94/64/698209464.db2.gz KZAMAIKRBIDPCM-WCBMZHEXSA-N 0 2 337.273 1.523 20 0 EDADLN Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000938716196 698545384 /nfs/dbraw/zinc/54/53/84/698545384.db2.gz OQOMQEIWSVLOQZ-KWQFWETISA-N 0 2 349.284 1.327 20 0 EDADLN Cc1cc(=O)[nH]cc1C(=O)N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000938716196 698545386 /nfs/dbraw/zinc/54/53/86/698545386.db2.gz OQOMQEIWSVLOQZ-KWQFWETISA-N 0 2 349.284 1.327 20 0 EDADLN O=C(N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1)c1conc1C1CC1 ZINC000938718198 698551716 /nfs/dbraw/zinc/55/17/16/698551716.db2.gz WTRFMPAZBDJENX-GZMMTYOYSA-N 0 2 349.284 1.783 20 0 EDADLN O=C(N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1)c1conc1C1CC1 ZINC000938718198 698551720 /nfs/dbraw/zinc/55/17/20/698551720.db2.gz WTRFMPAZBDJENX-GZMMTYOYSA-N 0 2 349.284 1.783 20 0 EDADLN O=C(NC1CN(C(=O)C(F)C(F)(F)F)C1)c1ccc(F)s1 ZINC000994899123 699240870 /nfs/dbraw/zinc/24/08/70/699240870.db2.gz ARPGPTFUWBUKDK-QMMMGPOBSA-N 0 2 328.262 1.728 20 0 EDADLN O=C(NC1CN(C(=O)[C@H](F)C(F)(F)F)C1)c1ccc(F)s1 ZINC000994899123 699240873 /nfs/dbraw/zinc/24/08/73/699240873.db2.gz ARPGPTFUWBUKDK-QMMMGPOBSA-N 0 2 328.262 1.728 20 0 EDADLN CCc1nc(C[NH2+][C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C)cs1 ZINC000939755111 699906197 /nfs/dbraw/zinc/90/61/97/699906197.db2.gz PMGZQDXNGMIGAW-SWLSCSKDSA-N 0 2 347.488 1.847 20 0 EDADLN C[C@@H](F)CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031876336 700406567 /nfs/dbraw/zinc/40/65/67/700406567.db2.gz SOTLYHZUGAEFTK-RHSMWYFYSA-N 0 2 341.471 1.283 20 0 EDADLN Cc1ocnc1C(=O)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000940432639 700626521 /nfs/dbraw/zinc/62/65/21/700626521.db2.gz YUGPLWXBCZKNOU-SNVBAGLBSA-N 0 2 337.273 1.558 20 0 EDADLN Cc1ocnc1C(=O)N1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000940432639 700626523 /nfs/dbraw/zinc/62/65/23/700626523.db2.gz YUGPLWXBCZKNOU-SNVBAGLBSA-N 0 2 337.273 1.558 20 0 EDADLN Cc1ccncc1C(=O)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000940607357 700763913 /nfs/dbraw/zinc/76/39/13/700763913.db2.gz WMZSDKYFKXJSGS-GFCCVEGCSA-N 0 2 347.312 1.965 20 0 EDADLN Cc1ccncc1C(=O)N1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000940607357 700763915 /nfs/dbraw/zinc/76/39/15/700763915.db2.gz WMZSDKYFKXJSGS-GFCCVEGCSA-N 0 2 347.312 1.965 20 0 EDADLN C[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nnc[nH]1 ZINC000183205834 701548683 /nfs/dbraw/zinc/54/86/83/701548683.db2.gz BUOMTDUUGUBXQD-LURJTMIESA-N 0 2 331.741 1.406 20 0 EDADLN CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2cnc(C)cn2)C1 ZINC001032206132 702129182 /nfs/dbraw/zinc/12/91/82/702129182.db2.gz SJANJIFARFBJGW-KRWDZBQOSA-N 0 2 331.464 1.207 20 0 EDADLN O=C(NC[C@H]1CCCN1C(=O)C(F)C(F)(F)F)c1ccns1 ZINC000944066978 702130405 /nfs/dbraw/zinc/13/04/05/702130405.db2.gz AGVZFMNPFCTGQU-APPZFPTMSA-N 0 2 339.314 1.764 20 0 EDADLN O=C(NC[C@H]1CCCN1C(=O)[C@H](F)C(F)(F)F)c1ccns1 ZINC000944066978 702130410 /nfs/dbraw/zinc/13/04/10/702130410.db2.gz AGVZFMNPFCTGQU-APPZFPTMSA-N 0 2 339.314 1.764 20 0 EDADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3cscn3)C[C@@H]2C)c1[O-] ZINC000941963052 702249407 /nfs/dbraw/zinc/24/94/07/702249407.db2.gz IWOAKFYCXZZGFT-JOYOIKCWSA-N 0 2 335.433 1.521 20 0 EDADLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3cscn3)C[C@@H]2C)c1[O-] ZINC000941963052 702249412 /nfs/dbraw/zinc/24/94/12/702249412.db2.gz IWOAKFYCXZZGFT-JOYOIKCWSA-N 0 2 335.433 1.521 20 0 EDADLN CO[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1NC(=O)C1(C)CC1 ZINC000942103362 702587713 /nfs/dbraw/zinc/58/77/13/702587713.db2.gz PZRGWWYUHBMJON-IWSPIJDZSA-N 0 2 326.290 1.029 20 0 EDADLN CO[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1NC(=O)C1(C)CC1 ZINC000942103362 702587714 /nfs/dbraw/zinc/58/77/14/702587714.db2.gz PZRGWWYUHBMJON-IWSPIJDZSA-N 0 2 326.290 1.029 20 0 EDADLN CCc1nc(CN2C[C@@H]3C[C@H]2CN3C(=O)C(F)C(F)(F)F)no1 ZINC001032416567 703488352 /nfs/dbraw/zinc/48/83/52/703488352.db2.gz IMHJGZLLUZNJQH-DKCNOQQISA-N 0 2 336.289 1.318 20 0 EDADLN CCc1nc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](F)C(F)(F)F)no1 ZINC001032416567 703488354 /nfs/dbraw/zinc/48/83/54/703488354.db2.gz IMHJGZLLUZNJQH-DKCNOQQISA-N 0 2 336.289 1.318 20 0 EDADLN Cc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)C(F)C(F)(F)F)nn1C ZINC001032416713 703488638 /nfs/dbraw/zinc/48/86/38/703488638.db2.gz LTFXZIBIRPRZOW-SRVKXCTJSA-N 0 2 334.317 1.414 20 0 EDADLN Cc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H](F)C(F)(F)F)nn1C ZINC001032416713 703488639 /nfs/dbraw/zinc/48/86/39/703488639.db2.gz LTFXZIBIRPRZOW-SRVKXCTJSA-N 0 2 334.317 1.414 20 0 EDADLN CCN(CC(=O)[O-])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000382420870 703827311 /nfs/dbraw/zinc/82/73/11/703827311.db2.gz BKWRQDQBQUJWQX-OAHLLOKOSA-N 0 2 335.404 1.004 20 0 EDADLN CCN(CC(=O)[O-])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000382420870 703827314 /nfs/dbraw/zinc/82/73/14/703827314.db2.gz BKWRQDQBQUJWQX-OAHLLOKOSA-N 0 2 335.404 1.004 20 0 EDADLN Cc1ncc(C(=O)N2C[C@H]([NH2+]Cc3cc4n(n3)CCC4)C(C)(C)C2)[nH]1 ZINC000995546489 703923827 /nfs/dbraw/zinc/92/38/27/703923827.db2.gz DFDCFEASVBBMFL-INIZCTEOSA-N 0 2 342.447 1.501 20 0 EDADLN Cc1cc(Cl)cc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[nH]2)c1 ZINC001032521042 703967210 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255173684 /nfs/dbraw/zinc/17/36/84/255173684.db2.gz IDTMZUQBXQBMIP-RYUDHWBXSA-N 0 2 345.403 1.945 20 0 EDADLN Cn1nccc1S(=O)(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000263868679 139366061 /nfs/dbraw/zinc/36/60/61/139366061.db2.gz XKKQVQNQXHTVLE-CYBMUJFWSA-N 0 2 347.400 1.949 20 0 EDADLN Cn1nccc1S(=O)(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000263868679 139366062 /nfs/dbraw/zinc/36/60/62/139366062.db2.gz XKKQVQNQXHTVLE-CYBMUJFWSA-N 0 2 347.400 1.949 20 0 EDADLN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000492864343 255185799 /nfs/dbraw/zinc/18/57/99/255185799.db2.gz KDZPRZBLOQUUQN-JTQLQIEISA-N 0 2 341.412 1.062 20 0 EDADLN O=C(C=Cc1cccc(CO)c1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000493213615 255197060 /nfs/dbraw/zinc/19/70/60/255197060.db2.gz DXOSEKFNYSBMGD-UZYOAWRESA-N 0 2 328.372 1.422 20 0 EDADLN COCCc1nsc(N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)n1 ZINC000495514631 255292474 /nfs/dbraw/zinc/29/24/74/255292474.db2.gz UYEJPDOSGYVLCW-WDEREUQCSA-N 0 2 328.438 1.428 20 0 EDADLN 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ZINC000333049745 141255584 /nfs/dbraw/zinc/25/55/84/141255584.db2.gz GKKDHHGGTGLVCZ-VIFPVBQESA-N 0 2 328.419 1.449 20 0 EDADLN O=C(c1coc2c1C(=O)CCC2)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000333609282 141344327 /nfs/dbraw/zinc/34/43/27/141344327.db2.gz XTLFYURBGMCWAC-JTQLQIEISA-N 0 2 330.344 1.990 20 0 EDADLN O=C(CN1Cc2ccccc2C1=O)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000333616542 141345551 /nfs/dbraw/zinc/34/55/51/141345551.db2.gz YTHWERZWWSBLIG-ZDUSSCGKSA-N 0 2 341.371 1.220 20 0 EDADLN O=C([C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)N1C[C@H](O)[C@@H](CO)C1 ZINC000333799083 141383884 /nfs/dbraw/zinc/38/38/84/141383884.db2.gz ZPSPUVMWZXJQBC-FIXIBIHLSA-N 0 2 343.782 1.368 20 0 EDADLN Cc1ccsc1-c1nc(=NC(=O)N2CCOC[C@@H]2CO)s[nH]1 ZINC000333810243 141385796 /nfs/dbraw/zinc/38/57/96/141385796.db2.gz GKAMBKKDNYFALU-VIFPVBQESA-N 0 2 340.430 1.222 20 0 EDADLN Cc1cc(C(=O)N[C@@H](C)c2ccncc2F)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000338378567 141796807 /nfs/dbraw/zinc/79/68/07/141796807.db2.gz SIZMODNZQDWGRT-QMMMGPOBSA-N 0 2 343.318 1.770 20 0 EDADLN C[C@H](NC(=O)C(=O)NCc1cccnc1)c1cccc(-n2ccnc2)c1 ZINC000339317124 142012857 /nfs/dbraw/zinc/01/28/57/142012857.db2.gz TWHSJMSWNDYCOQ-AWEZNQCLSA-N 0 2 349.394 1.761 20 0 EDADLN O=C(CCOC[C@@H]1CCCO1)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000339396863 142036395 /nfs/dbraw/zinc/03/63/95/142036395.db2.gz YGUSSMFZJXINQN-ZDUSSCGKSA-N 0 2 333.344 1.554 20 0 EDADLN C[C@@H](NC(=O)c1ccoc1)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000339728264 142135860 /nfs/dbraw/zinc/13/58/60/142135860.db2.gz RNBGCOVSZGGKNH-SECBINFHSA-N 0 2 343.368 1.372 20 0 EDADLN Cc1ccc(S(=O)(=O)Nc2ccnn2CC(C)C)cc1C(N)=O ZINC000340038629 142244233 /nfs/dbraw/zinc/24/42/33/142244233.db2.gz ZCBDYWQMOUSYJG-UHFFFAOYSA-N 0 2 336.417 1.747 20 0 EDADLN Cc1nc(CCNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)cs1 ZINC000345107052 143051159 /nfs/dbraw/zinc/05/11/59/143051159.db2.gz OGUSAXIKLCLQSQ-UHFFFAOYSA-N 0 2 330.369 1.767 20 0 EDADLN COC(=O)c1coc(S(=O)(=O)N[C@@H](C(C)C)C(F)(F)F)c1 ZINC000345723481 143125822 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CCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)NC)n(C)c2)s1 ZINC000360800787 152211376 /nfs/dbraw/zinc/21/13/76/152211376.db2.gz ZWBXPTIKSFLSOF-UHFFFAOYSA-N 0 2 342.446 1.513 20 0 EDADLN CCC[C@@H](NC(=O)c1c[nH]c2c(cnn2C)c1=O)C(=O)OC(C)(C)C ZINC000360917278 152250958 /nfs/dbraw/zinc/25/09/58/152250958.db2.gz ASRDMEWQFBLBEU-GFCCVEGCSA-N 0 2 348.403 1.914 20 0 EDADLN COc1ccc(F)cc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000360973889 152266930 /nfs/dbraw/zinc/26/69/30/152266930.db2.gz GIGFKWIUAVBZIV-INIZCTEOSA-N 0 2 337.439 1.867 20 0 EDADLN O=C([C@H]1CCN(c2ccccc2)C1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000574160694 306644007 /nfs/dbraw/zinc/64/40/07/306644007.db2.gz IMGRPHCPYGWNRG-AWEZNQCLSA-N 0 2 341.415 1.743 20 0 EDADLN O=C(c1cc(F)c(O)c(F)c1)N1CCCN(c2ncccn2)CC1 ZINC000364024394 153126477 /nfs/dbraw/zinc/12/64/77/153126477.db2.gz COJKIKOWTMLZBX-UHFFFAOYSA-N 0 2 334.326 1.813 20 0 EDADLN CCO[C@@H]1C[C@H](NS(=O)(=O)CC(F)(F)F)C12CCOCC2 ZINC000408314386 286392079 /nfs/dbraw/zinc/39/20/79/286392079.db2.gz 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157210274 /nfs/dbraw/zinc/21/02/74/157210274.db2.gz OSKMALYVXUVKIZ-SNVBAGLBSA-N 0 2 340.323 1.505 20 0 EDADLN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC000377928358 158031647 /nfs/dbraw/zinc/03/16/47/158031647.db2.gz RMWUOFPMXQBDCA-KCJUWKMLSA-N 0 2 333.285 1.381 20 0 EDADLN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC000377928358 158031649 /nfs/dbraw/zinc/03/16/49/158031649.db2.gz RMWUOFPMXQBDCA-KCJUWKMLSA-N 0 2 333.285 1.381 20 0 EDADLN Cc1cc([C@@H]2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)no1 ZINC000378577178 158212839 /nfs/dbraw/zinc/21/28/39/158212839.db2.gz BHGNIYDHMNMWBB-ZDUSSCGKSA-N 0 2 327.344 1.948 20 0 EDADLN CCc1nc([C@H]2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)no1 ZINC000378580752 158213991 /nfs/dbraw/zinc/21/39/91/158213991.db2.gz JMBVWRDPDDPCJI-LLVKDONJSA-N 0 2 342.359 1.597 20 0 EDADLN C[C@H](CC(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2)n1cc[nH+]c1 ZINC000408497698 158381050 /nfs/dbraw/zinc/38/10/50/158381050.db2.gz JOMWBRRWMRKYAQ-BLYZHGLHSA-N 0 2 325.434 1.859 20 0 EDADLN 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ABQMOQNOFXNUOY-UHFFFAOYSA-N 0 2 345.355 1.636 20 0 EDADLN COC(=O)[C@](C)(NS(=O)(=O)c1onc(C2CC2)c1Cl)C1CC1 ZINC000601349320 449861438 /nfs/dbraw/zinc/86/14/38/449861438.db2.gz BIYYWCPSOCRHGR-CYBMUJFWSA-N 0 2 348.808 1.825 20 0 EDADLN C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc2c(c1)CCCO2 ZINC000612939220 449947731 /nfs/dbraw/zinc/94/77/31/449947731.db2.gz RJOXMSGWQYYABW-CJNGLKHVSA-N 0 2 332.448 1.357 20 0 EDADLN COC(=O)c1ccccc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000609128659 449961766 /nfs/dbraw/zinc/96/17/66/449961766.db2.gz NDAVHMYCBWYSJZ-UHFFFAOYSA-N 0 2 333.369 1.941 20 0 EDADLN CC(C)(C)OC(=O)CC1(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CCOCC1 ZINC000597596391 450135999 /nfs/dbraw/zinc/13/59/99/450135999.db2.gz DFXQKHAYAUDKFC-IMRBUKKESA-N 0 2 325.405 1.276 20 0 EDADLN CC[C@@H](NC(=O)c1cccc(-c2nc(=O)o[nH]2)c1)[C@H](O)C(F)F ZINC000615687534 450200393 /nfs/dbraw/zinc/20/03/93/450200393.db2.gz REQVFEXFMBNPHU-ZJUUUORDSA-N 0 2 327.287 1.164 20 0 EDADLN Cc1cc(C)[nH+]c(S([O-])=CC(=O)NCCOCCC(C)C)c1 ZINC000618533224 450233555 /nfs/dbraw/zinc/23/35/55/450233555.db2.gz YNUVLBCNXRFODV-QFIPXVFZSA-N 0 2 326.462 1.985 20 0 EDADLN COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000601734500 450198695 /nfs/dbraw/zinc/19/86/95/450198695.db2.gz CSAFSTPOKOQXPQ-PSLIRLAXSA-N 0 2 329.299 1.463 20 0 EDADLN CCc1nnc(NS(=O)(=O)c2cccc(C)c2C(=O)OC)s1 ZINC000610612147 450273130 /nfs/dbraw/zinc/27/31/30/450273130.db2.gz LVSRQFQCMKSEKL-UHFFFAOYSA-N 0 2 341.414 1.996 20 0 EDADLN O=C(Nc1ccccc1-n1cncn1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000618702748 450276364 /nfs/dbraw/zinc/27/63/64/450276364.db2.gz OSNGHJQEEKATAZ-UHFFFAOYSA-N 0 2 349.310 1.269 20 0 EDADLN C[C@@]12COC[C@@H]1CN(C(=O)C1=NN(c3ccc(F)cc3)CC1=O)C2 ZINC000618711310 450278995 /nfs/dbraw/zinc/27/89/95/450278995.db2.gz MXKUZCXNSSYGGT-APPDUMDISA-N 0 2 331.347 1.826 20 0 EDADLN COC(=O)c1cc(S(=O)(=O)Nc2cnccc2SC)c[nH]1 ZINC000610657424 450287655 /nfs/dbraw/zinc/28/76/55/450287655.db2.gz RXZYNZFGOQELSL-UHFFFAOYSA-N 0 2 327.387 1.719 20 0 EDADLN CCOC(=O)c1c(NS(=O)(=O)c2cnn(CC)c2)ccn1C ZINC000603418750 450291289 /nfs/dbraw/zinc/29/12/89/450291289.db2.gz VKKSKRPDCPRCKC-UHFFFAOYSA-N 0 2 326.378 1.219 20 0 EDADLN COC(=O)c1cncc(S(=O)(=O)Nc2cnccc2SC)c1 ZINC000618973321 450358788 /nfs/dbraw/zinc/35/87/88/450358788.db2.gz FPNQGQNXLGGTKU-UHFFFAOYSA-N 0 2 339.398 1.786 20 0 EDADLN COCC(=O)NC1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC000620969203 450567153 /nfs/dbraw/zinc/56/71/53/450567153.db2.gz BVSGEAVKMDEJKP-UHFFFAOYSA-N 0 2 328.315 1.038 20 0 EDADLN COC1(CS(=O)(=O)Nc2cccc3c2OCC3)CCOCC1 ZINC000629313185 450592139 /nfs/dbraw/zinc/59/21/39/450592139.db2.gz MZFBPWTWFXRWNW-UHFFFAOYSA-N 0 2 327.402 1.559 20 0 EDADLN O=C([O-])c1cccc2c1CC[N@H+](CC(=O)NCc1cccnc1)C2 ZINC000629361699 450632581 /nfs/dbraw/zinc/63/25/81/450632581.db2.gz KWZQRQDHSHRZOM-UHFFFAOYSA-N 0 2 325.368 1.454 20 0 EDADLN O=C([O-])c1cccc2c1CC[N@@H+](CC(=O)NCc1cccnc1)C2 ZINC000629361699 450632584 /nfs/dbraw/zinc/63/25/84/450632584.db2.gz KWZQRQDHSHRZOM-UHFFFAOYSA-N 0 2 325.368 1.454 20 0 EDADLN Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2cc(F)c(F)c(O)c2F)n1 ZINC000629789621 450819099 /nfs/dbraw/zinc/81/90/99/450819099.db2.gz UOTJNOWEBQCKFF-QPUJVOFHSA-N 0 2 343.261 1.761 20 0 EDADLN COC[C@]1(C)CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCO1 ZINC000629903727 450870384 /nfs/dbraw/zinc/87/03/84/450870384.db2.gz VPSSMYRUMAIFSG-KRWDZBQOSA-N 0 2 349.362 1.595 20 0 EDADLN CCC[C@@H](CNC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)OCC ZINC000627697291 450891585 /nfs/dbraw/zinc/89/15/85/450891585.db2.gz XIBKAZWFSRAZJA-JTQLQIEISA-N 0 2 342.465 1.517 20 0 EDADLN NC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1nc(-c2ccc(O)c(Cl)c2)n[nH]1 ZINC000621957047 450956993 /nfs/dbraw/zinc/95/69/93/450956993.db2.gz GXVVJWSGTRYUCU-SFYZADRCSA-N 0 2 335.751 1.281 20 0 EDADLN CCc1ccccc1-n1cc(C(=O)N(C)CC2N=NC(=O)O2)nn1 ZINC000622115325 451049676 /nfs/dbraw/zinc/04/96/76/451049676.db2.gz RXQFMZUMSJQZTL-UHFFFAOYSA-N 0 2 328.332 1.191 20 0 EDADLN COc1ccc(CNC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)cn1 ZINC000622289602 451121641 /nfs/dbraw/zinc/12/16/41/451121641.db2.gz ZGJAWXDJEUTJNI-UHFFFAOYSA-N 0 2 326.312 1.364 20 0 EDADLN COc1ncc(C)cc1NC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000622407440 451142361 /nfs/dbraw/zinc/14/23/61/451142361.db2.gz UVNXEVLDJUPSNB-UHFFFAOYSA-N 0 2 326.312 1.994 20 0 EDADLN Cc1nnc([C@@H](C)NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)s1 ZINC000622510449 451162204 /nfs/dbraw/zinc/16/22/04/451162204.db2.gz DKBJXEHIJAJEEK-SSDOTTSWSA-N 0 2 331.357 1.681 20 0 EDADLN CO[C@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)[C@](C)(CO)C1 ZINC000634073029 451182658 /nfs/dbraw/zinc/18/26/58/451182658.db2.gz XKDPBBIYIXAQCA-DYVFJYSZSA-N 0 2 349.362 1.329 20 0 EDADLN COC(C)(C)c1nc(=NC(=O)[C@H]2CCCN(C(C)=O)C2)s[nH]1 ZINC000634154438 451214290 /nfs/dbraw/zinc/21/42/90/451214290.db2.gz YGEXUOJTOJTSPD-JTQLQIEISA-N 0 2 326.422 1.039 20 0 EDADLN C[C@@H](CN(C)C(=O)C[C@@H](n1ccnc1)C(F)(F)F)c1nn[nH]n1 ZINC000635795227 451245522 /nfs/dbraw/zinc/24/55/22/451245522.db2.gz HDVPLMKMTUVKHJ-DTWKUNHWSA-N 0 2 331.302 1.152 20 0 EDADLN CC1(c2nc(=NC(=O)[C@H]3CNC(=O)c4ccccc43)s[nH]2)CC1 ZINC000628540655 451283097 /nfs/dbraw/zinc/28/30/97/451283097.db2.gz MOQBMIRRGPRLIA-NSHDSACASA-N 0 2 328.397 1.477 20 0 EDADLN O=C1CC(C2CC2)=NN1c1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC000634588810 451415121 /nfs/dbraw/zinc/41/51/21/451415121.db2.gz FTTPCAVFLHYKSC-UHFFFAOYSA-N 0 2 348.428 1.805 20 0 EDADLN O=c1cc(C2CC2)[nH]n1-c1ccc(S(=O)(=O)NC2CCCC2)cn1 ZINC000634588810 451415128 /nfs/dbraw/zinc/41/51/28/451415128.db2.gz FTTPCAVFLHYKSC-UHFFFAOYSA-N 0 2 348.428 1.805 20 0 EDADLN CN(C)c1cncc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000634660007 451454925 /nfs/dbraw/zinc/45/49/25/451454925.db2.gz REVPUVBTFPFSDX-UHFFFAOYSA-N 0 2 331.348 1.410 20 0 EDADLN Cc1[nH]ncc1CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000636066969 451483713 /nfs/dbraw/zinc/48/37/13/451483713.db2.gz SZYANILUGJZNTF-JTQLQIEISA-N 0 2 342.446 1.105 20 0 EDADLN Cc1nn(C)c(C)c1NS(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000634785310 451546993 /nfs/dbraw/zinc/54/69/93/451546993.db2.gz DELMXDUFLBIRHO-UHFFFAOYSA-N 0 2 337.327 1.590 20 0 EDADLN CC(C)O[C@@]1(CS(=O)(=O)Nc2ccc(F)cc2O)CCOC1 ZINC000634790099 451551464 /nfs/dbraw/zinc/55/14/64/451551464.db2.gz RUARWAHJHLAAJZ-AWEZNQCLSA-N 0 2 333.381 1.857 20 0 EDADLN CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000636858275 451559522 /nfs/dbraw/zinc/55/95/22/451559522.db2.gz NROMYDQDDNZQOZ-LJQANCHMSA-N 0 2 345.487 1.830 20 0 EDADLN O=C(N[C@@H]1CCOC[C@H]1O)c1cc(Br)c(F)cc1O ZINC000629247445 451617301 /nfs/dbraw/zinc/61/73/01/451617301.db2.gz USNBCXCRSXRZLO-MWLCHTKSSA-N 0 2 334.141 1.173 20 0 EDADLN O=C([O-])c1ccc(CN2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC000635022315 451658232 /nfs/dbraw/zinc/65/82/32/451658232.db2.gz XCYRTYHYHRAOHA-UHFFFAOYSA-N 0 2 326.400 1.535 20 0 EDADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ncc2n1CCCC2 ZINC000637051635 451697678 /nfs/dbraw/zinc/69/76/78/451697678.db2.gz RFVQXPXFJRSBAK-UHFFFAOYSA-N 0 2 326.385 1.807 20 0 EDADLN Cc1ccc(CCCNC(=O)C(=O)N=c2ncn(C(C)C)[nH]2)c(C)c1 ZINC000651498267 451869017 /nfs/dbraw/zinc/86/90/17/451869017.db2.gz UYHXMTCHRDYDRX-UHFFFAOYSA-N 0 2 343.431 1.585 20 0 EDADLN Cc1ccc(OCCN(C)C(=O)C(=O)N=c2ncn(C(C)C)[nH]2)cc1 ZINC000651516539 451883210 /nfs/dbraw/zinc/88/32/10/451883210.db2.gz UOEZSHDNMQMJIF-UHFFFAOYSA-N 0 2 345.403 1.065 20 0 EDADLN NC(=O)Cc1ccc(CNC(=O)c2cc(F)c(F)c(O)c2F)cc1 ZINC000644597655 451885108 /nfs/dbraw/zinc/88/51/08/451885108.db2.gz WOLVUQVLBFEJKM-UHFFFAOYSA-N 0 2 338.285 1.767 20 0 EDADLN CC(C)n1cnc(=NC(=O)C(=O)N2CC(C)(C)[C@H]2c2ccccc2)[nH]1 ZINC000651533904 451896384 /nfs/dbraw/zinc/89/63/84/451896384.db2.gz QRHJFZLHWRDINL-CQSZACIVSA-N 0 2 341.415 1.829 20 0 EDADLN CC(C)n1cnc(=NC(=O)C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)[nH]1 ZINC000651533903 451896741 /nfs/dbraw/zinc/89/67/41/451896741.db2.gz QRHJFZLHWRDINL-AWEZNQCLSA-N 0 2 341.415 1.829 20 0 EDADLN CN(C)c1ccccc1NC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000639504403 451909677 /nfs/dbraw/zinc/90/96/77/451909677.db2.gz IFVPXGWARAAFHS-NSHDSACASA-N 0 2 330.392 1.988 20 0 EDADLN CO[C@@H](C)c1noc(CN2CCC[N@H+](CCc3c[nH+]cn3C)CC2)n1 ZINC000639512881 451915873 /nfs/dbraw/zinc/91/58/73/451915873.db2.gz DEOMSRDRZRSQIA-AWEZNQCLSA-N 0 2 348.451 1.261 20 0 EDADLN COc1ncc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000644658016 451922632 /nfs/dbraw/zinc/92/26/32/451922632.db2.gz KVOMGJHGWPMVJK-SCRDCRAPSA-N 0 2 343.855 1.303 20 0 EDADLN COc1ccc([C@H](C)NC(=O)C(=O)N=c2ncn(C(C)C)[nH]2)cc1 ZINC000651541165 451900235 /nfs/dbraw/zinc/90/02/35/451900235.db2.gz GQOOKINCXTZNFT-NSHDSACASA-N 0 2 331.376 1.105 20 0 EDADLN Cc1cc([C@@H](C)NC(=O)C(=O)N=c2ncn(C(C)C)[nH]2)ccc1F ZINC000651612668 451960063 /nfs/dbraw/zinc/96/00/63/451960063.db2.gz ZCXJMLWVBYWSHJ-LLVKDONJSA-N 0 2 333.367 1.544 20 0 EDADLN Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CN=c1[n-]c(C2CCC2)no1 ZINC000649337075 452018006 /nfs/dbraw/zinc/01/80/06/452018006.db2.gz YIIYLBRTOHLZEJ-STQMWFEESA-N 0 2 334.399 1.517 20 0 EDADLN CC(C)n1cnc(=NC(=O)C(=O)N2CCC[C@@H]2c2ccc(O)cc2)[nH]1 ZINC000651697705 452020064 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C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833635085 594894197 /nfs/dbraw/zinc/89/41/97/594894197.db2.gz OBYSVNHKYVYJDN-ZYHUDNBSSA-N 0 2 328.390 1.225 20 0 EDADLN C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833635085 594894199 /nfs/dbraw/zinc/89/41/99/594894199.db2.gz OBYSVNHKYVYJDN-ZYHUDNBSSA-N 0 2 328.390 1.225 20 0 EDADLN CCc1[nH]c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C)c1C(=O)[O-] ZINC000833667977 594902014 /nfs/dbraw/zinc/90/20/14/594902014.db2.gz NNCWEWWTWCBNDP-GFCCVEGCSA-N 0 2 342.399 1.987 20 0 EDADLN CCn1cc(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c2ccccc21 ZINC000833682118 594905121 /nfs/dbraw/zinc/90/51/21/594905121.db2.gz KCSZPIDBFAKHKS-HNNXBMFYSA-N 0 2 340.383 1.739 20 0 EDADLN CCn1cc(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c2ccccc21 ZINC000833682118 594905122 /nfs/dbraw/zinc/90/51/22/594905122.db2.gz KCSZPIDBFAKHKS-HNNXBMFYSA-N 0 2 340.383 1.739 20 0 EDADLN CN(c1nc(C[NH+]2CCC([C@H](O)C(=O)[O-])CC2)cs1)C1CC1 ZINC000833698382 594909432 /nfs/dbraw/zinc/90/94/32/594909432.db2.gz VAPZVWZQKNODJZ-ZDUSSCGKSA-N 0 2 325.434 1.399 20 0 EDADLN CN1CC[C@@H]([NH2+][C@H](C(=O)[O-])c2cccc(Br)c2)C1=O ZINC000833698429 594909520 /nfs/dbraw/zinc/90/95/20/594909520.db2.gz NRJDXPKMJFFRKA-MNOVXSKESA-N 0 2 327.178 1.395 20 0 EDADLN Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000833761063 594923794 /nfs/dbraw/zinc/92/37/94/594923794.db2.gz XJLPLODQVFKSQP-SECBINFHSA-N 0 2 341.414 1.358 20 0 EDADLN O=C([O-])c1cccc(CC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000833765578 594925042 /nfs/dbraw/zinc/92/50/42/594925042.db2.gz GUDIHDHEQNPPKB-UHFFFAOYSA-N 0 2 336.351 1.824 20 0 EDADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000833767933 594925439 /nfs/dbraw/zinc/92/54/39/594925439.db2.gz VFWDSHFFTVTBNZ-JSGCOSHPSA-N 0 2 333.775 1.905 20 0 EDADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCc2c1cccc2Cl ZINC000833767933 594925442 /nfs/dbraw/zinc/92/54/42/594925442.db2.gz VFWDSHFFTVTBNZ-JSGCOSHPSA-N 0 2 333.775 1.905 20 0 EDADLN C[C@H](NC(=O)[O-])C1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000833814536 594936146 /nfs/dbraw/zinc/93/61/46/594936146.db2.gz DYUIMFGEPYBPHQ-GXTWGEPZSA-N 0 2 349.435 1.838 20 0 EDADLN C[C@@H](NC(=O)[O-])[C@@H]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000833819997 594938339 /nfs/dbraw/zinc/93/83/39/594938339.db2.gz WSWIKHKTGZADCT-ZIAGYGMSSA-N 0 2 346.431 1.690 20 0 EDADLN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CN1C(=O)c2ccc(F)cc2C1=O ZINC000833830014 594942467 /nfs/dbraw/zinc/94/24/67/594942467.db2.gz IGEZWRPIRHPBGH-UWVGGRQHSA-N 0 2 335.335 1.357 20 0 EDADLN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CN1C(=O)c2ccc(F)cc2C1=O ZINC000833830014 594942469 /nfs/dbraw/zinc/94/24/69/594942469.db2.gz IGEZWRPIRHPBGH-UWVGGRQHSA-N 0 2 335.335 1.357 20 0 EDADLN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-] ZINC000833837421 594945249 /nfs/dbraw/zinc/94/52/49/594945249.db2.gz HZCXNLXVEGAGLA-XPKDYRNWSA-N 0 2 346.431 1.513 20 0 EDADLN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)[O-] ZINC000833837421 594945250 /nfs/dbraw/zinc/94/52/50/594945250.db2.gz HZCXNLXVEGAGLA-XPKDYRNWSA-N 0 2 346.431 1.513 20 0 EDADLN Cn1cnnc1C[NH2+][C@H]1C[C@]2(CCN(C(=O)[O-])C2)Oc2ccccc21 ZINC000833956894 594974388 /nfs/dbraw/zinc/97/43/88/594974388.db2.gz KMBRKYXCQQUOQW-GUYCJALGSA-N 0 2 343.387 1.551 20 0 EDADLN C[C@]1(CNS(=O)(=O)N=S(C)(C)=O)OCCc2sccc21 ZINC000867279947 594975375 /nfs/dbraw/zinc/97/53/75/594975375.db2.gz JKERQWWCGNFUOE-LLVKDONJSA-N 0 2 338.476 1.098 20 0 EDADLN O=C([O-])N1CCC[C@@H](CNC(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000834029111 594994272 /nfs/dbraw/zinc/99/42/72/594994272.db2.gz OHULTOYLLLOYBB-STQMWFEESA-N 0 2 335.408 1.450 20 0 EDADLN O=C([O-])N1CCCC[C@H](NC(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000834034022 594996122 /nfs/dbraw/zinc/99/61/22/594996122.db2.gz YMAMIQMRHSKQIH-OLZOCXBDSA-N 0 2 335.408 1.592 20 0 EDADLN CC(C)[C@H](CO)ONC(=O)C1(c2cncc(Br)c2)CC1 ZINC000836894150 595010660 /nfs/dbraw/zinc/01/06/60/595010660.db2.gz NEJFUCOGZSJGKP-LBPRGKRZSA-N 0 2 343.221 1.940 20 0 EDADLN O=C([O-])N1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C2(CCCCC2)C1 ZINC000834114408 595018398 /nfs/dbraw/zinc/01/83/98/595018398.db2.gz BRNFDQHSJULNDJ-CQSZACIVSA-N 0 2 346.431 1.971 20 0 EDADLN O=C([O-])N[C@H](CC(F)F)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000834127323 595021962 /nfs/dbraw/zinc/02/19/62/595021962.db2.gz AYFCLLQTYAYNBZ-LLVKDONJSA-N 0 2 338.314 1.780 20 0 EDADLN O=C([O-])N[C@@H](CNC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000834141204 595025969 /nfs/dbraw/zinc/02/59/69/595025969.db2.gz AUKWPEKBYVYWJM-AWEZNQCLSA-N 0 2 336.392 1.153 20 0 EDADLN O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000834182754 595043860 /nfs/dbraw/zinc/04/38/60/595043860.db2.gz JECLRHPPNNGJBF-YNEHKIRRSA-N 0 2 334.420 1.990 20 0 EDADLN O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000834182754 595043863 /nfs/dbraw/zinc/04/38/63/595043863.db2.gz JECLRHPPNNGJBF-YNEHKIRRSA-N 0 2 334.420 1.990 20 0 EDADLN O=C([O-])NCC1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000834225490 595061441 /nfs/dbraw/zinc/06/14/41/595061441.db2.gz LMXZWDGOZRDMLG-CYBMUJFWSA-N 0 2 335.408 1.450 20 0 EDADLN O=C(NS(=O)(=O)c1cccnc1)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000842280907 595065166 /nfs/dbraw/zinc/06/51/66/595065166.db2.gz LBQBTDBWBYWAIR-HZPDHXFCSA-N 0 2 346.408 1.707 20 0 EDADLN N=C1NC(=O)[C@@H](CC(=O)NCC(F)(F)c2ccc(F)cc2F)S1 ZINC000834298545 595085590 /nfs/dbraw/zinc/08/55/90/595085590.db2.gz ZOJUBGHEEKHMSH-SECBINFHSA-N 0 2 349.309 1.729 20 0 EDADLN Cc1ncoc1C(=O)OCC(=O)C1(NC(=O)C(F)(F)F)CCCC1 ZINC000837564385 595140773 /nfs/dbraw/zinc/14/07/73/595140773.db2.gz MKLYKDGGMCZKFA-UHFFFAOYSA-N 0 2 348.277 1.700 20 0 EDADLN C[C@@H]1CCn2ncc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)c2C1 ZINC000843758319 595179930 /nfs/dbraw/zinc/17/99/30/595179930.db2.gz OCOYATKGFZGHHZ-LLVKDONJSA-N 0 2 345.403 1.365 20 0 EDADLN CC(C)(C)c1ccc(S(=O)(=O)NC(=O)c2cc[n+]([O-])cc2)s1 ZINC000842741053 595186103 /nfs/dbraw/zinc/18/61/03/595186103.db2.gz BCZITTLYXYYLRK-UHFFFAOYSA-N 0 2 340.426 1.798 20 0 EDADLN O=C([C@H](O)c1ccccc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000843874778 595205848 /nfs/dbraw/zinc/20/58/48/595205848.db2.gz HKIWWMFXDHPAOU-GFCCVEGCSA-N 0 2 336.779 1.603 20 0 EDADLN COC(=O)c1cc(S(=O)(=O)NC(=O)[C@H]2C[C@@]2(C)C(C)C)c(C)o1 ZINC000842883118 595224375 /nfs/dbraw/zinc/22/43/75/595224375.db2.gz AWVTWPBQLBBGJD-BMIGLBTASA-N 0 2 343.401 1.862 20 0 EDADLN COC(=O)c1cc(S(=O)(=O)NC(=O)[C@H]2CC[C@@H](C)C2)c(C)o1 ZINC000842884140 595224903 /nfs/dbraw/zinc/22/49/03/595224903.db2.gz HZJMVVNXYVDCCG-SCZZXKLOSA-N 0 2 329.374 1.616 20 0 EDADLN COC(=O)c1cc(S(=O)(=O)NC(=O)C[C@H]2C=CCC2)c(C)o1 ZINC000842883895 595225050 /nfs/dbraw/zinc/22/50/50/595225050.db2.gz OUUISWSMGFAKOS-JTQLQIEISA-N 0 2 327.358 1.536 20 0 EDADLN CCC(=CC(=O)NS(=O)(=O)c1cc(C(=O)OC)oc1C)CC ZINC000842886795 595225442 /nfs/dbraw/zinc/22/54/42/595225442.db2.gz YBZCNNDEBXIQCZ-UHFFFAOYSA-N 0 2 329.374 1.926 20 0 EDADLN CCONC(=O)CNC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000846493415 595250831 /nfs/dbraw/zinc/25/08/31/595250831.db2.gz ZCZUDLPKAQRJTO-SNVBAGLBSA-N 0 2 326.780 1.733 20 0 EDADLN CCONC(=O)CNC(=O)c1ccccc1COC1CCOCC1 ZINC000846494911 595251426 /nfs/dbraw/zinc/25/14/26/595251426.db2.gz WKUFCPMHQYEIMY-UHFFFAOYSA-N 0 2 336.388 1.180 20 0 EDADLN CCONC(=O)CNC(=O)c1cc(Cl)ccc1Br ZINC000846496833 595252719 /nfs/dbraw/zinc/25/27/19/595252719.db2.gz OXRBIDOJDPWPQX-UHFFFAOYSA-N 0 2 335.585 1.900 20 0 EDADLN CCONC(=O)CNC(=O)CCc1ccc(Br)cc1F ZINC000846499103 595254063 /nfs/dbraw/zinc/25/40/63/595254063.db2.gz VUEFFGNHRNREOJ-UHFFFAOYSA-N 0 2 347.184 1.705 20 0 EDADLN CCONC(=O)CNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000846499226 595254251 /nfs/dbraw/zinc/25/42/51/595254251.db2.gz YDBKDCIVCWHCJL-UHFFFAOYSA-N 0 2 346.387 1.832 20 0 EDADLN O=C(CSc1n[nH]c(=O)[nH]1)NCCC[C@@H]1CC1(Cl)Cl ZINC000846588622 595279608 /nfs/dbraw/zinc/27/96/08/595279608.db2.gz RXNMEOXFONHENC-ZCFIWIBFSA-N 0 2 325.221 1.693 20 0 EDADLN CCONC(=O)CNC(=O)Nc1cc2c(cc1SC)OCCO2 ZINC000844524301 595354722 /nfs/dbraw/zinc/35/47/22/595354722.db2.gz DMYXSOFETOPWKJ-UHFFFAOYSA-N 0 2 341.389 1.369 20 0 EDADLN CCONC(=O)CNC(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000844593569 595362738 /nfs/dbraw/zinc/36/27/38/595362738.db2.gz PEFAXQRWEJWLKI-UHFFFAOYSA-N 0 2 337.323 1.939 20 0 EDADLN CCONC(=O)CNC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000844645834 595367255 /nfs/dbraw/zinc/36/72/55/595367255.db2.gz UFAKZHCHTDBKCK-LLVKDONJSA-N 0 2 337.273 1.796 20 0 EDADLN CCONC(=O)CNC(=O)Nc1cc(OC)cc(-n2cccn2)c1 ZINC000844651829 595367752 /nfs/dbraw/zinc/36/77/52/595367752.db2.gz VFUBMUHGDQSRAZ-UHFFFAOYSA-N 0 2 333.348 1.070 20 0 EDADLN CCONC(=O)CNC(=O)Nc1cncc(C(=O)OC(C)(C)C)c1 ZINC000847209109 595376500 /nfs/dbraw/zinc/37/65/00/595376500.db2.gz FUBWLWJIIISVDH-UHFFFAOYSA-N 0 2 338.364 1.226 20 0 EDADLN CSc1ccnc(NS(=O)(=O)c2c(C)nn(C)c2Cl)n1 ZINC000844834703 595401635 /nfs/dbraw/zinc/40/16/35/595401635.db2.gz QPYYPSIDTZQWEN-UHFFFAOYSA-N 0 2 333.826 1.695 20 0 EDADLN 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TVKBANDFENOGNF-LLVKDONJSA-N 0 2 349.284 1.641 20 0 EDADLN O=C(NCC1CN(C(=O)[C@@H](F)C(F)(F)F)C1)c1cc(C2CC2)on1 ZINC001003373274 710291568 /nfs/dbraw/zinc/29/15/68/710291568.db2.gz TVKBANDFENOGNF-LLVKDONJSA-N 0 2 349.284 1.641 20 0 EDADLN Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)C(F)C(F)(F)F)C2)n1C ZINC001005708043 711074423 /nfs/dbraw/zinc/07/44/23/711074423.db2.gz WJEDQKHHHAHITD-SKDRFNHKSA-N 0 2 349.328 1.811 20 0 EDADLN Cc1ccc(C(=O)N[C@H](C)C2CN(C(=O)[C@H](F)C(F)(F)F)C2)n1C ZINC001005708043 711074425 /nfs/dbraw/zinc/07/44/25/711074425.db2.gz WJEDQKHHHAHITD-SKDRFNHKSA-N 0 2 349.328 1.811 20 0 EDADLN Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)c1[O-] ZINC001033017390 711272721 /nfs/dbraw/zinc/27/27/21/711272721.db2.gz VXAUSRFEAGJRSN-HNNXBMFYSA-N 0 2 344.415 1.263 20 0 EDADLN Cc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)c1[O-] ZINC001033017390 711272724 /nfs/dbraw/zinc/27/27/24/711272724.db2.gz VXAUSRFEAGJRSN-HNNXBMFYSA-N 0 2 344.415 1.263 20 0 EDADLN CCc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)c2n[nH]c(C)c2[O-])o1 ZINC001034908344 711333743 /nfs/dbraw/zinc/33/37/43/711333743.db2.gz JCCNHDJGLUWXEL-LLVKDONJSA-N 0 2 333.392 1.369 20 0 EDADLN COCc1ccc(C(=O)NC2CC[NH+](Cc3n[nH]c(=O)[n-]3)CC2)cc1 ZINC001004118563 711481548 /nfs/dbraw/zinc/48/15/48/711481548.db2.gz TVLGSISIGFLBHT-UHFFFAOYSA-N 0 2 345.403 1.051 20 0 EDADLN Cc1cnc(C(=O)N2CC[C@@H](C)[C@@H](NC(=O)[C@H]3C[C@H]4C[C@H]4C3)C2)cn1 ZINC001005157175 712605883 /nfs/dbraw/zinc/60/58/83/712605883.db2.gz MJNFJHKPIZUSAH-ZJBDGZLFSA-N 0 2 342.443 1.798 20 0 EDADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000054319844 214231210 /nfs/dbraw/zinc/23/12/10/214231210.db2.gz JPAMBOLYTWPPAE-UHFFFAOYSA-N 0 2 335.389 1.357 20 0 EDADLN COc1cccc2c1[C@@H](C(=O)N1CCC[C@H](c3n[nH]c(=O)[nH]3)C1)CC2 ZINC000562707722 306306593 /nfs/dbraw/zinc/30/65/93/306306593.db2.gz VSLVLDMSMQJQIT-STQMWFEESA-N 0 2 342.399 1.955 20 0 EDADLN COc1ccc(NS(=O)(=O)c2c[nH]cn2)cc1Br ZINC000080692448 138264688 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CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000414328177 304106658 /nfs/dbraw/zinc/10/66/58/304106658.db2.gz CGAIKUAUNSKFFU-LBPRGKRZSA-N 0 2 344.433 1.699 20 0 EDADLN CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000414328177 304106660 /nfs/dbraw/zinc/10/66/60/304106660.db2.gz CGAIKUAUNSKFFU-LBPRGKRZSA-N 0 2 344.433 1.699 20 0 EDADLN O=C([O-])[C@@H]1CCCN1CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000262688154 304114443 /nfs/dbraw/zinc/11/44/43/304114443.db2.gz FENXQKAJFWZWHR-LBPRGKRZSA-N 0 2 338.433 1.226 20 0 EDADLN CS(=O)(=O)c1c(F)cccc1NS(=O)(=O)CCCCF ZINC000414478725 304117880 /nfs/dbraw/zinc/11/78/80/304117880.db2.gz FXXLRLYJTSIWGI-UHFFFAOYSA-N 0 2 327.374 1.721 20 0 EDADLN COCCN1CCCN(C(=O)c2cc(F)c(F)c(O)c2F)CC1=O ZINC000189304707 138867059 /nfs/dbraw/zinc/86/70/59/138867059.db2.gz QOEJNYAICDDINN-UHFFFAOYSA-N 0 2 346.305 1.130 20 0 EDADLN CCOC(=O)[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000107527903 204240765 /nfs/dbraw/zinc/24/07/65/204240765.db2.gz LBGXTSWZVKSOCK-CYBMUJFWSA-N 0 2 338.385 1.874 20 0 EDADLN CCn1nnnc1-c1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1 ZINC000154508493 205932709 /nfs/dbraw/zinc/93/27/09/205932709.db2.gz VGTVNSBPGMSJIY-UHFFFAOYSA-N 0 2 347.404 1.501 20 0 EDADLN CCC(=O)N1CC[C@H](C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)C1 ZINC000569138720 306498210 /nfs/dbraw/zinc/49/82/10/306498210.db2.gz RHQAUWADWSDTAU-LBPRGKRZSA-N 0 2 343.387 1.683 20 0 EDADLN COC(=O)[C@H]1C[C@@H](NC(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000416997698 251123283 /nfs/dbraw/zinc/12/32/83/251123283.db2.gz RJERDAFFXPYOIS-DTORHVGOSA-N 0 2 338.414 1.762 20 0 EDADLN C[C@@H](O)[C@@H](NS(=O)(=O)NCC(F)(F)F)c1ccccc1F ZINC000569580249 306511772 /nfs/dbraw/zinc/51/17/72/306511772.db2.gz BLJHOLHWUZYIPK-GMSGAONNSA-N 0 2 330.303 1.234 20 0 EDADLN O=C([O-])c1ccc(N2CCN(c3ncnc4c3CCC4)CC2)[nH+]c1 ZINC000569609063 306513289 /nfs/dbraw/zinc/51/32/89/306513289.db2.gz SGOOBVSAHANKDH-UHFFFAOYSA-N 0 2 325.372 1.385 20 0 EDADLN C[C@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(F)(F)F 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COc1cc(OC)c(S(=O)(=O)Nc2ccnn2C)c(OC)c1 ZINC000488599177 255045779 /nfs/dbraw/zinc/04/57/79/255045779.db2.gz SLWKZEQEZAUWSW-UHFFFAOYSA-N 0 2 327.362 1.247 20 0 EDADLN COC(=O)c1sccc1S(=O)(=O)NC(=O)/C=C\C(C)(C)C ZINC000491839805 255151627 /nfs/dbraw/zinc/15/16/27/255151627.db2.gz WSVUGKMTJXGZIW-ALCCZGGFSA-N 0 2 331.415 1.942 20 0 EDADLN O=C(/C=C/COCC(F)(F)F)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000493825358 255223110 /nfs/dbraw/zinc/22/31/10/255223110.db2.gz PVBPJBFKBLMVJT-LXOKAJLYSA-N 0 2 334.298 1.351 20 0 EDADLN C[C@@H](Cc1ccncc1)NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000494059527 255234227 /nfs/dbraw/zinc/23/42/27/255234227.db2.gz IYLKRRJGPLIIGH-JTQLQIEISA-N 0 2 347.444 1.338 20 0 EDADLN CCn1cc[nH+]c1/C=C/C(=O)[N-]S(=O)(=O)CCC(F)(F)F ZINC000493156742 255193938 /nfs/dbraw/zinc/19/39/38/255193938.db2.gz NUCMBPZBIXLTJW-ONEGZZNKSA-N 0 2 325.312 1.315 20 0 EDADLN CN(CCCNS(=O)(=O)CC(F)(F)F)C(=O)OC(C)(C)C ZINC000494436197 255251233 /nfs/dbraw/zinc/25/12/33/255251233.db2.gz 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PZZMHWCFUBDUJE-UHFFFAOYSA-N 0 2 346.778 1.751 20 0 EDADLN CN(Cc1[nH+]ccn1C)C(=O)[C@H]1c2ccccc2CCN1C(=O)[O-] ZINC000828421989 594415147 /nfs/dbraw/zinc/41/51/47/594415147.db2.gz RCBBWOCGYHRDHD-OAHLLOKOSA-N 0 2 328.372 1.656 20 0 EDADLN C[C@H]1C[N@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C[C@H]1C(=O)[O-] ZINC000828462463 594427516 /nfs/dbraw/zinc/42/75/16/594427516.db2.gz JSCUUODCWSXPAD-SMDDNHRTSA-N 0 2 331.347 1.659 20 0 EDADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccc(F)cc3)ccc2=O)C[C@H]1C(=O)[O-] ZINC000828462463 594427519 /nfs/dbraw/zinc/42/75/19/594427519.db2.gz JSCUUODCWSXPAD-SMDDNHRTSA-N 0 2 331.347 1.659 20 0 EDADLN C[N@@H+]1CCN(C(=O)CC/C=C\c2ccccc2)[C@H](CNC(=O)[O-])C1 ZINC000828494128 594436229 /nfs/dbraw/zinc/43/62/29/594436229.db2.gz HBEADGHAKHTNNM-MEMKZHQFSA-N 0 2 331.416 1.890 20 0 EDADLN C[N@H+]1CCN(C(=O)CC/C=C\c2ccccc2)[C@H](CNC(=O)[O-])C1 ZINC000828494128 594436231 /nfs/dbraw/zinc/43/62/31/594436231.db2.gz HBEADGHAKHTNNM-MEMKZHQFSA-N 0 2 331.416 1.890 20 0 EDADLN C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(C(=O)[O-])nc3)CC2)S1 ZINC000828500597 594438206 /nfs/dbraw/zinc/43/82/06/594438206.db2.gz UYERXEFEIGAYRS-SNVBAGLBSA-N 0 2 334.401 1.029 20 0 EDADLN C[N@@H+]1CCN(C(=O)NCc2ccccc2Cl)[C@H](CNC(=O)[O-])C1 ZINC000828507363 594439723 /nfs/dbraw/zinc/43/97/23/594439723.db2.gz PUANAMGWOILTBY-GFCCVEGCSA-N 0 2 340.811 1.433 20 0 EDADLN C[N@H+]1CCN(C(=O)NCc2ccccc2Cl)[C@H](CNC(=O)[O-])C1 ZINC000828507363 594439725 /nfs/dbraw/zinc/43/97/25/594439725.db2.gz PUANAMGWOILTBY-GFCCVEGCSA-N 0 2 340.811 1.433 20 0 EDADLN C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)no1 ZINC000830623880 594441683 /nfs/dbraw/zinc/44/16/83/594441683.db2.gz LZOMABQKIUPMPY-MNOVXSKESA-N 0 2 338.408 1.374 20 0 EDADLN C[N@@H+]1CCN(C(=O)c2cccc3ccccc32)[C@@H](CNC(=O)[O-])C1 ZINC000828512909 594441856 /nfs/dbraw/zinc/44/18/56/594441856.db2.gz BTESHICVGKNEGP-AWEZNQCLSA-N 0 2 327.384 1.864 20 0 EDADLN C[N@H+]1CCN(C(=O)c2cccc3ccccc32)[C@@H](CNC(=O)[O-])C1 ZINC000828512909 594441860 /nfs/dbraw/zinc/44/18/60/594441860.db2.gz BTESHICVGKNEGP-AWEZNQCLSA-N 0 2 327.384 1.864 20 0 EDADLN Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)CCCN(C)C(=O)[O-])C2)o1 ZINC000830623973 594441924 /nfs/dbraw/zinc/44/19/24/594441924.db2.gz DTEFDVQTBZGAGI-ZDUSSCGKSA-N 0 2 338.408 1.406 20 0 EDADLN Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)CCCN(C)C(=O)[O-])C2)o1 ZINC000830623973 594441926 /nfs/dbraw/zinc/44/19/26/594441926.db2.gz DTEFDVQTBZGAGI-ZDUSSCGKSA-N 0 2 338.408 1.406 20 0 EDADLN Cn1cc(-c2nn[nH]n2)c(=O)n(CCc2ccc3ccccc3c2)c1=O ZINC000826357189 594442686 /nfs/dbraw/zinc/44/26/86/594442686.db2.gz VKMYDMZANPZQRX-UHFFFAOYSA-N 0 2 348.366 1.123 20 0 EDADLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cccc3[nH]cnc32)C1 ZINC000830815580 594485396 /nfs/dbraw/zinc/48/53/96/594485396.db2.gz BZZOMJNVHASSEO-CQSZACIVSA-N 0 2 340.305 1.846 20 0 EDADLN CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1CC)C(=O)[O-] ZINC000828720695 594487875 /nfs/dbraw/zinc/48/78/75/594487875.db2.gz YHQVKUMHHZSVEM-SCRDCRAPSA-N 0 2 328.409 1.020 20 0 EDADLN CC[C@H](C)[C@H](NC(=O)COC(=O)[C@H]1CCCC[N@H+]1CC)C(=O)[O-] ZINC000828720695 594487878 /nfs/dbraw/zinc/48/78/78/594487878.db2.gz YHQVKUMHHZSVEM-SCRDCRAPSA-N 0 2 328.409 1.020 20 0 EDADLN Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)CN(C)C(=O)[O-])CC1 ZINC000830913680 594511377 /nfs/dbraw/zinc/51/13/77/594511377.db2.gz IOMWXKHNLNXUJI-LLVKDONJSA-N 0 2 338.408 1.182 20 0 EDADLN CO[C@H](CNC(=O)C(C)(C)[NH+]1CCN(C(=O)[O-])CC1)C(C)(C)C ZINC000828835385 594513023 /nfs/dbraw/zinc/51/30/23/594513023.db2.gz BCSARFOAOPRYIW-GFCCVEGCSA-N 0 2 329.441 1.238 20 0 EDADLN c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(-c2nn[nH]n2)n1 ZINC000826516092 594514360 /nfs/dbraw/zinc/51/43/60/594514360.db2.gz WOCOMTIEYFSKAU-PBHICJAKSA-N 0 2 339.447 1.710 20 0 EDADLN c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc(-c2nn[nH]n2)n1 ZINC000826516092 594514363 /nfs/dbraw/zinc/51/43/63/594514363.db2.gz WOCOMTIEYFSKAU-PBHICJAKSA-N 0 2 339.447 1.710 20 0 EDADLN CC[C@@]1(C(C)C)NC(=O)N(C[N@@H+]2CCC[C@H]2CN(C)C(=O)[O-])C1=O ZINC000826643666 594545778 /nfs/dbraw/zinc/54/57/78/594545778.db2.gz AHSCZBZFCNKUTF-LRDDRELGSA-N 0 2 340.424 1.375 20 0 EDADLN CC[C@@]1(C(C)C)NC(=O)N(C[N@H+]2CCC[C@H]2CN(C)C(=O)[O-])C1=O ZINC000826643666 594545780 /nfs/dbraw/zinc/54/57/80/594545780.db2.gz AHSCZBZFCNKUTF-LRDDRELGSA-N 0 2 340.424 1.375 20 0 EDADLN COc1c(C)c[nH+]c(CN(C)C(=O)[C@]2(F)CCN(C(=O)[O-])C2)c1C ZINC000829067096 594561366 /nfs/dbraw/zinc/56/13/66/594561366.db2.gz QVNYDTDZJYMREK-INIZCTEOSA-N 0 2 339.367 1.757 20 0 EDADLN CCCC[C@@H](CNC(=O)[O-])NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000826800887 594578684 /nfs/dbraw/zinc/57/86/84/594578684.db2.gz MXCPNDUAKYCNOE-ZDUSSCGKSA-N 0 2 331.376 1.824 20 0 EDADLN O=C(C[C@@H]1CCCN1C(=O)[O-])NCc1ccc(N2CCCC2)[nH+]c1 ZINC000831336039 594610252 /nfs/dbraw/zinc/61/02/52/594610252.db2.gz WWJIZUCYVHGBNW-AWEZNQCLSA-N 0 2 332.404 1.831 20 0 EDADLN CC[N@H+](CC(=O)Nc1cccc(NC(C)=O)c1)C1CN(C(=O)[O-])C1 ZINC000827014365 594623575 /nfs/dbraw/zinc/62/35/75/594623575.db2.gz DKHMHQVEPUUSSS-UHFFFAOYSA-N 0 2 334.376 1.268 20 0 EDADLN CC[N@@H+](CC(=O)Nc1cccc(NC(C)=O)c1)C1CN(C(=O)[O-])C1 ZINC000827014365 594623577 /nfs/dbraw/zinc/62/35/77/594623577.db2.gz DKHMHQVEPUUSSS-UHFFFAOYSA-N 0 2 334.376 1.268 20 0 EDADLN COC(=O)c1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1C(=O)[O-] ZINC000831424089 594627877 /nfs/dbraw/zinc/62/78/77/594627877.db2.gz ONOOCVIPODRLSM-UHFFFAOYSA-N 0 2 346.343 1.580 20 0 EDADLN Cc1nc(SCC(C)C)sc1CC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000829546362 594636406 /nfs/dbraw/zinc/63/64/06/594636406.db2.gz LPIVZVPPWCNOSD-UHFFFAOYSA-N 0 2 341.462 1.882 20 0 EDADLN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000827386268 594667480 /nfs/dbraw/zinc/66/74/80/594667480.db2.gz RVLJORORSHBOLB-NSHDSACASA-N 0 2 346.836 1.510 20 0 EDADLN C[C@@H](CC(=O)[O-])[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000827385729 594667488 /nfs/dbraw/zinc/66/74/88/594667488.db2.gz OADVTCIOOVTABQ-NSHDSACASA-N 0 2 346.836 1.510 20 0 EDADLN O=C([O-])N1CCCC[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000831725691 594696646 /nfs/dbraw/zinc/69/66/46/594696646.db2.gz HQZVFIFKQMEUQN-CYBMUJFWSA-N 0 2 331.376 1.666 20 0 EDADLN O=C([O-])N1CCN2C(=O)N(C[N@@H+]3CCc4sccc4C3)C[C@@H]2C1 ZINC000832042591 594721433 /nfs/dbraw/zinc/72/14/33/594721433.db2.gz PSUWMIBPHXXTRF-LBPRGKRZSA-N 0 2 336.417 1.164 20 0 EDADLN O=C([O-])N1CCN2C(=O)N(C[N@H+]3CCc4sccc4C3)C[C@@H]2C1 ZINC000832042591 594721434 /nfs/dbraw/zinc/72/14/34/594721434.db2.gz PSUWMIBPHXXTRF-LBPRGKRZSA-N 0 2 336.417 1.164 20 0 EDADLN CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCCC1N=NC(=S)O1 ZINC000832362484 594744910 /nfs/dbraw/zinc/74/49/10/594744910.db2.gz AELGCTFRXDXNRM-GFCCVEGCSA-N 0 2 337.401 1.236 20 0 EDADLN CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCCc1n[nH]c(=S)o1 ZINC000832362484 594744911 /nfs/dbraw/zinc/74/49/11/594744911.db2.gz AELGCTFRXDXNRM-GFCCVEGCSA-N 0 2 337.401 1.236 20 0 EDADLN O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000832515261 594755715 /nfs/dbraw/zinc/75/57/15/594755715.db2.gz QFAVNVJYVDRAKM-JSGCOSHPSA-N 0 2 349.435 1.845 20 0 EDADLN CONC(=O)CNC(=O)CCCc1ccc(Br)cc1 ZINC000832741318 594773186 /nfs/dbraw/zinc/77/31/86/594773186.db2.gz OCKAASBSJJPRAY-UHFFFAOYSA-N 0 2 329.194 1.566 20 0 EDADLN Cc1cc2ncn(CN(CC[NH+]3CCOCC3)CC(=O)[O-])c2cc1C ZINC000832906509 594784349 /nfs/dbraw/zinc/78/43/49/594784349.db2.gz JJZIFXMNUWIIPN-UHFFFAOYSA-N 0 2 346.431 1.329 20 0 EDADLN Cc1cn2cc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)ccc2[nH+]1 ZINC000832985174 594789158 /nfs/dbraw/zinc/78/91/58/594789158.db2.gz FLIDHEMNEHPRCJ-UHFFFAOYSA-N 0 2 334.357 1.480 20 0 EDADLN Cc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C(=O)[O-])cc3)C2)[nH]1 ZINC000832997320 594790159 /nfs/dbraw/zinc/79/01/59/594790159.db2.gz WTVYETFNPNTYCD-CYBMUJFWSA-N 0 2 343.387 1.629 20 0 EDADLN Cc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C(=O)[O-])cc3)C2)[nH]1 ZINC000832997320 594790160 /nfs/dbraw/zinc/79/01/60/594790160.db2.gz WTVYETFNPNTYCD-CYBMUJFWSA-N 0 2 343.387 1.629 20 0 EDADLN Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000832997320 594790161 /nfs/dbraw/zinc/79/01/61/594790161.db2.gz WTVYETFNPNTYCD-CYBMUJFWSA-N 0 2 343.387 1.629 20 0 EDADLN Cc1n[nH]c([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C(=O)[O-])cc3)C2)n1 ZINC000832997320 594790162 /nfs/dbraw/zinc/79/01/62/594790162.db2.gz WTVYETFNPNTYCD-CYBMUJFWSA-N 0 2 343.387 1.629 20 0 EDADLN Cc1nc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(C(=O)[O-])cc3)C2)n[nH]1 ZINC000832997320 594790163 /nfs/dbraw/zinc/79/01/63/594790163.db2.gz WTVYETFNPNTYCD-CYBMUJFWSA-N 0 2 343.387 1.629 20 0 EDADLN Cc1nc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(C(=O)[O-])cc3)C2)n[nH]1 ZINC000832997320 594790164 /nfs/dbraw/zinc/79/01/64/594790164.db2.gz WTVYETFNPNTYCD-CYBMUJFWSA-N 0 2 343.387 1.629 20 0 EDADLN Cc1nc(N(C)C)nc(NC[C@H](Cc2cccc(F)c2)C(=O)[O-])[nH+]1 ZINC000833003751 594790473 /nfs/dbraw/zinc/79/04/73/594790473.db2.gz XBRKSJPPHYCINO-LBPRGKRZSA-N 0 2 333.367 1.741 20 0 EDADLN Cc1nc(NC[C@H](Cc2cccc(F)c2)C(=O)[O-])nc(N(C)C)[nH+]1 ZINC000833003751 594790474 /nfs/dbraw/zinc/79/04/74/594790474.db2.gz XBRKSJPPHYCINO-LBPRGKRZSA-N 0 2 333.367 1.741 20 0 EDADLN NC(Cc1cccnc1)=[NH+]OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000833089789 594797023 /nfs/dbraw/zinc/79/70/23/594797023.db2.gz YGVAYFAYDYFXBF-UHFFFAOYSA-N 0 2 328.328 1.459 20 0 EDADLN O=C([O-])c1ccccc1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000833108961 594798708 /nfs/dbraw/zinc/79/87/08/594798708.db2.gz BSDGUOUSCHJFQW-QGZVFWFLSA-N 0 2 340.379 1.915 20 0 EDADLN O=C([O-])c1ccccc1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000833108961 594798709 /nfs/dbraw/zinc/79/87/09/594798709.db2.gz BSDGUOUSCHJFQW-QGZVFWFLSA-N 0 2 340.379 1.915 20 0 EDADLN O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000833132092 594800314 /nfs/dbraw/zinc/80/03/14/594800314.db2.gz RRTJPFVBOOKOGL-QWHCGFSZSA-N 0 2 343.387 1.816 20 0 EDADLN O=C([O-])[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1ccc(F)cc1 ZINC000833168012 594802368 /nfs/dbraw/zinc/80/23/68/594802368.db2.gz SCMBXJBPPROPTN-CABCVRRESA-N 0 2 336.363 1.321 20 0 EDADLN O=C([O-])[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cccnc1 ZINC000833168298 594802388 /nfs/dbraw/zinc/80/23/88/594802388.db2.gz VWGYYAGLXWFFAD-HIFRSBDPSA-N 0 2 329.331 1.742 20 0 EDADLN CCOc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]2CC(C)C)cn1 ZINC000835286864 594808402 /nfs/dbraw/zinc/80/84/02/594808402.db2.gz LNLXBZXUJABOBD-DGCLKSJQSA-N 0 2 326.418 1.967 20 0 EDADLN CC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCC3)=NC2=O)cc1 ZINC000840700849 594811587 /nfs/dbraw/zinc/81/15/87/594811587.db2.gz FXRHGQUMPQHPNW-CYBMUJFWSA-N 0 2 331.397 1.922 20 0 EDADLN O=C([O-])Cc1csc(NC(=O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000833269542 594816796 /nfs/dbraw/zinc/81/67/96/594816796.db2.gz RCKHWJQMPSAENB-UHFFFAOYSA-N 0 2 331.397 1.767 20 0 EDADLN O=C([O-])Cc1csc(NC(=O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000833269542 594816798 /nfs/dbraw/zinc/81/67/98/594816798.db2.gz RCKHWJQMPSAENB-UHFFFAOYSA-N 0 2 331.397 1.767 20 0 EDADLN O=C([O-])Cn1cc(NC(=O)c2ccccc2C[NH+]2CCOCC2)cn1 ZINC000833273274 594818343 /nfs/dbraw/zinc/81/83/43/594818343.db2.gz GKIKKBHRZQLHQV-UHFFFAOYSA-N 0 2 344.371 1.052 20 0 EDADLN O=C([O-])c1nn(C[NH+]2CCN(c3cnccn3)CC2)c2ccccc21 ZINC000833346684 594831461 /nfs/dbraw/zinc/83/14/61/594831461.db2.gz NBIMBQHUGJPFCG-UHFFFAOYSA-N 0 2 338.371 1.304 20 0 EDADLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCC[C@@H]1CCc2ccccc21 ZINC000833399310 594840770 /nfs/dbraw/zinc/84/07/70/594840770.db2.gz WQZXJPRPLUCCJO-ZDUSSCGKSA-N 0 2 337.383 1.308 20 0 EDADLN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[NH+]2CCC(O)(C(=O)[O-])CC2)c1C ZINC000833401601 594841165 /nfs/dbraw/zinc/84/11/65/594841165.db2.gz YQUPWDVBIWZSDV-NSHDSACASA-N 0 2 336.388 1.317 20 0 EDADLN CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833411198 594844052 /nfs/dbraw/zinc/84/40/52/594844052.db2.gz NCDGEWAARBPUBN-NWDGAFQWSA-N 0 2 340.449 1.683 20 0 EDADLN CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833411198 594844054 /nfs/dbraw/zinc/84/40/54/594844054.db2.gz NCDGEWAARBPUBN-NWDGAFQWSA-N 0 2 340.449 1.683 20 0 EDADLN CC(C)(C)c1ncc(C[N@H+](CCN2CCOCC2)CC(=O)[O-])s1 ZINC000833451097 594850210 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EDADLN CCc1c(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)ccn1C ZINC000999868321 707508942 /nfs/dbraw/zinc/50/89/42/707508942.db2.gz WGXDGWMDIZZRQU-NSHDSACASA-N 0 2 335.301 1.429 20 0 EDADLN CCc1c(C(=O)NC2CN(C(=O)[C@H](F)C(F)(F)F)C2)ccn1C ZINC000999868321 707508946 /nfs/dbraw/zinc/50/89/46/707508946.db2.gz WGXDGWMDIZZRQU-NSHDSACASA-N 0 2 335.301 1.429 20 0 EDADLN O=C(NC[C@H]1COCCN1C(=O)C1=CCCC1)C(F)C(F)(F)F ZINC001061639412 707541295 /nfs/dbraw/zinc/54/12/95/707541295.db2.gz QOUPDXGVBLXAHZ-WDEREUQCSA-N 0 2 338.301 1.341 20 0 EDADLN O=C(NC[C@H]1COCCN1C(=O)C1=CCCC1)[C@@H](F)C(F)(F)F ZINC001061639412 707541298 /nfs/dbraw/zinc/54/12/98/707541298.db2.gz QOUPDXGVBLXAHZ-WDEREUQCSA-N 0 2 338.301 1.341 20 0 EDADLN CN(C(=O)c1occc1Cl)[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001033393624 707728925 /nfs/dbraw/zinc/72/89/25/707728925.db2.gz SUUMBLQEOBFAIS-MRVPVSSYSA-N 0 2 325.756 1.103 20 0 EDADLN C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1)c1cccs1 ZINC001033416321 707795315 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710393770 /nfs/dbraw/zinc/39/37/70/710393770.db2.gz ONHPASQLWVAFQL-UHFFFAOYSA-N 0 2 337.330 1.183 20 0 EDADLN CCCCCC(=O)NC[C@H]1COCCN1C(=O)C(F)C(F)(F)F ZINC001061292884 710465563 /nfs/dbraw/zinc/46/55/63/710465563.db2.gz CKKTZWWUIRCGSW-CMPLNLGQSA-N 0 2 342.333 1.811 20 0 EDADLN CCCCCC(=O)NC[C@H]1COCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001061292884 710465564 /nfs/dbraw/zinc/46/55/64/710465564.db2.gz CKKTZWWUIRCGSW-CMPLNLGQSA-N 0 2 342.333 1.811 20 0 EDADLN Cc1cnc(C(=O)N[C@H](C)C2CN(C(=O)C(F)C(F)(F)F)C2)cn1 ZINC001005633722 710785889 /nfs/dbraw/zinc/78/58/89/710785889.db2.gz ROVPESDKRGEVDB-KCJUWKMLSA-N 0 2 348.300 1.262 20 0 EDADLN Cc1cnc(C(=O)N[C@H](C)C2CN(C(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC001005633722 710785893 /nfs/dbraw/zinc/78/58/93/710785893.db2.gz ROVPESDKRGEVDB-KCJUWKMLSA-N 0 2 348.300 1.262 20 0 EDADLN Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](CCOc3ccccc3)C2)c1[O-] ZINC001033017715 711295374 /nfs/dbraw/zinc/29/53/74/711295374.db2.gz WGEOINHXQUHSQT-CQSZACIVSA-N 0 2 344.415 1.649 20 0 EDADLN Cc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](CCOc3ccccc3)C2)c1[O-] ZINC001033017715 711295378 /nfs/dbraw/zinc/29/53/78/711295378.db2.gz WGEOINHXQUHSQT-CQSZACIVSA-N 0 2 344.415 1.649 20 0 EDADLN Cc1[nH]nc(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ncc(C(C)C)o2)c1[O-] ZINC001034908977 711334949 /nfs/dbraw/zinc/33/49/49/711334949.db2.gz WPGVXEUAVWLQIV-GFCCVEGCSA-N 0 2 347.419 1.930 20 0 EDADLN CN(C(=O)C[C@@H]1CCC(F)(F)C1)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001033133095 711897396 /nfs/dbraw/zinc/89/73/96/711897396.db2.gz AYDSKIMCWNQDDM-QWRGUYRKSA-N 0 2 343.378 1.369 20 0 EDADLN CN(C(=O)C[C@@H]1CCC(F)(F)C1)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001033133095 711897398 /nfs/dbraw/zinc/89/73/98/711897398.db2.gz AYDSKIMCWNQDDM-QWRGUYRKSA-N 0 2 343.378 1.369 20 0 EDADLN COC[C@@H]1CCN(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)C1 ZINC000558681037 306243642 /nfs/dbraw/zinc/24/36/42/306243642.db2.gz HDJSITQQFOIOMF-SNVBAGLBSA-N 0 2 336.417 1.917 20 0 EDADLN CC(C)(C)c1nnc(CNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)[nH]1 ZINC000412415920 304005647 /nfs/dbraw/zinc/00/56/47/304005647.db2.gz IIPCLHODJRPHAX-UHFFFAOYSA-N 0 2 342.359 1.376 20 0 EDADLN CC(C)(C)Oc1nc(NCc2n[nH]c(=O)[nH]2)ncc1Br ZINC000342515391 539761708 /nfs/dbraw/zinc/76/17/08/539761708.db2.gz SVJYPKULSPPNAX-UHFFFAOYSA-N 0 2 343.185 1.852 20 0 EDADLN NS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000040222521 213282253 /nfs/dbraw/zinc/28/22/53/213282253.db2.gz OWNUPNFBPOCQJW-UHFFFAOYSA-N 0 2 346.817 1.788 20 0 EDADLN CCc1noc(C)c1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000164845142 540064635 /nfs/dbraw/zinc/06/46/35/540064635.db2.gz VGRVXKDUSJSXCL-UHFFFAOYSA-N 0 2 344.414 1.750 20 0 EDADLN CSc1ccc(N2C[C@@H](C(=O)Nc3nc(C)n[nH]3)CC2=O)cc1 ZINC000103255729 138299079 /nfs/dbraw/zinc/29/90/79/138299079.db2.gz UVRNLUXVPGIJDB-JTQLQIEISA-N 0 2 331.401 1.827 20 0 EDADLN CC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])Oc1ccccc1C ZINC000563588489 306340186 /nfs/dbraw/zinc/34/01/86/306340186.db2.gz PTMBWCPANIJAKD-HOTGVXAUSA-N 0 2 334.464 1.437 20 0 EDADLN Cn1ncc2c1[nH]cc(C(=O)N[C@@H](CO)c1ccc(Cl)cc1)c2=O ZINC000123714975 138320734 /nfs/dbraw/zinc/32/07/34/138320734.db2.gz LPAQANPONOZKOE-ZDUSSCGKSA-N 0 2 346.774 1.791 20 0 EDADLN Cc1cc(N2CCN(c3ccc(C(=O)[O-])nn3)CC2)nc(C(C)C)[nH+]1 ZINC000563814991 306348403 /nfs/dbraw/zinc/34/84/03/306348403.db2.gz ZBGNYCCXMKUTDQ-UHFFFAOYSA-N 0 2 342.403 1.723 20 0 EDADLN C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@H+](C)CC(=O)[O-] ZINC000130165782 223128359 /nfs/dbraw/zinc/12/83/59/223128359.db2.gz YRGZBXJSXPEHOR-NSHDSACASA-N 0 2 328.796 1.582 20 0 EDADLN C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[N@@H+](C)CC(=O)[O-] ZINC000130165782 223128362 /nfs/dbraw/zinc/12/83/62/223128362.db2.gz YRGZBXJSXPEHOR-NSHDSACASA-N 0 2 328.796 1.582 20 0 EDADLN COc1cccc2c1[nH+]cc(C(=O)[O-])c2N1CC[C@H](CO)[C@H](O)C1 ZINC000565483860 306384865 /nfs/dbraw/zinc/38/48/65/306384865.db2.gz RMYWBGMEZMEIDX-ZWNOBZJWSA-N 0 2 332.356 1.121 20 0 EDADLN Cc1noc(CCCC(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)n1 ZINC000195102282 139007069 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HSGAGLXEQAKYFO-RYUDHWBXSA-N 0 2 339.461 1.972 20 0 EDADLN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@@H+]1CC(=O)N(C)CC(F)(F)F ZINC000739013140 602261948 /nfs/dbraw/zinc/26/19/48/602261948.db2.gz XYXVHWDWWIDESD-ZJUUUORDSA-N 0 2 325.331 1.518 20 0 EDADLN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CC(=O)N(C)CC(F)(F)F ZINC000739013140 602261949 /nfs/dbraw/zinc/26/19/49/602261949.db2.gz XYXVHWDWWIDESD-ZJUUUORDSA-N 0 2 325.331 1.518 20 0 EDADLN CCC[C@@H](NC(=O)[O-])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000739315171 602346427 /nfs/dbraw/zinc/34/64/27/602346427.db2.gz WKBCSYAQAZDNHN-CYBMUJFWSA-N 0 2 325.434 1.829 20 0 EDADLN O=C([O-])N1CCC(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000738642045 602517330 /nfs/dbraw/zinc/51/73/30/602517330.db2.gz XOCBQFWSCDRWQC-HNNXBMFYSA-N 0 2 339.436 1.090 20 0 EDADLN CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000739226719 602563598 /nfs/dbraw/zinc/56/35/98/602563598.db2.gz AWSWRENJIHOOSV-KWQFWETISA-N 0 2 326.422 1.752 20 0 EDADLN CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000739226719 602563599 /nfs/dbraw/zinc/56/35/99/602563599.db2.gz AWSWRENJIHOOSV-KWQFWETISA-N 0 2 326.422 1.752 20 0 EDADLN C[C@@H]1CCCC[C@H]1NC(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000739097863 602609163 /nfs/dbraw/zinc/60/91/63/602609163.db2.gz IWRAXXCERMDTKN-ZIAGYGMSSA-N 0 2 326.441 1.502 20 0 EDADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)NC[C@H]1Cc2ccccc21 ZINC000739685540 602622912 /nfs/dbraw/zinc/62/29/12/602622912.db2.gz XBNLLMAUULLJRP-OAHLLOKOSA-N 0 2 346.431 1.263 20 0 EDADLN CN(C[C@@H]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1)C(=O)[O-] ZINC000739650390 602625187 /nfs/dbraw/zinc/62/51/87/602625187.db2.gz QEPZPQAMMPVAGS-AWEZNQCLSA-N 0 2 346.431 1.644 20 0 EDADLN CC(C)[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)NC(=O)[O-] ZINC000738792532 602779030 /nfs/dbraw/zinc/77/90/30/602779030.db2.gz XFZCESWZQOAUPN-OAHLLOKOSA-N 0 2 330.388 1.953 20 0 EDADLN C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C[C@H](C)N1C(=O)[O-] ZINC000739197350 602816660 /nfs/dbraw/zinc/81/66/60/602816660.db2.gz YNKQDKPTPIDPPR-HZSPNIEDSA-N 0 2 349.435 1.262 20 0 EDADLN C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)C[C@H](C)N1C(=O)[O-] ZINC000739197350 602816662 /nfs/dbraw/zinc/81/66/62/602816662.db2.gz YNKQDKPTPIDPPR-HZSPNIEDSA-N 0 2 349.435 1.262 20 0 EDADLN C[C@@H]1C[NH+](CC(=O)N2CCc3ccccc3C2)C[C@@H](C)N1C(=O)[O-] ZINC000739171663 602838307 /nfs/dbraw/zinc/83/83/07/602838307.db2.gz IYGHVEYANOUMPY-ZIAGYGMSSA-N 0 2 331.416 1.644 20 0 EDADLN C[C@H](C(=O)NCCc1cccs1)[NH+]1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000738631953 602938538 /nfs/dbraw/zinc/93/85/38/602938538.db2.gz XNLHMIHEIQFXGG-RWMBFGLXSA-N 0 2 339.461 1.868 20 0 EDADLN CC(C)(CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)NC(=O)[O-] ZINC000738734931 602993886 /nfs/dbraw/zinc/99/38/86/602993886.db2.gz LQXJZTRXHLZYPG-UHFFFAOYSA-N 0 2 335.404 1.894 20 0 EDADLN CC(=O)c1ccccc1C(=O)NCCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000738601679 603088724 /nfs/dbraw/zinc/08/87/24/603088724.db2.gz MXCZJYCWHVUYNN-UHFFFAOYSA-N 0 2 333.388 1.305 20 0 EDADLN C[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)[O-])Cn1cc[nH+]c1 ZINC000738916737 603187952 /nfs/dbraw/zinc/18/79/52/603187952.db2.gz RWUZBWXOOBGFSM-ZFWWWQNUSA-N 0 2 330.388 1.514 20 0 EDADLN CC(C)C[C@]1(C)CC(=O)N(C[NH+]2CCC(NC(=O)[O-])CC2)C1=O ZINC000738824120 603390790 /nfs/dbraw/zinc/39/07/90/603390790.db2.gz OTNGCAFYLUCHJJ-MRXNPFEDSA-N 0 2 325.409 1.487 20 0 EDADLN C[C@]12CN(C(=O)c3cc[nH]n3)C[C@H]1CN(C(=O)C(F)C(F)(F)F)C2 ZINC000992639618 695150391 /nfs/dbraw/zinc/15/03/91/695150391.db2.gz ZFKPUBVWHZQZSU-GMOODISLSA-N 0 2 348.300 1.231 20 0 EDADLN C[C@]12CN(C(=O)c3ccn[nH]3)C[C@H]1CN(C(=O)C(F)C(F)(F)F)C2 ZINC000992639618 695150393 /nfs/dbraw/zinc/15/03/93/695150393.db2.gz ZFKPUBVWHZQZSU-GMOODISLSA-N 0 2 348.300 1.231 20 0 EDADLN CCc1[nH]ccc1C(=O)N[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000993317509 695962620 /nfs/dbraw/zinc/96/26/20/695962620.db2.gz SZCJZWQJCCMDED-GWCFXTLKSA-N 0 2 332.408 1.184 20 0 EDADLN CCc1[nH]ccc1C(=O)N[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC000993317509 695962623 /nfs/dbraw/zinc/96/26/23/695962623.db2.gz SZCJZWQJCCMDED-GWCFXTLKSA-N 0 2 332.408 1.184 20 0 EDADLN Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[nH]3)[C@@H]2C)nc1C ZINC000993611202 696257764 /nfs/dbraw/zinc/25/77/64/696257764.db2.gz IDFQONDWJFLGID-CHWSQXEVSA-N 0 2 344.419 1.305 20 0 EDADLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1CNC(=O)c1ccncc1 ZINC000993693435 696330597 /nfs/dbraw/zinc/33/05/97/696330597.db2.gz RBVLBUOEYUOYNJ-YUSALJHKSA-N 0 2 347.312 1.806 20 0 EDADLN C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1CNC(=O)c1ccncc1 ZINC000993693435 696330599 /nfs/dbraw/zinc/33/05/99/696330599.db2.gz RBVLBUOEYUOYNJ-YUSALJHKSA-N 0 2 347.312 1.806 20 0 EDADLN O=C(NC1CN(Cc2n[nH]c(=O)[nH]2)C1)C1(c2ccccc2)CCCC1 ZINC001031355002 696875474 /nfs/dbraw/zinc/87/54/74/696875474.db2.gz KWVCKRIXHPHXTA-UHFFFAOYSA-N 0 2 341.415 1.323 20 0 EDADLN O=C(NC1CN(Cc2n[nH]c(=O)[nH]2)C1)C1CC(c2ccccc2)C1 ZINC001031471495 697153919 /nfs/dbraw/zinc/15/39/19/697153919.db2.gz MEDNHFMFCSOXPI-UHFFFAOYSA-N 0 2 327.388 1.005 20 0 EDADLN CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H](C)c2cnccn2)C1 ZINC001031667042 697448175 /nfs/dbraw/zinc/44/81/75/697448175.db2.gz WJWDGDKUWLZPCX-WMLDXEAASA-N 0 2 331.464 1.458 20 0 EDADLN CO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)C(F)C(F)(F)F)CC1 ZINC001060746554 697510861 /nfs/dbraw/zinc/51/08/61/697510861.db2.gz GTKGOTQUQLGULC-XWLWVQCSSA-N 0 2 342.333 1.713 20 0 EDADLN CO[C@@H](C)C(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001060746554 697510863 /nfs/dbraw/zinc/51/08/63/697510863.db2.gz GTKGOTQUQLGULC-XWLWVQCSSA-N 0 2 342.333 1.713 20 0 EDADLN Cc1nc2cc[nH]n2c(=O)c1CC(=O)OCC(Cl)(Cl)Cl ZINC000184615845 697631561 /nfs/dbraw/zinc/63/15/61/697631561.db2.gz HPEHWLJLCZGBOA-UHFFFAOYSA-N 0 2 338.578 1.787 20 0 EDADLN O=C(N[C@@H]1CCCCN(C(=O)C(F)C(F)(F)F)C1)c1cn[nH]c1 ZINC000943111739 697713146 /nfs/dbraw/zinc/71/31/46/697713146.db2.gz ZHBONBFSURGFNX-NXEZZACHSA-N 0 2 336.289 1.421 20 0 EDADLN O=C(N[C@@H]1CCCCN(C(=O)[C@@H](F)C(F)(F)F)C1)c1cn[nH]c1 ZINC000943111739 697713148 /nfs/dbraw/zinc/71/31/48/697713148.db2.gz ZHBONBFSURGFNX-NXEZZACHSA-N 0 2 336.289 1.421 20 0 EDADLN CN(C(=O)C1=CCOCC1)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000938646727 698406990 /nfs/dbraw/zinc/40/69/90/698406990.db2.gz KKLGELULZFACEH-WDEREUQCSA-N 0 2 338.301 1.293 20 0 EDADLN CN(C(=O)C1=CCOCC1)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000938646727 698406993 /nfs/dbraw/zinc/40/69/93/698406993.db2.gz KKLGELULZFACEH-WDEREUQCSA-N 0 2 338.301 1.293 20 0 EDADLN CN(C(=O)Cc1ccco1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000938647533 698408886 /nfs/dbraw/zinc/40/88/86/698408886.db2.gz ZCCNYCNFUFKVFS-SKDRFNHKSA-N 0 2 336.285 1.782 20 0 EDADLN CN(C(=O)Cc1ccco1)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000938647533 698408887 /nfs/dbraw/zinc/40/88/87/698408887.db2.gz ZCCNYCNFUFKVFS-SKDRFNHKSA-N 0 2 336.285 1.782 20 0 EDADLN CN(C(=O)c1cccnn1)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000938647553 698409570 /nfs/dbraw/zinc/40/95/70/698409570.db2.gz ZJJMFULEXKQOJM-WPRPVWTQSA-N 0 2 334.273 1.050 20 0 EDADLN CN(C(=O)c1cccnn1)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000938647553 698409574 /nfs/dbraw/zinc/40/95/74/698409574.db2.gz ZJJMFULEXKQOJM-WPRPVWTQSA-N 0 2 334.273 1.050 20 0 EDADLN COCc1cccc(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC000995041689 700257668 /nfs/dbraw/zinc/25/76/68/700257668.db2.gz WPWNBJQQMBBGDR-LBPRGKRZSA-N 0 2 348.296 1.674 20 0 EDADLN COCc1cccc(C(=O)NC2CN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC000995041689 700257672 /nfs/dbraw/zinc/25/76/72/700257672.db2.gz WPWNBJQQMBBGDR-LBPRGKRZSA-N 0 2 348.296 1.674 20 0 EDADLN C[C@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031876339 700406468 /nfs/dbraw/zinc/40/64/68/700406468.db2.gz SOTLYHZUGAEFTK-YOEHRIQHSA-N 0 2 341.471 1.283 20 0 EDADLN O=C(N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1)c1occ2c1CCC2 ZINC000941723288 701650479 /nfs/dbraw/zinc/65/04/79/701650479.db2.gz XTYJUANWUFDBPV-SKDRFNHKSA-N 0 2 348.296 1.999 20 0 EDADLN O=C(N[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1)c1occ2c1CCC2 ZINC000941723288 701650481 /nfs/dbraw/zinc/65/04/81/701650481.db2.gz XTYJUANWUFDBPV-SKDRFNHKSA-N 0 2 348.296 1.999 20 0 EDADLN Cc1cc[nH]c1C(=O)NC[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC000944067387 702132136 /nfs/dbraw/zinc/13/21/36/702132136.db2.gz IMYHTCUNVUKRGT-MWLCHTKSSA-N 0 2 335.301 1.944 20 0 EDADLN Cc1cc[nH]c1C(=O)NC[C@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000944067387 702132140 /nfs/dbraw/zinc/13/21/40/702132140.db2.gz IMYHTCUNVUKRGT-MWLCHTKSSA-N 0 2 335.301 1.944 20 0 EDADLN Cc1ncc(C(=O)NC[C@H]2CCCN2C(=O)C(F)C(F)(F)F)[nH]1 ZINC000944067851 702133639 /nfs/dbraw/zinc/13/36/39/702133639.db2.gz QFEFCFDOHHWAER-SCZZXKLOSA-N 0 2 336.289 1.339 20 0 EDADLN C[C@H]([NH2+][C@@H]1CN(C(=O)CCc2cn[nH]n2)CC1(C)C)c1ncccn1 ZINC000996326039 702711352 /nfs/dbraw/zinc/71/13/52/702711352.db2.gz OFSUCEPGGPAACF-GXTWGEPZSA-N 0 2 343.435 1.115 20 0 EDADLN O=C(NC1CN(C(=O)C(F)C(F)(F)F)C1)c1cccn2nccc12 ZINC000996355418 702732780 /nfs/dbraw/zinc/73/27/80/702732780.db2.gz PVCKBDSDWNKNBP-LLVKDONJSA-N 0 2 344.268 1.175 20 0 EDADLN 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