smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCCCn1cc[nH+]c1)C[C@@H](C)O2 ZINC000014995057 539609143 /nfs/dbraw/zinc/60/91/43/539609143.db2.gz QYCKLEBBBSZSIQ-QGZVFWFLSA-N 2 2 356.470 2.371 50 0 FEAALP Cc1ccc2c(c1)C[N@H+](CCC(=O)NCCCn1cc[nH+]c1)C[C@@H](C)O2 ZINC000014995057 539609146 /nfs/dbraw/zinc/60/91/46/539609146.db2.gz QYCKLEBBBSZSIQ-QGZVFWFLSA-N 2 2 356.470 2.371 50 0 FEAALP Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)sc2n1 ZINC000024988098 539745716 /nfs/dbraw/zinc/74/57/16/539745716.db2.gz HVLSTJUUTHJRJC-ZDUSSCGKSA-N 2 2 366.450 2.496 50 0 FEAALP CC(C)n1ccc(C[NH+]2CCN(c3cc(NC4CC4)[nH+]c(N)n3)CC2)c1 ZINC000067948066 541531841 /nfs/dbraw/zinc/53/18/41/541531841.db2.gz AOTSIGQYAXJNQP-UHFFFAOYSA-N 2 2 355.490 2.338 50 0 FEAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072149818 541788990 /nfs/dbraw/zinc/78/89/90/541788990.db2.gz HAOWTXOJULYFMC-SFHVURJKSA-N 2 2 354.454 2.138 50 0 FEAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000072149818 541788993 /nfs/dbraw/zinc/78/89/93/541788993.db2.gz HAOWTXOJULYFMC-SFHVURJKSA-N 2 2 354.454 2.138 50 0 FEAALP c1c(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)nn2c1C[NH2+]CC2 ZINC000072168058 541794967 /nfs/dbraw/zinc/79/49/67/541794967.db2.gz SYMLCUIUFXYJGQ-UHFFFAOYSA-N 2 2 364.453 2.416 50 0 FEAALP C[NH+](C)C1(CNC(=O)c2cccc(CCC(C)(C)O)c2)CC[NH+](C)CC1 ZINC000072420199 541808905 /nfs/dbraw/zinc/80/89/05/541808905.db2.gz IBEOGAUQNCPNPN-UHFFFAOYSA-N 2 2 361.530 2.146 50 0 FEAALP c1csc(CCNc2ncnc3c2CC[N@@H+]([C@H]2CCC[NH2+]C2)CC3)c1 ZINC000072454446 541815925 /nfs/dbraw/zinc/81/59/25/541815925.db2.gz MARRTPDVPRLIFY-HNNXBMFYSA-N 2 2 357.527 2.345 50 0 FEAALP c1csc(CCNc2ncnc3c2CC[N@H+]([C@H]2CCC[NH2+]C2)CC3)c1 ZINC000072454446 541815928 /nfs/dbraw/zinc/81/59/28/541815928.db2.gz MARRTPDVPRLIFY-HNNXBMFYSA-N 2 2 357.527 2.345 50 0 FEAALP CC[C@@H](Cn1cc[nH+]c1)Nc1nc(-c2cccnc2)nc2c1CC[NH2+]CC2 ZINC000072479021 541821754 /nfs/dbraw/zinc/82/17/54/541821754.db2.gz LSAILNHVGIMILX-INIZCTEOSA-N 2 2 363.469 2.314 50 0 FEAALP CCC[C@H](Nc1nc(COCC)nc2c1CC[NH2+]CC2)c1[nH+]ccn1C ZINC000072477063 541819554 /nfs/dbraw/zinc/81/95/54/541819554.db2.gz IRRKZNOMOVNMIT-INIZCTEOSA-N 2 2 358.490 2.388 50 0 FEAALP COc1cc(NC(=O)C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cc(OC)c1 ZINC000065470056 205354334 /nfs/dbraw/zinc/35/43/34/205354334.db2.gz WPFTVTUELMXARS-HNNXBMFYSA-N 2 2 358.442 2.251 50 0 FEAALP COc1cc(NC(=O)C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cc(OC)c1 ZINC000065470056 205354339 /nfs/dbraw/zinc/35/43/39/205354339.db2.gz WPFTVTUELMXARS-HNNXBMFYSA-N 2 2 358.442 2.251 50 0 FEAALP Cc1ccsc1[C@@H](CNC(=O)c1cc2n(n1)CCC[N@H+](C)C2)[NH+](C)C ZINC000065370991 205338998 /nfs/dbraw/zinc/33/89/98/205338998.db2.gz MKFRCXZDINDYJS-MRXNPFEDSA-N 2 2 361.515 2.121 50 0 FEAALP Cc1ccsc1[C@@H](CNC(=O)c1cc2n(n1)CCC[N@@H+](C)C2)[NH+](C)C ZINC000065370991 205339003 /nfs/dbraw/zinc/33/90/03/205339003.db2.gz MKFRCXZDINDYJS-MRXNPFEDSA-N 2 2 361.515 2.121 50 0 FEAALP CCC[NH+]1CCN(C(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)CC1 ZINC000067692124 205383903 /nfs/dbraw/zinc/38/39/03/205383903.db2.gz GPHCXJSVXPYEQF-UHFFFAOYSA-N 2 2 356.470 2.474 50 0 FEAALP CCC[NH+]1CCN(C(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)CC1 ZINC000067692124 205383908 /nfs/dbraw/zinc/38/39/08/205383908.db2.gz GPHCXJSVXPYEQF-UHFFFAOYSA-N 2 2 356.470 2.474 50 0 FEAALP Cc1nc(C)c(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)o1 ZINC000095498163 205768072 /nfs/dbraw/zinc/76/80/72/205768072.db2.gz LVGCRAFQPXIXMJ-INIZCTEOSA-N 2 2 359.474 2.459 50 0 FEAALP Cc1cccn2c(CNC(=O)[C@H](c3ccc4c(c3)OCO4)[NH+](C)C)c[nH+]c12 ZINC000219899507 206393788 /nfs/dbraw/zinc/39/37/88/206393788.db2.gz YXBZOHDFRSHNON-SFHVURJKSA-N 2 2 366.421 2.291 50 0 FEAALP COc1ncccc1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095371943 542962592 /nfs/dbraw/zinc/96/25/92/542962592.db2.gz BFRDTBSUKKEXOU-UHFFFAOYSA-N 2 2 371.485 2.258 50 0 FEAALP CCc1nc(N2CC[NH+](C3CCN(C(=O)C(C)C)CC3)CC2)cc(C)[nH+]1 ZINC000065410415 136136301 /nfs/dbraw/zinc/13/63/01/136136301.db2.gz NDCUVWBSCSVDLN-UHFFFAOYSA-N 2 2 359.518 2.116 50 0 FEAALP CCOc1ncccc1C(=O)N1CCC(c2[nH+]ccn2CC[NH+](C)C)CC1 ZINC000095505020 542976461 /nfs/dbraw/zinc/97/64/61/542976461.db2.gz ANISFLSYLNBQSK-UHFFFAOYSA-N 2 2 371.485 2.258 50 0 FEAALP Cn1cc(C[N@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000095527924 542982015 /nfs/dbraw/zinc/98/20/15/542982015.db2.gz FASAWHCMLCGUQG-FQEVSTJZSA-N 2 2 372.513 2.278 50 0 FEAALP Cn1cc(C[N@@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000095527924 542982018 /nfs/dbraw/zinc/98/20/18/542982018.db2.gz FASAWHCMLCGUQG-FQEVSTJZSA-N 2 2 372.513 2.278 50 0 FEAALP O=c1c2c(nc3cc([C@H]4CCC[NH2+]C4)[nH]n31)CC[N@@H+](Cc1ccccc1)C2 ZINC000100003405 543024347 /nfs/dbraw/zinc/02/43/47/543024347.db2.gz HOHOCNXEZPXLTI-INIZCTEOSA-N 2 2 363.465 2.460 50 0 FEAALP O=c1c2c(nc3cc([C@H]4CCC[NH2+]C4)[nH]n31)CC[N@H+](Cc1ccccc1)C2 ZINC000100003405 543024350 /nfs/dbraw/zinc/02/43/50/543024350.db2.gz HOHOCNXEZPXLTI-INIZCTEOSA-N 2 2 363.465 2.460 50 0 FEAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c[nH]nc2-c2cccnc2)nc[nH+]1 ZINC000109069926 543312767 /nfs/dbraw/zinc/31/27/67/543312767.db2.gz KXPQSJNBDVMQDZ-MRXNPFEDSA-N 2 2 364.457 2.062 50 0 FEAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2nc3ccccc3n2C)nc[nH+]1 ZINC000109070490 325657907 /nfs/dbraw/zinc/65/79/07/325657907.db2.gz GFZQFAHBZAGTLZ-CQSZACIVSA-N 2 2 351.458 2.164 50 0 FEAALP CCc1cc(N2CCC(c3[nH+]ccn3CC)CC2)nc(N2CCOCC2)[nH+]1 ZINC000091636623 523794221 /nfs/dbraw/zinc/79/42/21/523794221.db2.gz PHZSWOJBAILFNE-UHFFFAOYSA-N 2 2 370.501 2.476 50 0 FEAALP c1cn(Cc2ccccc2)c([C@H]2CCC[N@@H+](CCCn3cnnn3)C2)[nH+]1 ZINC000082107087 526534654 /nfs/dbraw/zinc/53/46/54/526534654.db2.gz MTZKOLSVOSOGCR-SFHVURJKSA-N 2 2 351.458 2.188 50 0 FEAALP c1cn(Cc2ccccc2)c([C@H]2CCC[N@H+](CCCn3cnnn3)C2)[nH+]1 ZINC000082107087 526534661 /nfs/dbraw/zinc/53/46/61/526534661.db2.gz MTZKOLSVOSOGCR-SFHVURJKSA-N 2 2 351.458 2.188 50 0 FEAALP CCCc1c[nH+]c(C)nc1N1CC[NH2+][C@@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000072149396 535437693 /nfs/dbraw/zinc/43/76/93/535437693.db2.gz UVPCLRDYDZODDA-QGZVFWFLSA-N 2 2 357.433 2.294 50 0 FEAALP Cn1ncc2c1nc(C1CCCC1)nc2N1CC[NH+](CCC[NH+](C)C)CC1 ZINC000072447182 535833303 /nfs/dbraw/zinc/83/33/03/535833303.db2.gz WXGVLVDMLOETEE-UHFFFAOYSA-N 2 2 371.533 2.095 50 0 FEAALP Cc1cc(C(F)(F)F)nc(CCNc2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)n1 ZINC000222400343 548707712 /nfs/dbraw/zinc/70/77/12/548707712.db2.gz ULSQCZXGCGELNB-MGCOHNPYSA-N 2 2 367.379 2.035 50 0 FEAALP Nc1nc(NCc2cnn(-c3cccc(F)c3)c2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244758163 548895327 /nfs/dbraw/zinc/89/53/27/548895327.db2.gz OTKASTDTJYZAEJ-XBXGTLAGSA-N 2 2 353.405 2.200 50 0 FEAALP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000252477155 549666582 /nfs/dbraw/zinc/66/65/82/549666582.db2.gz JERDWRKMGALIND-WOJBJXKFSA-N 2 2 368.477 2.430 50 0 FEAALP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000252477155 549666585 /nfs/dbraw/zinc/66/65/85/549666585.db2.gz JERDWRKMGALIND-WOJBJXKFSA-N 2 2 368.477 2.430 50 0 FEAALP C[NH+]1CCC(C[NH+]2CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)CC1 ZINC000252500851 549669535 /nfs/dbraw/zinc/66/95/35/549669535.db2.gz TWNPZOVEKQIBON-UHFFFAOYSA-N 2 2 351.878 2.145 50 0 FEAALP Cc1[nH+]ccn1-c1ccccc1CNC(=O)N(C)C[C@H](C)[NH+]1CCOCC1 ZINC000426712202 559740914 /nfs/dbraw/zinc/74/09/14/559740914.db2.gz STGFNYSDQIJYTN-INIZCTEOSA-N 2 2 371.485 2.043 50 0 FEAALP COCC[NH+]1CCC(C[N@H+](Cc2nccn2C)Cc2ccncc2)CC1 ZINC000015068801 539610498 /nfs/dbraw/zinc/61/04/98/539610498.db2.gz ONKVQWMLDDKLFQ-UHFFFAOYSA-N 2 2 357.502 2.176 50 0 FEAALP COCC[NH+]1CCC(C[N@@H+](Cc2nccn2C)Cc2ccncc2)CC1 ZINC000015068801 539610503 /nfs/dbraw/zinc/61/05/03/539610503.db2.gz ONKVQWMLDDKLFQ-UHFFFAOYSA-N 2 2 357.502 2.176 50 0 FEAALP COc1cccc(CCC(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000015073331 539611489 /nfs/dbraw/zinc/61/14/89/539611489.db2.gz GHGKVNGPXSSTIM-SFHVURJKSA-N 2 2 359.514 2.303 50 0 FEAALP COc1cccc(CCC(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000015073331 539611494 /nfs/dbraw/zinc/61/14/94/539611494.db2.gz GHGKVNGPXSSTIM-SFHVURJKSA-N 2 2 359.514 2.303 50 0 FEAALP CCCCc1nc(NCCNC(=O)N2CCc3[nH+]c(C)[nH]c3C2)cc(C)[nH+]1 ZINC000534588262 540386570 /nfs/dbraw/zinc/38/65/70/540386570.db2.gz HWVOPWVRZRFPPK-UHFFFAOYSA-N 2 2 371.489 2.339 50 0 FEAALP CCCCc1nc(NCCNC(=O)N2CCc3[nH]c(C)[nH+]c3C2)cc(C)[nH+]1 ZINC000534588262 540386572 /nfs/dbraw/zinc/38/65/72/540386572.db2.gz HWVOPWVRZRFPPK-UHFFFAOYSA-N 2 2 371.489 2.339 50 0 FEAALP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1 ZINC000067909394 541527790 /nfs/dbraw/zinc/52/77/90/541527790.db2.gz WDGMPUMIHYWEEW-MRXNPFEDSA-N 2 2 366.469 2.330 50 0 FEAALP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cn2c(C)[nH+]c3ccccc32)n[nH]1 ZINC000067909394 541527793 /nfs/dbraw/zinc/52/77/93/541527793.db2.gz WDGMPUMIHYWEEW-MRXNPFEDSA-N 2 2 366.469 2.330 50 0 FEAALP CCCCc1[nH]c(C[N@H+]2CCc3nnc(Cc4cccnc4)n3CC2)c[nH+]1 ZINC000072143936 541787125 /nfs/dbraw/zinc/78/71/25/541787125.db2.gz IMBFJLDCMROKLT-UHFFFAOYSA-N 2 2 365.485 2.388 50 0 FEAALP CCCCc1[nH]c(C[N@@H+]2CCc3nnc(Cc4cccnc4)n3CC2)c[nH+]1 ZINC000072143936 541787128 /nfs/dbraw/zinc/78/71/28/541787128.db2.gz IMBFJLDCMROKLT-UHFFFAOYSA-N 2 2 365.485 2.388 50 0 FEAALP C[NH+]1CCC(O)(Cn2cc[nH+]c2-c2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000072144222 541786850 /nfs/dbraw/zinc/78/68/50/541786850.db2.gz CPLDGPYJELNJRD-UHFFFAOYSA-N 2 2 351.353 2.328 50 0 FEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC000072410373 541807328 /nfs/dbraw/zinc/80/73/28/541807328.db2.gz MISKXIFFCODPTK-SFHVURJKSA-N 3 2 374.577 2.322 50 0 FEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC000072410373 541807329 /nfs/dbraw/zinc/80/73/29/541807329.db2.gz MISKXIFFCODPTK-SFHVURJKSA-N 3 2 374.577 2.322 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(F)cc2F)[nH+]cn1 ZINC000072434304 541813289 /nfs/dbraw/zinc/81/32/89/541813289.db2.gz IORUKNQFWRCLHD-UHFFFAOYSA-N 2 2 358.352 2.091 50 0 FEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccccc3)[nH+]c(C)n2)c1C ZINC000072437364 541814070 /nfs/dbraw/zinc/81/40/70/541814070.db2.gz VEVGCJRAMMHOBF-UHFFFAOYSA-N 2 2 350.426 2.429 50 0 FEAALP O=C(CCc1cc2n(n1)CC[NH2+]C2)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000072474162 541818948 /nfs/dbraw/zinc/81/89/48/541818948.db2.gz NWWAIOXYCLXDOH-UHFFFAOYSA-N 2 2 370.844 2.397 50 0 FEAALP OC1CCN(c2cc[nH+]c(NCc3[nH+]ccn3Cc3ccccc3)n2)CC1 ZINC000065498695 205355022 /nfs/dbraw/zinc/35/50/22/205355022.db2.gz XFMGNOPLOXIKNA-UHFFFAOYSA-N 2 2 364.453 2.295 50 0 FEAALP COc1ccc2cc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)c(=O)[nH]c2c1 ZINC000067784183 205390247 /nfs/dbraw/zinc/39/02/47/205390247.db2.gz UZSULCKVEGBXPP-INIZCTEOSA-N 2 2 371.481 2.081 50 0 FEAALP COc1ccc2cc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)c(=O)[nH]c2c1 ZINC000067784183 205390251 /nfs/dbraw/zinc/39/02/51/205390251.db2.gz UZSULCKVEGBXPP-INIZCTEOSA-N 2 2 371.481 2.081 50 0 FEAALP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000067773903 205391061 /nfs/dbraw/zinc/39/10/61/205391061.db2.gz ISRMTXNKVSPVLK-KRWDZBQOSA-N 2 2 356.514 2.345 50 0 FEAALP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000067773903 205391065 /nfs/dbraw/zinc/39/10/65/205391065.db2.gz ISRMTXNKVSPVLK-KRWDZBQOSA-N 2 2 356.514 2.345 50 0 FEAALP O=C1N[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OCCCn3cc[nH+]c3)cc1)C2 ZINC000216030515 206353811 /nfs/dbraw/zinc/35/38/11/206353811.db2.gz BPDFJABRSFMVIB-MSOLQXFVSA-N 2 2 354.454 2.063 50 0 FEAALP O=C1N[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(OCCCn3cc[nH+]c3)cc1)C2 ZINC000216030515 206353814 /nfs/dbraw/zinc/35/38/14/206353814.db2.gz BPDFJABRSFMVIB-MSOLQXFVSA-N 2 2 354.454 2.063 50 0 FEAALP Cc1cc(N2CCCN(c3cc(C4CC(O)C4)[nH+]c(C)n3)CC2)cc[nH+]1 ZINC000219770451 206390464 /nfs/dbraw/zinc/39/04/64/206390464.db2.gz XRRLRGLOYBJFFE-UHFFFAOYSA-N 2 2 353.470 2.443 50 0 FEAALP CCCn1ccnc1C[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C)CC1 ZINC000077298492 542363273 /nfs/dbraw/zinc/36/32/73/542363273.db2.gz MDOICLFHWRJOTQ-UHFFFAOYSA-N 2 2 371.533 2.397 50 0 FEAALP CNc1nc(N2CC[N@H+](Cc3ccsc3)[C@@H](CCO)C2)[nH+]c2c1CCC2 ZINC000106963432 132240632 /nfs/dbraw/zinc/24/06/32/132240632.db2.gz HJEGOKHGHNGSCD-HNNXBMFYSA-N 2 2 373.526 2.142 50 0 FEAALP CNc1nc(N2CC[N@@H+](Cc3ccsc3)[C@@H](CCO)C2)[nH+]c2c1CCC2 ZINC000106963432 132240634 /nfs/dbraw/zinc/24/06/34/132240634.db2.gz HJEGOKHGHNGSCD-HNNXBMFYSA-N 2 2 373.526 2.142 50 0 FEAALP [NH3+][C@H]1C[N@H+](Cc2ccccc2OCC(=O)N2CCCCC2)C[C@@H]1C1CC1 ZINC000091876745 542829827 /nfs/dbraw/zinc/82/98/27/542829827.db2.gz NWCNPHUNCLZLIM-MOPGFXCFSA-N 2 2 357.498 2.247 50 0 FEAALP [NH3+][C@H]1C[N@@H+](Cc2ccccc2OCC(=O)N2CCCCC2)C[C@@H]1C1CC1 ZINC000091876745 542829830 /nfs/dbraw/zinc/82/98/30/542829830.db2.gz NWCNPHUNCLZLIM-MOPGFXCFSA-N 2 2 357.498 2.247 50 0 FEAALP Cc1ccc([C@@H](C(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)[NH+](C)C)cc1 ZINC000092065826 542842732 /nfs/dbraw/zinc/84/27/32/542842732.db2.gz FAZSZXTZMKZDLV-FQEVSTJZSA-N 2 2 372.557 2.274 50 0 FEAALP Cc1ccc([C@@H](C(=O)NCC2(N3CC[NH+](C)CC3)CCCC2)[NH+](C)C)cc1 ZINC000092065826 542842737 /nfs/dbraw/zinc/84/27/37/542842737.db2.gz FAZSZXTZMKZDLV-FQEVSTJZSA-N 2 2 372.557 2.274 50 0 FEAALP Cc1ccc([C@H](C(=O)NC2(C[NH+]3CCOCC3)CCCC2)[NH+](C)C)cc1 ZINC000092021840 542838925 /nfs/dbraw/zinc/83/89/25/542838925.db2.gz PEUNBNGIPCNZLJ-LJQANCHMSA-N 2 2 359.514 2.359 50 0 FEAALP O[C@@H]1CCCOC12CC[NH+](Cc1ccccc1OCCn1cc[nH+]c1)CC2 ZINC000095390996 542968099 /nfs/dbraw/zinc/96/80/99/542968099.db2.gz PQYRSNAZAJXGTN-HXUWFJFHSA-N 2 2 371.481 2.468 50 0 FEAALP NC(=O)Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000095503183 542975029 /nfs/dbraw/zinc/97/50/29/542975029.db2.gz ORTWOTIGPPESGX-CYBMUJFWSA-N 2 2 355.467 2.358 50 0 FEAALP NC(=O)Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000095503183 542975032 /nfs/dbraw/zinc/97/50/32/542975032.db2.gz ORTWOTIGPPESGX-CYBMUJFWSA-N 2 2 355.467 2.358 50 0 FEAALP CC[NH+]1CCN(CC(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)CC1 ZINC000095530296 542982217 /nfs/dbraw/zinc/98/22/17/542982217.db2.gz QEFLIHXQAMGREF-UHFFFAOYSA-N 2 2 373.545 2.027 50 0 FEAALP c1cc(OCCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000097155836 543006172 /nfs/dbraw/zinc/00/61/72/543006172.db2.gz JWHXWVQLTUTWJT-JOCHJYFZSA-N 3 2 373.541 2.363 50 0 FEAALP c1cc(OCCC[NH+]2CCOCC2)ccc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000097155836 543006174 /nfs/dbraw/zinc/00/61/74/543006174.db2.gz JWHXWVQLTUTWJT-JOCHJYFZSA-N 3 2 373.541 2.363 50 0 FEAALP Cc1[nH+]cc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@H]3CO)n1C ZINC000097797399 543016675 /nfs/dbraw/zinc/01/66/75/543016675.db2.gz ZNRROXCQAUGIMK-IBGZPJMESA-N 3 2 372.513 2.418 50 0 FEAALP Cc1[nH+]cc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2ccoc2)C[C@H]3CO)n1C ZINC000097797399 543016680 /nfs/dbraw/zinc/01/66/80/543016680.db2.gz ZNRROXCQAUGIMK-IBGZPJMESA-N 3 2 372.513 2.418 50 0 FEAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000097499629 543012080 /nfs/dbraw/zinc/01/20/80/543012080.db2.gz RBCLVQQTNYSFGV-GOSISDBHSA-N 2 2 362.518 2.305 50 0 FEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000082087111 523187761 /nfs/dbraw/zinc/18/77/61/523187761.db2.gz VZVAUGRJYDRUIM-UHFFFAOYSA-N 2 2 371.533 2.315 50 0 FEAALP Cc1c(C)n(CC[NH+]2CCOCC2)c2nc[nH+]c(NCc3cccnc3)c12 ZINC000020573422 525682967 /nfs/dbraw/zinc/68/29/67/525682967.db2.gz CPEKNPMZVCAMGZ-UHFFFAOYSA-N 2 2 366.469 2.387 50 0 FEAALP CCc1c(C)[nH+]c(C)nc1N1CCC[C@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072425818 536070123 /nfs/dbraw/zinc/07/01/23/536070123.db2.gz SJHSTVWZPFIREA-OAQYLSRUSA-N 2 2 373.545 2.426 50 0 FEAALP CCCCc1[nH]c(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC)CC3)c[nH+]1 ZINC000230199178 548759023 /nfs/dbraw/zinc/75/90/23/548759023.db2.gz LVCIVUOARZEJTJ-HXUWFJFHSA-N 2 2 361.534 2.271 50 0 FEAALP CCCCc1[nH]c(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC)CC3)c[nH+]1 ZINC000230199178 548759026 /nfs/dbraw/zinc/75/90/26/548759026.db2.gz LVCIVUOARZEJTJ-HXUWFJFHSA-N 2 2 361.534 2.271 50 0 FEAALP CCCCc1[nH]cc(CN2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC)CC3)[nH+]1 ZINC000230199178 548759029 /nfs/dbraw/zinc/75/90/29/548759029.db2.gz LVCIVUOARZEJTJ-HXUWFJFHSA-N 2 2 361.534 2.271 50 0 FEAALP O=C1[C@H]([N@H+]2C[C@@H]3[C@H]4CCCC[NH+]4C[C@H]3C2)CCN1c1c(F)cccc1F ZINC000252569087 549674621 /nfs/dbraw/zinc/67/46/21/549674621.db2.gz VYQAIBMJIACFCN-LBTBCDHLSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([N@@H+]2C[C@@H]3[C@H]4CCCC[NH+]4C[C@H]3C2)CCN1c1c(F)cccc1F ZINC000252569087 549674624 /nfs/dbraw/zinc/67/46/24/549674624.db2.gz VYQAIBMJIACFCN-LBTBCDHLSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([NH+]2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@H]3C2)CCN1c1c(F)cccc1F ZINC000252569087 549674627 /nfs/dbraw/zinc/67/46/27/549674627.db2.gz VYQAIBMJIACFCN-LBTBCDHLSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([NH+]2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@H]3C2)CCN1c1c(F)cccc1F ZINC000252569087 549674631 /nfs/dbraw/zinc/67/46/31/549674631.db2.gz VYQAIBMJIACFCN-LBTBCDHLSA-N 2 2 361.436 2.486 50 0 FEAALP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329168764 553893848 /nfs/dbraw/zinc/89/38/48/553893848.db2.gz JEDIKAWXMWKSDF-IBGZPJMESA-N 2 2 368.481 2.092 50 0 FEAALP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329168764 553893849 /nfs/dbraw/zinc/89/38/49/553893849.db2.gz JEDIKAWXMWKSDF-IBGZPJMESA-N 2 2 368.481 2.092 50 0 FEAALP CC(C)(C[NH+]1CCCC1)NC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000426612850 559738966 /nfs/dbraw/zinc/73/89/66/559738966.db2.gz NQUFSICLXPKVJA-UHFFFAOYSA-N 2 2 360.502 2.094 50 0 FEAALP C[N@H+](CCNC(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1)CCc1ccccc1 ZINC000426701412 559740572 /nfs/dbraw/zinc/74/05/72/559740572.db2.gz LIEGYQYIQASFJB-FQEVSTJZSA-N 2 2 369.513 2.479 50 0 FEAALP C[N@@H+](CCNC(=O)N1CCC[C@@H](Cn2cc[nH+]c2)C1)CCc1ccccc1 ZINC000426701412 559740573 /nfs/dbraw/zinc/74/05/73/559740573.db2.gz LIEGYQYIQASFJB-FQEVSTJZSA-N 2 2 369.513 2.479 50 0 FEAALP C[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527659012 562299340 /nfs/dbraw/zinc/29/93/40/562299340.db2.gz NFVJKXBNAVGUBS-BVBHFADKSA-N 2 2 371.529 2.306 50 0 FEAALP CCc1noc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)n1 ZINC000426405082 571220721 /nfs/dbraw/zinc/22/07/21/571220721.db2.gz CVORAMRWGJLLCI-OAHLLOKOSA-N 2 2 373.505 2.126 50 0 FEAALP CCc1noc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)n1 ZINC000426405082 571220724 /nfs/dbraw/zinc/22/07/24/571220724.db2.gz CVORAMRWGJLLCI-OAHLLOKOSA-N 2 2 373.505 2.126 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C2)cc1 ZINC000020204921 670030248 /nfs/dbraw/zinc/03/02/48/670030248.db2.gz APPHQUKBRPXMLW-QGZVFWFLSA-N 2 2 353.532 2.032 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)cc1 ZINC000020204921 670030252 /nfs/dbraw/zinc/03/02/52/670030252.db2.gz APPHQUKBRPXMLW-QGZVFWFLSA-N 2 2 353.532 2.032 50 0 FEAALP C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000299799973 529830813 /nfs/dbraw/zinc/83/08/13/529830813.db2.gz XCPOXZNXCYNMTG-OAQYLSRUSA-N 2 2 364.493 2.173 50 0 FEAALP C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000299799973 529830814 /nfs/dbraw/zinc/83/08/14/529830814.db2.gz XCPOXZNXCYNMTG-OAQYLSRUSA-N 2 2 364.493 2.173 50 0 FEAALP C[NH+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299799973 529830815 /nfs/dbraw/zinc/83/08/15/529830815.db2.gz XCPOXZNXCYNMTG-OAQYLSRUSA-N 2 2 364.493 2.173 50 0 FEAALP C[NH+]1Cc2ccccc2C[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299799973 529830816 /nfs/dbraw/zinc/83/08/16/529830816.db2.gz XCPOXZNXCYNMTG-OAQYLSRUSA-N 2 2 364.493 2.173 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)Cc3c(F)ccc(F)c3F)C2)CC1 ZINC000012429986 539559388 /nfs/dbraw/zinc/55/93/88/539559388.db2.gz JRHIYVGDZKCKAN-ZDUSSCGKSA-N 2 2 369.431 2.321 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)Cc3c(F)ccc(F)c3F)C2)CC1 ZINC000012429986 539559389 /nfs/dbraw/zinc/55/93/89/539559389.db2.gz JRHIYVGDZKCKAN-ZDUSSCGKSA-N 2 2 369.431 2.321 50 0 FEAALP COc1ccc([C@@H]([NH3+])CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000072426754 541810824 /nfs/dbraw/zinc/81/08/24/541810824.db2.gz FOIFLICIKDJNPU-HNNXBMFYSA-N 2 2 358.442 2.223 50 0 FEAALP CC[NH+]1CCN(C(=O)C[C@H]2COCC[N@@H+]2Cc2cc3ccccc3o2)CC1 ZINC000072475286 541819360 /nfs/dbraw/zinc/81/93/60/541819360.db2.gz BMSRNZXCISSBII-SFHVURJKSA-N 2 2 371.481 2.188 50 0 FEAALP CC[NH+]1CCN(C(=O)C[C@H]2COCC[N@H+]2Cc2cc3ccccc3o2)CC1 ZINC000072475286 541819365 /nfs/dbraw/zinc/81/93/65/541819365.db2.gz BMSRNZXCISSBII-SFHVURJKSA-N 2 2 371.481 2.188 50 0 FEAALP Cc1cc2c(cc1[C@H]1[NH2+][C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]31)OCO2 ZINC000065429188 205351035 /nfs/dbraw/zinc/35/10/35/205351035.db2.gz XCVOFTVJMJFGQQ-GMQQQROESA-N 2 2 366.461 2.434 50 0 FEAALP Cc1cc2c(cc1[C@H]1[NH2+][C@](CO)(c3ccccc3)[C@H]3C[N@@H+](C)C[C@H]31)OCO2 ZINC000065429188 205351038 /nfs/dbraw/zinc/35/10/38/205351038.db2.gz XCVOFTVJMJFGQQ-GMQQQROESA-N 2 2 366.461 2.434 50 0 FEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)C3CCCCC3)CC2)[nH+]cn1 ZINC000067604548 205377129 /nfs/dbraw/zinc/37/71/29/205377129.db2.gz YNCOADLDDSAIJB-UHFFFAOYSA-N 2 2 354.458 2.200 50 0 FEAALP COc1cc(C)c(C[NH+]2CCN(CC[NH+]3CCOCC3)CC2)c(C)c1C ZINC000216446221 206359898 /nfs/dbraw/zinc/35/98/98/206359898.db2.gz YEQJGUJGXUEWFG-UHFFFAOYSA-N 2 2 361.530 2.070 50 0 FEAALP COc1cc(C)c(C[N@@H+]2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000092077428 542843793 /nfs/dbraw/zinc/84/37/93/542843793.db2.gz AUZQGXJDYLVUNV-RTBURBONSA-N 2 2 362.514 2.075 50 0 FEAALP COc1cc(C)c(C[N@H+]2C[C@H](CO)C[C@H](C[NH+]3CCOCC3)C2)cc1C ZINC000092077428 542843796 /nfs/dbraw/zinc/84/37/96/542843796.db2.gz AUZQGXJDYLVUNV-RTBURBONSA-N 2 2 362.514 2.075 50 0 FEAALP CCc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)nc1 ZINC000095372251 542962909 /nfs/dbraw/zinc/96/29/09/542962909.db2.gz DBYDNNNCOUVNPI-KRWDZBQOSA-N 2 2 365.485 2.397 50 0 FEAALP CCc1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)nc1 ZINC000095372251 542962913 /nfs/dbraw/zinc/96/29/13/542962913.db2.gz DBYDNNNCOUVNPI-KRWDZBQOSA-N 2 2 365.485 2.397 50 0 FEAALP Cc1cccc(N2CC[NH+](CC(=O)N3CCC[C@@H]([NH+](C)C)CC3)CC2)c1 ZINC000072165742 136143445 /nfs/dbraw/zinc/14/34/45/136143445.db2.gz YZCDUIZLHUAGDL-LJQANCHMSA-N 2 2 358.530 2.060 50 0 FEAALP C[N@@H+]1CCC[C@H](C[NH+]2CCN(C(=O)Nc3ccc4c[nH]nc4c3)CC2)C1 ZINC000095499028 542974433 /nfs/dbraw/zinc/97/44/33/542974433.db2.gz FSUKMEFPROGLJX-HNNXBMFYSA-N 2 2 356.474 2.054 50 0 FEAALP C[N@H+]1CCC[C@H](C[NH+]2CCN(C(=O)Nc3ccc4c[nH]nc4c3)CC2)C1 ZINC000095499028 542974437 /nfs/dbraw/zinc/97/44/37/542974437.db2.gz FSUKMEFPROGLJX-HNNXBMFYSA-N 2 2 356.474 2.054 50 0 FEAALP O[C@H](COc1cccc(C[NH+]2Cc3ccccc3C2)c1)C[NH+]1CCOCC1 ZINC000095502331 542975355 /nfs/dbraw/zinc/97/53/55/542975355.db2.gz PSAFLOAWTVUVKU-NRFANRHFSA-N 2 2 368.477 2.274 50 0 FEAALP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1cc(C)on1 ZINC000095946730 542984038 /nfs/dbraw/zinc/98/40/38/542984038.db2.gz PIFCHBGCGDBZKH-GOSISDBHSA-N 2 2 372.469 2.322 50 0 FEAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2nc3ccccc3n2C)nc[nH+]1 ZINC000109070492 325658011 /nfs/dbraw/zinc/65/80/11/325658011.db2.gz GFZQFAHBZAGTLZ-AWEZNQCLSA-N 2 2 351.458 2.164 50 0 FEAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000091526292 521821247 /nfs/dbraw/zinc/82/12/47/521821247.db2.gz IACOIRDYWHDTIH-UHFFFAOYSA-N 2 2 374.460 2.369 50 0 FEAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000091537071 523205826 /nfs/dbraw/zinc/20/58/26/523205826.db2.gz NPSQWJFSGVZURM-UHFFFAOYSA-N 2 2 351.458 2.317 50 0 FEAALP COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000091487081 524030279 /nfs/dbraw/zinc/03/02/79/524030279.db2.gz UCZIEKOBHLRSRD-KRWDZBQOSA-N 2 2 366.469 2.448 50 0 FEAALP COc1ccc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000091487081 524030280 /nfs/dbraw/zinc/03/02/80/524030280.db2.gz UCZIEKOBHLRSRD-KRWDZBQOSA-N 2 2 366.469 2.448 50 0 FEAALP Cc1nc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)co1 ZINC000082127246 526860597 /nfs/dbraw/zinc/86/05/97/526860597.db2.gz XUTHPJGVXPMVLA-LJQANCHMSA-N 2 2 357.458 2.153 50 0 FEAALP Cc1nc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)co1 ZINC000082127246 526860605 /nfs/dbraw/zinc/86/06/05/526860605.db2.gz XUTHPJGVXPMVLA-LJQANCHMSA-N 2 2 357.458 2.153 50 0 FEAALP Cc1nc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)co1 ZINC000082127246 526860613 /nfs/dbraw/zinc/86/06/13/526860613.db2.gz XUTHPJGVXPMVLA-LJQANCHMSA-N 2 2 357.458 2.153 50 0 FEAALP Cc1nc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)co1 ZINC000082127246 526860620 /nfs/dbraw/zinc/86/06/20/526860620.db2.gz XUTHPJGVXPMVLA-LJQANCHMSA-N 2 2 357.458 2.153 50 0 FEAALP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000089735647 527406565 /nfs/dbraw/zinc/40/65/65/527406565.db2.gz SINFKGXJTPWILU-UHFFFAOYSA-N 2 2 369.469 2.279 50 0 FEAALP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000089735647 527406576 /nfs/dbraw/zinc/40/65/76/527406576.db2.gz SINFKGXJTPWILU-UHFFFAOYSA-N 2 2 369.469 2.279 50 0 FEAALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000095355076 535777207 /nfs/dbraw/zinc/77/72/07/535777207.db2.gz YRXKANPGMUMDJC-IBGZPJMESA-N 2 2 369.513 2.299 50 0 FEAALP COc1ccccc1OC1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000244659779 537088088 /nfs/dbraw/zinc/08/80/88/537088088.db2.gz HIOLYZYYYBPHHM-OKILXGFUSA-N 2 2 369.469 2.320 50 0 FEAALP COc1ccccc1/C=C/C[N@@H+]1CCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000230468945 548760054 /nfs/dbraw/zinc/76/00/54/548760054.db2.gz JKFQCVJRBLLLSZ-ZLQZBKBYSA-N 2 2 356.470 2.016 50 0 FEAALP COc1ccccc1/C=C/C[N@H+]1CCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000230468945 548760059 /nfs/dbraw/zinc/76/00/59/548760059.db2.gz JKFQCVJRBLLLSZ-ZLQZBKBYSA-N 2 2 356.470 2.016 50 0 FEAALP CN1C(=O)CCC12CC[NH+](C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000244811541 548896175 /nfs/dbraw/zinc/89/61/75/548896175.db2.gz SGNQBOBQPCKCII-FQEVSTJZSA-N 2 2 371.525 2.364 50 0 FEAALP CN1C(=O)CCC12CC[NH+](C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000244811541 548896177 /nfs/dbraw/zinc/89/61/77/548896177.db2.gz SGNQBOBQPCKCII-FQEVSTJZSA-N 2 2 371.525 2.364 50 0 FEAALP O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000299774343 553613425 /nfs/dbraw/zinc/61/34/25/553613425.db2.gz CETOOQGPUZKSAB-UHFFFAOYSA-N 2 2 354.454 2.450 50 0 FEAALP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000426548369 559737650 /nfs/dbraw/zinc/73/76/50/559737650.db2.gz AXXLDQPQGLCDSW-AQDCRGGLSA-N 2 2 356.514 2.369 50 0 FEAALP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000426548369 559737651 /nfs/dbraw/zinc/73/76/51/559737651.db2.gz AXXLDQPQGLCDSW-AQDCRGGLSA-N 2 2 356.514 2.369 50 0 FEAALP O=C(NC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000426595102 559738637 /nfs/dbraw/zinc/73/86/37/559738637.db2.gz WBSRWAIFCRKMIB-SFHVURJKSA-N 2 2 373.888 2.031 50 0 FEAALP O=C(NC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000426595101 559738661 /nfs/dbraw/zinc/73/86/61/559738661.db2.gz WBSRWAIFCRKMIB-GOSISDBHSA-N 2 2 373.888 2.031 50 0 FEAALP Cc1cc(S(=O)(=O)N2CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C2)c(C)s1 ZINC000015066250 539610547 /nfs/dbraw/zinc/61/05/47/539610547.db2.gz ILARUONIUFHLLP-MRXNPFEDSA-N 2 2 373.588 2.402 50 0 FEAALP Cc1cc(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)c(C)s1 ZINC000015066250 539610552 /nfs/dbraw/zinc/61/05/52/539610552.db2.gz ILARUONIUFHLLP-MRXNPFEDSA-N 2 2 373.588 2.402 50 0 FEAALP CC(=O)c1c(C)cc(C)c(C[NH+]2CCN(c3cc(N)[nH+]c(N)n3)CC2)c1C ZINC000067966749 541533619 /nfs/dbraw/zinc/53/36/19/541533619.db2.gz MLQOFDACMYIACV-UHFFFAOYSA-N 2 2 368.485 2.091 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000072134312 541786162 /nfs/dbraw/zinc/78/61/62/541786162.db2.gz FQDYACAKFDBNDR-CQSZACIVSA-N 2 2 351.882 2.415 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000072134312 541786166 /nfs/dbraw/zinc/78/61/66/541786166.db2.gz FQDYACAKFDBNDR-CQSZACIVSA-N 2 2 351.882 2.415 50 0 FEAALP COc1ccc(N2CC[N@H+](Cc3cccc(CC[NH3+])c3)[C@H](C)C2=O)cc1 ZINC000072144272 541787016 /nfs/dbraw/zinc/78/70/16/541787016.db2.gz RPOMMJBZLHPNIK-MRXNPFEDSA-N 2 2 353.466 2.434 50 0 FEAALP COc1ccc(N2CC[N@@H+](Cc3cccc(CC[NH3+])c3)[C@H](C)C2=O)cc1 ZINC000072144272 541787018 /nfs/dbraw/zinc/78/70/18/541787018.db2.gz RPOMMJBZLHPNIK-MRXNPFEDSA-N 2 2 353.466 2.434 50 0 FEAALP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCn3cc[nH+]c3)C2)n1 ZINC000072454619 541816884 /nfs/dbraw/zinc/81/68/84/541816884.db2.gz NPJLPPFPCPMYAJ-AZUAARDMSA-N 2 2 367.497 2.490 50 0 FEAALP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCn3cc[nH+]c3)C2)n1 ZINC000072454619 541816889 /nfs/dbraw/zinc/81/68/89/541816889.db2.gz NPJLPPFPCPMYAJ-AZUAARDMSA-N 2 2 367.497 2.490 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccccc2F)[nH+]cn1 ZINC000067612943 205376951 /nfs/dbraw/zinc/37/69/51/205376951.db2.gz ZGJZWNKAPWFLQN-UHFFFAOYSA-N 2 2 355.377 2.343 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(C[NH+]3CCCC3)o1)CCC[N@@H+]2C ZINC000067771048 205390054 /nfs/dbraw/zinc/39/00/54/205390054.db2.gz AJKZBYGDQCVGSQ-UHFFFAOYSA-N 3 2 374.529 2.118 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(C[NH+]3CCCC3)o1)CCC[N@H+]2C ZINC000067771048 205390059 /nfs/dbraw/zinc/39/00/59/205390059.db2.gz AJKZBYGDQCVGSQ-UHFFFAOYSA-N 3 2 374.529 2.118 50 0 FEAALP CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000106153796 206233617 /nfs/dbraw/zinc/23/36/17/206233617.db2.gz LIGHVNDXCUCKEQ-MBOZVWFJSA-N 2 2 374.529 2.432 50 0 FEAALP c1[nH]nc2c1C[N@H+](Cc1ccc(OCCC[NH+]3CCOCC3)cc1)CC2 ZINC000215672897 206349852 /nfs/dbraw/zinc/34/98/52/206349852.db2.gz ORZMOEKAQQETMM-UHFFFAOYSA-N 2 2 356.470 2.069 50 0 FEAALP c1[nH]nc2c1C[N@@H+](Cc1ccc(OCCC[NH+]3CCOCC3)cc1)CC2 ZINC000215672897 206349859 /nfs/dbraw/zinc/34/98/59/206349859.db2.gz ORZMOEKAQQETMM-UHFFFAOYSA-N 2 2 356.470 2.069 50 0 FEAALP CCn1c2ccccc2[nH+]c1CCNc1cc(C2CC(O)C2)[nH+]c(N)n1 ZINC000220048199 206397386 /nfs/dbraw/zinc/39/73/86/206397386.db2.gz APXDOJNEILNFOZ-UHFFFAOYSA-N 2 2 352.442 2.321 50 0 FEAALP Cc1[nH+]ccn1CCC1CCN(c2cc([C@H]3C[C@@H]([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000220149696 132275683 /nfs/dbraw/zinc/27/56/83/132275683.db2.gz ZUMJEGNBNIUEPE-WKILWMFISA-N 3 2 355.490 2.075 50 0 FEAALP COc1cc(F)c(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000091942988 542833256 /nfs/dbraw/zinc/83/32/56/542833256.db2.gz KQMYNEPJWQBQOX-IAGOWNOFSA-N 2 2 366.477 2.369 50 0 FEAALP COc1cc(F)c(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000091942988 542833258 /nfs/dbraw/zinc/83/32/58/542833258.db2.gz KQMYNEPJWQBQOX-IAGOWNOFSA-N 2 2 366.477 2.369 50 0 FEAALP CCc1ncc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cn1 ZINC000095368519 542961730 /nfs/dbraw/zinc/96/17/30/542961730.db2.gz FMAGXNNRAAXCBZ-INIZCTEOSA-N 2 2 370.501 2.207 50 0 FEAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)CC(C)C)CC3)[nH+]c(C)n2)c1C ZINC000072441648 136147789 /nfs/dbraw/zinc/14/77/89/136147789.db2.gz NJNUSVKJFCMCFH-UHFFFAOYSA-N 2 2 356.474 2.282 50 0 FEAALP C[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000095456053 542970995 /nfs/dbraw/zinc/97/09/95/542970995.db2.gz NTKVWQNMNACXGL-UTKZUKDTSA-N 2 2 370.541 2.107 50 0 FEAALP C[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000095456053 542970999 /nfs/dbraw/zinc/97/09/99/542970999.db2.gz NTKVWQNMNACXGL-UTKZUKDTSA-N 2 2 370.541 2.107 50 0 FEAALP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)Nc3cccc(F)c3F)CC2)C1 ZINC000095522960 542980240 /nfs/dbraw/zinc/98/02/40/542980240.db2.gz SKWOHIVAOJAGBT-CQSZACIVSA-N 2 2 352.429 2.456 50 0 FEAALP C[N@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)Nc3cccc(F)c3F)CC2)C1 ZINC000095522960 542980242 /nfs/dbraw/zinc/98/02/42/542980242.db2.gz SKWOHIVAOJAGBT-CQSZACIVSA-N 2 2 352.429 2.456 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccccn2)C1 ZINC000095526719 542981229 /nfs/dbraw/zinc/98/12/29/542981229.db2.gz MVEYOINKMMOAMF-KRWDZBQOSA-N 2 2 355.486 2.179 50 0 FEAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000091664132 523204901 /nfs/dbraw/zinc/20/49/01/523204901.db2.gz CKEBBCGKBSUSSK-UHFFFAOYSA-N 2 2 351.458 2.317 50 0 FEAALP Cc1ccccc1OC1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC[NH+](C)CC2)C1 ZINC000082147989 525276846 /nfs/dbraw/zinc/27/68/46/525276846.db2.gz YKOQETPVZNLDJA-IBGZPJMESA-N 2 2 357.498 2.143 50 0 FEAALP Cc1ccccc1OC1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)C1 ZINC000082147989 525276852 /nfs/dbraw/zinc/27/68/52/525276852.db2.gz YKOQETPVZNLDJA-IBGZPJMESA-N 2 2 357.498 2.143 50 0 FEAALP COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1OCc1ccccc1F ZINC000082136752 525950087 /nfs/dbraw/zinc/95/00/87/525950087.db2.gz XXCCEIVTTMUZPQ-QZTJIDSGSA-N 2 2 360.429 2.307 50 0 FEAALP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1OCc1ccccc1F ZINC000082136752 525950098 /nfs/dbraw/zinc/95/00/98/525950098.db2.gz XXCCEIVTTMUZPQ-QZTJIDSGSA-N 2 2 360.429 2.307 50 0 FEAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000082120735 526684767 /nfs/dbraw/zinc/68/47/67/526684767.db2.gz ZMRSNLGRBMUEBW-UHFFFAOYSA-N 2 2 365.437 2.268 50 0 FEAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000082120735 526684773 /nfs/dbraw/zinc/68/47/73/526684773.db2.gz ZMRSNLGRBMUEBW-UHFFFAOYSA-N 2 2 365.437 2.268 50 0 FEAALP O[C@@H]1C[N@H+](Cc2ccccc2OCC[NH+]2CCOCC2)Cc2ccccc21 ZINC000082091512 527678363 /nfs/dbraw/zinc/67/83/63/527678363.db2.gz LVHNSJGWIAIDRF-OAQYLSRUSA-N 2 2 368.477 2.447 50 0 FEAALP O[C@@H]1C[N@@H+](Cc2ccccc2OCC[NH+]2CCOCC2)Cc2ccccc21 ZINC000082091512 527678365 /nfs/dbraw/zinc/67/83/65/527678365.db2.gz LVHNSJGWIAIDRF-OAQYLSRUSA-N 2 2 368.477 2.447 50 0 FEAALP CN1CC[NH+]([C@H]2CCN(c3[nH+]ccc4ccccc43)C[C@H]2CCCO)CC1 ZINC000091745676 536417550 /nfs/dbraw/zinc/41/75/50/536417550.db2.gz GFTMUEXKJCCKDZ-CTNGQTDRSA-N 2 2 368.525 2.450 50 0 FEAALP CCn1c(C[NH+]2CCC(OCc3cccnc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244659466 548891945 /nfs/dbraw/zinc/89/19/45/548891945.db2.gz HDFFTQOCLHGYQQ-CALCHBBNSA-N 2 2 370.501 2.079 50 0 FEAALP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000283390545 551358491 /nfs/dbraw/zinc/35/84/91/551358491.db2.gz APGOORHEXOJDKQ-LJQANCHMSA-N 2 2 374.529 2.005 50 0 FEAALP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000283390545 551358493 /nfs/dbraw/zinc/35/84/93/551358493.db2.gz APGOORHEXOJDKQ-LJQANCHMSA-N 2 2 374.529 2.005 50 0 FEAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299785990 553614679 /nfs/dbraw/zinc/61/46/79/553614679.db2.gz VGWQPNDIHWNQKL-UHFFFAOYSA-N 2 2 363.465 2.474 50 0 FEAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299785990 553614680 /nfs/dbraw/zinc/61/46/80/553614680.db2.gz VGWQPNDIHWNQKL-UHFFFAOYSA-N 2 2 363.465 2.474 50 0 FEAALP CCc1noc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)n1 ZINC000426405081 571220802 /nfs/dbraw/zinc/22/08/02/571220802.db2.gz CVORAMRWGJLLCI-HNNXBMFYSA-N 2 2 373.505 2.126 50 0 FEAALP CCc1noc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)n1 ZINC000426405081 571220805 /nfs/dbraw/zinc/22/08/05/571220805.db2.gz CVORAMRWGJLLCI-HNNXBMFYSA-N 2 2 373.505 2.126 50 0 FEAALP CSc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 ZINC000019228777 539653180 /nfs/dbraw/zinc/65/31/80/539653180.db2.gz KTRJJAUJBOFKIP-IBGZPJMESA-N 2 2 363.571 2.371 50 0 FEAALP CSc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1 ZINC000019228777 539653183 /nfs/dbraw/zinc/65/31/83/539653183.db2.gz KTRJJAUJBOFKIP-IBGZPJMESA-N 2 2 363.571 2.371 50 0 FEAALP Cc1c2cc(C)ccc2oc1C[NH+]1CCN(c2cc(N)[nH+]c(N)n2)CC1 ZINC000067880691 541524041 /nfs/dbraw/zinc/52/40/41/541524041.db2.gz KQTJFCIPZYRJAG-UHFFFAOYSA-N 2 2 352.442 2.326 50 0 FEAALP Nc1nc(NCCCc2nc3ccccc3s2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072475491 541819660 /nfs/dbraw/zinc/81/96/60/541819660.db2.gz KQEMHVMHQMZAJH-UHFFFAOYSA-N 2 2 354.483 2.401 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(F)cc2)[nH+]c(C)n1 ZINC000067604610 205376964 /nfs/dbraw/zinc/37/69/64/205376964.db2.gz HNUVWPLMXLBZHT-UHFFFAOYSA-N 2 2 354.389 2.260 50 0 FEAALP C[C@H](c1ccncn1)[N@H+](C)Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000215366920 206345502 /nfs/dbraw/zinc/34/55/02/206345502.db2.gz FBMWCDKIFXWAFW-GOSISDBHSA-N 2 2 369.513 2.296 50 0 FEAALP C[C@H](c1ccncn1)[N@@H+](C)Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000215366920 206345507 /nfs/dbraw/zinc/34/55/07/206345507.db2.gz FBMWCDKIFXWAFW-GOSISDBHSA-N 2 2 369.513 2.296 50 0 FEAALP C[C@H](c1ccncn1)[N@H+](C)Cc1ccccc1OCC[NH+]1CCN(C)CC1 ZINC000215366920 206345511 /nfs/dbraw/zinc/34/55/11/206345511.db2.gz FBMWCDKIFXWAFW-GOSISDBHSA-N 2 2 369.513 2.296 50 0 FEAALP C[C@H](c1ccncn1)[N@@H+](C)Cc1ccccc1OCC[NH+]1CCN(C)CC1 ZINC000215366920 206345513 /nfs/dbraw/zinc/34/55/13/206345513.db2.gz FBMWCDKIFXWAFW-GOSISDBHSA-N 2 2 369.513 2.296 50 0 FEAALP c1cn(CCOc2ccc(C[NH+]3CCC(N4CCOCC4)CC3)cc2)c[nH+]1 ZINC000215921985 206352682 /nfs/dbraw/zinc/35/26/82/206352682.db2.gz PSDUQASGGCKKQZ-UHFFFAOYSA-N 2 2 370.497 2.259 50 0 FEAALP Cn1c(C[NH+]2CCC(OCc3ccccc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223162245 206433105 /nfs/dbraw/zinc/43/31/05/206433105.db2.gz ZVHYOHWHIRKCRH-QAQDUYKDSA-N 2 2 355.486 2.201 50 0 FEAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc3nsnc3c2)CC1 ZINC000077554960 542397302 /nfs/dbraw/zinc/39/73/02/542397302.db2.gz NMAIDWNAYTYTIW-UHFFFAOYSA-N 2 2 371.514 2.261 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC2(CCC(=O)N([C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC000092045488 132205676 /nfs/dbraw/zinc/20/56/76/132205676.db2.gz QMPHVNNUSHOLPE-GOSISDBHSA-N 2 2 371.529 2.261 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC2(CCC(=O)N([C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000092045488 132205677 /nfs/dbraw/zinc/20/56/77/132205677.db2.gz QMPHVNNUSHOLPE-GOSISDBHSA-N 2 2 371.529 2.261 50 0 FEAALP Cc1c[nH+]c(N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)nc1N(C)C ZINC000095384524 132209829 /nfs/dbraw/zinc/20/98/29/132209829.db2.gz ZEVUTVDZUFTCQF-UHFFFAOYSA-N 3 2 371.533 2.383 50 0 FEAALP CN1CC[C@]2(CN(Cc3ccc(-n4cc[nH+]c4)cc3)CC[N@@H+]2C)CCC1=O ZINC000091390836 542805935 /nfs/dbraw/zinc/80/59/35/542805935.db2.gz DOMGHBFBUNPNNX-NRFANRHFSA-N 2 2 367.497 2.001 50 0 FEAALP CN1CC[C@]2(CN(Cc3ccc(-n4cc[nH+]c4)cc3)CC[N@H+]2C)CCC1=O ZINC000091390836 542805940 /nfs/dbraw/zinc/80/59/40/542805940.db2.gz DOMGHBFBUNPNNX-NRFANRHFSA-N 2 2 367.497 2.001 50 0 FEAALP CC(C)(CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2)[NH+]1CCOCC1 ZINC000095386852 542966940 /nfs/dbraw/zinc/96/69/40/542966940.db2.gz SHCNLMLRMFLXCV-VQTJNVASSA-N 2 2 358.530 2.089 50 0 FEAALP CC(C)(CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2)[NH+]1CCOCC1 ZINC000095386852 542966943 /nfs/dbraw/zinc/96/69/43/542966943.db2.gz SHCNLMLRMFLXCV-VQTJNVASSA-N 2 2 358.530 2.089 50 0 FEAALP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cccc(Cl)c3Cl)C[C@@H]2CO)CC1 ZINC000095376598 542964463 /nfs/dbraw/zinc/96/44/63/542964463.db2.gz IQFSYXYZYSXGBR-HZPDHXFCSA-N 2 2 372.340 2.281 50 0 FEAALP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3Cl)C[C@@H]2CO)CC1 ZINC000095376598 542964465 /nfs/dbraw/zinc/96/44/65/542964465.db2.gz IQFSYXYZYSXGBR-HZPDHXFCSA-N 2 2 372.340 2.281 50 0 FEAALP Cc1[nH+]c(CN2CC[NH+](Cc3ccccc3CO)CC2)c2ccccn12 ZINC000097155780 543006253 /nfs/dbraw/zinc/00/62/53/543006253.db2.gz OESNODWWFWVEKN-UHFFFAOYSA-N 2 2 350.466 2.453 50 0 FEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000097744734 543015782 /nfs/dbraw/zinc/01/57/82/543015782.db2.gz AFCWLRRRQNQMFS-DOTOQJQBSA-N 2 2 365.905 2.299 50 0 FEAALP C[C@H](C(=O)NC1CCCCC1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131004 543205564 /nfs/dbraw/zinc/20/55/64/543205564.db2.gz VMDFICQAILTBRX-QGZVFWFLSA-N 2 2 361.534 2.117 50 0 FEAALP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131004 543205566 /nfs/dbraw/zinc/20/55/66/543205566.db2.gz VMDFICQAILTBRX-QGZVFWFLSA-N 2 2 361.534 2.117 50 0 FEAALP Cc1nc(N2CC[NH+](CCOc3ccccc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426690353 263657347 /nfs/dbraw/zinc/65/73/47/263657347.db2.gz UPDFKNFTJOZVKC-SFHVURJKSA-N 2 2 368.481 2.490 50 0 FEAALP Cc1nc2c(s1)[C@H]([NH2+]CCC[NH+]1CCN(c3ncccn3)CC1)CCC2 ZINC000133703604 326613462 /nfs/dbraw/zinc/61/34/62/326613462.db2.gz MSGMNPPZRRDNCX-MRXNPFEDSA-N 2 2 372.542 2.421 50 0 FEAALP COc1ccccc1OC1CCN(c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000220281636 537088281 /nfs/dbraw/zinc/08/82/81/537088281.db2.gz HIOLYZYYYBPHHM-UHFFFAOYSA-N 2 2 369.469 2.320 50 0 FEAALP CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000215152432 548669987 /nfs/dbraw/zinc/66/99/87/548669987.db2.gz FFURFFGPYDOYMY-SFHVURJKSA-N 2 2 356.470 2.310 50 0 FEAALP CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000215152432 548669988 /nfs/dbraw/zinc/66/99/88/548669988.db2.gz FFURFFGPYDOYMY-SFHVURJKSA-N 2 2 356.470 2.310 50 0 FEAALP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000221739599 548706061 /nfs/dbraw/zinc/70/60/61/548706061.db2.gz UNXAYSLWNXFQQD-STQMWFEESA-N 2 2 359.396 2.214 50 0 FEAALP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000221739599 548706066 /nfs/dbraw/zinc/70/60/66/548706066.db2.gz UNXAYSLWNXFQQD-STQMWFEESA-N 2 2 359.396 2.214 50 0 FEAALP Cn1cc([C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000222530589 548709286 /nfs/dbraw/zinc/70/92/86/548709286.db2.gz FOFBPZUPFAFCPN-DUXKGJEZSA-N 2 2 354.498 2.486 50 0 FEAALP O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCCC1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000222683693 548710939 /nfs/dbraw/zinc/71/09/39/548710939.db2.gz CHLWOJCBGTULDP-FCGDIQPGSA-N 2 2 366.465 2.448 50 0 FEAALP CN1CC[N@H+](Cc2ccccc2OCCC[NH+]2CCCCC2)C[C@H]1CO ZINC000225326595 548732670 /nfs/dbraw/zinc/73/26/70/548732670.db2.gz VCEDCNDCCWPROD-FQEVSTJZSA-N 2 2 361.530 2.050 50 0 FEAALP CN1CC[N@@H+](Cc2ccccc2OCCC[NH+]2CCCCC2)C[C@H]1CO ZINC000225326595 548732673 /nfs/dbraw/zinc/73/26/73/548732673.db2.gz VCEDCNDCCWPROD-FQEVSTJZSA-N 2 2 361.530 2.050 50 0 FEAALP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000284673507 551604474 /nfs/dbraw/zinc/60/44/74/551604474.db2.gz WTYDWERULYVKAY-DNVCBOLYSA-N 2 2 354.454 2.243 50 0 FEAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]([C@H]2CCOC2)N2CCOCC2)C1 ZINC000108095148 570509218 /nfs/dbraw/zinc/50/92/18/570509218.db2.gz MEFCXFLNGHCPLT-RYFAJOAYSA-N 2 2 373.541 2.149 50 0 FEAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]([C@H]2CCOC2)N2CCOCC2)C1 ZINC000108095148 570509220 /nfs/dbraw/zinc/50/92/20/570509220.db2.gz MEFCXFLNGHCPLT-RYFAJOAYSA-N 2 2 373.541 2.149 50 0 FEAALP Nc1cc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)nc(N)[nH+]1 ZINC000426414667 571138196 /nfs/dbraw/zinc/13/81/96/571138196.db2.gz PRJYKFARLLMUEL-IBGZPJMESA-N 2 2 356.449 2.273 50 0 FEAALP Nc1cc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)nc(N)[nH+]1 ZINC000426414667 571138198 /nfs/dbraw/zinc/13/81/98/571138198.db2.gz PRJYKFARLLMUEL-IBGZPJMESA-N 2 2 356.449 2.273 50 0 FEAALP Nc1cc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)[nH+]c(N)n1 ZINC000426414667 571138200 /nfs/dbraw/zinc/13/82/00/571138200.db2.gz PRJYKFARLLMUEL-IBGZPJMESA-N 2 2 356.449 2.273 50 0 FEAALP Nc1cc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)[nH+]c(N)n1 ZINC000426414667 571138201 /nfs/dbraw/zinc/13/82/01/571138201.db2.gz PRJYKFARLLMUEL-IBGZPJMESA-N 2 2 356.449 2.273 50 0 FEAALP CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(OC[C@]2(C)CCC[NH2+]C2)nc1 ZINC000012303046 539553333 /nfs/dbraw/zinc/55/33/33/539553333.db2.gz ORKFAPTZOVDBOU-HXUWFJFHSA-N 2 2 371.485 2.246 50 0 FEAALP CC[NH+](CC)CC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000020859569 539678094 /nfs/dbraw/zinc/67/80/94/539678094.db2.gz OXCKEQZOEHSGPM-MRXNPFEDSA-N 2 2 363.550 2.030 50 0 FEAALP C[N@H+](CC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1)C1CC[NH2+]CC1 ZINC000072124137 541784153 /nfs/dbraw/zinc/78/41/53/541784153.db2.gz ONEFOZNFNBSOJT-OAHLLOKOSA-N 2 2 366.456 2.052 50 0 FEAALP C[N@@H+](CC(=O)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1)C1CC[NH2+]CC1 ZINC000072124137 541784157 /nfs/dbraw/zinc/78/41/57/541784157.db2.gz ONEFOZNFNBSOJT-OAHLLOKOSA-N 2 2 366.456 2.052 50 0 FEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000072410208 541806889 /nfs/dbraw/zinc/80/68/89/541806889.db2.gz SXUOQUKCMLWRGR-KRWDZBQOSA-N 2 2 355.486 2.496 50 0 FEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000072410208 541806890 /nfs/dbraw/zinc/80/68/90/541806890.db2.gz SXUOQUKCMLWRGR-KRWDZBQOSA-N 2 2 355.486 2.496 50 0 FEAALP C[NH+](C)[C@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc2c(c1)OCO2 ZINC000072473234 541818521 /nfs/dbraw/zinc/81/85/21/541818521.db2.gz CLSVMBCHBPUJNN-KRWDZBQOSA-N 2 2 356.426 2.147 50 0 FEAALP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NCCC[NH+]1CCOCC1 ZINC000005958569 204232735 /nfs/dbraw/zinc/23/27/35/204232735.db2.gz RUJDQNUHENFTGQ-UHFFFAOYSA-N 2 2 357.454 2.276 50 0 FEAALP CC(C)(CNC(=O)C[N@H+]1CC=C(c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000007647411 204301530 /nfs/dbraw/zinc/30/15/30/204301530.db2.gz SWYUSJDNSVLSHP-UHFFFAOYSA-N 2 2 357.498 2.003 50 0 FEAALP CC(C)(CNC(=O)C[N@@H+]1CC=C(c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000007647411 204301533 /nfs/dbraw/zinc/30/15/33/204301533.db2.gz SWYUSJDNSVLSHP-UHFFFAOYSA-N 2 2 357.498 2.003 50 0 FEAALP Cc1ncc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)s1 ZINC000039532102 205046267 /nfs/dbraw/zinc/04/62/67/205046267.db2.gz YYLJQFCPNMRJND-GOSISDBHSA-N 2 2 366.575 2.193 50 0 FEAALP Cc1ncc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)s1 ZINC000039532102 205046270 /nfs/dbraw/zinc/04/62/70/205046270.db2.gz YYLJQFCPNMRJND-GOSISDBHSA-N 2 2 366.575 2.193 50 0 FEAALP OC1CC[NH+]([C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2O)CC1 ZINC000048148040 205151786 /nfs/dbraw/zinc/15/17/86/205151786.db2.gz BRFOPFVJXVPPKH-IAGOWNOFSA-N 2 2 358.404 2.097 50 0 FEAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2O)CC1 ZINC000048148040 205151789 /nfs/dbraw/zinc/15/17/89/205151789.db2.gz BRFOPFVJXVPPKH-IAGOWNOFSA-N 2 2 358.404 2.097 50 0 FEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(C)cc3)CC2)[nH+]cn1 ZINC000067623008 205377870 /nfs/dbraw/zinc/37/78/70/205377870.db2.gz JBFRFAZSSQONAP-UHFFFAOYSA-N 2 2 362.437 2.242 50 0 FEAALP CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CC[NH+]3CCCC3)C2=O)cc1 ZINC000067856352 205397567 /nfs/dbraw/zinc/39/75/67/205397567.db2.gz FSHXGNMHODCWQU-JOCHJYFZSA-N 2 2 373.541 2.349 50 0 FEAALP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000067850315 205397670 /nfs/dbraw/zinc/39/76/70/205397670.db2.gz IPJXDZOLLVVHOI-GOSISDBHSA-N 2 2 362.437 2.116 50 0 FEAALP C[N@H+](CC(=O)N(Cc1ccncc1)Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000097785330 205926654 /nfs/dbraw/zinc/92/66/54/205926654.db2.gz SWVAQAWDJBWQMA-UHFFFAOYSA-N 2 2 370.472 2.433 50 0 FEAALP C[N@@H+](CC(=O)N(Cc1ccncc1)Cc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000097785330 205926658 /nfs/dbraw/zinc/92/66/58/205926658.db2.gz SWVAQAWDJBWQMA-UHFFFAOYSA-N 2 2 370.472 2.433 50 0 FEAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2cnc(-c3cccs3)nc2)CC1 ZINC000215709976 206349968 /nfs/dbraw/zinc/34/99/68/206349968.db2.gz DWWVJJOOSSGFMP-UHFFFAOYSA-N 2 2 355.467 2.429 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000077485461 542387449 /nfs/dbraw/zinc/38/74/49/542387449.db2.gz QEYOFEFJBQSDHP-UHFFFAOYSA-N 2 2 369.513 2.151 50 0 FEAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000092019309 132205368 /nfs/dbraw/zinc/20/53/68/132205368.db2.gz WEDCUEPSVZUZNG-UHFFFAOYSA-N 2 2 352.446 2.025 50 0 FEAALP CCc1cc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]3CC)CC2)nc(N(C)C)[nH+]1 ZINC000095507641 132212827 /nfs/dbraw/zinc/21/28/27/132212827.db2.gz LCASMALYLIPERK-SFHVURJKSA-N 3 2 360.550 2.148 50 0 FEAALP CCc1cc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+]3CC)CC2)nc(N(C)C)[nH+]1 ZINC000095507641 132212828 /nfs/dbraw/zinc/21/28/28/132212828.db2.gz LCASMALYLIPERK-SFHVURJKSA-N 3 2 360.550 2.148 50 0 FEAALP O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000096147801 132220250 /nfs/dbraw/zinc/22/02/50/132220250.db2.gz OTFFEBQMVBGMDZ-KRWDZBQOSA-N 2 2 374.554 2.338 50 0 FEAALP O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CCC([NH+]2CCSCC2)CC1 ZINC000096147802 132220306 /nfs/dbraw/zinc/22/03/06/132220306.db2.gz OTFFEBQMVBGMDZ-QGZVFWFLSA-N 2 2 374.554 2.338 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000091441629 542807972 /nfs/dbraw/zinc/80/79/72/542807972.db2.gz XDOJTZAOVUVADU-UHFFFAOYSA-N 2 2 362.481 2.407 50 0 FEAALP C[N@@H+]1CCC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)C1 ZINC000091736277 542822117 /nfs/dbraw/zinc/82/21/17/542822117.db2.gz NCEZICZRYHMPPV-IBGZPJMESA-N 2 2 367.497 2.374 50 0 FEAALP C[N@H+]1CCC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)C1 ZINC000091736277 542822118 /nfs/dbraw/zinc/82/21/18/542822118.db2.gz NCEZICZRYHMPPV-IBGZPJMESA-N 2 2 367.497 2.374 50 0 FEAALP Cc1[nH]c2c(cccc2C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000092061538 542842028 /nfs/dbraw/zinc/84/20/28/542842028.db2.gz TVUYNWFTCKELDV-RTBURBONSA-N 2 2 357.498 2.157 50 0 FEAALP Cc1[nH]c2c(cccc2C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCOCC3)C2)c1C ZINC000092061538 542842030 /nfs/dbraw/zinc/84/20/30/542842030.db2.gz TVUYNWFTCKELDV-RTBURBONSA-N 2 2 357.498 2.157 50 0 FEAALP CCc1cc(N2CC[NH+](C3CC[NH+](C)CC3)CC2)n2nc(C)c(C)c2n1 ZINC000072454170 136148549 /nfs/dbraw/zinc/14/85/49/136148549.db2.gz BCJRVTDLFTYKNH-UHFFFAOYSA-N 2 2 356.518 2.125 50 0 FEAALP NC(=O)Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000095503182 542975512 /nfs/dbraw/zinc/97/55/12/542975512.db2.gz ORTWOTIGPPESGX-ZDUSSCGKSA-N 2 2 355.467 2.358 50 0 FEAALP NC(=O)Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000095503182 542975515 /nfs/dbraw/zinc/97/55/15/542975515.db2.gz ORTWOTIGPPESGX-ZDUSSCGKSA-N 2 2 355.467 2.358 50 0 FEAALP C[N@@H+]1CCC[C@@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)C1 ZINC000091535310 523812550 /nfs/dbraw/zinc/81/25/50/523812550.db2.gz DDUIYLKEYCLCGL-GOSISDBHSA-N 2 2 367.497 2.374 50 0 FEAALP C[N@H+]1CCC[C@@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)C1 ZINC000091535310 523812551 /nfs/dbraw/zinc/81/25/51/523812551.db2.gz DDUIYLKEYCLCGL-GOSISDBHSA-N 2 2 367.497 2.374 50 0 FEAALP Cc1cc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)ccc1F ZINC000091663931 524714869 /nfs/dbraw/zinc/71/48/69/524714869.db2.gz OSMDTMABWOGQNK-UKBAYJJMSA-N 2 2 350.478 2.284 50 0 FEAALP Cc1cc(C[NH+]2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)ccc1F ZINC000091663931 524714894 /nfs/dbraw/zinc/71/48/94/524714894.db2.gz OSMDTMABWOGQNK-UKBAYJJMSA-N 2 2 350.478 2.284 50 0 FEAALP Cc1cc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)ccc1F ZINC000091663931 524714905 /nfs/dbraw/zinc/71/49/05/524714905.db2.gz OSMDTMABWOGQNK-UKBAYJJMSA-N 2 2 350.478 2.284 50 0 FEAALP Cc1cc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)ccc1F ZINC000091663931 524714913 /nfs/dbraw/zinc/71/49/13/524714913.db2.gz OSMDTMABWOGQNK-UKBAYJJMSA-N 2 2 350.478 2.284 50 0 FEAALP C[C@@H]1C[N@H+](Cc2ccccc2OCC[NH+]2CCOCC2)CC[C@@]1(O)C1CC1 ZINC000091645662 525014611 /nfs/dbraw/zinc/01/46/11/525014611.db2.gz FERHDMSIFFMZNO-GCJKJVERSA-N 2 2 374.525 2.381 50 0 FEAALP C[C@@H]1C[N@@H+](Cc2ccccc2OCC[NH+]2CCOCC2)CC[C@@]1(O)C1CC1 ZINC000091645662 525014626 /nfs/dbraw/zinc/01/46/26/525014626.db2.gz FERHDMSIFFMZNO-GCJKJVERSA-N 2 2 374.525 2.381 50 0 FEAALP Nc1nc(NCCOc2cccc3cccnc32)cc([C@H]2C[C@H]([NH3+])C2)[nH+]1 ZINC000244840221 548895927 /nfs/dbraw/zinc/89/59/27/548895927.db2.gz UIZYWKFZMABMII-HDJSIYSDSA-N 2 2 350.426 2.303 50 0 FEAALP Cc1nc(NC2CC[NH+](Cc3cccnc3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252572052 549675032 /nfs/dbraw/zinc/67/50/32/549675032.db2.gz YWGWJIJEBVTJHG-MAEOIBBWSA-N 2 2 353.470 2.495 50 0 FEAALP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)OCCO3)CCC[N@@H+]1C ZINC000284413734 551543935 /nfs/dbraw/zinc/54/39/35/551543935.db2.gz CDJHLWARYZIXPJ-OXJNMPFZSA-N 2 2 356.470 2.364 50 0 FEAALP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc3c(c2)OCCO3)CCC[N@H+]1C ZINC000284413734 551543938 /nfs/dbraw/zinc/54/39/38/551543938.db2.gz CDJHLWARYZIXPJ-OXJNMPFZSA-N 2 2 356.470 2.364 50 0 FEAALP Cn1cnc2cc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3ccnn3C)ccc21 ZINC000284518102 551567645 /nfs/dbraw/zinc/56/76/45/551567645.db2.gz LPPVMSLLLHGWSI-OXJNMPFZSA-N 2 2 352.486 2.480 50 0 FEAALP Cn1cnc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@H]3c3ccnn3C)ccc21 ZINC000284518102 551567649 /nfs/dbraw/zinc/56/76/49/551567649.db2.gz LPPVMSLLLHGWSI-OXJNMPFZSA-N 2 2 352.486 2.480 50 0 FEAALP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2nc(NC)cc(C)[nH+]2)c1 ZINC000426536527 559737286 /nfs/dbraw/zinc/73/72/86/559737286.db2.gz RERWDNFFFLUNHV-KRWDZBQOSA-N 2 2 353.470 2.708 50 0 FEAALP CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2nc(NC)cc(C)[nH+]2)c1 ZINC000426536527 559737287 /nfs/dbraw/zinc/73/72/87/559737287.db2.gz RERWDNFFFLUNHV-KRWDZBQOSA-N 2 2 353.470 2.708 50 0 FEAALP Cc1c[nH]c(CNC(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)[nH+]1 ZINC000426589048 559738351 /nfs/dbraw/zinc/73/83/51/559738351.db2.gz NYVVOUWDRYORTK-GOSISDBHSA-N 2 2 353.470 2.103 50 0 FEAALP CC[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000426411600 570450447 /nfs/dbraw/zinc/45/04/47/570450447.db2.gz ZMAOYONNWKZRJJ-LJQANCHMSA-N 2 2 355.486 2.232 50 0 FEAALP Cc1[nH]c(C)c(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@H](CO)C3)cc2)[nH+]1 ZINC000584898035 571315773 /nfs/dbraw/zinc/31/57/73/571315773.db2.gz QPYDFVJDXTZKQI-INIZCTEOSA-N 2 2 356.470 2.128 50 0 FEAALP Cc1[nH]c(C)c(-c2ccc(C(=O)NCC[N@H+]3CCC[C@H](CO)C3)cc2)[nH+]1 ZINC000584898035 571315774 /nfs/dbraw/zinc/31/57/74/571315774.db2.gz QPYDFVJDXTZKQI-INIZCTEOSA-N 2 2 356.470 2.128 50 0 FEAALP Cc1[nH]c(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@H](CO)C3)cc2)c(C)[nH+]1 ZINC000584898035 571315775 /nfs/dbraw/zinc/31/57/75/571315775.db2.gz QPYDFVJDXTZKQI-INIZCTEOSA-N 2 2 356.470 2.128 50 0 FEAALP Cc1[nH]c(-c2ccc(C(=O)NCC[N@H+]3CCC[C@H](CO)C3)cc2)c(C)[nH+]1 ZINC000584898035 571315776 /nfs/dbraw/zinc/31/57/76/571315776.db2.gz QPYDFVJDXTZKQI-INIZCTEOSA-N 2 2 356.470 2.128 50 0 FEAALP O=C(C[N@@H+]1CCc2ccccc2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014242642 539600075 /nfs/dbraw/zinc/60/00/75/539600075.db2.gz AAMOWDVZYJCXQH-UHFFFAOYSA-N 2 2 371.525 2.196 50 0 FEAALP O=C(C[N@H+]1CCc2ccccc2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000014242642 539600079 /nfs/dbraw/zinc/60/00/79/539600079.db2.gz AAMOWDVZYJCXQH-UHFFFAOYSA-N 2 2 371.525 2.196 50 0 FEAALP Cn1ccc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000019654500 539664138 /nfs/dbraw/zinc/66/41/38/539664138.db2.gz HEKDVWZYPWMLTI-CQSZACIVSA-N 2 2 352.442 2.190 50 0 FEAALP Cn1ccc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000019654500 539664140 /nfs/dbraw/zinc/66/41/40/539664140.db2.gz HEKDVWZYPWMLTI-CQSZACIVSA-N 2 2 352.442 2.190 50 0 FEAALP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)o1 ZINC000040092300 540006479 /nfs/dbraw/zinc/00/64/79/540006479.db2.gz ILYNFROVPKFIDX-UHFFFAOYSA-N 2 2 372.469 2.283 50 0 FEAALP CCCc1cc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2[nH]c(CC)[nH+]c2C)on1 ZINC000071747597 541769934 /nfs/dbraw/zinc/76/99/34/541769934.db2.gz IMOXUJBMANYYLI-HOTGVXAUSA-N 2 2 359.474 2.183 50 0 FEAALP CCCc1cc(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2[nH]c(CC)[nH+]c2C)on1 ZINC000071747597 541769937 /nfs/dbraw/zinc/76/99/37/541769937.db2.gz IMOXUJBMANYYLI-HOTGVXAUSA-N 2 2 359.474 2.183 50 0 FEAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2ccc(Sc3ncccn3)o2)CC1 ZINC000055211121 205210221 /nfs/dbraw/zinc/21/02/21/205210221.db2.gz KRJHSOAMMDUTHE-UHFFFAOYSA-N 2 2 371.466 2.444 50 0 FEAALP COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)cc(OC)c1 ZINC000065470059 205353733 /nfs/dbraw/zinc/35/37/33/205353733.db2.gz WPFTVTUELMXARS-OAHLLOKOSA-N 2 2 358.442 2.251 50 0 FEAALP COc1cc(NC(=O)C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)cc(OC)c1 ZINC000065470059 205353736 /nfs/dbraw/zinc/35/37/36/205353736.db2.gz WPFTVTUELMXARS-OAHLLOKOSA-N 2 2 358.442 2.251 50 0 FEAALP CC(C)[NH+]1CCN(C(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)CC1 ZINC000067642427 205378224 /nfs/dbraw/zinc/37/82/24/205378224.db2.gz CZAXGLMUCLREBK-UHFFFAOYSA-N 2 2 356.470 2.473 50 0 FEAALP CC(C)[NH+]1CCN(C(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)CC1 ZINC000067642427 205378229 /nfs/dbraw/zinc/37/82/29/205378229.db2.gz CZAXGLMUCLREBK-UHFFFAOYSA-N 2 2 356.470 2.473 50 0 FEAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccs3)CC2)C1 ZINC000067673114 205381149 /nfs/dbraw/zinc/38/11/49/205381149.db2.gz INFKZZONQXLOEU-MRXNPFEDSA-N 2 2 365.543 2.187 50 0 FEAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccs3)CC2)C1 ZINC000067673114 205381153 /nfs/dbraw/zinc/38/11/53/205381153.db2.gz INFKZZONQXLOEU-MRXNPFEDSA-N 2 2 365.543 2.187 50 0 FEAALP CN1CC[NH+](Cc2ccccc2Oc2ccc3c(c2)C[C@@H](C[NH3+])O3)CC1 ZINC000067783926 205390608 /nfs/dbraw/zinc/39/06/08/205390608.db2.gz GCZQLTSYEHFUAZ-IBGZPJMESA-N 2 2 353.466 2.489 50 0 FEAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000077487156 542388340 /nfs/dbraw/zinc/38/83/40/542388340.db2.gz IIYXUOUFQHMLMQ-UHFFFAOYSA-N 2 2 369.473 2.239 50 0 FEAALP O=C1CC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082106970 542684594 /nfs/dbraw/zinc/68/45/94/542684594.db2.gz HDTIYPCVKYDMDS-HXUWFJFHSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3ccncc3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082106970 542684597 /nfs/dbraw/zinc/68/45/97/542684597.db2.gz HDTIYPCVKYDMDS-HXUWFJFHSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)CN1CCc1c[nH]c[nH+]1 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ZINC000095377840 542964688 /nfs/dbraw/zinc/96/46/88/542964688.db2.gz IEMFPHWECQBXSA-UHFFFAOYSA-N 2 2 359.474 2.459 50 0 FEAALP C[N@@H+]1CCN(C(=O)[C@]2(c3ccc(F)cc3)CC2(C)C)CC12CC[NH2+]CC2 ZINC000096180568 542994984 /nfs/dbraw/zinc/99/49/84/542994984.db2.gz YBEPOYZPZLFSIR-OAQYLSRUSA-N 2 2 359.489 2.390 50 0 FEAALP C[N@H+]1CCN(C(=O)[C@]2(c3ccc(F)cc3)CC2(C)C)CC12CC[NH2+]CC2 ZINC000096180568 542994986 /nfs/dbraw/zinc/99/49/86/542994986.db2.gz YBEPOYZPZLFSIR-OAQYLSRUSA-N 2 2 359.489 2.390 50 0 FEAALP O=C(NCc1cccnc1)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC000102682460 543077179 /nfs/dbraw/zinc/07/71/79/543077179.db2.gz CMAHALVGSTTYHI-AERCQKQUSA-N 2 2 373.460 2.262 50 0 FEAALP O=C(NCc1cccnc1)[C@H]1[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@H]21 ZINC000102682460 543077182 /nfs/dbraw/zinc/07/71/82/543077182.db2.gz CMAHALVGSTTYHI-AERCQKQUSA-N 2 2 373.460 2.262 50 0 FEAALP COc1ccccc1N1CC[C@H]([NH+]2CCC(Cc3[nH+]ccn3C)CC2)C1=O ZINC000151084291 544503085 /nfs/dbraw/zinc/50/30/85/544503085.db2.gz BSDOHBKNJGEIKU-SFHVURJKSA-N 2 2 368.481 2.489 50 0 FEAALP Cc1c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)nnn1C1CC[NH2+]CC1 ZINC000166885637 327083043 /nfs/dbraw/zinc/08/30/43/327083043.db2.gz XLRBAGANOCOQOL-UHFFFAOYSA-N 2 2 351.414 2.153 50 0 FEAALP Cc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)co1 ZINC000082127244 526860900 /nfs/dbraw/zinc/86/09/00/526860900.db2.gz XUTHPJGVXPMVLA-IBGZPJMESA-N 2 2 357.458 2.153 50 0 FEAALP Cc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)co1 ZINC000082127244 526860907 /nfs/dbraw/zinc/86/09/07/526860907.db2.gz XUTHPJGVXPMVLA-IBGZPJMESA-N 2 2 357.458 2.153 50 0 FEAALP Cc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)co1 ZINC000082127244 526860911 /nfs/dbraw/zinc/86/09/11/526860911.db2.gz XUTHPJGVXPMVLA-IBGZPJMESA-N 2 2 357.458 2.153 50 0 FEAALP Cc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)co1 ZINC000082127244 526860915 /nfs/dbraw/zinc/86/09/15/526860915.db2.gz XUTHPJGVXPMVLA-IBGZPJMESA-N 2 2 357.458 2.153 50 0 FEAALP Cc1ncc(C[N@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)s1 ZINC000020539204 527256948 /nfs/dbraw/zinc/25/69/48/527256948.db2.gz YYLJQFCPNMRJND-SFHVURJKSA-N 2 2 366.575 2.193 50 0 FEAALP Cc1ncc(C[N@@H+]2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)s1 ZINC000020539204 527256952 /nfs/dbraw/zinc/25/69/52/527256952.db2.gz YYLJQFCPNMRJND-SFHVURJKSA-N 2 2 366.575 2.193 50 0 FEAALP CC(C)N1CCC[C@H]([N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC000192614732 548367504 /nfs/dbraw/zinc/36/75/04/548367504.db2.gz PGOFXIJWRKKSGV-FQEVSTJZSA-N 2 2 358.530 2.420 50 0 FEAALP CC(C)N1CCC[C@H]([N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC000192614732 548367512 /nfs/dbraw/zinc/36/75/12/548367512.db2.gz PGOFXIJWRKKSGV-FQEVSTJZSA-N 2 2 358.530 2.420 50 0 FEAALP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245595873 548955106 /nfs/dbraw/zinc/95/51/06/548955106.db2.gz LLBMWKQZZQMYSU-RVKKMQEKSA-N 2 2 367.453 2.140 50 0 FEAALP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245595873 548955109 /nfs/dbraw/zinc/95/51/09/548955109.db2.gz LLBMWKQZZQMYSU-RVKKMQEKSA-N 2 2 367.453 2.140 50 0 FEAALP O=C1[C@H]([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569086 549675217 /nfs/dbraw/zinc/67/52/17/549675217.db2.gz VYQAIBMJIACFCN-IHETXDGRSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569086 549675221 /nfs/dbraw/zinc/67/52/21/549675221.db2.gz VYQAIBMJIACFCN-IHETXDGRSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569086 549675226 /nfs/dbraw/zinc/67/52/26/549675226.db2.gz VYQAIBMJIACFCN-IHETXDGRSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569086 549675230 /nfs/dbraw/zinc/67/52/30/549675230.db2.gz VYQAIBMJIACFCN-IHETXDGRSA-N 2 2 361.436 2.486 50 0 FEAALP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329168766 553894046 /nfs/dbraw/zinc/89/40/46/553894046.db2.gz JEDIKAWXMWKSDF-LJQANCHMSA-N 2 2 368.481 2.092 50 0 FEAALP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329168766 553894049 /nfs/dbraw/zinc/89/40/49/553894049.db2.gz JEDIKAWXMWKSDF-LJQANCHMSA-N 2 2 368.481 2.092 50 0 FEAALP Nc1nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426573171 559738141 /nfs/dbraw/zinc/73/81/41/559738141.db2.gz OAGWAPOTFFIFIT-MRXNPFEDSA-N 2 2 371.460 2.414 50 0 FEAALP CCc1[nH+]ccn1CC1(CNC(=O)CC2=CSC3=[NH+]CCCN23)CC1 ZINC000426737531 559741076 /nfs/dbraw/zinc/74/10/76/559741076.db2.gz QHRCQWYSOUHCSL-UHFFFAOYSA-N 2 2 359.499 2.382 50 0 FEAALP Cc1ncsc1CN(Cc1ccccc1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000952971720 681793950 /nfs/dbraw/zinc/79/39/50/681793950.db2.gz OUPDPLXBSXXJMO-INIZCTEOSA-N 2 2 355.467 2.273 50 0 FEAALP C/C(=C\c1ccccc1)C[NH+]1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000012342823 539556673 /nfs/dbraw/zinc/55/66/73/539556673.db2.gz VAYBNVXRLLSIIV-HTXNQAPBSA-N 2 2 371.525 2.250 50 0 FEAALP COc1ccccc1/C=C/C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000023361395 539712301 /nfs/dbraw/zinc/71/23/01/539712301.db2.gz JXAFHGITCDVKCB-XYASWCNUSA-N 2 2 373.541 2.171 50 0 FEAALP COc1ccccc1/C=C/C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000023361395 539712302 /nfs/dbraw/zinc/71/23/02/539712302.db2.gz JXAFHGITCDVKCB-XYASWCNUSA-N 2 2 373.541 2.171 50 0 FEAALP COc1ccccc1/C=C/CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000023361395 539712305 /nfs/dbraw/zinc/71/23/05/539712305.db2.gz JXAFHGITCDVKCB-XYASWCNUSA-N 2 2 373.541 2.171 50 0 FEAALP COc1ccccc1/C=C/CN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000023361395 539712308 /nfs/dbraw/zinc/71/23/08/539712308.db2.gz JXAFHGITCDVKCB-XYASWCNUSA-N 2 2 373.541 2.171 50 0 FEAALP C[NH+]1CCC(N2CC[N@H+](Cc3nc4ccccc4s3)C[C@@H]2CCO)CC1 ZINC000023373503 539712940 /nfs/dbraw/zinc/71/29/40/539712940.db2.gz HVTVBJZHBBNINR-KRWDZBQOSA-N 2 2 374.554 2.259 50 0 FEAALP C[NH+]1CCC(N2CC[N@@H+](Cc3nc4ccccc4s3)C[C@@H]2CCO)CC1 ZINC000023373503 539712943 /nfs/dbraw/zinc/71/29/43/539712943.db2.gz HVTVBJZHBBNINR-KRWDZBQOSA-N 2 2 374.554 2.259 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000072134311 541785936 /nfs/dbraw/zinc/78/59/36/541785936.db2.gz FQDYACAKFDBNDR-AWEZNQCLSA-N 2 2 351.882 2.415 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)Nc3ccc(Cl)nc3)C2)CC1 ZINC000072134311 541785940 /nfs/dbraw/zinc/78/59/40/541785940.db2.gz FQDYACAKFDBNDR-AWEZNQCLSA-N 2 2 351.882 2.415 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Cc2ccc(Cl)cc2)[nH+]cn1 ZINC000072139990 541785806 /nfs/dbraw/zinc/78/58/06/541785806.db2.gz FQWSMXGIHKUXEA-UHFFFAOYSA-N 2 2 370.844 2.395 50 0 FEAALP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000072423145 541810038 /nfs/dbraw/zinc/81/00/38/541810038.db2.gz XQDLNUSKGXGWSA-NRFANRHFSA-N 2 2 365.481 2.285 50 0 FEAALP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000072423145 541810041 /nfs/dbraw/zinc/81/00/41/541810041.db2.gz XQDLNUSKGXGWSA-NRFANRHFSA-N 2 2 365.481 2.285 50 0 FEAALP CSCCc1c(-c2ccccc2)[nH+]cn1CCC[N@@H+]1CCNC(=O)C1 ZINC000065373339 205340972 /nfs/dbraw/zinc/34/09/72/205340972.db2.gz AQFSGIQCTUFOSH-UHFFFAOYSA-N 2 2 358.511 2.278 50 0 FEAALP CSCCc1c(-c2ccccc2)[nH+]cn1CCC[N@H+]1CCNC(=O)C1 ZINC000065373339 205340975 /nfs/dbraw/zinc/34/09/75/205340975.db2.gz AQFSGIQCTUFOSH-UHFFFAOYSA-N 2 2 358.511 2.278 50 0 FEAALP Cc1cccc(OCC[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1C ZINC000065406302 205346569 /nfs/dbraw/zinc/34/65/69/205346569.db2.gz XAIQPEHWVNBLEU-UHFFFAOYSA-N 2 2 359.514 2.488 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc(F)cc2F)[nH+]cn1 ZINC000067613353 205378075 /nfs/dbraw/zinc/37/80/75/205378075.db2.gz JAEKPQKRNQZPLB-UHFFFAOYSA-N 2 2 373.367 2.483 50 0 FEAALP O[C@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077440335 542382487 /nfs/dbraw/zinc/38/24/87/542382487.db2.gz YUSVHBSLYIZSHK-FQEVSTJZSA-N 2 2 358.461 2.434 50 0 FEAALP O[C@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077440335 542382490 /nfs/dbraw/zinc/38/24/90/542382490.db2.gz YUSVHBSLYIZSHK-FQEVSTJZSA-N 2 2 358.461 2.434 50 0 FEAALP CCCCSc1nc(N2CCC(O)(Cn3cc[nH+]c3)CC2)cc(N)[nH+]1 ZINC000095354136 132207115 /nfs/dbraw/zinc/20/71/15/132207115.db2.gz LMGLPQONZIWMTA-UHFFFAOYSA-N 2 2 362.503 2.179 50 0 FEAALP CCCCSc1nc(N)cc(N2CCC(O)(Cn3cc[nH+]c3)CC2)[nH+]1 ZINC000095354136 132207117 /nfs/dbraw/zinc/20/71/17/132207117.db2.gz LMGLPQONZIWMTA-UHFFFAOYSA-N 2 2 362.503 2.179 50 0 FEAALP Cc1cc(N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000095469779 132211559 /nfs/dbraw/zinc/21/15/59/132211559.db2.gz KCAVAOKMJBSBMP-UHFFFAOYSA-N 2 2 353.470 2.330 50 0 FEAALP Cc1ccc[nH+]c1N1CCN(C(=O)CC2=CSC3=[NH+]CCCN23)CC1 ZINC000101984422 132234581 /nfs/dbraw/zinc/23/45/81/132234581.db2.gz FJPYXOXNJJWMPY-UHFFFAOYSA-N 2 2 357.483 2.079 50 0 FEAALP CC(C)Nc1cc(N2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)nc[nH+]1 ZINC000106970754 132240827 /nfs/dbraw/zinc/24/08/27/132240827.db2.gz FDOUVDFWSADTFS-HNNXBMFYSA-N 2 2 361.515 2.432 50 0 FEAALP CC(C)Nc1cc(N2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)nc[nH+]1 ZINC000106970754 132240828 /nfs/dbraw/zinc/24/08/28/132240828.db2.gz FDOUVDFWSADTFS-HNNXBMFYSA-N 2 2 361.515 2.432 50 0 FEAALP Cc1nc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)c(C)c(C)[nH+]1 ZINC000230189599 132289210 /nfs/dbraw/zinc/28/92/10/132289210.db2.gz HTYIJDGGSDRADK-OAQYLSRUSA-N 2 2 371.529 2.315 50 0 FEAALP Cc1nc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)c(C)c(C)[nH+]1 ZINC000230189599 132289211 /nfs/dbraw/zinc/28/92/11/132289211.db2.gz HTYIJDGGSDRADK-OAQYLSRUSA-N 2 2 371.529 2.315 50 0 FEAALP CCc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cscn1)C2 ZINC000091986628 542835086 /nfs/dbraw/zinc/83/50/86/542835086.db2.gz UTXNXMBEHUCJGE-GOEBONIOSA-N 2 2 359.499 2.025 50 0 FEAALP CCc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cscn1)C2 ZINC000091986628 542835090 /nfs/dbraw/zinc/83/50/90/542835090.db2.gz UTXNXMBEHUCJGE-GOEBONIOSA-N 2 2 359.499 2.025 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)Cc2cccnc2)CC1 ZINC000095371059 542962616 /nfs/dbraw/zinc/96/26/16/542962616.db2.gz YTYGYBOOCYUVLW-UHFFFAOYSA-N 2 2 355.486 2.179 50 0 FEAALP COc1cccc(C[N@@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CCO)c1 ZINC000072409295 136145262 /nfs/dbraw/zinc/14/52/62/136145262.db2.gz YGTZKOMYLMNSBJ-INIZCTEOSA-N 2 2 367.453 2.040 50 0 FEAALP COc1cccc(C[N@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CCO)c1 ZINC000072409295 136145263 /nfs/dbraw/zinc/14/52/63/136145263.db2.gz YGTZKOMYLMNSBJ-INIZCTEOSA-N 2 2 367.453 2.040 50 0 FEAALP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccccc2Br)CC1 ZINC000095459751 542971063 /nfs/dbraw/zinc/97/10/63/542971063.db2.gz PJBJJFSSCJWBDS-UHFFFAOYSA-N 2 2 369.303 2.108 50 0 FEAALP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000095941566 542983817 /nfs/dbraw/zinc/98/38/17/542983817.db2.gz BWCRJRATABFZQV-UXHICEINSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000095941566 542983821 /nfs/dbraw/zinc/98/38/21/542983821.db2.gz BWCRJRATABFZQV-UXHICEINSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@@H](CNC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000095941566 542983824 /nfs/dbraw/zinc/98/38/24/542983824.db2.gz BWCRJRATABFZQV-UXHICEINSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@@H](CNC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000095941566 542983827 /nfs/dbraw/zinc/98/38/27/542983827.db2.gz BWCRJRATABFZQV-UXHICEINSA-N 3 2 360.546 2.212 50 0 FEAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000096141998 542993784 /nfs/dbraw/zinc/99/37/84/542993784.db2.gz FYPMYRNFDMYUBQ-UHFFFAOYSA-N 2 2 371.485 2.028 50 0 FEAALP O=c1occ(C[N@@H+]2CCc3ccccc3C2)c(O)c1C[NH+]1CCSCC1 ZINC000101375012 543027065 /nfs/dbraw/zinc/02/70/65/543027065.db2.gz OGMVXVACRNIEJW-UHFFFAOYSA-N 2 2 372.490 2.453 50 0 FEAALP O=c1occ(C[N@H+]2CCc3ccccc3C2)c(O)c1C[NH+]1CCSCC1 ZINC000101375012 543027068 /nfs/dbraw/zinc/02/70/68/543027068.db2.gz OGMVXVACRNIEJW-UHFFFAOYSA-N 2 2 372.490 2.453 50 0 FEAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CC[NH2+][C@H](C)C3)csc2C1 ZINC000426361930 263565299 /nfs/dbraw/zinc/56/52/99/263565299.db2.gz KQMPNJUDAHHNGN-GFCCVEGCSA-N 2 2 374.510 2.345 50 0 FEAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CC[NH2+][C@H](C)C3)csc2C1 ZINC000426361930 263565301 /nfs/dbraw/zinc/56/53/01/263565301.db2.gz KQMPNJUDAHHNGN-GFCCVEGCSA-N 2 2 374.510 2.345 50 0 FEAALP Cc1ccc2ncc(C[NH+]3CCC(CC(=O)N4CC[NH+](C)CC4)CC3)n2c1 ZINC000093143134 325435719 /nfs/dbraw/zinc/43/57/19/325435719.db2.gz BZDTZSQNVKMRFA-UHFFFAOYSA-N 2 2 369.513 2.019 50 0 FEAALP CC(C)NC(=O)C[N@H+](C)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000089885235 519705261 /nfs/dbraw/zinc/70/52/61/519705261.db2.gz DZSXLDAKTSGKQD-UHFFFAOYSA-N 2 2 351.466 2.125 50 0 FEAALP CC(C)NC(=O)C[N@@H+](C)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000089885235 519705263 /nfs/dbraw/zinc/70/52/63/519705263.db2.gz DZSXLDAKTSGKQD-UHFFFAOYSA-N 2 2 351.466 2.125 50 0 FEAALP C[N@H+](CC(=O)N1CCC(Oc2ccccc2Cl)CC1)C1CC[NH2+]CC1 ZINC000082109631 522427878 /nfs/dbraw/zinc/42/78/78/522427878.db2.gz CZXDRGFOQYUXFN-UHFFFAOYSA-N 2 2 365.905 2.394 50 0 FEAALP C[N@@H+](CC(=O)N1CCC(Oc2ccccc2Cl)CC1)C1CC[NH2+]CC1 ZINC000082109631 522427892 /nfs/dbraw/zinc/42/78/92/522427892.db2.gz CZXDRGFOQYUXFN-UHFFFAOYSA-N 2 2 365.905 2.394 50 0 FEAALP CCN(C)c1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1 ZINC000095378828 535765617 /nfs/dbraw/zinc/76/56/17/535765617.db2.gz ZVJNGFKUDPNWEZ-INIZCTEOSA-N 3 2 357.506 2.075 50 0 FEAALP CCc1cc(N2CCC(N3CC[NH+](C4CCOCC4)CC3)CC2)nc(C)[nH+]1 ZINC000096133097 536145097 /nfs/dbraw/zinc/14/50/97/536145097.db2.gz PMAXQCWIRNVYPU-UHFFFAOYSA-N 2 2 373.545 2.113 50 0 FEAALP COc1cc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)nc(N)[nH+]1 ZINC000092062319 536825943 /nfs/dbraw/zinc/82/59/43/536825943.db2.gz SJFVIEHWDAVAGY-UHFFFAOYSA-N 2 2 365.441 2.091 50 0 FEAALP CCn1c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000248153339 549412375 /nfs/dbraw/zinc/41/23/75/549412375.db2.gz UXVSQGBQTKKEPA-QGZVFWFLSA-N 2 2 369.513 2.042 50 0 FEAALP CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000248153339 549412379 /nfs/dbraw/zinc/41/23/79/549412379.db2.gz UXVSQGBQTKKEPA-QGZVFWFLSA-N 2 2 369.513 2.042 50 0 FEAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)C1 ZINC000252512076 549671831 /nfs/dbraw/zinc/67/18/31/549671831.db2.gz MEFCXFLNGHCPLT-GBAJDQEWSA-N 2 2 373.541 2.149 50 0 FEAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]([C@H]2CCOC2)N2CCOCC2)C1 ZINC000252512076 549671834 /nfs/dbraw/zinc/67/18/34/549671834.db2.gz MEFCXFLNGHCPLT-GBAJDQEWSA-N 2 2 373.541 2.149 50 0 FEAALP CC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)Cc1ccccc1O2 ZINC000257185031 549713862 /nfs/dbraw/zinc/71/38/62/549713862.db2.gz JCRZETFPJDCAMM-UHFFFAOYSA-N 2 2 354.454 2.159 50 0 FEAALP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282666177 551257148 /nfs/dbraw/zinc/25/71/48/551257148.db2.gz GQZGKWFHFXTPEH-LJQANCHMSA-N 2 2 368.481 2.116 50 0 FEAALP Cc1cccnc1C[NH+]1CCN(C(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000534658122 562539434 /nfs/dbraw/zinc/53/94/34/562539434.db2.gz CJKYKLUGKHSQDK-UHFFFAOYSA-N 2 2 359.518 2.093 50 0 FEAALP Nc1ccc2c(c1)[nH+]c1n2CC(=O)N(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000032124392 539930052 /nfs/dbraw/zinc/93/00/52/539930052.db2.gz SDXBHNNQUZOQOX-WMLDXEAASA-N 2 2 353.470 2.225 50 0 FEAALP Nc1ccc2c(c1)[nH+]c1n2CC(=O)N(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000032124392 539930053 /nfs/dbraw/zinc/93/00/53/539930053.db2.gz SDXBHNNQUZOQOX-WMLDXEAASA-N 2 2 353.470 2.225 50 0 FEAALP O=C(CC[N@@H+]1CCc2sccc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032776787 539952933 /nfs/dbraw/zinc/95/29/33/539952933.db2.gz XZGXOPRHEQCCLH-UHFFFAOYSA-N 2 2 356.495 2.240 50 0 FEAALP O=C(CC[N@H+]1CCc2sccc2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000032776787 539952937 /nfs/dbraw/zinc/95/29/37/539952937.db2.gz XZGXOPRHEQCCLH-UHFFFAOYSA-N 2 2 356.495 2.240 50 0 FEAALP C[C@@H](CCNc1nc(-c2ccncc2)nc2c1CC[NH2+]CC2)n1cc[nH+]c1 ZINC000065408686 541237005 /nfs/dbraw/zinc/23/70/05/541237005.db2.gz DVCDMAKGKWPFFN-HNNXBMFYSA-N 2 2 363.469 2.487 50 0 FEAALP Cn1cc[nH+]c1CN(CCO)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000097436929 209181359 /nfs/dbraw/zinc/18/13/59/209181359.db2.gz DIFACIFZYRIKOO-UHFFFAOYSA-N 2 2 356.470 2.041 50 0 FEAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000071681764 541768699 /nfs/dbraw/zinc/76/86/99/541768699.db2.gz OGBWEOUBCYTDMN-SFHVURJKSA-N 2 2 356.514 2.380 50 0 FEAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000071681764 541768702 /nfs/dbraw/zinc/76/87/02/541768702.db2.gz OGBWEOUBCYTDMN-SFHVURJKSA-N 2 2 356.514 2.380 50 0 FEAALP O=C(c1ccccc1[C@@H]1CC[NH2+]C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000072169256 541794861 /nfs/dbraw/zinc/79/48/61/541794861.db2.gz DSVWAEYBKIMFSL-LJQANCHMSA-N 2 2 364.493 2.159 50 0 FEAALP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000072310037 541799020 /nfs/dbraw/zinc/79/90/20/541799020.db2.gz ZWAXQRIBHKMJIP-UXHICEINSA-N 2 2 357.498 2.009 50 0 FEAALP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000072310037 541799023 /nfs/dbraw/zinc/79/90/23/541799023.db2.gz ZWAXQRIBHKMJIP-UXHICEINSA-N 2 2 357.498 2.009 50 0 FEAALP CC[C@H](C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000072407177 541805525 /nfs/dbraw/zinc/80/55/25/541805525.db2.gz HMPXTULPPNNOSW-OAQYLSRUSA-N 2 2 373.541 2.263 50 0 FEAALP O=C(CSCC[NH+]1CCCC1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072432005 541812802 /nfs/dbraw/zinc/81/28/02/541812802.db2.gz CVTGCIWXIFLROM-UHFFFAOYSA-N 2 2 365.518 2.299 50 0 FEAALP Cc1ncc2c(c1CNC(=O)c1cnc(C[NH+]3CCCC3)s1)CC[NH2+]C2 ZINC000072439935 541814961 /nfs/dbraw/zinc/81/49/61/541814961.db2.gz FSRWTUASKYOCCT-UHFFFAOYSA-N 2 2 371.510 2.018 50 0 FEAALP c1coc(C[N@@H+]2CCc3ncnc(NCCCn4cc[nH+]c4)c3CC2)c1 ZINC000072467964 541817863 /nfs/dbraw/zinc/81/78/63/541817863.db2.gz NMZHONCDXIWKID-UHFFFAOYSA-N 2 2 352.442 2.369 50 0 FEAALP c1coc(C[N@H+]2CCc3ncnc(NCCCn4cc[nH+]c4)c3CC2)c1 ZINC000072467964 541817866 /nfs/dbraw/zinc/81/78/66/541817866.db2.gz NMZHONCDXIWKID-UHFFFAOYSA-N 2 2 352.442 2.369 50 0 FEAALP C[NH+](C)[C@H](C(=O)N1CC[NH+](C2CCSCC2)CC1)c1ccc(F)cc1 ZINC000095358616 209026018 /nfs/dbraw/zinc/02/60/18/209026018.db2.gz UALXEKIKIFRKNI-SFHVURJKSA-N 2 2 365.518 2.468 50 0 FEAALP C[NH+](C)[C@@H](C(=O)NC1(C[NH+]2CCOCC2)CCCC1)c1cccc(F)c1 ZINC000095390211 209045326 /nfs/dbraw/zinc/04/53/26/209045326.db2.gz NHIBCBZWTHCNFG-GOSISDBHSA-N 2 2 363.477 2.190 50 0 FEAALP C[NH+](C)[C@@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1ccccc1F ZINC000095385082 209042550 /nfs/dbraw/zinc/04/25/50/209042550.db2.gz WZFJBMFJAUMJBI-GOSISDBHSA-N 2 2 365.518 2.468 50 0 FEAALP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000082167139 542686232 /nfs/dbraw/zinc/68/62/32/542686232.db2.gz RIVZGSRHWSXWMH-ZDUSSCGKSA-N 2 2 357.845 2.461 50 0 FEAALP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000082167139 542686235 /nfs/dbraw/zinc/68/62/35/542686235.db2.gz RIVZGSRHWSXWMH-ZDUSSCGKSA-N 2 2 357.845 2.461 50 0 FEAALP Cc1ccc[nH+]c1N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)o2)CC1 ZINC000091951538 132205093 /nfs/dbraw/zinc/20/50/93/132205093.db2.gz WVRSDRRODTTXHA-UHFFFAOYSA-N 2 2 351.410 2.190 50 0 FEAALP Cc1cccnc1C[NH+]1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000095506042 132212482 /nfs/dbraw/zinc/21/24/82/132212482.db2.gz KFNLFOKPWDWDSJ-UHFFFAOYSA-N 2 2 352.486 2.493 50 0 FEAALP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000093018063 542903248 /nfs/dbraw/zinc/90/32/48/542903248.db2.gz UESMOOOMVFUQAZ-KRWDZBQOSA-N 2 2 355.486 2.026 50 0 FEAALP Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000093018063 542903250 /nfs/dbraw/zinc/90/32/50/542903250.db2.gz UESMOOOMVFUQAZ-KRWDZBQOSA-N 2 2 355.486 2.026 50 0 FEAALP Cc1c[nH+]c(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071614115 136139451 /nfs/dbraw/zinc/13/94/51/136139451.db2.gz XDYXYEYFPLTQSK-MRXNPFEDSA-N 2 2 357.502 2.053 50 0 FEAALP Cc1c[nH+]c(C)nc1N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071614115 136139452 /nfs/dbraw/zinc/13/94/52/136139452.db2.gz XDYXYEYFPLTQSK-MRXNPFEDSA-N 2 2 357.502 2.053 50 0 FEAALP CNc1cc(C)[nH+]c(N2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)n1 ZINC000072422098 136146130 /nfs/dbraw/zinc/14/61/30/136146130.db2.gz UQYFEKZKBCKQFA-SFHVURJKSA-N 2 2 355.486 2.208 50 0 FEAALP CNc1cc(C)[nH+]c(N2CC[N@@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)n1 ZINC000072422098 136146131 /nfs/dbraw/zinc/14/61/31/136146131.db2.gz UQYFEKZKBCKQFA-SFHVURJKSA-N 2 2 355.486 2.208 50 0 FEAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OC)c(OC)c2)nc[nH+]1 ZINC000109070319 543312940 /nfs/dbraw/zinc/31/29/40/543312940.db2.gz QOXOGSODHNKSKA-HNNXBMFYSA-N 2 2 357.458 2.294 50 0 FEAALP Cc1cccc(-n2ncc3c2nc[nH+]c3NCCC[NH+]2CCOCC2)c1 ZINC000019928400 524148786 /nfs/dbraw/zinc/14/87/86/524148786.db2.gz XTGKKMWEBMVSDK-UHFFFAOYSA-N 2 2 352.442 2.258 50 0 FEAALP Cc1ccccc1-n1cc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000091462409 525030894 /nfs/dbraw/zinc/03/08/94/525030894.db2.gz FBFNAESZRNAUSC-WOJBJXKFSA-N 2 2 354.498 2.317 50 0 FEAALP Cc1ccccc1-n1cc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cn1 ZINC000091462409 525030910 /nfs/dbraw/zinc/03/09/10/525030910.db2.gz FBFNAESZRNAUSC-WOJBJXKFSA-N 2 2 354.498 2.317 50 0 FEAALP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000240444272 548885003 /nfs/dbraw/zinc/88/50/03/548885003.db2.gz FXDLRNUUKUJOAD-FXAWDEMLSA-N 2 2 357.498 2.218 50 0 FEAALP Cc1cc(=O)n(CC[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(=O)[nH]1 ZINC000253536620 549691435 /nfs/dbraw/zinc/69/14/35/549691435.db2.gz IUWWKHJJTPXPGR-HNNXBMFYSA-N 2 2 367.453 2.088 50 0 FEAALP Cc1cc(=O)n(CC[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(=O)[nH]1 ZINC000253536620 549691437 /nfs/dbraw/zinc/69/14/37/549691437.db2.gz IUWWKHJJTPXPGR-HNNXBMFYSA-N 2 2 367.453 2.088 50 0 FEAALP Cc1[nH+]c2ccc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)cc2n1C ZINC000370124998 556787180 /nfs/dbraw/zinc/78/71/80/556787180.db2.gz YFNIBYDGXOCPBR-MRXNPFEDSA-N 2 2 356.470 2.066 50 0 FEAALP COc1ccc2[nH]c(CCNC(=O)N3CCC([NH+]4CCCC4)CC3)[nH+]c2c1 ZINC000426658453 559739779 /nfs/dbraw/zinc/73/97/79/559739779.db2.gz PTLBSNREFBEOEE-UHFFFAOYSA-N 2 2 371.485 2.384 50 0 FEAALP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000685942549 571102620 /nfs/dbraw/zinc/10/26/20/571102620.db2.gz ORYOCHRRRCDWTO-OAHLLOKOSA-N 2 2 356.474 2.113 50 0 FEAALP CC[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000426438523 571225063 /nfs/dbraw/zinc/22/50/63/571225063.db2.gz CTHAZJADPZMOCO-GOSISDBHSA-N 2 2 374.529 2.254 50 0 FEAALP CC[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000426438523 571225065 /nfs/dbraw/zinc/22/50/65/571225065.db2.gz CTHAZJADPZMOCO-GOSISDBHSA-N 2 2 374.529 2.254 50 0 FEAALP O=C(NC1(C[NH+]2CCCCC2)CC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000584897452 571315611 /nfs/dbraw/zinc/31/56/11/571315611.db2.gz RJDGOXINRDIRPW-UHFFFAOYSA-N 2 2 372.513 2.238 50 0 FEAALP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000174448242 672361272 /nfs/dbraw/zinc/36/12/72/672361272.db2.gz RYNZMHJWKJQBFK-GOSISDBHSA-N 2 2 365.905 2.141 50 0 FEAALP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000174448242 672361275 /nfs/dbraw/zinc/36/12/75/672361275.db2.gz RYNZMHJWKJQBFK-GOSISDBHSA-N 2 2 365.905 2.141 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccccc2OC)C3)CC1 ZINC000015779425 539623491 /nfs/dbraw/zinc/62/34/91/539623491.db2.gz ONOGBTKVUUVBDW-UHFFFAOYSA-N 2 2 367.497 2.185 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccccc2OC)C3)CC1 ZINC000015779425 539623495 /nfs/dbraw/zinc/62/34/95/539623495.db2.gz ONOGBTKVUUVBDW-UHFFFAOYSA-N 2 2 367.497 2.185 50 0 FEAALP Cc1c(C)n(CC[NH+]2CCOCC2)c2nc[nH+]c(NCc3ccncc3)c12 ZINC000020625245 539676478 /nfs/dbraw/zinc/67/64/78/539676478.db2.gz HTNWJLQFHWDBGI-UHFFFAOYSA-N 2 2 366.469 2.387 50 0 FEAALP CCCn1cc[nH+]c1CN1CCN(c2nc(N(C)C)[nH+]c(C)c2C)CC1 ZINC000065396201 541235923 /nfs/dbraw/zinc/23/59/23/541235923.db2.gz QFQODDUTMZLZKX-UHFFFAOYSA-N 2 2 357.506 2.088 50 0 FEAALP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067713014 541504225 /nfs/dbraw/zinc/50/42/25/541504225.db2.gz QSPKDDKMGNQDGV-QGZVFWFLSA-N 2 2 365.437 2.389 50 0 FEAALP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000067713014 541504228 /nfs/dbraw/zinc/50/42/28/541504228.db2.gz QSPKDDKMGNQDGV-QGZVFWFLSA-N 2 2 365.437 2.389 50 0 FEAALP CN1CC[NH+](Cc2ccccc2Oc2ccc3c(c2)C[C@H](C[NH3+])O3)CC1 ZINC000067783923 541513398 /nfs/dbraw/zinc/51/33/98/541513398.db2.gz GCZQLTSYEHFUAZ-LJQANCHMSA-N 2 2 353.466 2.489 50 0 FEAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CC=CC1 ZINC000071759656 541771034 /nfs/dbraw/zinc/77/10/34/541771034.db2.gz FEKNYJYFEVRBPR-IBGZPJMESA-N 2 2 354.498 2.156 50 0 FEAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CC=CC1 ZINC000071759656 541771039 /nfs/dbraw/zinc/77/10/39/541771039.db2.gz FEKNYJYFEVRBPR-IBGZPJMESA-N 2 2 354.498 2.156 50 0 FEAALP Nc1nc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc[nH+]1 ZINC000072122433 541784504 /nfs/dbraw/zinc/78/45/04/541784504.db2.gz KKEYTEAVQGHZQA-FSPWUOQZSA-N 2 2 357.408 2.404 50 0 FEAALP C[C@H]1CCCC[N@@H+]1C1CN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000072149365 541788843 /nfs/dbraw/zinc/78/88/43/541788843.db2.gz HPKBLLIIEVSFNA-IBGZPJMESA-N 2 2 373.541 2.456 50 0 FEAALP C[C@H]1CCCC[N@H+]1C1CN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000072149365 541788847 /nfs/dbraw/zinc/78/88/47/541788847.db2.gz HPKBLLIIEVSFNA-IBGZPJMESA-N 2 2 373.541 2.456 50 0 FEAALP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+]([C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072423373 541809678 /nfs/dbraw/zinc/80/96/78/541809678.db2.gz QBFODUIGRMHFFU-SFHVURJKSA-N 3 2 366.550 2.003 50 0 FEAALP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+]([C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072423373 541809680 /nfs/dbraw/zinc/80/96/80/541809680.db2.gz QBFODUIGRMHFFU-SFHVURJKSA-N 3 2 366.550 2.003 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072458715 541816742 /nfs/dbraw/zinc/81/67/42/541816742.db2.gz GCXODXWNKCNIMA-SFHVURJKSA-N 2 2 369.513 2.151 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072458715 541816747 /nfs/dbraw/zinc/81/67/47/541816747.db2.gz GCXODXWNKCNIMA-SFHVURJKSA-N 2 2 369.513 2.151 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072458714 541817046 /nfs/dbraw/zinc/81/70/46/541817046.db2.gz GCXODXWNKCNIMA-GOSISDBHSA-N 2 2 369.513 2.151 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072458714 541817049 /nfs/dbraw/zinc/81/70/49/541817049.db2.gz GCXODXWNKCNIMA-GOSISDBHSA-N 2 2 369.513 2.151 50 0 FEAALP O=c1cc(-c2ccncc2)nc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)[nH]1 ZINC000048187632 208389536 /nfs/dbraw/zinc/38/95/36/208389536.db2.gz UWKXBHNMKIAQMW-UHFFFAOYSA-N 2 2 361.449 2.294 50 0 FEAALP O=c1cc(-c2ccncc2)nc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)[nH]1 ZINC000048187632 208389543 /nfs/dbraw/zinc/38/95/43/208389543.db2.gz UWKXBHNMKIAQMW-UHFFFAOYSA-N 2 2 361.449 2.294 50 0 FEAALP Cc1ccc2[nH]c(C[NH+]3CCC(O)(Cn4cc[nH+]c4)CC3)cc(=O)c2c1 ZINC000091848955 209000813 /nfs/dbraw/zinc/00/08/13/209000813.db2.gz AQONJYUIKBTABA-UHFFFAOYSA-N 2 2 352.438 2.060 50 0 FEAALP COc1ccc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3C)CC2)cc1 ZINC000091966428 209007339 /nfs/dbraw/zinc/00/73/39/209007339.db2.gz JHHQQSYJPLPVML-UHFFFAOYSA-N 2 2 366.469 2.448 50 0 FEAALP CCCn1ccnc1C[N@@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095387837 209046383 /nfs/dbraw/zinc/04/63/83/209046383.db2.gz XPZYNQXPQFUKPU-INIZCTEOSA-N 2 2 368.489 2.046 50 0 FEAALP CCCn1ccnc1C[N@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095387837 209046386 /nfs/dbraw/zinc/04/63/86/209046386.db2.gz XPZYNQXPQFUKPU-INIZCTEOSA-N 2 2 368.489 2.046 50 0 FEAALP C[C@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000095456054 209052769 /nfs/dbraw/zinc/05/27/69/209052769.db2.gz NTKVWQNMNACXGL-UWJYYQICSA-N 2 2 370.541 2.107 50 0 FEAALP C[C@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000095456054 209052771 /nfs/dbraw/zinc/05/27/71/209052771.db2.gz NTKVWQNMNACXGL-UWJYYQICSA-N 2 2 370.541 2.107 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000095501455 209062871 /nfs/dbraw/zinc/06/28/71/209062871.db2.gz YDIPMWOKHINCBK-INIZCTEOSA-N 2 2 370.501 2.455 50 0 FEAALP COc1cc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)ccn1 ZINC000095504489 209065848 /nfs/dbraw/zinc/06/58/48/209065848.db2.gz ICUDOPDHTAAIDM-QGZVFWFLSA-N 2 2 371.485 2.258 50 0 FEAALP CCCc1cc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC)CC3)nc(C)[nH+]1 ZINC000091289306 132200816 /nfs/dbraw/zinc/20/08/16/132200816.db2.gz PXXQBGDZTDSSTP-FQEVSTJZSA-N 2 2 359.518 2.261 50 0 FEAALP CCCc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC)CC3)nc(C)[nH+]1 ZINC000091289306 132200817 /nfs/dbraw/zinc/20/08/17/132200817.db2.gz PXXQBGDZTDSSTP-FQEVSTJZSA-N 2 2 359.518 2.261 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000095391916 132210757 /nfs/dbraw/zinc/21/07/57/132210757.db2.gz HTVCECAWYGQIQE-MRXNPFEDSA-N 2 2 357.458 2.312 50 0 FEAALP NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2cc(OCC3CC3)cc[nH+]2)CC1 ZINC000096006359 132216923 /nfs/dbraw/zinc/21/69/23/132216923.db2.gz OUFZSGRBANASQZ-FQEVSTJZSA-N 2 2 366.465 2.219 50 0 FEAALP Cc1c[nH+]c(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071765209 136140972 /nfs/dbraw/zinc/14/09/72/136140972.db2.gz WDXCDGXSNWUNJE-SFHVURJKSA-N 2 2 371.529 2.397 50 0 FEAALP Cc1c[nH+]c(C)nc1N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071765209 136140973 /nfs/dbraw/zinc/14/09/73/136140973.db2.gz WDXCDGXSNWUNJE-SFHVURJKSA-N 2 2 371.529 2.397 50 0 FEAALP OCC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1CCc1ccccc1 ZINC000072481637 136149834 /nfs/dbraw/zinc/14/98/34/136149834.db2.gz XCPZNMIHGJQMAW-KRWDZBQOSA-N 2 2 351.454 2.074 50 0 FEAALP OCC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1CCc1ccccc1 ZINC000072481637 136149835 /nfs/dbraw/zinc/14/98/35/136149835.db2.gz XCPZNMIHGJQMAW-KRWDZBQOSA-N 2 2 351.454 2.074 50 0 FEAALP CCn1ncc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1C ZINC000095522202 209074862 /nfs/dbraw/zinc/07/48/62/209074862.db2.gz LMMMVRCOTKZTMD-QGZVFWFLSA-N 2 2 372.517 2.379 50 0 FEAALP COc1cc(C(=O)NCc2ccc[nH+]c2N)ccc1OC1CC[NH+](C)CC1 ZINC000095528997 209077486 /nfs/dbraw/zinc/07/74/86/209077486.db2.gz LAAOCAFWKCRNEF-UHFFFAOYSA-N 2 2 370.453 2.075 50 0 FEAALP COCC[NH+]1CCC(C(=O)N2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)CC1 ZINC000082137827 523812393 /nfs/dbraw/zinc/81/23/93/523812393.db2.gz QAIZZRTZQHZDCV-LJQANCHMSA-N 2 2 374.529 2.358 50 0 FEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000097815045 524906725 /nfs/dbraw/zinc/90/67/25/524906725.db2.gz UQRMXOPDNXFUKF-INIZCTEOSA-N 2 2 365.905 2.123 50 0 FEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000097815045 524906736 /nfs/dbraw/zinc/90/67/36/524906736.db2.gz UQRMXOPDNXFUKF-INIZCTEOSA-N 2 2 365.905 2.123 50 0 FEAALP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177205573 546569778 /nfs/dbraw/zinc/56/97/78/546569778.db2.gz VVBCJHREMGDCAX-WOJBJXKFSA-N 2 2 368.481 2.084 50 0 FEAALP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177205573 546569781 /nfs/dbraw/zinc/56/97/81/546569781.db2.gz VVBCJHREMGDCAX-WOJBJXKFSA-N 2 2 368.481 2.084 50 0 FEAALP Cn1ccc2cc(C[NH+]3CCC(C(N)=O)([NH+]4CCCCC4)CC3)ccc21 ZINC000215364327 548671242 /nfs/dbraw/zinc/67/12/42/548671242.db2.gz INHCILPZMOYHMO-UHFFFAOYSA-N 2 2 354.498 2.484 50 0 FEAALP COCCn1c[nH+]cc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000219570411 548695346 /nfs/dbraw/zinc/69/53/46/548695346.db2.gz IOTGFJNCRZYABX-LJQANCHMSA-N 2 2 356.470 2.200 50 0 FEAALP COCCn1c[nH+]cc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000219570411 548695349 /nfs/dbraw/zinc/69/53/49/548695349.db2.gz IOTGFJNCRZYABX-LJQANCHMSA-N 2 2 356.470 2.200 50 0 FEAALP Nc1nc(N2CCCN(c3ccc(F)cc3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220158622 548698457 /nfs/dbraw/zinc/69/84/57/548698457.db2.gz BNUQUSADCIJDQM-UHFFFAOYSA-N 2 2 356.449 2.119 50 0 FEAALP COc1cccc(F)c1C[N@@H+]1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000221244091 548704058 /nfs/dbraw/zinc/70/40/58/548704058.db2.gz RWCSXCFAFQIWFW-SFHVURJKSA-N 2 2 362.449 2.032 50 0 FEAALP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000246289049 549096809 /nfs/dbraw/zinc/09/68/09/549096809.db2.gz CFWUIOFAGVXHEG-AHRSYUTCSA-N 2 2 359.514 2.029 50 0 FEAALP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000246289049 549096814 /nfs/dbraw/zinc/09/68/14/549096814.db2.gz CFWUIOFAGVXHEG-AHRSYUTCSA-N 2 2 359.514 2.029 50 0 FEAALP Nc1nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426573169 559738169 /nfs/dbraw/zinc/73/81/69/559738169.db2.gz OAGWAPOTFFIFIT-INIZCTEOSA-N 2 2 371.460 2.414 50 0 FEAALP Cc1cccc([C@H](C)NC(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC000534640389 562539023 /nfs/dbraw/zinc/53/90/23/562539023.db2.gz UXLMVSKGVQKBLO-KRWDZBQOSA-N 2 2 359.518 2.263 50 0 FEAALP Cc1cccc([C@H](C)NC(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC000534640389 562539024 /nfs/dbraw/zinc/53/90/24/562539024.db2.gz UXLMVSKGVQKBLO-KRWDZBQOSA-N 2 2 359.518 2.263 50 0 FEAALP O=C(C[N@@H+]1CCc2ccccc2C1)NC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000230546046 571309433 /nfs/dbraw/zinc/30/94/33/571309433.db2.gz HUXXOHZUMDTZQS-GOSISDBHSA-N 2 2 364.493 2.473 50 0 FEAALP O=C(C[N@H+]1CCc2ccccc2C1)NC[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000230546046 571309434 /nfs/dbraw/zinc/30/94/34/571309434.db2.gz HUXXOHZUMDTZQS-GOSISDBHSA-N 2 2 364.493 2.473 50 0 FEAALP CCn1c(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244678537 209901757 /nfs/dbraw/zinc/90/17/57/209901757.db2.gz IFLWUKUPXOHCMO-CZIWCDLHSA-N 2 2 373.476 2.125 50 0 FEAALP COc1cccc(CCC(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)c1 ZINC000067560924 541480797 /nfs/dbraw/zinc/48/07/97/541480797.db2.gz VJJSHHXFWMVMHZ-UHFFFAOYSA-N 2 2 359.514 2.256 50 0 FEAALP COc1cccc(CCC(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)c1 ZINC000067560924 541480800 /nfs/dbraw/zinc/48/08/00/541480800.db2.gz VJJSHHXFWMVMHZ-UHFFFAOYSA-N 2 2 359.514 2.256 50 0 FEAALP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000067695200 541500090 /nfs/dbraw/zinc/50/00/90/541500090.db2.gz PCKMDEBZXZATEI-QGZVFWFLSA-N 2 2 353.551 2.240 50 0 FEAALP C[C@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000067695200 541500093 /nfs/dbraw/zinc/50/00/93/541500093.db2.gz PCKMDEBZXZATEI-QGZVFWFLSA-N 2 2 353.551 2.240 50 0 FEAALP Cc1ccc(C[N@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)n1-c1cccnc1 ZINC000067955562 541532953 /nfs/dbraw/zinc/53/29/53/541532953.db2.gz ZOIGSIWTRJNKHA-UHFFFAOYSA-N 2 2 353.514 2.393 50 0 FEAALP Cc1ccc(C[N@@H+]2CCN(C)C3(CC[NH+](C)CC3)C2)n1-c1cccnc1 ZINC000067955562 541532955 /nfs/dbraw/zinc/53/29/55/541532955.db2.gz ZOIGSIWTRJNKHA-UHFFFAOYSA-N 2 2 353.514 2.393 50 0 FEAALP Cc1ccc(CN2CC[N@H+](C)C3(CC[NH+](C)CC3)C2)n1-c1cccnc1 ZINC000067955562 541532958 /nfs/dbraw/zinc/53/29/58/541532958.db2.gz ZOIGSIWTRJNKHA-UHFFFAOYSA-N 2 2 353.514 2.393 50 0 FEAALP Cc1ccc(CN2CC[N@@H+](C)C3(CC[NH+](C)CC3)C2)n1-c1cccnc1 ZINC000067955562 541532961 /nfs/dbraw/zinc/53/29/61/541532961.db2.gz ZOIGSIWTRJNKHA-UHFFFAOYSA-N 2 2 353.514 2.393 50 0 FEAALP CCn1cc[nH+]c1CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071524279 541767500 /nfs/dbraw/zinc/76/75/00/541767500.db2.gz IZQGUGHBYBTTPE-SFHVURJKSA-N 2 2 373.545 2.202 50 0 FEAALP CCn1cc[nH+]c1CN1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071524279 541767501 /nfs/dbraw/zinc/76/75/01/541767501.db2.gz IZQGUGHBYBTTPE-SFHVURJKSA-N 2 2 373.545 2.202 50 0 FEAALP Cc1noc(C)c1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071777132 541772165 /nfs/dbraw/zinc/77/21/65/541772165.db2.gz GRLCKSAFNGDZLT-INIZCTEOSA-N 2 2 360.502 2.246 50 0 FEAALP Cc1noc(C)c1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071777132 541772167 /nfs/dbraw/zinc/77/21/67/541772167.db2.gz GRLCKSAFNGDZLT-INIZCTEOSA-N 2 2 360.502 2.246 50 0 FEAALP Nc1nc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc[nH+]1 ZINC000072126386 541784307 /nfs/dbraw/zinc/78/43/07/541784307.db2.gz SGCKXHHQIAHYPY-KBAYOESNSA-N 2 2 357.408 2.404 50 0 FEAALP O=C1NC[C@@]2(CCC[N@H+](Cc3ccccc3OCCn3cc[nH+]c3)CC2)O1 ZINC000072140295 541786435 /nfs/dbraw/zinc/78/64/35/541786435.db2.gz FSZCDPZUPDZKND-FQEVSTJZSA-N 2 2 370.453 2.427 50 0 FEAALP O=C1NC[C@@]2(CCC[N@@H+](Cc3ccccc3OCCn3cc[nH+]c3)CC2)O1 ZINC000072140295 541786439 /nfs/dbraw/zinc/78/64/39/541786439.db2.gz FSZCDPZUPDZKND-FQEVSTJZSA-N 2 2 370.453 2.427 50 0 FEAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072149819 541789092 /nfs/dbraw/zinc/78/90/92/541789092.db2.gz HAOWTXOJULYFMC-GOSISDBHSA-N 2 2 354.454 2.138 50 0 FEAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000072149819 541789094 /nfs/dbraw/zinc/78/90/94/541789094.db2.gz HAOWTXOJULYFMC-GOSISDBHSA-N 2 2 354.454 2.138 50 0 FEAALP Nc1nc(NCc2cc(-c3cccc(F)c3)no2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072427794 541810788 /nfs/dbraw/zinc/81/07/88/541810788.db2.gz JZWKQBFMFHCJFW-UHFFFAOYSA-N 2 2 354.389 2.153 50 0 FEAALP Cc1c(C)n(CCC[NH+](C)C)c2nc[nH+]c(NCCC[NH+]3CCOCC3)c12 ZINC000005346078 207094154 /nfs/dbraw/zinc/09/41/54/207094154.db2.gz KNDMHSYVRYKGEG-UHFFFAOYSA-N 3 2 374.533 2.134 50 0 FEAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2cnc(-c3ccccc3OC)nc2)C[C@@H]1CO ZINC000092046412 209015156 /nfs/dbraw/zinc/01/51/56/209015156.db2.gz RAJFORGFZAZTBS-QZTJIDSGSA-N 2 2 370.497 2.144 50 0 FEAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2cnc(-c3ccccc3OC)nc2)C[C@@H]1CO ZINC000092046412 209015158 /nfs/dbraw/zinc/01/51/58/209015158.db2.gz RAJFORGFZAZTBS-QZTJIDSGSA-N 2 2 370.497 2.144 50 0 FEAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3OC)nc2)C[C@@H]1CO ZINC000092046412 209015160 /nfs/dbraw/zinc/01/51/60/209015160.db2.gz RAJFORGFZAZTBS-QZTJIDSGSA-N 2 2 370.497 2.144 50 0 FEAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3OC)nc2)C[C@@H]1CO ZINC000092046412 209015162 /nfs/dbraw/zinc/01/51/62/209015162.db2.gz RAJFORGFZAZTBS-QZTJIDSGSA-N 2 2 370.497 2.144 50 0 FEAALP Cn1c(C[N@@H+]2CCc3ccccc3C2)cc(=O)c(O)c1C[NH+]1CCCC1 ZINC000095477368 209058703 /nfs/dbraw/zinc/05/87/03/209058703.db2.gz PIHOFIOCACBHIA-UHFFFAOYSA-N 2 2 353.466 2.245 50 0 FEAALP Cn1c(C[N@H+]2CCc3ccccc3C2)cc(=O)c(O)c1C[NH+]1CCCC1 ZINC000095477368 209058707 /nfs/dbraw/zinc/05/87/07/209058707.db2.gz PIHOFIOCACBHIA-UHFFFAOYSA-N 2 2 353.466 2.245 50 0 FEAALP COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000095497542 209060488 /nfs/dbraw/zinc/06/04/88/209060488.db2.gz JPXXYISOJGKUKQ-GOSISDBHSA-N 2 2 370.497 2.374 50 0 FEAALP COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000095497542 209060491 /nfs/dbraw/zinc/06/04/91/209060491.db2.gz JPXXYISOJGKUKQ-GOSISDBHSA-N 2 2 370.497 2.374 50 0 FEAALP c1cn(C[C@@H]2CCCN(c3nc(C4CC4)nc4c3CC[NH2+]CC4)C2)c[nH+]1 ZINC000072408293 136145169 /nfs/dbraw/zinc/14/51/69/136145169.db2.gz SPRWNMPYQNAABK-HNNXBMFYSA-N 2 2 352.486 2.155 50 0 FEAALP COc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000091426806 524448260 /nfs/dbraw/zinc/44/82/60/524448260.db2.gz ATJRWSKRBQHKFG-QGZVFWFLSA-N 2 2 366.469 2.448 50 0 FEAALP COc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000091426806 524448270 /nfs/dbraw/zinc/44/82/70/524448270.db2.gz ATJRWSKRBQHKFG-QGZVFWFLSA-N 2 2 366.469 2.448 50 0 FEAALP NC(=O)COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000216483624 526892907 /nfs/dbraw/zinc/89/29/07/526892907.db2.gz JTSCXMIJSWOWIM-AWEZNQCLSA-N 2 2 362.861 2.313 50 0 FEAALP NC(=O)COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000216483624 526892909 /nfs/dbraw/zinc/89/29/09/526892909.db2.gz JTSCXMIJSWOWIM-AWEZNQCLSA-N 2 2 362.861 2.313 50 0 FEAALP O=C1CCC2(CC[NH+](CCCn3cc[nH+]c3)CC2)CN1[C@H]1CC[C@H](O)CC1 ZINC000243893437 526964906 /nfs/dbraw/zinc/96/49/06/526964906.db2.gz AREHKXCAYDSNOU-WGSAOQKQSA-N 2 2 374.529 2.281 50 0 FEAALP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000246289065 549096856 /nfs/dbraw/zinc/09/68/56/549096856.db2.gz CFWUIOFAGVXHEG-UXPWSPDFSA-N 2 2 359.514 2.029 50 0 FEAALP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000246289065 549096862 /nfs/dbraw/zinc/09/68/62/549096862.db2.gz CFWUIOFAGVXHEG-UXPWSPDFSA-N 2 2 359.514 2.029 50 0 FEAALP COCC[N@@H+]1CC[C@H](C(=O)NCCCc2[nH]c3ccc(C)c(C)c3[nH+]2)C1 ZINC000252508488 549670732 /nfs/dbraw/zinc/67/07/32/549670732.db2.gz XOCJSNYLBLEFPM-INIZCTEOSA-N 2 2 358.486 2.197 50 0 FEAALP COCC[N@H+]1CC[C@H](C(=O)NCCCc2[nH]c3ccc(C)c(C)c3[nH+]2)C1 ZINC000252508488 549670736 /nfs/dbraw/zinc/67/07/36/549670736.db2.gz XOCJSNYLBLEFPM-INIZCTEOSA-N 2 2 358.486 2.197 50 0 FEAALP O=C(CC[NH+]1CCOCC1)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299759920 553610896 /nfs/dbraw/zinc/61/08/96/553610896.db2.gz PCFAODBCIWJOKS-SFHVURJKSA-N 2 2 365.905 2.315 50 0 FEAALP Cn1cc[nH+]c1-c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000426677915 559740207 /nfs/dbraw/zinc/74/02/07/559740207.db2.gz YECJDOUVJRQLRY-LJQANCHMSA-N 2 2 368.481 2.460 50 0 FEAALP Cn1cc[nH+]c1[C@@H]1N(C(=O)c2c[nH]c(C3CC[NH+](C)CC3)n2)CC1(C)C ZINC000685942766 571103619 /nfs/dbraw/zinc/10/36/19/571103619.db2.gz VMJPKDWPLOUVMX-HNNXBMFYSA-N 2 2 356.474 2.176 50 0 FEAALP Cn1cc[nH+]c1[C@H]1N(C(=O)c2c[nH]c(C3CC[NH+](C)CC3)n2)CC1(C)C ZINC000685942770 571103688 /nfs/dbraw/zinc/10/36/88/571103688.db2.gz VMJPKDWPLOUVMX-OAHLLOKOSA-N 2 2 356.474 2.176 50 0 FEAALP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000046281989 540251294 /nfs/dbraw/zinc/25/12/94/540251294.db2.gz INBXMAXMMVMZPF-UHFFFAOYSA-N 2 2 368.481 2.165 50 0 FEAALP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000046281989 540251295 /nfs/dbraw/zinc/25/12/95/540251295.db2.gz INBXMAXMMVMZPF-UHFFFAOYSA-N 2 2 368.481 2.165 50 0 FEAALP CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]CCC[NH+](C)C)CCCC2 ZINC000003164079 209398946 /nfs/dbraw/zinc/39/89/46/209398946.db2.gz CVUUZOKKLBZVBM-UHFFFAOYSA-N 2 2 367.515 2.283 50 0 FEAALP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000058108434 540829242 /nfs/dbraw/zinc/82/92/42/540829242.db2.gz JTQHDTLCGPXOBN-MOPGFXCFSA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000058108434 540829245 /nfs/dbraw/zinc/82/92/45/540829245.db2.gz JTQHDTLCGPXOBN-MOPGFXCFSA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[NH+]1CCC[C@H]1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058108434 540829248 /nfs/dbraw/zinc/82/92/48/540829248.db2.gz JTQHDTLCGPXOBN-MOPGFXCFSA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[NH+]1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058108434 540829251 /nfs/dbraw/zinc/82/92/51/540829251.db2.gz JTQHDTLCGPXOBN-MOPGFXCFSA-N 2 2 372.513 2.209 50 0 FEAALP COc1ccc(C(=O)NCCNc2cc(-n3cc[nH+]c3C)nc(C)[nH+]2)cc1 ZINC000067613260 541490208 /nfs/dbraw/zinc/49/02/08/541490208.db2.gz UQCXWPDCYXYXSB-UHFFFAOYSA-N 2 2 366.425 2.130 50 0 FEAALP Cc1c(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cnn1C ZINC000071759876 541771231 /nfs/dbraw/zinc/77/12/31/541771231.db2.gz YEELDAIZOBRHHG-GOSISDBHSA-N 2 2 373.545 2.027 50 0 FEAALP Cc1c(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cnn1C ZINC000071759876 541771236 /nfs/dbraw/zinc/77/12/36/541771236.db2.gz YEELDAIZOBRHHG-GOSISDBHSA-N 2 2 373.545 2.027 50 0 FEAALP O=C(c1ccccc1[C@H]1CC[NH2+]C1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000072169257 541795045 /nfs/dbraw/zinc/79/50/45/541795045.db2.gz DSVWAEYBKIMFSL-IBGZPJMESA-N 2 2 364.493 2.159 50 0 FEAALP Cc1c(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cnn1C ZINC000072481236 541822618 /nfs/dbraw/zinc/82/26/18/541822618.db2.gz SJAWAHCNNNGUFH-QGZVFWFLSA-N 2 2 371.533 2.223 50 0 FEAALP Cc1c(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cnn1C ZINC000072481236 541822621 /nfs/dbraw/zinc/82/26/21/541822621.db2.gz SJAWAHCNNNGUFH-QGZVFWFLSA-N 2 2 371.533 2.223 50 0 FEAALP C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000072477053 541819544 /nfs/dbraw/zinc/81/95/44/541819544.db2.gz PQRBRSRQWWQJIN-NRFANRHFSA-N 3 2 361.530 2.050 50 0 FEAALP C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000072477053 541819546 /nfs/dbraw/zinc/81/95/46/541819546.db2.gz PQRBRSRQWWQJIN-NRFANRHFSA-N 3 2 361.530 2.050 50 0 FEAALP Cc1cc(N2CCCN(c3cc(N4CCCC4)[nH+]c(N)n3)CC2)cc[nH+]1 ZINC000096141262 209120900 /nfs/dbraw/zinc/12/09/00/209120900.db2.gz NMXRRDYHKQTBHG-UHFFFAOYSA-N 2 2 353.474 2.079 50 0 FEAALP Cc1cc(N2CCCN(c3cc(N4CCCC4)nc(N)[nH+]3)CC2)cc[nH+]1 ZINC000096141262 209120903 /nfs/dbraw/zinc/12/09/03/209120903.db2.gz NMXRRDYHKQTBHG-UHFFFAOYSA-N 2 2 353.474 2.079 50 0 FEAALP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(Br)cc2)CC1 ZINC000075093840 542150989 /nfs/dbraw/zinc/15/09/89/542150989.db2.gz WUEPNGTYFXGMNM-UHFFFAOYSA-N 2 2 368.319 2.134 50 0 FEAALP C[NH+](C)[C@@H](C(=O)NC1(C[NH+]2CCOCC2)CCCC1)c1ccc(F)cc1 ZINC000095364590 209031564 /nfs/dbraw/zinc/03/15/64/209031564.db2.gz DOQRXQOCDSSKQX-GOSISDBHSA-N 2 2 363.477 2.190 50 0 FEAALP O=C(CCC[NH+]1CCOCC1)N1CCC[C@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095500706 209061310 /nfs/dbraw/zinc/06/13/10/209061310.db2.gz WQMQZNCXTWSNJX-SFHVURJKSA-N 2 2 360.502 2.112 50 0 FEAALP Cc1[nH+]ccn1CCC1CCN(c2cc([C@H]3C[C@H]([NH3+])C3)[nH+]c(N)n2)CC1 ZINC000223705394 132280035 /nfs/dbraw/zinc/28/00/35/132280035.db2.gz ZUMJEGNBNIUEPE-IYBDPMFKSA-N 3 2 355.490 2.075 50 0 FEAALP Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000055060726 136125895 /nfs/dbraw/zinc/12/58/95/136125895.db2.gz RGSWXCGIULFGMQ-LJQANCHMSA-N 2 2 367.497 2.005 50 0 FEAALP CNc1nc(N2CC[N@H+](Cc3ccsc3)[C@H](CCO)C2)[nH+]c2c1CCC2 ZINC000072424875 136146417 /nfs/dbraw/zinc/14/64/17/136146417.db2.gz HJEGOKHGHNGSCD-OAHLLOKOSA-N 2 2 373.526 2.142 50 0 FEAALP CNc1nc(N2CC[N@@H+](Cc3ccsc3)[C@H](CCO)C2)[nH+]c2c1CCC2 ZINC000072424875 136146418 /nfs/dbraw/zinc/14/64/18/136146418.db2.gz HJEGOKHGHNGSCD-OAHLLOKOSA-N 2 2 373.526 2.142 50 0 FEAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(OC)c2OC)nc[nH+]1 ZINC000109069813 543313166 /nfs/dbraw/zinc/31/31/66/543313166.db2.gz QIRQIBFGBJHDME-HNNXBMFYSA-N 2 2 357.458 2.294 50 0 FEAALP Nc1cccc(-c2cccc(C(=O)NC[C@@H](O)C[NH+]3CCCCCC3)c2)[nH+]1 ZINC000426503096 263609990 /nfs/dbraw/zinc/60/99/90/263609990.db2.gz GMRBLPMLTKGIOF-GOSISDBHSA-N 2 2 368.481 2.298 50 0 FEAALP O=C(C[NH+]1CCCC1)N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091625535 526732392 /nfs/dbraw/zinc/73/23/92/526732392.db2.gz HHWKSIAYOCPJKS-UHFFFAOYSA-N 2 2 353.470 2.128 50 0 FEAALP CCc1c(C)[nH+]c(C)nc1N1CCC[C@@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072425819 536069691 /nfs/dbraw/zinc/06/96/91/536069691.db2.gz SJHSTVWZPFIREA-NRFANRHFSA-N 2 2 373.545 2.426 50 0 FEAALP CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C[NH+]3CCN(C)CC3)c(C)cc2C)C1 ZINC000216062956 548676412 /nfs/dbraw/zinc/67/64/12/548676412.db2.gz WDMVDXOCIZUCLI-JOCHJYFZSA-N 2 2 372.557 2.151 50 0 FEAALP CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C[NH+]3CCN(C)CC3)c(C)cc2C)C1 ZINC000216062956 548676414 /nfs/dbraw/zinc/67/64/14/548676414.db2.gz WDMVDXOCIZUCLI-JOCHJYFZSA-N 2 2 372.557 2.151 50 0 FEAALP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000221739547 548706086 /nfs/dbraw/zinc/70/60/86/548706086.db2.gz UNXAYSLWNXFQQD-OLZOCXBDSA-N 2 2 359.396 2.214 50 0 FEAALP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000221739547 548706090 /nfs/dbraw/zinc/70/60/90/548706090.db2.gz UNXAYSLWNXFQQD-OLZOCXBDSA-N 2 2 359.396 2.214 50 0 FEAALP CN(CC[NH+]1CCO[C@H]2CCCC[C@H]21)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000252512066 549672322 /nfs/dbraw/zinc/67/23/22/549672322.db2.gz MARNIHIDPVBCJS-UJOPUZHASA-N 2 2 365.562 2.205 50 0 FEAALP CN(CC[NH+]1CCO[C@H]2CCCC[C@H]21)CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000252512066 549672327 /nfs/dbraw/zinc/67/23/27/549672327.db2.gz MARNIHIDPVBCJS-UJOPUZHASA-N 2 2 365.562 2.205 50 0 FEAALP CN(CC[NH+]1CCO[C@@H]2CCCC[C@@H]21)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000252512066 549672330 /nfs/dbraw/zinc/67/23/30/549672330.db2.gz MARNIHIDPVBCJS-UJOPUZHASA-N 2 2 365.562 2.205 50 0 FEAALP CN(CC[NH+]1CCO[C@@H]2CCCC[C@@H]21)CC[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000252512066 549672334 /nfs/dbraw/zinc/67/23/34/549672334.db2.gz MARNIHIDPVBCJS-UJOPUZHASA-N 2 2 365.562 2.205 50 0 FEAALP CCC[C@H](NC(=O)c1ccc(NC(=O)C[NH+](C)C)cc1)c1[nH+]ccn1C ZINC000299758465 553611276 /nfs/dbraw/zinc/61/12/76/553611276.db2.gz NHTZGTCHYUZRBM-INIZCTEOSA-N 2 2 357.458 2.191 50 0 FEAALP Cc1ccccc1[C@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1ccncc1 ZINC000299767042 553612650 /nfs/dbraw/zinc/61/26/50/553612650.db2.gz BFUGIJASKWAGJT-OAQYLSRUSA-N 2 2 352.482 2.279 50 0 FEAALP Cc1ccccc1[C@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1ccncc1 ZINC000299767042 553612652 /nfs/dbraw/zinc/61/26/52/553612652.db2.gz BFUGIJASKWAGJT-OAQYLSRUSA-N 2 2 352.482 2.279 50 0 FEAALP Cc1ccc([C@H](NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c2ccncc2)cc1 ZINC000299781907 553613941 /nfs/dbraw/zinc/61/39/41/553613941.db2.gz FGDKHMWVJNVBEG-NRFANRHFSA-N 2 2 352.482 2.279 50 0 FEAALP Cc1ccc([C@H](NC(=O)C[N@H+](C)C2CC[NH2+]CC2)c2ccncc2)cc1 ZINC000299781907 553613944 /nfs/dbraw/zinc/61/39/44/553613944.db2.gz FGDKHMWVJNVBEG-NRFANRHFSA-N 2 2 352.482 2.279 50 0 FEAALP Cc1ccccc1C[NH+]1CCN(C(=O)CC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000299779705 553614022 /nfs/dbraw/zinc/61/40/22/553614022.db2.gz RLPARHKFEOGOPT-IBGZPJMESA-N 2 2 359.514 2.140 50 0 FEAALP CO[C@]12CC[N@H+](CCc3[nH+]ccn3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299783009 553614385 /nfs/dbraw/zinc/61/43/85/553614385.db2.gz WJZJSICKINWOHM-ABSDTBQOSA-N 2 2 356.470 2.449 50 0 FEAALP CO[C@]12CC[N@@H+](CCc3[nH+]ccn3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299783009 553614389 /nfs/dbraw/zinc/61/43/89/553614389.db2.gz WJZJSICKINWOHM-ABSDTBQOSA-N 2 2 356.470 2.449 50 0 FEAALP CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000299793496 553615221 /nfs/dbraw/zinc/61/52/21/553615221.db2.gz HVWPUNTUBMLCGS-GOSISDBHSA-N 2 2 361.486 2.339 50 0 FEAALP Cc1c(C)n(-c2cc[nH+]cc2)c2ncnc(NCC[NH+]3CCOCC3)c12 ZINC000020547183 539675965 /nfs/dbraw/zinc/67/59/65/539675965.db2.gz JYUZOBRQCSHQHY-UHFFFAOYSA-N 2 2 352.442 2.176 50 0 FEAALP Nc1cc(N2CC[NH+](Cc3ccc4cccc(Cl)c4n3)CC2)nc(N)[nH+]1 ZINC000065406500 541236340 /nfs/dbraw/zinc/23/63/40/541236340.db2.gz CEQLCVWBOBKFBG-UHFFFAOYSA-N 2 2 369.860 2.165 50 0 FEAALP Cc1cccc(C[NH+]2CCN(C(=O)CC3=CSC4=[NH+]CCN34)CC2)c1 ZINC000101921774 209230766 /nfs/dbraw/zinc/23/07/66/209230766.db2.gz DPRCCTYUHHABRH-UHFFFAOYSA-N 2 2 356.495 2.289 50 0 FEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)[nH+]cn1 ZINC000067621056 541491597 /nfs/dbraw/zinc/49/15/97/541491597.db2.gz ZUHYOVLOPSATMR-UHFFFAOYSA-N 2 2 366.400 2.072 50 0 FEAALP C[N@H+](Cc1cc(C(=O)NC[C@@]2(C)CC[NH+](C)C2)no1)Cc1ccccc1 ZINC000067846643 541519765 /nfs/dbraw/zinc/51/97/65/541519765.db2.gz DIWWEPNLBMQITF-HXUWFJFHSA-N 2 2 356.470 2.378 50 0 FEAALP C[N@@H+](Cc1cc(C(=O)NC[C@@]2(C)CC[NH+](C)C2)no1)Cc1ccccc1 ZINC000067846643 541519768 /nfs/dbraw/zinc/51/97/68/541519768.db2.gz DIWWEPNLBMQITF-HXUWFJFHSA-N 2 2 356.470 2.378 50 0 FEAALP C[NH+](Cc1cc(C(=O)NC[C@@]2(C)CC[N@H+](C)C2)no1)Cc1ccccc1 ZINC000067846643 541519772 /nfs/dbraw/zinc/51/97/72/541519772.db2.gz DIWWEPNLBMQITF-HXUWFJFHSA-N 2 2 356.470 2.378 50 0 FEAALP C[NH+](Cc1cc(C(=O)NC[C@@]2(C)CC[N@@H+](C)C2)no1)Cc1ccccc1 ZINC000067846643 541519776 /nfs/dbraw/zinc/51/97/76/541519776.db2.gz DIWWEPNLBMQITF-HXUWFJFHSA-N 2 2 356.470 2.378 50 0 FEAALP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)cc1CO ZINC000067872925 541523122 /nfs/dbraw/zinc/52/31/22/541523122.db2.gz OAHWRKPFARJUPA-WOJBJXKFSA-N 2 2 362.514 2.389 50 0 FEAALP CCOc1ccc(C[N@H+]2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)cc1CO ZINC000067872925 541523127 /nfs/dbraw/zinc/52/31/27/541523127.db2.gz OAHWRKPFARJUPA-WOJBJXKFSA-N 2 2 362.514 2.389 50 0 FEAALP COc1cc[nH+]c(CN2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071707912 541768781 /nfs/dbraw/zinc/76/87/81/541768781.db2.gz PHRDYARHYXYIHZ-INIZCTEOSA-N 2 2 372.513 2.045 50 0 FEAALP COc1cc[nH+]c(CN2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071707912 541768783 /nfs/dbraw/zinc/76/87/83/541768783.db2.gz PHRDYARHYXYIHZ-INIZCTEOSA-N 2 2 372.513 2.045 50 0 FEAALP Cc1nn(C)cc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071775886 541771808 /nfs/dbraw/zinc/77/18/08/541771808.db2.gz CGEAMTYZESXASW-SFHVURJKSA-N 2 2 373.545 2.027 50 0 FEAALP Cc1nn(C)cc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071775886 541771811 /nfs/dbraw/zinc/77/18/11/541771811.db2.gz CGEAMTYZESXASW-SFHVURJKSA-N 2 2 373.545 2.027 50 0 FEAALP C[N@H+](Cc1cc2n(n1)CCC[NH+](C1CCOCC1)C2)Cc1cccnc1 ZINC000072169473 541795249 /nfs/dbraw/zinc/79/52/49/541795249.db2.gz MOLDLWAEVAALGO-UHFFFAOYSA-N 2 2 355.486 2.295 50 0 FEAALP C[N@@H+](Cc1cc2n(n1)CCC[NH+](C1CCOCC1)C2)Cc1cccnc1 ZINC000072169473 541795252 /nfs/dbraw/zinc/79/52/52/541795252.db2.gz MOLDLWAEVAALGO-UHFFFAOYSA-N 2 2 355.486 2.295 50 0 FEAALP C[NH+](Cc1cc2n(n1)CCC[N@@H+](C1CCOCC1)C2)Cc1cccnc1 ZINC000072169473 541795256 /nfs/dbraw/zinc/79/52/56/541795256.db2.gz MOLDLWAEVAALGO-UHFFFAOYSA-N 2 2 355.486 2.295 50 0 FEAALP C[NH+](Cc1cc2n(n1)CCC[N@H+](C1CCOCC1)C2)Cc1cccnc1 ZINC000072169473 541795260 /nfs/dbraw/zinc/79/52/60/541795260.db2.gz MOLDLWAEVAALGO-UHFFFAOYSA-N 2 2 355.486 2.295 50 0 FEAALP Cc1nc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)co1 ZINC000072437908 541813971 /nfs/dbraw/zinc/81/39/71/541813971.db2.gz YKRSIQGKYHOGIX-INIZCTEOSA-N 2 2 358.490 2.477 50 0 FEAALP Cc1nc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)co1 ZINC000072437908 541813975 /nfs/dbraw/zinc/81/39/75/541813975.db2.gz YKRSIQGKYHOGIX-INIZCTEOSA-N 2 2 358.490 2.477 50 0 FEAALP Nc1nc(NCc2csc(-c3ccccc3)n2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072469543 541818346 /nfs/dbraw/zinc/81/83/46/541818346.db2.gz MOXZBWHWNGLIEG-UHFFFAOYSA-N 2 2 352.467 2.483 50 0 FEAALP O=C1NC[C@@]2(CCC[N@H+](Cc3ccc(OCCn4cc[nH+]c4)cc3)C2)O1 ZINC000072448457 541816094 /nfs/dbraw/zinc/81/60/94/541816094.db2.gz BGEYEXZJDZVMNH-LJQANCHMSA-N 2 2 356.426 2.037 50 0 FEAALP O=C1NC[C@@]2(CCC[N@@H+](Cc3ccc(OCCn4cc[nH+]c4)cc3)C2)O1 ZINC000072448457 541816097 /nfs/dbraw/zinc/81/60/97/541816097.db2.gz BGEYEXZJDZVMNH-LJQANCHMSA-N 2 2 356.426 2.037 50 0 FEAALP [NH2+]=c1n(CC[NH+]2CCOCC2)c2ccccc2n1C[C@@H](O)c1cccs1 ZINC000004663509 207035957 /nfs/dbraw/zinc/03/59/57/207035957.db2.gz BIAVGEKNBAOSSE-QGZVFWFLSA-N 2 2 372.494 2.050 50 0 FEAALP Cc1[nH+]cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccnc2)C3=O)n1C ZINC000012444466 207378524 /nfs/dbraw/zinc/37/85/24/207378524.db2.gz PNLGHZPIXQWZBQ-HXUWFJFHSA-N 2 2 353.470 2.138 50 0 FEAALP Cc1[nH+]cc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cccnc2)C3=O)n1C ZINC000012444466 207378529 /nfs/dbraw/zinc/37/85/29/207378529.db2.gz PNLGHZPIXQWZBQ-HXUWFJFHSA-N 2 2 353.470 2.138 50 0 FEAALP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](Cc3nccs3)CC2)n1C ZINC000091987193 209009686 /nfs/dbraw/zinc/00/96/86/209009686.db2.gz YIIOZEDNIHZKLR-UHFFFAOYSA-N 2 2 357.487 2.204 50 0 FEAALP Cc1ccc([C@@H](C(=O)NC2(C[NH+]3CCOCC3)CCCC2)[NH+](C)C)cc1 ZINC000092021836 209011695 /nfs/dbraw/zinc/01/16/95/209011695.db2.gz PEUNBNGIPCNZLJ-IBGZPJMESA-N 2 2 359.514 2.359 50 0 FEAALP CCCCc1nc(Cl)c(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])[nH]1 ZINC000092046373 209014727 /nfs/dbraw/zinc/01/47/27/209014727.db2.gz FHTPYCJXUYTILH-CABCVRRESA-N 2 2 370.925 2.096 50 0 FEAALP CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000095386006 209044841 /nfs/dbraw/zinc/04/48/41/209044841.db2.gz XTQZKVZGPCPZAO-SFHVURJKSA-N 2 2 361.534 2.027 50 0 FEAALP CCCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000095386006 209044845 /nfs/dbraw/zinc/04/48/45/209044845.db2.gz XTQZKVZGPCPZAO-SFHVURJKSA-N 2 2 361.534 2.027 50 0 FEAALP COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000095497541 209060571 /nfs/dbraw/zinc/06/05/71/209060571.db2.gz JPXXYISOJGKUKQ-SFHVURJKSA-N 2 2 370.497 2.374 50 0 FEAALP COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC000095497541 209060573 /nfs/dbraw/zinc/06/05/73/209060573.db2.gz JPXXYISOJGKUKQ-SFHVURJKSA-N 2 2 370.497 2.374 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1 ZINC000095499620 209060821 /nfs/dbraw/zinc/06/08/21/209060821.db2.gz WEVIINXDASAMPI-OAHLLOKOSA-N 2 2 359.449 2.389 50 0 FEAALP Cc1nc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)c(C)c(C)[nH+]1 ZINC000091548455 132202107 /nfs/dbraw/zinc/20/21/07/132202107.db2.gz HTYIJDGGSDRADK-NRFANRHFSA-N 2 2 371.529 2.315 50 0 FEAALP Cc1nc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)c(C)c(C)[nH+]1 ZINC000091548455 132202108 /nfs/dbraw/zinc/20/21/08/132202108.db2.gz HTYIJDGGSDRADK-NRFANRHFSA-N 2 2 371.529 2.315 50 0 FEAALP CCCc1cc(N2CCC([N@H+]3[C@@H]4CC[C@H]3CNC(=O)C4)CC2)nc(C)[nH+]1 ZINC000096159823 132221332 /nfs/dbraw/zinc/22/13/32/132221332.db2.gz GQYALHABXWTAJK-MSOLQXFVSA-N 2 2 357.502 2.059 50 0 FEAALP CCCc1cc(N2CCC([N@@H+]3[C@@H]4CC[C@H]3CNC(=O)C4)CC2)nc(C)[nH+]1 ZINC000096159823 132221334 /nfs/dbraw/zinc/22/13/34/132221334.db2.gz GQYALHABXWTAJK-MSOLQXFVSA-N 2 2 357.502 2.059 50 0 FEAALP CNc1cc[nH+]c(N2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)n1 ZINC000072433815 136147207 /nfs/dbraw/zinc/14/72/07/136147207.db2.gz NHHVCXVDSHOPNS-OAHLLOKOSA-N 2 2 370.505 2.017 50 0 FEAALP CCCOCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082161332 520253841 /nfs/dbraw/zinc/25/38/41/520253841.db2.gz NOXNMFZMEYJZBZ-GOSISDBHSA-N 2 2 351.535 2.212 50 0 FEAALP CCCOCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000082161332 520253848 /nfs/dbraw/zinc/25/38/48/520253848.db2.gz NOXNMFZMEYJZBZ-GOSISDBHSA-N 2 2 351.535 2.212 50 0 FEAALP COc1ccc([C@H]2CN(C(=O)CCc3cn4ccccc4[nH+]3)C[C@@H]2[NH3+])cc1 ZINC000091625849 525421034 /nfs/dbraw/zinc/42/10/34/525421034.db2.gz RTQYEPIEBSJZTG-MOPGFXCFSA-N 2 2 364.449 2.229 50 0 FEAALP Cc1cccn2c(CC(=O)N3CCCC[C@@H]3CC[NH+]3CCOCC3)c[nH+]c12 ZINC000091416706 525463332 /nfs/dbraw/zinc/46/33/32/525463332.db2.gz XNDNGQITGCISAQ-GOSISDBHSA-N 2 2 370.497 2.289 50 0 FEAALP Cc1ccccc1CN(C[C@@H]1CCCO1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000215648016 548673527 /nfs/dbraw/zinc/67/35/27/548673527.db2.gz PLYKVSXJDATMGD-FQEVSTJZSA-N 2 2 359.514 2.186 50 0 FEAALP Cc1ccccc1CN(C[C@@H]1CCCO1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000215648016 548673533 /nfs/dbraw/zinc/67/35/33/548673533.db2.gz PLYKVSXJDATMGD-FQEVSTJZSA-N 2 2 359.514 2.186 50 0 FEAALP Cc1ccc(NCCCNC(=O)[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)[nH+]c1 ZINC000218987149 548691991 /nfs/dbraw/zinc/69/19/91/548691991.db2.gz NQTCPKZOWAAGBL-IBGZPJMESA-N 2 2 370.453 2.340 50 0 FEAALP Cn1cnnc1C1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000252497541 549670088 /nfs/dbraw/zinc/67/00/88/549670088.db2.gz QKBXASIJJHDDKJ-FQEVSTJZSA-N 2 2 369.513 2.286 50 0 FEAALP Cn1cnnc1C1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000252497541 549670092 /nfs/dbraw/zinc/67/00/92/549670092.db2.gz QKBXASIJJHDDKJ-FQEVSTJZSA-N 2 2 369.513 2.286 50 0 FEAALP Cc1ccc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3)C2)c(OCCC[NH3+])c1 ZINC000299777928 553614026 /nfs/dbraw/zinc/61/40/26/553614026.db2.gz LXJOBCUUQPKPOL-KRWDZBQOSA-N 2 2 356.470 2.472 50 0 FEAALP Cc1[nH+]c2cc(CNC(=O)c3cc(F)ccc3OCC[NH3+])ccc2n1C ZINC000426534513 559737200 /nfs/dbraw/zinc/73/72/00/559737200.db2.gz UXETZDQMZZTPPO-UHFFFAOYSA-N 2 2 356.401 2.288 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CC([NH2+]C[C@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC000584887885 571314119 /nfs/dbraw/zinc/31/41/19/571314119.db2.gz IRPBCGUMOLNDGW-QGZVFWFLSA-N 2 2 365.543 2.078 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CC([NH2+]C[C@H]3CCC[N@H+](C(C)C)C3)C2)cc1 ZINC000584887885 571314120 /nfs/dbraw/zinc/31/41/20/571314120.db2.gz IRPBCGUMOLNDGW-QGZVFWFLSA-N 2 2 365.543 2.078 50 0 FEAALP CC(C)[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000012716009 539571286 /nfs/dbraw/zinc/57/12/86/539571286.db2.gz CINKTDOZVHODLX-LJQANCHMSA-N 3 2 364.578 2.172 50 0 FEAALP CC(C)[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000012716009 539571289 /nfs/dbraw/zinc/57/12/89/539571289.db2.gz CINKTDOZVHODLX-LJQANCHMSA-N 3 2 364.578 2.172 50 0 FEAALP COc1cccc(C[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000037170643 539996185 /nfs/dbraw/zinc/99/61/85/539996185.db2.gz FKQHAZXOJGHHMR-UHFFFAOYSA-N 2 2 368.481 2.261 50 0 FEAALP COc1cccc(C[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000037170643 539996187 /nfs/dbraw/zinc/99/61/87/539996187.db2.gz FKQHAZXOJGHHMR-UHFFFAOYSA-N 2 2 368.481 2.261 50 0 FEAALP CCc1[nH+]ccn1C[C@H](C)[N@@H+]1CCCn2nc(C(=O)N3CCCC3)cc2C1 ZINC000065422803 541237162 /nfs/dbraw/zinc/23/71/62/541237162.db2.gz MGDLVSLNCBWADX-INIZCTEOSA-N 2 2 370.501 2.172 50 0 FEAALP CCc1[nH+]ccn1C[C@H](C)[N@H+]1CCCn2nc(C(=O)N3CCCC3)cc2C1 ZINC000065422803 541237165 /nfs/dbraw/zinc/23/71/65/541237165.db2.gz MGDLVSLNCBWADX-INIZCTEOSA-N 2 2 370.501 2.172 50 0 FEAALP C[NH+]1CCC(Cc2noc(C3CC[NH+](C4CC[NH+](C)CC4)CC3)n2)CC1 ZINC000067460411 541466975 /nfs/dbraw/zinc/46/69/75/541466975.db2.gz BNFMZEAJJZSCAP-UHFFFAOYSA-N 3 2 361.534 2.228 50 0 FEAALP CC(C)n1c[nH+]cc1Cn1nc([C@@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000067714505 541504218 /nfs/dbraw/zinc/50/42/18/541504218.db2.gz NDELYLUDHWSMHV-MRXNPFEDSA-N 2 2 366.469 2.327 50 0 FEAALP CCC[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2c[nH+]cn2CC(C)C)C1=O ZINC000067841193 541519806 /nfs/dbraw/zinc/51/98/06/541519806.db2.gz GWBBXDCBRWOLGP-LJQANCHMSA-N 2 2 361.490 2.129 50 0 FEAALP O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000071748522 541769754 /nfs/dbraw/zinc/76/97/54/541769754.db2.gz UEZAXVZHLSLWMU-KRWDZBQOSA-N 2 2 356.514 2.079 50 0 FEAALP O=C(NC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000071748522 541769759 /nfs/dbraw/zinc/76/97/59/541769759.db2.gz UEZAXVZHLSLWMU-KRWDZBQOSA-N 2 2 356.514 2.079 50 0 FEAALP O=C(NCC(F)F)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071750220 541770535 /nfs/dbraw/zinc/77/05/35/541770535.db2.gz XWPQSJHTUZPFJM-MRXNPFEDSA-N 2 2 366.456 2.139 50 0 FEAALP O=C(NCC(F)F)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071750220 541770536 /nfs/dbraw/zinc/77/05/36/541770536.db2.gz XWPQSJHTUZPFJM-MRXNPFEDSA-N 2 2 366.456 2.139 50 0 FEAALP C[NH+](C)C[C@H]1COCC[N@H+](Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072163145 541793544 /nfs/dbraw/zinc/79/35/44/541793544.db2.gz IFVPJDYBMONNHX-QGZVFWFLSA-N 2 2 365.481 2.406 50 0 FEAALP C[NH+](C)C[C@H]1COCC[N@@H+](Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072163145 541793545 /nfs/dbraw/zinc/79/35/45/541793545.db2.gz IFVPJDYBMONNHX-QGZVFWFLSA-N 2 2 365.481 2.406 50 0 FEAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000077300099 542363289 /nfs/dbraw/zinc/36/32/89/542363289.db2.gz FBTBQLAABZKLIQ-IBGZPJMESA-N 2 2 354.454 2.199 50 0 FEAALP C[NH+]1CCC([NH+]2CCC(Oc3cccc(C(=O)N4CCCO4)c3)CC2)CC1 ZINC000039380044 208212224 /nfs/dbraw/zinc/21/22/24/208212224.db2.gz RTCKIFZEMDCKGG-UHFFFAOYSA-N 2 2 373.497 2.402 50 0 FEAALP Cn1ccnc1C[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2C2CC2)CC1 ZINC000077323492 542367575 /nfs/dbraw/zinc/36/75/75/542367575.db2.gz AGSOAAMGDJTGOM-UHFFFAOYSA-N 2 2 369.517 2.322 50 0 FEAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](CC2(C)CC[NH+](C)CC2)CC1 ZINC000077393147 542377915 /nfs/dbraw/zinc/37/79/15/542377915.db2.gz AKPUOFSJEYVOPZ-UHFFFAOYSA-N 3 2 362.566 2.271 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(CO)cc2)C1 ZINC000095499378 209061500 /nfs/dbraw/zinc/06/15/00/209061500.db2.gz BAENPHYPWFERAA-LJQANCHMSA-N 2 2 370.497 2.347 50 0 FEAALP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC000095432804 209049903 /nfs/dbraw/zinc/04/99/03/209049903.db2.gz YAZYADOJEYDAHD-UHFFFAOYSA-N 2 2 360.546 2.171 50 0 FEAALP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC000095432804 209049907 /nfs/dbraw/zinc/04/99/07/209049907.db2.gz YAZYADOJEYDAHD-UHFFFAOYSA-N 2 2 360.546 2.171 50 0 FEAALP C[NH+](C)C[C@]1(O)CCCN(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000095503763 209063993 /nfs/dbraw/zinc/06/39/93/209063993.db2.gz LDSANRGWBYADCR-IBGZPJMESA-N 2 2 357.458 2.183 50 0 FEAALP Cc1[nH+]ccn1Cc1nnc([C@H]2CCCN(c3cc[nH+]cc3F)C2)n1C ZINC000095355371 132207101 /nfs/dbraw/zinc/20/71/01/132207101.db2.gz HCQJAQDPGDYFJR-AWEZNQCLSA-N 2 2 355.421 2.286 50 0 FEAALP NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2cc(OCC3CC3)cc[nH+]2)CC1 ZINC000096006360 132217013 /nfs/dbraw/zinc/21/70/13/132217013.db2.gz OUFZSGRBANASQZ-HXUWFJFHSA-N 2 2 366.465 2.219 50 0 FEAALP Cc1ccc(CSc2nc(N3CC[N@@H+](C)[C@@H](CCO)C3)cc(N)[nH+]2)cc1 ZINC000108037543 132242462 /nfs/dbraw/zinc/24/24/62/132242462.db2.gz VRGPXOXRWHAVRX-INIZCTEOSA-N 2 2 373.526 2.162 50 0 FEAALP Cc1ccc(CSc2nc(N3CC[N@H+](C)[C@@H](CCO)C3)cc(N)[nH+]2)cc1 ZINC000108037543 132242468 /nfs/dbraw/zinc/24/24/68/132242468.db2.gz VRGPXOXRWHAVRX-INIZCTEOSA-N 2 2 373.526 2.162 50 0 FEAALP COc1cc(Cl)c(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000091616528 542816082 /nfs/dbraw/zinc/81/60/82/542816082.db2.gz HPWVHZBGFLQLCR-HZPDHXFCSA-N 2 2 368.905 2.493 50 0 FEAALP COc1cc(Cl)c(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000091616528 542816083 /nfs/dbraw/zinc/81/60/83/542816083.db2.gz HPWVHZBGFLQLCR-HZPDHXFCSA-N 2 2 368.905 2.493 50 0 FEAALP C[NH+]1CCC(N2CC[N@H+](C/C=C/c3ccc(F)cc3)C[C@H]2CCO)CC1 ZINC000107436129 543270969 /nfs/dbraw/zinc/27/09/69/543270969.db2.gz KXMBCOXCLOMYDM-GMKGHPLGSA-N 2 2 361.505 2.302 50 0 FEAALP C[NH+]1CCC(N2CC[N@@H+](C/C=C/c3ccc(F)cc3)C[C@H]2CCO)CC1 ZINC000107436129 543270971 /nfs/dbraw/zinc/27/09/71/543270971.db2.gz KXMBCOXCLOMYDM-GMKGHPLGSA-N 2 2 361.505 2.302 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCN(C/C=C/c3ccc(F)cc3)C[C@H]2CCO)CC1 ZINC000107436129 543270974 /nfs/dbraw/zinc/27/09/74/543270974.db2.gz KXMBCOXCLOMYDM-GMKGHPLGSA-N 2 2 361.505 2.302 50 0 FEAALP C[NH+]1CCC([N@H+]2CCN(C/C=C/c3ccc(F)cc3)C[C@H]2CCO)CC1 ZINC000107436129 543270975 /nfs/dbraw/zinc/27/09/75/543270975.db2.gz KXMBCOXCLOMYDM-GMKGHPLGSA-N 2 2 361.505 2.302 50 0 FEAALP CCCCn1cc[nH+]c1C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000091625513 521395108 /nfs/dbraw/zinc/39/51/08/521395108.db2.gz NTSBIGWKOGBQCJ-QGZVFWFLSA-N 2 2 362.518 2.358 50 0 FEAALP CC[NH+]1CCN(C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)CC1 ZINC000019835582 521671941 /nfs/dbraw/zinc/67/19/41/521671941.db2.gz OQOVZWWZYQBYGV-UHFFFAOYSA-N 2 2 355.486 2.339 50 0 FEAALP C[NH+](C)Cc1csc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000091548744 521939300 /nfs/dbraw/zinc/93/93/00/521939300.db2.gz QFMRWXSPVUAXLL-QZTJIDSGSA-N 3 2 351.560 2.336 50 0 FEAALP C[NH+](C)Cc1csc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000091548744 521939313 /nfs/dbraw/zinc/93/93/13/521939313.db2.gz QFMRWXSPVUAXLL-QZTJIDSGSA-N 3 2 351.560 2.336 50 0 FEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2nccn2C)CC1 ZINC000082161625 523189166 /nfs/dbraw/zinc/18/91/66/523189166.db2.gz HNXNJZCDDSYFTP-UHFFFAOYSA-N 2 2 357.506 2.007 50 0 FEAALP O=C1N[C@H]2CCC[C@@H]1C[N@H+](Cc1ccc(OCCn3cc[nH+]c3)cc1)C2 ZINC000215112505 548668514 /nfs/dbraw/zinc/66/85/14/548668514.db2.gz WBPQZNMGRNJUIU-MSOLQXFVSA-N 2 2 354.454 2.063 50 0 FEAALP O=C1N[C@H]2CCC[C@@H]1C[N@@H+](Cc1ccc(OCCn3cc[nH+]c3)cc1)C2 ZINC000215112505 548668518 /nfs/dbraw/zinc/66/85/18/548668518.db2.gz WBPQZNMGRNJUIU-MSOLQXFVSA-N 2 2 354.454 2.063 50 0 FEAALP CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000215645690 548672663 /nfs/dbraw/zinc/67/26/63/548672663.db2.gz VFZHWYRONOBDTQ-LJQANCHMSA-N 2 2 356.470 2.453 50 0 FEAALP CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000215645690 548672667 /nfs/dbraw/zinc/67/26/67/548672667.db2.gz VFZHWYRONOBDTQ-LJQANCHMSA-N 2 2 356.470 2.453 50 0 FEAALP CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000215645643 548673553 /nfs/dbraw/zinc/67/35/53/548673553.db2.gz VFZHWYRONOBDTQ-IBGZPJMESA-N 2 2 356.470 2.453 50 0 FEAALP CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000215645643 548673557 /nfs/dbraw/zinc/67/35/57/548673557.db2.gz VFZHWYRONOBDTQ-IBGZPJMESA-N 2 2 356.470 2.453 50 0 FEAALP COc1c(F)cccc1C[N@@H+]1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000218864752 548690017 /nfs/dbraw/zinc/69/00/17/548690017.db2.gz IACPOXMCVLBMLA-GOSISDBHSA-N 2 2 362.449 2.032 50 0 FEAALP COc1c(F)cccc1C[N@H+]1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000218864752 548690021 /nfs/dbraw/zinc/69/00/21/548690021.db2.gz IACPOXMCVLBMLA-GOSISDBHSA-N 2 2 362.449 2.032 50 0 FEAALP COc1cccc(N2CC[NH+](C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c1 ZINC000252510561 549671375 /nfs/dbraw/zinc/67/13/75/549671375.db2.gz ZNSBQXNPMGDSNE-NRFANRHFSA-N 2 2 359.514 2.461 50 0 FEAALP C[N@@H+]1CCN(C(=O)C[NH+]2CCOc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000299789410 553615320 /nfs/dbraw/zinc/61/53/20/553615320.db2.gz ZPZFINCKGALZNV-HXUWFJFHSA-N 2 2 365.477 2.396 50 0 FEAALP C[N@H+]1CCN(C(=O)C[NH+]2CCOc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000299789410 553615323 /nfs/dbraw/zinc/61/53/23/553615323.db2.gz ZPZFINCKGALZNV-HXUWFJFHSA-N 2 2 365.477 2.396 50 0 FEAALP C[NH+]1CCN(C(=O)C[N@@H+]2CCOc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000299789410 553615324 /nfs/dbraw/zinc/61/53/24/553615324.db2.gz ZPZFINCKGALZNV-HXUWFJFHSA-N 2 2 365.477 2.396 50 0 FEAALP C[NH+]1CCN(C(=O)C[N@H+]2CCOc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000299789410 553615327 /nfs/dbraw/zinc/61/53/27/553615327.db2.gz ZPZFINCKGALZNV-HXUWFJFHSA-N 2 2 365.477 2.396 50 0 FEAALP [NH3+]CCCOc1ccc(F)cc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000426737402 559741135 /nfs/dbraw/zinc/74/11/35/559741135.db2.gz MKVIHODWRAFGDD-UHFFFAOYSA-N 2 2 361.417 2.104 50 0 FEAALP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000216011983 568100581 /nfs/dbraw/zinc/10/05/81/568100581.db2.gz QZTDFZLZGOSUAU-JOCHJYFZSA-N 3 2 373.541 2.315 50 0 FEAALP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000216011983 568100582 /nfs/dbraw/zinc/10/05/82/568100582.db2.gz QZTDFZLZGOSUAU-JOCHJYFZSA-N 3 2 373.541 2.315 50 0 FEAALP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000216011983 568100583 /nfs/dbraw/zinc/10/05/83/568100583.db2.gz QZTDFZLZGOSUAU-JOCHJYFZSA-N 2 2 373.541 2.315 50 0 FEAALP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000216011983 568100584 /nfs/dbraw/zinc/10/05/84/568100584.db2.gz QZTDFZLZGOSUAU-JOCHJYFZSA-N 2 2 373.541 2.315 50 0 FEAALP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216011983 568100585 /nfs/dbraw/zinc/10/05/85/568100585.db2.gz QZTDFZLZGOSUAU-JOCHJYFZSA-N 2 2 373.541 2.315 50 0 FEAALP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216011983 568100586 /nfs/dbraw/zinc/10/05/86/568100586.db2.gz QZTDFZLZGOSUAU-JOCHJYFZSA-N 2 2 373.541 2.315 50 0 FEAALP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216011983 568100587 /nfs/dbraw/zinc/10/05/87/568100587.db2.gz QZTDFZLZGOSUAU-JOCHJYFZSA-N 2 2 373.541 2.315 50 0 FEAALP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216011983 568100588 /nfs/dbraw/zinc/10/05/88/568100588.db2.gz QZTDFZLZGOSUAU-JOCHJYFZSA-N 2 2 373.541 2.315 50 0 FEAALP CC(C)CNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccncc2)C1 ZINC000014540136 539603887 /nfs/dbraw/zinc/60/38/87/539603887.db2.gz BYTHFWJESRCLCJ-WOJBJXKFSA-N 2 2 358.530 2.388 50 0 FEAALP CC(C)CNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccncc2)C1 ZINC000014540136 539603893 /nfs/dbraw/zinc/60/38/93/539603893.db2.gz BYTHFWJESRCLCJ-WOJBJXKFSA-N 2 2 358.530 2.388 50 0 FEAALP CC[NH+]1CCC([NH2+][C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1 ZINC000014948080 539607652 /nfs/dbraw/zinc/60/76/52/539607652.db2.gz MOZGOJIQAKMVRV-IBGZPJMESA-N 2 2 373.545 2.137 50 0 FEAALP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000063847537 541188379 /nfs/dbraw/zinc/18/83/79/541188379.db2.gz HZIMAFWWNTYHDI-RBUKOAKNSA-N 3 2 362.562 2.057 50 0 FEAALP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000063847537 541188383 /nfs/dbraw/zinc/18/83/83/541188383.db2.gz HZIMAFWWNTYHDI-RBUKOAKNSA-N 3 2 362.562 2.057 50 0 FEAALP Cc1ccsc1[C@H](CNC(=O)c1cc2n(n1)CCC[N@H+](C)C2)[NH+](C)C ZINC000065370992 541235316 /nfs/dbraw/zinc/23/53/16/541235316.db2.gz MKFRCXZDINDYJS-INIZCTEOSA-N 2 2 361.515 2.121 50 0 FEAALP Cc1ccsc1[C@H](CNC(=O)c1cc2n(n1)CCC[N@@H+](C)C2)[NH+](C)C ZINC000065370992 541235322 /nfs/dbraw/zinc/23/53/22/541235322.db2.gz MKFRCXZDINDYJS-INIZCTEOSA-N 2 2 361.515 2.121 50 0 FEAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000067727346 541505828 /nfs/dbraw/zinc/50/58/28/541505828.db2.gz AKLIVWJHGOPUHH-QGZVFWFLSA-N 2 2 365.543 2.187 50 0 FEAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000067727346 541505831 /nfs/dbraw/zinc/50/58/31/541505831.db2.gz AKLIVWJHGOPUHH-QGZVFWFLSA-N 2 2 365.543 2.187 50 0 FEAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(c2n[nH]cc2-c2ccccc2)CC1 ZINC000067804721 541515239 /nfs/dbraw/zinc/51/52/39/541515239.db2.gz UFTCVPCQOGVDOJ-SFHVURJKSA-N 2 2 364.453 2.076 50 0 FEAALP COc1cc(NC(=O)N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)ccc1C ZINC000097551393 209185425 /nfs/dbraw/zinc/18/54/25/209185425.db2.gz GREWWWTZLIUCBP-KRWDZBQOSA-N 2 2 360.502 2.495 50 0 FEAALP COc1cc(NC(=O)N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)ccc1C ZINC000097551393 209185428 /nfs/dbraw/zinc/18/54/28/209185428.db2.gz GREWWWTZLIUCBP-KRWDZBQOSA-N 2 2 360.502 2.495 50 0 FEAALP Nc1nc(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc[nH+]1 ZINC000072162846 541792342 /nfs/dbraw/zinc/79/23/42/541792342.db2.gz SGCKXHHQIAHYPY-CGTJXYLNSA-N 2 2 357.408 2.404 50 0 FEAALP Nc1cc(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc[nH+]1 ZINC000072174089 541795475 /nfs/dbraw/zinc/79/54/75/541795475.db2.gz BRBAGIMRGQTRAN-UPRAQXHNSA-N 2 2 357.408 2.404 50 0 FEAALP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072463533 541817575 /nfs/dbraw/zinc/81/75/75/541817575.db2.gz HJXDWYBCTYVPOQ-NRFANRHFSA-N 2 2 365.481 2.285 50 0 FEAALP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072463533 541817581 /nfs/dbraw/zinc/81/75/81/541817581.db2.gz HJXDWYBCTYVPOQ-NRFANRHFSA-N 2 2 365.481 2.285 50 0 FEAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000072473601 541818339 /nfs/dbraw/zinc/81/83/39/541818339.db2.gz HXILXDMLHLPXRL-AWEZNQCLSA-N 2 2 371.514 2.261 50 0 FEAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000072473601 541818341 /nfs/dbraw/zinc/81/83/41/541818341.db2.gz HXILXDMLHLPXRL-AWEZNQCLSA-N 2 2 371.514 2.261 50 0 FEAALP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](Cc2[nH]cnc2C)CC1 ZINC000096141636 209120252 /nfs/dbraw/zinc/12/02/52/209120252.db2.gz VKSOPSKGVOYVSG-UHFFFAOYSA-N 2 2 368.489 2.262 50 0 FEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000096139491 209119951 /nfs/dbraw/zinc/11/99/51/209119951.db2.gz TWZCUXUBMQKNLL-INIZCTEOSA-N 2 2 365.905 2.171 50 0 FEAALP CN(CC[NH+]1CCO[C@@H]2CCCC[C@@H]21)CC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000095972761 209091409 /nfs/dbraw/zinc/09/14/09/209091409.db2.gz MARNIHIDPVBCJS-XSDIEEQYSA-N 2 2 365.562 2.205 50 0 FEAALP C[NH+](C)[C@@H](C(=O)N1CC[NH+](C2CCSCC2)CC1)c1ccc(F)cc1 ZINC000095358617 209026491 /nfs/dbraw/zinc/02/64/91/209026491.db2.gz UALXEKIKIFRKNI-GOSISDBHSA-N 2 2 365.518 2.468 50 0 FEAALP CN(CC[NH+]1CCO[C@@H]2CCCC[C@@H]21)CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000095972761 209091406 /nfs/dbraw/zinc/09/14/06/209091406.db2.gz MARNIHIDPVBCJS-XSDIEEQYSA-N 2 2 365.562 2.205 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cncc(F)c2)C1 ZINC000095499621 209061946 /nfs/dbraw/zinc/06/19/46/209061946.db2.gz WEVIINXDASAMPI-HNNXBMFYSA-N 2 2 359.449 2.389 50 0 FEAALP CN(CC[NH+]1CCO[C@H]2CCCC[C@@H]21)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000095972761 209091399 /nfs/dbraw/zinc/09/13/99/209091399.db2.gz MARNIHIDPVBCJS-XSDIEEQYSA-N 2 2 365.562 2.205 50 0 FEAALP CN(CC[NH+]1CCO[C@H]2CCCC[C@@H]21)CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000095972761 209091404 /nfs/dbraw/zinc/09/14/04/209091404.db2.gz MARNIHIDPVBCJS-XSDIEEQYSA-N 2 2 365.562 2.205 50 0 FEAALP Cc1cccc(N2CCN(C(=O)[C@H](c3cccc(F)c3)[NH+](C)C)CC2)[nH+]1 ZINC000095364010 132208205 /nfs/dbraw/zinc/20/82/05/132208205.db2.gz GJNQUUOUALOARC-IBGZPJMESA-N 2 2 356.445 2.481 50 0 FEAALP OCC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1F ZINC000106948244 132240994 /nfs/dbraw/zinc/24/09/94/132240994.db2.gz WXKBDNDRIYFRFZ-OAHLLOKOSA-N 2 2 355.417 2.170 50 0 FEAALP OCC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1F ZINC000106948244 132240995 /nfs/dbraw/zinc/24/09/95/132240995.db2.gz WXKBDNDRIYFRFZ-OAHLLOKOSA-N 2 2 355.417 2.170 50 0 FEAALP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2CCO)c(C)c1C ZINC000072470603 136148989 /nfs/dbraw/zinc/14/89/89/136148989.db2.gz HUWDPPUEOFPAKF-IBGZPJMESA-N 2 2 370.497 2.484 50 0 FEAALP COc1ccc(C[N@H+]2CCN(c3cc[nH+]c(C)n3)C[C@@H]2CCO)c(C)c1C ZINC000072470603 136148990 /nfs/dbraw/zinc/14/89/90/136148990.db2.gz HUWDPPUEOFPAKF-IBGZPJMESA-N 2 2 370.497 2.484 50 0 FEAALP C[NH+](C)Cc1cc(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)ccc1F ZINC000189022770 328124044 /nfs/dbraw/zinc/12/40/44/328124044.db2.gz PRJMFODMQRVMOR-LJQANCHMSA-N 2 2 363.477 2.147 50 0 FEAALP C[NH+](C)Cc1cc(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)ccc1F ZINC000189022770 328124045 /nfs/dbraw/zinc/12/40/45/328124045.db2.gz PRJMFODMQRVMOR-LJQANCHMSA-N 2 2 363.477 2.147 50 0 FEAALP CCCCn1cc[nH+]c1C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091625512 521394908 /nfs/dbraw/zinc/39/49/08/521394908.db2.gz NTSBIGWKOGBQCJ-KRWDZBQOSA-N 2 2 362.518 2.358 50 0 FEAALP Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)on1 ZINC000091680300 524678766 /nfs/dbraw/zinc/67/87/66/524678766.db2.gz ZGLAEOWKQOIRLE-UHFFFAOYSA-N 2 2 371.485 2.474 50 0 FEAALP Cc1cccc(OC2CCN(C(=O)C[N@@H+](C)C3CC[NH+](C)CC3)CC2)c1 ZINC000082098081 524710915 /nfs/dbraw/zinc/71/09/15/524710915.db2.gz JSZBJVBHZYPKLD-UHFFFAOYSA-N 2 2 359.514 2.391 50 0 FEAALP Cc1cccc(OC2CCN(C(=O)C[N@H+](C)C3CC[NH+](C)CC3)CC2)c1 ZINC000082098081 524710924 /nfs/dbraw/zinc/71/09/24/524710924.db2.gz JSZBJVBHZYPKLD-UHFFFAOYSA-N 2 2 359.514 2.391 50 0 FEAALP CC(C)[NH+]1CCC([N@@H+]2CCN(c3cc(C4CC4)ncn3)C[C@H]2CCO)CC1 ZINC000106996524 535156824 /nfs/dbraw/zinc/15/68/24/535156824.db2.gz HDDPFPCYTNKMCN-LJQANCHMSA-N 2 2 373.545 2.100 50 0 FEAALP CC(C)[NH+]1CCC([N@H+]2CCN(c3cc(C4CC4)ncn3)C[C@H]2CCO)CC1 ZINC000106996524 535156831 /nfs/dbraw/zinc/15/68/31/535156831.db2.gz HDDPFPCYTNKMCN-LJQANCHMSA-N 2 2 373.545 2.100 50 0 FEAALP CCn1ccc2c1cccc2C[NH+]1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000215805708 548675133 /nfs/dbraw/zinc/67/51/33/548675133.db2.gz QPGLIECROJZYST-UHFFFAOYSA-N 2 2 354.498 2.448 50 0 FEAALP Cn1c(C[NH+]2CCC(OCc3ccccc3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000220190144 548699112 /nfs/dbraw/zinc/69/91/12/548699112.db2.gz ZVHYOHWHIRKCRH-CALCHBBNSA-N 2 2 355.486 2.201 50 0 FEAALP O=C(CSCC[NH+]1CCCC1)N1CCCC[C@@H]1CCn1cc[nH+]c1 ZINC000222481943 548709268 /nfs/dbraw/zinc/70/92/68/548709268.db2.gz SBJLCFJNSQEQEA-QGZVFWFLSA-N 2 2 350.532 2.483 50 0 FEAALP CCc1nc(C)sc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C)CC1 ZINC000244852597 548896969 /nfs/dbraw/zinc/89/69/69/548896969.db2.gz UVKDYEMLLRBAIO-INIZCTEOSA-N 2 2 350.532 2.189 50 0 FEAALP CCc1nc(C)sc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C)CC1 ZINC000244852597 548896973 /nfs/dbraw/zinc/89/69/73/548896973.db2.gz UVKDYEMLLRBAIO-INIZCTEOSA-N 2 2 350.532 2.189 50 0 FEAALP Cn1ncc2c1nc(N[C@@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)[nH+]c2N ZINC000328807133 553825120 /nfs/dbraw/zinc/82/51/20/553825120.db2.gz NOMOOVUBLIEONZ-MRXNPFEDSA-N 2 2 365.485 2.658 50 0 FEAALP Cn1ncc2c1nc(N[C@@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)[nH+]c2N ZINC000328807133 553825123 /nfs/dbraw/zinc/82/51/23/553825123.db2.gz NOMOOVUBLIEONZ-MRXNPFEDSA-N 2 2 365.485 2.658 50 0 FEAALP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000426548370 559737513 /nfs/dbraw/zinc/73/75/13/559737513.db2.gz AXXLDQPQGLCDSW-ZGBFETHSSA-N 2 2 356.514 2.369 50 0 FEAALP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000426548370 559737514 /nfs/dbraw/zinc/73/75/14/559737514.db2.gz AXXLDQPQGLCDSW-ZGBFETHSSA-N 2 2 356.514 2.369 50 0 FEAALP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000584893407 571314931 /nfs/dbraw/zinc/31/49/31/571314931.db2.gz LTWSUNLNQZYXQY-IBGZPJMESA-N 2 2 374.529 2.395 50 0 FEAALP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000584893407 571314932 /nfs/dbraw/zinc/31/49/32/571314932.db2.gz LTWSUNLNQZYXQY-IBGZPJMESA-N 2 2 374.529 2.395 50 0 FEAALP CSCC[NH+]1CCC(NC(=O)N2CCC(Cn3cc[nH+]c3)CC2)CC1 ZINC000584900047 571316042 /nfs/dbraw/zinc/31/60/42/571316042.db2.gz UGYBIDVZBAPJSN-UHFFFAOYSA-N 2 2 365.547 2.132 50 0 FEAALP CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CC[NH+]1CCCCC1)C2 ZINC000020994104 539679286 /nfs/dbraw/zinc/67/92/86/539679286.db2.gz KTEHXCRGVCHYAZ-QGZVFWFLSA-N 2 2 373.545 2.072 50 0 FEAALP O=C(COc1ccccc1)N1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000055211543 540635680 /nfs/dbraw/zinc/63/56/80/540635680.db2.gz PUHCTTPHLBGVRM-PZJWPPBQSA-N 2 2 371.525 2.474 50 0 FEAALP O=C(COc1ccccc1)N1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000055211543 540635684 /nfs/dbraw/zinc/63/56/84/540635684.db2.gz PUHCTTPHLBGVRM-PZJWPPBQSA-N 2 2 371.525 2.474 50 0 FEAALP C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[C@@H](C)O1 ZINC000058210701 540834127 /nfs/dbraw/zinc/83/41/27/540834127.db2.gz QXBJAKQAYXHJHU-IAGOWNOFSA-N 2 2 371.485 2.171 50 0 FEAALP OC1CC[NH+](C2CC[NH+](Cc3cccc(Cn4cccn4)c3)CC2)CC1 ZINC000065529432 541244037 /nfs/dbraw/zinc/24/40/37/541244037.db2.gz JBMIRPJPZMVBBS-UHFFFAOYSA-N 2 2 354.498 2.353 50 0 FEAALP CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CCc3[nH]cc[nH+]3)C2=O)cc1 ZINC000067540357 541477190 /nfs/dbraw/zinc/47/71/90/541477190.db2.gz KJCJDIMRKYMUJH-NRFANRHFSA-N 2 2 370.497 2.219 50 0 FEAALP COc1cccc([C@@H]2CN(c3nc(N)cc[nH+]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072159335 541791614 /nfs/dbraw/zinc/79/16/14/541791614.db2.gz KGADMAPDGAZONO-QXAKKESOSA-N 2 2 351.454 2.134 50 0 FEAALP Cc1ncc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cn1 ZINC000072420406 541808983 /nfs/dbraw/zinc/80/89/83/541808983.db2.gz ARYXTPJNPWXAIN-SFHVURJKSA-N 2 2 369.517 2.279 50 0 FEAALP Cc1ncc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cn1 ZINC000072420406 541808984 /nfs/dbraw/zinc/80/89/84/541808984.db2.gz ARYXTPJNPWXAIN-SFHVURJKSA-N 2 2 369.517 2.279 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012588747 220010832 /nfs/dbraw/zinc/01/08/32/220010832.db2.gz GXZLMJMMRBOIQL-LJQANCHMSA-N 2 2 353.470 2.369 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012588747 220010835 /nfs/dbraw/zinc/01/08/35/220010835.db2.gz GXZLMJMMRBOIQL-LJQANCHMSA-N 2 2 353.470 2.369 50 0 FEAALP CCC[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000011768905 207321689 /nfs/dbraw/zinc/32/16/89/207321689.db2.gz FZWUSEVQZNHELB-LJQANCHMSA-N 3 2 364.578 2.173 50 0 FEAALP CCC[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000011768905 207321694 /nfs/dbraw/zinc/32/16/94/207321694.db2.gz FZWUSEVQZNHELB-LJQANCHMSA-N 3 2 364.578 2.173 50 0 FEAALP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000077323805 208199974 /nfs/dbraw/zinc/19/99/74/208199974.db2.gz WULTYWCMGYGGIF-LJQANCHMSA-N 2 2 355.507 2.497 50 0 FEAALP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000077323805 208199989 /nfs/dbraw/zinc/19/99/89/208199989.db2.gz WULTYWCMGYGGIF-LJQANCHMSA-N 2 2 355.507 2.497 50 0 FEAALP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000047617811 208382049 /nfs/dbraw/zinc/38/20/49/208382049.db2.gz WDPCAHZRSFPJLK-GOSISDBHSA-N 2 2 374.529 2.050 50 0 FEAALP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000047617811 208382054 /nfs/dbraw/zinc/38/20/54/208382054.db2.gz WDPCAHZRSFPJLK-GOSISDBHSA-N 2 2 374.529 2.050 50 0 FEAALP Cc1ccc([C@@H]2CN(C(=O)C[N@@H+](C)Cc3ccncc3)C[C@H]2[NH+](C)C)cc1 ZINC000077471809 542385621 /nfs/dbraw/zinc/38/56/21/542385621.db2.gz WMNPFZLTKNTFPH-LEWJYISDSA-N 2 2 366.509 2.378 50 0 FEAALP Cc1ccc([C@@H]2CN(C(=O)C[N@H+](C)Cc3ccncc3)C[C@H]2[NH+](C)C)cc1 ZINC000077471809 542385625 /nfs/dbraw/zinc/38/56/25/542385625.db2.gz WMNPFZLTKNTFPH-LEWJYISDSA-N 2 2 366.509 2.378 50 0 FEAALP CC[C@@]1(CO)CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000091849260 209001245 /nfs/dbraw/zinc/00/12/45/209001245.db2.gz QTUYVFNULKFBKZ-OAQYLSRUSA-N 2 2 362.514 2.382 50 0 FEAALP CC[C@@]1(CO)CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000091849260 209001248 /nfs/dbraw/zinc/00/12/48/209001248.db2.gz QTUYVFNULKFBKZ-OAQYLSRUSA-N 2 2 362.514 2.382 50 0 FEAALP O=C(Cc1c[nH+]c2ccccn12)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000091915421 209005579 /nfs/dbraw/zinc/00/55/79/209005579.db2.gz ILCBEMOWEUSVSJ-UHFFFAOYSA-N 2 2 364.449 2.100 50 0 FEAALP Cn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)CC1 ZINC000095496926 209060220 /nfs/dbraw/zinc/06/02/20/209060220.db2.gz YIZTZUVJXKHZGR-KRWDZBQOSA-N 2 2 360.502 2.017 50 0 FEAALP Cn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)CC1 ZINC000095496926 209060224 /nfs/dbraw/zinc/06/02/24/209060224.db2.gz YIZTZUVJXKHZGR-KRWDZBQOSA-N 2 2 360.502 2.017 50 0 FEAALP COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000095498821 209062285 /nfs/dbraw/zinc/06/22/85/209062285.db2.gz ZNJYTBKOADTAMS-KRWDZBQOSA-N 2 2 370.497 2.374 50 0 FEAALP COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000095498821 209062290 /nfs/dbraw/zinc/06/22/90/209062290.db2.gz ZNJYTBKOADTAMS-KRWDZBQOSA-N 2 2 370.497 2.374 50 0 FEAALP CSCCC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082127645 542685747 /nfs/dbraw/zinc/68/57/47/542685747.db2.gz BKBDYZCBQNGZMX-GOSISDBHSA-N 2 2 350.532 2.410 50 0 FEAALP CSCCC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082127645 542685752 /nfs/dbraw/zinc/68/57/52/542685752.db2.gz BKBDYZCBQNGZMX-GOSISDBHSA-N 2 2 350.532 2.410 50 0 FEAALP CSCCC[N@@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082127645 542685757 /nfs/dbraw/zinc/68/57/57/542685757.db2.gz BKBDYZCBQNGZMX-GOSISDBHSA-N 2 2 350.532 2.410 50 0 FEAALP CSCCC[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082127645 542685761 /nfs/dbraw/zinc/68/57/61/542685761.db2.gz BKBDYZCBQNGZMX-GOSISDBHSA-N 2 2 350.532 2.410 50 0 FEAALP CCCc1nc(N2CCC([N@@H+]3CC[C@@]4(CN(C)C(=O)O4)C3)CC2)cc(C)[nH+]1 ZINC000095499223 132212155 /nfs/dbraw/zinc/21/21/55/132212155.db2.gz UBBIOSHWFVZQSB-HXUWFJFHSA-N 2 2 373.501 2.233 50 0 FEAALP CCCc1nc(N2CCC([N@H+]3CC[C@@]4(CN(C)C(=O)O4)C3)CC2)cc(C)[nH+]1 ZINC000095499223 132212156 /nfs/dbraw/zinc/21/21/56/132212156.db2.gz UBBIOSHWFVZQSB-HXUWFJFHSA-N 2 2 373.501 2.233 50 0 FEAALP CCc1[nH+]ccn1CC[NH+]1CCN(c2nc(C)cc(C(F)(F)F)n2)CC1 ZINC000244734476 132290672 /nfs/dbraw/zinc/29/06/72/132290672.db2.gz NGFDECLQWGGXIC-UHFFFAOYSA-N 2 2 368.407 2.385 50 0 FEAALP CC[NH+]1CCC([NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)CC1 ZINC000091551363 542812483 /nfs/dbraw/zinc/81/24/83/542812483.db2.gz QAWFWZUTUMTATQ-UHFFFAOYSA-N 3 2 373.545 2.141 50 0 FEAALP CC[NH+]1CCC([NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)CC1 ZINC000091551363 542812485 /nfs/dbraw/zinc/81/24/85/542812485.db2.gz QAWFWZUTUMTATQ-UHFFFAOYSA-N 3 2 373.545 2.141 50 0 FEAALP CCN1CC[C@]2(CN(Cc3c[nH+]cn3CC(C)C)CC[N@@H+]2C)CCC1=O ZINC000091587457 542814408 /nfs/dbraw/zinc/81/44/08/542814408.db2.gz WLTZLZAVFQQELK-FQEVSTJZSA-N 2 2 361.534 2.058 50 0 FEAALP CCN1CC[C@]2(CN(Cc3c[nH+]cn3CC(C)C)CC[N@H+]2C)CCC1=O ZINC000091587457 542814411 /nfs/dbraw/zinc/81/44/11/542814411.db2.gz WLTZLZAVFQQELK-FQEVSTJZSA-N 2 2 361.534 2.058 50 0 FEAALP Cc1nc(N2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cc[nH+]1 ZINC000072420242 136145909 /nfs/dbraw/zinc/14/59/09/136145909.db2.gz QREJQXYCVQFKLQ-MRXNPFEDSA-N 2 2 355.490 2.283 50 0 FEAALP C[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020994508 523342554 /nfs/dbraw/zinc/34/25/54/523342554.db2.gz OUEHJSPIMWRUKV-NRFANRHFSA-N 2 2 370.493 2.391 50 0 FEAALP C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020994508 523342561 /nfs/dbraw/zinc/34/25/61/523342561.db2.gz OUEHJSPIMWRUKV-NRFANRHFSA-N 2 2 370.493 2.391 50 0 FEAALP COc1ccccc1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C)CC1 ZINC000091411453 524448072 /nfs/dbraw/zinc/44/80/72/524448072.db2.gz ZEDBRCZUUDXPQN-UHFFFAOYSA-N 2 2 366.469 2.448 50 0 FEAALP O=C(c1ccccn1)N1CCC([N@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CC3)C2)CC1 ZINC000091625266 526814143 /nfs/dbraw/zinc/81/41/43/526814143.db2.gz BNYZDJQDPNPQMQ-UYAOXDASSA-N 2 2 368.525 2.492 50 0 FEAALP O=C(c1ccccn1)N1CCC([N@@H+]2C[C@H]3CC[C@H](C[NH+]3CC3CC3)C2)CC1 ZINC000091625266 526814149 /nfs/dbraw/zinc/81/41/49/526814149.db2.gz BNYZDJQDPNPQMQ-UYAOXDASSA-N 2 2 368.525 2.492 50 0 FEAALP O=C(c1ccccn1)N1CCC([NH+]2C[C@H]3CC[C@H](C[N@H+]3CC3CC3)C2)CC1 ZINC000091625266 526814154 /nfs/dbraw/zinc/81/41/54/526814154.db2.gz BNYZDJQDPNPQMQ-UYAOXDASSA-N 2 2 368.525 2.492 50 0 FEAALP O=C(c1ccccn1)N1CCC([NH+]2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)CC1 ZINC000091625266 526814157 /nfs/dbraw/zinc/81/41/57/526814157.db2.gz BNYZDJQDPNPQMQ-UYAOXDASSA-N 2 2 368.525 2.492 50 0 FEAALP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177205557 546569676 /nfs/dbraw/zinc/56/96/76/546569676.db2.gz VVBCJHREMGDCAX-VQTJNVASSA-N 2 2 368.481 2.084 50 0 FEAALP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177205557 546569682 /nfs/dbraw/zinc/56/96/82/546569682.db2.gz VVBCJHREMGDCAX-VQTJNVASSA-N 2 2 368.481 2.084 50 0 FEAALP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4c(c3)CCO4)CC2)CC1 ZINC000195343395 548628442 /nfs/dbraw/zinc/62/84/42/548628442.db2.gz YZFHQHPKALDTLV-UHFFFAOYSA-N 2 2 358.486 2.302 50 0 FEAALP CNc1cc(C)[nH+]c(-c2ccc(C(=O)NCC[C@@H]3CCC[N@@H+]3C)cc2)n1 ZINC000426545203 559737467 /nfs/dbraw/zinc/73/74/67/559737467.db2.gz UJPGTYCVFDEWSY-KRWDZBQOSA-N 2 2 353.470 2.130 50 0 FEAALP CNc1cc(C)[nH+]c(-c2ccc(C(=O)NCC[C@@H]3CCC[N@H+]3C)cc2)n1 ZINC000426545203 559737468 /nfs/dbraw/zinc/73/74/68/559737468.db2.gz UJPGTYCVFDEWSY-KRWDZBQOSA-N 2 2 353.470 2.130 50 0 FEAALP CO[C@]12CC[N@H+](Cc3ccc(OCCn4cc[nH+]c4)cc3)[C@H]1C[C@H](O)CC2 ZINC000426584692 559738363 /nfs/dbraw/zinc/73/83/63/559738363.db2.gz MADUQFYJGKLODH-HLAWJBBLSA-N 2 2 371.481 2.466 50 0 FEAALP CO[C@]12CC[N@@H+](Cc3ccc(OCCn4cc[nH+]c4)cc3)[C@H]1C[C@H](O)CC2 ZINC000426584692 559738364 /nfs/dbraw/zinc/73/83/64/559738364.db2.gz MADUQFYJGKLODH-HLAWJBBLSA-N 2 2 371.481 2.466 50 0 FEAALP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000685942546 571102681 /nfs/dbraw/zinc/10/26/81/571102681.db2.gz ORYOCHRRRCDWTO-HNNXBMFYSA-N 2 2 356.474 2.113 50 0 FEAALP Nc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426372002 571139150 /nfs/dbraw/zinc/13/91/50/571139150.db2.gz IELHDCAZJUQLKV-UKTKYZJWSA-N 2 2 365.481 2.398 50 0 FEAALP Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C2)c1 ZINC000012703624 539570950 /nfs/dbraw/zinc/57/09/50/539570950.db2.gz UBUVIHIMBZTRAJ-SFHVURJKSA-N 2 2 367.559 2.340 50 0 FEAALP Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]([N@H+](C)CCC[NH+](C)C)C2)c1 ZINC000012703624 539570955 /nfs/dbraw/zinc/57/09/55/539570955.db2.gz UBUVIHIMBZTRAJ-SFHVURJKSA-N 2 2 367.559 2.340 50 0 FEAALP Cc1cc(=O)n2nc(C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)sc2n1 ZINC000024988095 539746162 /nfs/dbraw/zinc/74/61/62/539746162.db2.gz HVLSTJUUTHJRJC-CYBMUJFWSA-N 2 2 366.450 2.496 50 0 FEAALP Cc1ccccc1Cc1c(C)[nH+]c(C)nc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000036340125 539989164 /nfs/dbraw/zinc/98/91/64/539989164.db2.gz NJQOCWOTENQWAB-INIZCTEOSA-N 2 2 354.498 2.495 50 0 FEAALP Cc1ncc2c(c1CNC(=O)c1ccccc1-c1[nH+]ccn1C)CC[NH2+]C2 ZINC000072424603 541809656 /nfs/dbraw/zinc/80/96/56/541809656.db2.gz PTMKXXWNILVVCD-UHFFFAOYSA-N 2 2 361.449 2.366 50 0 FEAALP C[NH+]1CC23CN(Cc4ccc(CCC(C)(C)O)cc4)CC2(C1)C[NH+](C)C3 ZINC000072475419 541819297 /nfs/dbraw/zinc/81/92/97/541819297.db2.gz FUKIWDSYUHOYJG-UHFFFAOYSA-N 2 2 357.542 2.069 50 0 FEAALP CN1CC23C[NH+](C)CC2(C1)C[NH+](Cc1ccc(CCC(C)(C)O)cc1)C3 ZINC000072475419 541819302 /nfs/dbraw/zinc/81/93/02/541819302.db2.gz FUKIWDSYUHOYJG-UHFFFAOYSA-N 2 2 357.542 2.069 50 0 FEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Cc3ccccc3)[nH+]c(C)n2)c1C ZINC000072441297 541815389 /nfs/dbraw/zinc/81/53/89/541815389.db2.gz NGNDKLBHMOKPHP-UHFFFAOYSA-N 2 2 364.453 2.358 50 0 FEAALP CCc1ncc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000072457008 541816660 /nfs/dbraw/zinc/81/66/60/541816660.db2.gz UZLUJOBDCBCDNJ-KRWDZBQOSA-N 2 2 369.517 2.143 50 0 FEAALP CCc1ncc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000072457008 541816663 /nfs/dbraw/zinc/81/66/63/541816663.db2.gz UZLUJOBDCBCDNJ-KRWDZBQOSA-N 2 2 369.517 2.143 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)c3cnn(-c4ccccc4)c3)C2)CC1 ZINC000020454857 211282368 /nfs/dbraw/zinc/28/23/68/211282368.db2.gz DMMDMBCOAQYTMQ-SFHVURJKSA-N 2 2 367.497 2.161 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)c3cnn(-c4ccccc4)c3)C2)CC1 ZINC000020454857 211282372 /nfs/dbraw/zinc/28/23/72/211282372.db2.gz DMMDMBCOAQYTMQ-SFHVURJKSA-N 2 2 367.497 2.161 50 0 FEAALP Cc1cc(S(=O)(=O)N2CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C2)c(C)s1 ZINC000015066251 211116456 /nfs/dbraw/zinc/11/64/56/211116456.db2.gz ILARUONIUFHLLP-INIZCTEOSA-N 2 2 373.588 2.402 50 0 FEAALP Cc1cc(S(=O)(=O)N2CCC[C@H]([N@H+](C)CCC[NH+](C)C)C2)c(C)s1 ZINC000015066251 211116460 /nfs/dbraw/zinc/11/64/60/211116460.db2.gz ILARUONIUFHLLP-INIZCTEOSA-N 2 2 373.588 2.402 50 0 FEAALP Cc1cc(N2CCOC[C@@](O)(C[NH+]3CCCC3)C2)nc(-c2ccccc2)[nH+]1 ZINC000077356850 542371890 /nfs/dbraw/zinc/37/18/90/542371890.db2.gz YZMZAXXNVFFVJF-OAQYLSRUSA-N 2 2 368.481 2.116 50 0 FEAALP O=C(C[NH+]1Cc2ccccc2C1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077387998 542376693 /nfs/dbraw/zinc/37/66/93/542376693.db2.gz ZWWXKWAMUMYSLN-UHFFFAOYSA-N 2 2 350.466 2.132 50 0 FEAALP O=C(C[NH+]1Cc2ccccc2C1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077387998 542376695 /nfs/dbraw/zinc/37/66/95/542376695.db2.gz ZWWXKWAMUMYSLN-UHFFFAOYSA-N 2 2 350.466 2.132 50 0 FEAALP Nc1cc(N2CC[NH+](CC3=Cc4cc(Cl)ccc4OC3)CC2)nc[nH+]1 ZINC000065399240 221212092 /nfs/dbraw/zinc/21/20/92/221212092.db2.gz YGVUUECKICFZIS-UHFFFAOYSA-N 2 2 357.845 2.310 50 0 FEAALP Cc1csc(SCC(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC000067847133 221294219 /nfs/dbraw/zinc/29/42/19/221294219.db2.gz ZBJIVROOEXDFFA-UHFFFAOYSA-N 2 2 368.572 2.172 50 0 FEAALP Cc1csc(SCC(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC000067847133 221294222 /nfs/dbraw/zinc/29/42/22/221294222.db2.gz ZBJIVROOEXDFFA-UHFFFAOYSA-N 2 2 368.572 2.172 50 0 FEAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCCn3cc[nH+]c3)CC2)C1)N1CCCC1 ZINC000071762085 221369066 /nfs/dbraw/zinc/36/90/66/221369066.db2.gz RKISGYYUCAZHHV-LJQANCHMSA-N 3 2 373.545 2.072 50 0 FEAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCCn3cc[nH+]c3)CC2)C1)N1CCCC1 ZINC000071762085 221369069 /nfs/dbraw/zinc/36/90/69/221369069.db2.gz RKISGYYUCAZHHV-LJQANCHMSA-N 3 2 373.545 2.072 50 0 FEAALP Nc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219893837 132275213 /nfs/dbraw/zinc/27/52/13/132275213.db2.gz LSBLYJDRHBEMFZ-QPJJXVBHSA-N 3 2 364.497 2.099 50 0 FEAALP C[N@@H+](CC(N)=O)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095500283 542974251 /nfs/dbraw/zinc/97/42/51/542974251.db2.gz NLPIUILAFPRGKQ-OAHLLOKOSA-N 2 2 357.420 2.377 50 0 FEAALP C[N@H+](CC(N)=O)C[C@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095500283 542974257 /nfs/dbraw/zinc/97/42/57/542974257.db2.gz NLPIUILAFPRGKQ-OAHLLOKOSA-N 2 2 357.420 2.377 50 0 FEAALP C[NH+](CC(N)=O)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095500283 542974260 /nfs/dbraw/zinc/97/42/60/542974260.db2.gz NLPIUILAFPRGKQ-OAHLLOKOSA-N 2 2 357.420 2.377 50 0 FEAALP C[NH+](CC(N)=O)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095500283 542974263 /nfs/dbraw/zinc/97/42/63/542974263.db2.gz NLPIUILAFPRGKQ-OAHLLOKOSA-N 2 2 357.420 2.377 50 0 FEAALP C[N@@H+](CC(N)=O)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095500282 542974276 /nfs/dbraw/zinc/97/42/76/542974276.db2.gz NLPIUILAFPRGKQ-HNNXBMFYSA-N 2 2 357.420 2.377 50 0 FEAALP C[N@H+](CC(N)=O)C[C@@H]1CCC[NH+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095500282 542974278 /nfs/dbraw/zinc/97/42/78/542974278.db2.gz NLPIUILAFPRGKQ-HNNXBMFYSA-N 2 2 357.420 2.377 50 0 FEAALP C[NH+](CC(N)=O)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095500282 542974281 /nfs/dbraw/zinc/97/42/81/542974281.db2.gz NLPIUILAFPRGKQ-HNNXBMFYSA-N 2 2 357.420 2.377 50 0 FEAALP C[NH+](CC(N)=O)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000095500282 542974284 /nfs/dbraw/zinc/97/42/84/542974284.db2.gz NLPIUILAFPRGKQ-HNNXBMFYSA-N 2 2 357.420 2.377 50 0 FEAALP Cc1[nH]c(C[NH+]2CCC3(CCN(C(=O)C4CCCC4)C[C@@H]3CO)CC2)c[nH+]1 ZINC000097766378 222211796 /nfs/dbraw/zinc/21/17/96/222211796.db2.gz YAFIRUBVIRZYIC-GOSISDBHSA-N 2 2 374.529 2.331 50 0 FEAALP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000241144852 521740976 /nfs/dbraw/zinc/74/09/76/521740976.db2.gz JTQHDTLCGPXOBN-OALUTQOASA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000241144852 521740977 /nfs/dbraw/zinc/74/09/77/521740977.db2.gz JTQHDTLCGPXOBN-OALUTQOASA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[NH+]1CCC[C@H]1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000241144852 521740978 /nfs/dbraw/zinc/74/09/78/521740978.db2.gz JTQHDTLCGPXOBN-OALUTQOASA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[NH+]1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000241144852 521740979 /nfs/dbraw/zinc/74/09/79/521740979.db2.gz JTQHDTLCGPXOBN-OALUTQOASA-N 2 2 372.513 2.209 50 0 FEAALP CCn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000082161097 523373470 /nfs/dbraw/zinc/37/34/70/523373470.db2.gz MSQGBSZUAYBBEW-HXUWFJFHSA-N 2 2 370.501 2.073 50 0 FEAALP CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000082161097 523373481 /nfs/dbraw/zinc/37/34/81/523373481.db2.gz MSQGBSZUAYBBEW-HXUWFJFHSA-N 2 2 370.501 2.073 50 0 FEAALP CCn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000082161097 523373487 /nfs/dbraw/zinc/37/34/87/523373487.db2.gz MSQGBSZUAYBBEW-HXUWFJFHSA-N 2 2 370.501 2.073 50 0 FEAALP CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000082161097 523373491 /nfs/dbraw/zinc/37/34/91/523373491.db2.gz MSQGBSZUAYBBEW-HXUWFJFHSA-N 2 2 370.501 2.073 50 0 FEAALP CCn1ccnc1C[NH+]1CCC(c2nnc(C[NH+]3CCCC3)n2CC)CC1 ZINC000082115290 523527347 /nfs/dbraw/zinc/52/73/47/523527347.db2.gz MUBHJKSWAOLHJQ-UHFFFAOYSA-N 2 2 371.533 2.490 50 0 FEAALP O[C@H]1C[N@H+](Cc2ccccc2OCC[NH+]2CCOCC2)Cc2ccccc21 ZINC000082091510 526313783 /nfs/dbraw/zinc/31/37/83/526313783.db2.gz LVHNSJGWIAIDRF-NRFANRHFSA-N 2 2 368.477 2.447 50 0 FEAALP O[C@H]1C[N@@H+](Cc2ccccc2OCC[NH+]2CCOCC2)Cc2ccccc21 ZINC000082091510 526313792 /nfs/dbraw/zinc/31/37/92/526313792.db2.gz LVHNSJGWIAIDRF-NRFANRHFSA-N 2 2 368.477 2.447 50 0 FEAALP NC(=O)COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000216483671 526892759 /nfs/dbraw/zinc/89/27/59/526892759.db2.gz JTSCXMIJSWOWIM-CQSZACIVSA-N 2 2 362.861 2.313 50 0 FEAALP NC(=O)COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000216483671 526892764 /nfs/dbraw/zinc/89/27/64/526892764.db2.gz JTSCXMIJSWOWIM-CQSZACIVSA-N 2 2 362.861 2.313 50 0 FEAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)C4CCCC4)CC3)[nH+]c(C)n2)c1C ZINC000082230368 527459383 /nfs/dbraw/zinc/45/93/83/527459383.db2.gz YUYRGHLILCXFKS-UHFFFAOYSA-N 2 2 368.485 2.426 50 0 FEAALP CCNc1cc[nH+]c(N2CC[N@H+](Cc3ccccc3F)[C@@H](CCO)C2)n1 ZINC000106967699 535527110 /nfs/dbraw/zinc/52/71/10/535527110.db2.gz SBIOJNHDWWMAAY-INIZCTEOSA-N 2 2 359.449 2.121 50 0 FEAALP CCNc1cc[nH+]c(N2CC[N@@H+](Cc3ccccc3F)[C@@H](CCO)C2)n1 ZINC000106967699 535527116 /nfs/dbraw/zinc/52/71/16/535527116.db2.gz SBIOJNHDWWMAAY-INIZCTEOSA-N 2 2 359.449 2.121 50 0 FEAALP CCNc1cc[nH+]c(N2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000072454028 535527154 /nfs/dbraw/zinc/52/71/54/535527154.db2.gz NRDZCMMXQMCBCS-HNNXBMFYSA-N 2 2 370.505 2.017 50 0 FEAALP COc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)nc(N)[nH+]1 ZINC000095499468 536829582 /nfs/dbraw/zinc/82/95/82/536829582.db2.gz VWBSQIDMCQMFJY-GFCCVEGCSA-N 2 2 371.470 2.153 50 0 FEAALP COCC[NH+]1CCC([NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000252480029 536857253 /nfs/dbraw/zinc/85/72/53/536857253.db2.gz BSMJXWYFASRNPI-UHFFFAOYSA-N 2 2 372.435 2.333 50 0 FEAALP COCC[NH+]1CCC([NH+]2CCN(c3ncccc3C(F)(F)F)CC2)CC1 ZINC000240002206 536858224 /nfs/dbraw/zinc/85/82/24/536858224.db2.gz POVCNMFCKAULNU-UHFFFAOYSA-N 2 2 372.435 2.333 50 0 FEAALP COc1ccccc1C[NH+]1CCN(C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000171232089 546198964 /nfs/dbraw/zinc/19/89/64/546198964.db2.gz YLOJJXOMKLAWKF-UHFFFAOYSA-N 2 2 360.502 2.008 50 0 FEAALP CN(C)C(=O)c1[nH]nc2c1C[N@H+](Cc1cc(C[NH+]3CCCC3)cs1)CC2 ZINC000215768472 548673696 /nfs/dbraw/zinc/67/36/96/548673696.db2.gz CPHFVVBMZLGIQC-UHFFFAOYSA-N 2 2 373.526 2.327 50 0 FEAALP CN(C)C(=O)c1[nH]nc2c1C[N@@H+](Cc1cc(C[NH+]3CCCC3)cs1)CC2 ZINC000215768472 548673698 /nfs/dbraw/zinc/67/36/98/548673698.db2.gz CPHFVVBMZLGIQC-UHFFFAOYSA-N 2 2 373.526 2.327 50 0 FEAALP Cc1cccc2[nH+]c(CCN(C)c3cc(C4CC(O)C4)[nH+]c(N)n3)[nH]c21 ZINC000222902970 548713231 /nfs/dbraw/zinc/71/32/31/548713231.db2.gz AVAXFXZLGJPRJJ-UHFFFAOYSA-N 2 2 352.442 2.161 50 0 FEAALP Cc1cccc2[nH]c(CCN(C)c3cc(C4CC(O)C4)[nH+]c(N)n3)[nH+]c21 ZINC000222902970 548713243 /nfs/dbraw/zinc/71/32/43/548713243.db2.gz AVAXFXZLGJPRJJ-UHFFFAOYSA-N 2 2 352.442 2.161 50 0 FEAALP CCN(CCc1[nH]c2ccccc2[nH+]1)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426478105 559735408 /nfs/dbraw/zinc/73/54/08/559735408.db2.gz WOZASUCWCNEPEX-ZDUSSCGKSA-N 2 2 352.442 2.508 50 0 FEAALP C[C@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000222088978 568495835 /nfs/dbraw/zinc/49/58/35/568495835.db2.gz NTKVWQNMNACXGL-LAUBAEHRSA-N 2 2 370.541 2.107 50 0 FEAALP C[C@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000222088978 568495836 /nfs/dbraw/zinc/49/58/36/568495836.db2.gz NTKVWQNMNACXGL-LAUBAEHRSA-N 2 2 370.541 2.107 50 0 FEAALP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000653090087 570614341 /nfs/dbraw/zinc/61/43/41/570614341.db2.gz DWBKQYHSWZACSU-AWEZNQCLSA-N 2 2 355.364 2.109 50 0 FEAALP C[NH+](C)CCNc1nc2[nH]nc(N)c2c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000005386572 539410004 /nfs/dbraw/zinc/41/00/04/539410004.db2.gz PIRMRYPNVWMRTF-UHFFFAOYSA-N 2 2 365.485 2.072 50 0 FEAALP C[NH+](C)CCNc1nc2[nH]nc(N)c2c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000005386572 539410008 /nfs/dbraw/zinc/41/00/08/539410008.db2.gz PIRMRYPNVWMRTF-UHFFFAOYSA-N 2 2 365.485 2.072 50 0 FEAALP O=C(C[NH2+]C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21)Nc1ccc(F)c(F)c1F ZINC000063857077 212034632 /nfs/dbraw/zinc/03/46/32/212034632.db2.gz NGHXKWDAJHQTNJ-RDTXWAMCSA-N 2 2 371.403 2.011 50 0 FEAALP O=C(C[NH2+]C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21)Nc1ccc(F)c(F)c1F ZINC000063857077 212034637 /nfs/dbraw/zinc/03/46/37/212034637.db2.gz NGHXKWDAJHQTNJ-RDTXWAMCSA-N 2 2 371.403 2.011 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072462597 541816925 /nfs/dbraw/zinc/81/69/25/541816925.db2.gz GHBKWTBOOYQDRT-INIZCTEOSA-N 2 2 361.534 2.284 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000072462597 541816928 /nfs/dbraw/zinc/81/69/28/541816928.db2.gz GHBKWTBOOYQDRT-INIZCTEOSA-N 2 2 361.534 2.284 50 0 FEAALP CCc1cc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)on1 ZINC000072477346 541820449 /nfs/dbraw/zinc/82/04/49/541820449.db2.gz ZFBQQZJVPSYXFG-HNNXBMFYSA-N 2 2 358.490 2.341 50 0 FEAALP CCc1cc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)on1 ZINC000072477346 541820452 /nfs/dbraw/zinc/82/04/52/541820452.db2.gz ZFBQQZJVPSYXFG-HNNXBMFYSA-N 2 2 358.490 2.341 50 0 FEAALP C[NH+]1CCC([N@@H+]2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000023340390 211384287 /nfs/dbraw/zinc/38/42/87/211384287.db2.gz BIBTYNDEPPOZBA-ZWKOTPCHSA-N 2 2 363.889 2.482 50 0 FEAALP C[NH+]1CCC([N@H+]2C[C@H]3OC(=O)N(CCc4cccc(Cl)c4)[C@H]3C2)CC1 ZINC000023340390 211384291 /nfs/dbraw/zinc/38/42/91/211384291.db2.gz BIBTYNDEPPOZBA-ZWKOTPCHSA-N 2 2 363.889 2.482 50 0 FEAALP Cc1ncccc1OC1(C(=O)N(Cc2[nH+]ccn2C)C(C)C)CC[NH2+]CC1 ZINC000065407762 221215231 /nfs/dbraw/zinc/21/52/31/221215231.db2.gz AHFFZUPYKXWWKH-UHFFFAOYSA-N 2 2 371.485 2.062 50 0 FEAALP COCC[NH+]1CCC(c2c(-c3ccccc3)[nH+]cn2CCOCCO)CC1 ZINC000065496117 221227272 /nfs/dbraw/zinc/22/72/72/221227272.db2.gz FLTFQGDLLGQCBF-UHFFFAOYSA-N 2 2 373.497 2.385 50 0 FEAALP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccnc1OC)[NH2+][C@]2(CO)c1ccccc1 ZINC000065527906 221230818 /nfs/dbraw/zinc/23/08/18/221230818.db2.gz AULXTWNSSAPONY-RCLSDMTESA-N 2 2 353.466 2.190 50 0 FEAALP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1cccnc1OC)[NH2+][C@]2(CO)c1ccccc1 ZINC000065527906 221230820 /nfs/dbraw/zinc/23/08/20/221230820.db2.gz AULXTWNSSAPONY-RCLSDMTESA-N 2 2 353.466 2.190 50 0 FEAALP Cc1ccc(C[N@@H+]2C[C@H]3OC(=O)N(CCC[NH+]4CCOCC4)[C@H]3C2)cc1C ZINC000067672900 221268478 /nfs/dbraw/zinc/26/84/78/221268478.db2.gz YSWCAOPQJUOFFK-VQTJNVASSA-N 2 2 373.497 2.031 50 0 FEAALP Cc1ccc(C[N@H+]2C[C@H]3OC(=O)N(CCC[NH+]4CCOCC4)[C@H]3C2)cc1C ZINC000067672900 221268481 /nfs/dbraw/zinc/26/84/81/221268481.db2.gz YSWCAOPQJUOFFK-VQTJNVASSA-N 2 2 373.497 2.031 50 0 FEAALP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000071748523 221359544 /nfs/dbraw/zinc/35/95/44/221359544.db2.gz UEZAXVZHLSLWMU-QGZVFWFLSA-N 2 2 356.514 2.079 50 0 FEAALP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000071748523 221359545 /nfs/dbraw/zinc/35/95/45/221359545.db2.gz UEZAXVZHLSLWMU-QGZVFWFLSA-N 2 2 356.514 2.079 50 0 FEAALP COc1cc[nH+]c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071707913 221354150 /nfs/dbraw/zinc/35/41/50/221354150.db2.gz PHRDYARHYXYIHZ-MRXNPFEDSA-N 2 2 372.513 2.045 50 0 FEAALP COc1cc[nH+]c(CN2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)c1 ZINC000071707913 221354151 /nfs/dbraw/zinc/35/41/51/221354151.db2.gz PHRDYARHYXYIHZ-MRXNPFEDSA-N 2 2 372.513 2.045 50 0 FEAALP O=C1CN(c2ccc(Cn3cc[nH+]c3)c[nH+]2)CCN1Cc1cccc(F)c1 ZINC000077437192 132184674 /nfs/dbraw/zinc/18/46/74/132184674.db2.gz WRYUVUKTSDILOD-UHFFFAOYSA-N 2 2 365.412 2.314 50 0 FEAALP C[C@@H](C1CCN(c2cc(N3CCC(O)CC3)[nH+]cn2)CC1)[NH+]1CCCC1 ZINC000095351999 132206890 /nfs/dbraw/zinc/20/68/90/132206890.db2.gz QUBPJMAEXSFFSQ-INIZCTEOSA-N 2 2 359.518 2.138 50 0 FEAALP C[C@@H](C1CCN(c2cc(N3CCC(O)CC3)nc[nH+]2)CC1)[NH+]1CCCC1 ZINC000095351999 132206892 /nfs/dbraw/zinc/20/68/92/132206892.db2.gz QUBPJMAEXSFFSQ-INIZCTEOSA-N 2 2 359.518 2.138 50 0 FEAALP CN1CC[C@@]2(CN(Cc3ccc(-n4cc[nH+]c4)cc3)CC[N@@H+]2C)CCC1=O ZINC000091390837 542806465 /nfs/dbraw/zinc/80/64/65/542806465.db2.gz DOMGHBFBUNPNNX-OAQYLSRUSA-N 2 2 367.497 2.001 50 0 FEAALP CN1CC[C@@]2(CN(Cc3ccc(-n4cc[nH+]c4)cc3)CC[N@H+]2C)CCC1=O ZINC000091390837 542806466 /nfs/dbraw/zinc/80/64/66/542806466.db2.gz DOMGHBFBUNPNNX-OAQYLSRUSA-N 2 2 367.497 2.001 50 0 FEAALP Cc1[nH+]ccn1Cc1nnc(C2CC[NH+](Cc3cscn3)CC2)n1C ZINC000091848031 542828148 /nfs/dbraw/zinc/82/81/48/542828148.db2.gz FXUZZFMBPSLBHL-UHFFFAOYSA-N 2 2 357.487 2.204 50 0 FEAALP C[N@@H+]1CCCN(CC(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)CC1 ZINC000091997652 542836092 /nfs/dbraw/zinc/83/60/92/542836092.db2.gz POPGSZLUDNMJKN-UHFFFAOYSA-N 2 2 373.545 2.027 50 0 FEAALP C[N@H+]1CCCN(CC(=O)N2CCC(c3[nH+]ccn3CC3CCC3)CC2)CC1 ZINC000091997652 542836094 /nfs/dbraw/zinc/83/60/94/542836094.db2.gz POPGSZLUDNMJKN-UHFFFAOYSA-N 2 2 373.545 2.027 50 0 FEAALP C[C@@H](NC(=O)CCn1cc[nH+]c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000069583018 136138072 /nfs/dbraw/zinc/13/80/72/136138072.db2.gz HUJTVJKGUDJTEE-OAHLLOKOSA-N 2 2 359.449 2.042 50 0 FEAALP CC(C)Nc1cc(N2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)nc[nH+]1 ZINC000072411005 136145552 /nfs/dbraw/zinc/14/55/52/136145552.db2.gz VVLZSQYVOJJWBP-GOSISDBHSA-N 2 2 355.486 2.370 50 0 FEAALP CC(C)Nc1cc(N2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)nc[nH+]1 ZINC000072411005 136145553 /nfs/dbraw/zinc/14/55/53/136145553.db2.gz VVLZSQYVOJJWBP-GOSISDBHSA-N 2 2 355.486 2.370 50 0 FEAALP c1cc2nc(-c3ccccc3)cc(N3CC[NH+](CCn4cc[nH+]c4)CC3)n2n1 ZINC000072421410 136145986 /nfs/dbraw/zinc/14/59/86/136145986.db2.gz FMDDCTGEXYCDHM-UHFFFAOYSA-N 2 2 373.464 2.415 50 0 FEAALP Cn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)CC1 ZINC000095496925 542973077 /nfs/dbraw/zinc/97/30/77/542973077.db2.gz YIZTZUVJXKHZGR-QGZVFWFLSA-N 2 2 360.502 2.017 50 0 FEAALP Cn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)CC1 ZINC000095496925 542973079 /nfs/dbraw/zinc/97/30/79/542973079.db2.gz YIZTZUVJXKHZGR-QGZVFWFLSA-N 2 2 360.502 2.017 50 0 FEAALP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129427293 544111644 /nfs/dbraw/zinc/11/16/44/544111644.db2.gz LLBMWKQZZQMYSU-VKJFTORMSA-N 2 2 367.453 2.140 50 0 FEAALP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129427293 544111646 /nfs/dbraw/zinc/11/16/46/544111646.db2.gz LLBMWKQZZQMYSU-VKJFTORMSA-N 2 2 367.453 2.140 50 0 FEAALP COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000091487080 524027890 /nfs/dbraw/zinc/02/78/90/524027890.db2.gz UCZIEKOBHLRSRD-QGZVFWFLSA-N 2 2 366.469 2.448 50 0 FEAALP COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)cc1 ZINC000091487080 524027891 /nfs/dbraw/zinc/02/78/91/524027891.db2.gz UCZIEKOBHLRSRD-QGZVFWFLSA-N 2 2 366.469 2.448 50 0 FEAALP CCn1cc[nH+]c1[C@@H]1CCCN(c2nc(N3CCC(O)CC3)cc[nH+]2)C1 ZINC000095507761 536119324 /nfs/dbraw/zinc/11/93/24/536119324.db2.gz SUNSNXNXXKSCPZ-OAHLLOKOSA-N 2 2 356.474 2.038 50 0 FEAALP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000246289056 549096969 /nfs/dbraw/zinc/09/69/69/549096969.db2.gz CFWUIOFAGVXHEG-NSISKUIASA-N 2 2 359.514 2.029 50 0 FEAALP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000246289056 549096973 /nfs/dbraw/zinc/09/69/73/549096973.db2.gz CFWUIOFAGVXHEG-NSISKUIASA-N 2 2 359.514 2.029 50 0 FEAALP CSCc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000015073153 670010241 /nfs/dbraw/zinc/01/02/41/670010241.db2.gz WFEODHPFEPWKRX-AWEZNQCLSA-N 2 2 351.516 2.431 50 0 FEAALP CSCc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000015073153 670010244 /nfs/dbraw/zinc/01/02/44/670010244.db2.gz WFEODHPFEPWKRX-AWEZNQCLSA-N 2 2 351.516 2.431 50 0 FEAALP [NH2+]=c1n(CC[NH+]2CCOCC2)c2ccccc2n1C[C@H](O)c1cccs1 ZINC000004663508 539389413 /nfs/dbraw/zinc/38/94/13/539389413.db2.gz BIAVGEKNBAOSSE-KRWDZBQOSA-N 2 2 372.494 2.050 50 0 FEAALP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000011821699 539535866 /nfs/dbraw/zinc/53/58/66/539535866.db2.gz LJDHGCXWHSJUPQ-LJQANCHMSA-N 2 2 356.514 2.284 50 0 FEAALP O=C(NCC1CC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000011821699 539535873 /nfs/dbraw/zinc/53/58/73/539535873.db2.gz LJDHGCXWHSJUPQ-LJQANCHMSA-N 2 2 356.514 2.284 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)Cc3cc(F)ccc3F)C2)CC1 ZINC000011873561 539537814 /nfs/dbraw/zinc/53/78/14/539537814.db2.gz OIRRPVXWZCQQAB-INIZCTEOSA-N 2 2 351.441 2.182 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)Cc3cc(F)ccc3F)C2)CC1 ZINC000011873561 539537821 /nfs/dbraw/zinc/53/78/21/539537821.db2.gz OIRRPVXWZCQQAB-INIZCTEOSA-N 2 2 351.441 2.182 50 0 FEAALP COc1ccc(-c2noc(C[N@H+](C)CCCC[NH+]3CCOCC3)n2)cc1 ZINC000012073131 539541841 /nfs/dbraw/zinc/54/18/41/539541841.db2.gz BFJHOMNYQIJFLP-UHFFFAOYSA-N 2 2 360.458 2.289 50 0 FEAALP COc1ccc(-c2noc(C[N@@H+](C)CCCC[NH+]3CCOCC3)n2)cc1 ZINC000012073131 539541845 /nfs/dbraw/zinc/54/18/45/539541845.db2.gz BFJHOMNYQIJFLP-UHFFFAOYSA-N 2 2 360.458 2.289 50 0 FEAALP CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(OC[C@@]2(C)CCC[NH2+]C2)nc1 ZINC000012303043 539552708 /nfs/dbraw/zinc/55/27/08/539552708.db2.gz ORKFAPTZOVDBOU-FQEVSTJZSA-N 2 2 371.485 2.246 50 0 FEAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299755681 210007954 /nfs/dbraw/zinc/00/79/54/210007954.db2.gz CTLXVYWBXVCYFN-IBGZPJMESA-N 2 2 354.454 2.199 50 0 FEAALP [NH2+]=c1n(CCOc2ccccc2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000000821025 219327006 /nfs/dbraw/zinc/32/70/06/219327006.db2.gz BGNZACTVPPXKCI-UHFFFAOYSA-N 2 2 366.465 2.333 50 0 FEAALP CCc1oc(C(=O)NCc2c[nH+]cn2CCOC)cc1C[NH+](CC)CC ZINC000055211666 540635662 /nfs/dbraw/zinc/63/56/62/540635662.db2.gz XEGMBPIAZQCDIK-UHFFFAOYSA-N 2 2 362.474 2.457 50 0 FEAALP Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)cc2)cc1 ZINC000055042194 540623294 /nfs/dbraw/zinc/62/32/94/540623294.db2.gz GHJLQXVDOZOFHI-SFHVURJKSA-N 2 2 363.421 2.479 50 0 FEAALP Nc1nc(N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc[nH+]1 ZINC000072137131 541785843 /nfs/dbraw/zinc/78/58/43/541785843.db2.gz KKEYTEAVQGHZQA-MORSLUCNSA-N 2 2 357.408 2.404 50 0 FEAALP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000072310040 541799107 /nfs/dbraw/zinc/79/91/07/541799107.db2.gz ZWAXQRIBHKMJIP-VQTJNVASSA-N 2 2 357.498 2.009 50 0 FEAALP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000072310040 541799109 /nfs/dbraw/zinc/79/91/09/541799109.db2.gz ZWAXQRIBHKMJIP-VQTJNVASSA-N 2 2 357.498 2.009 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000072432699 541813547 /nfs/dbraw/zinc/81/35/47/541813547.db2.gz GGRUQYZSVTWVTD-QGZVFWFLSA-N 2 2 361.534 2.141 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000072432699 541813549 /nfs/dbraw/zinc/81/35/49/541813549.db2.gz GGRUQYZSVTWVTD-QGZVFWFLSA-N 2 2 361.534 2.141 50 0 FEAALP CCn1c[nH+]cc1CNC(=O)C[C@@H]1COCC[N@@H+]1C/C=C/c1ccccc1 ZINC000072433423 541813715 /nfs/dbraw/zinc/81/37/15/541813715.db2.gz IELRHGUSDKYDNX-MBNRZODZSA-N 2 2 368.481 2.324 50 0 FEAALP CCn1c[nH+]cc1CNC(=O)C[C@@H]1COCC[N@H+]1C/C=C/c1ccccc1 ZINC000072433423 541813719 /nfs/dbraw/zinc/81/37/19/541813719.db2.gz IELRHGUSDKYDNX-MBNRZODZSA-N 2 2 368.481 2.324 50 0 FEAALP COc1cccc(C(=O)NCCNc2cc(-n3c[nH+]c(C)c3C)nc[nH+]2)c1 ZINC000072437557 541814429 /nfs/dbraw/zinc/81/44/29/541814429.db2.gz NUNMPFTWUKPMFG-UHFFFAOYSA-N 2 2 366.425 2.130 50 0 FEAALP C(c1nnc(C2CC[NH+](C3CC[NH2+]CC3)CC2)n1C1CC1)[NH+]1CCCC1 ZINC000077320015 542366811 /nfs/dbraw/zinc/36/68/11/542366811.db2.gz BBWLBULKFDMYIF-UHFFFAOYSA-N 3 2 358.534 2.140 50 0 FEAALP COc1cccc2c1OCC(C[NH+]1CCN([C@H]3C[NH+]4CCC3CC4)CC1)=C2 ZINC000065381444 221207424 /nfs/dbraw/zinc/20/74/24/221207424.db2.gz MYVRXHRGZJKCTA-FQEVSTJZSA-N 2 2 369.509 2.183 50 0 FEAALP COc1ccc(OC)c(C[NH+]2CCN(c3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000065406733 221214413 /nfs/dbraw/zinc/21/44/13/221214413.db2.gz HKBIVNDAUDVRDI-UHFFFAOYSA-N 2 2 353.426 2.297 50 0 FEAALP CCc1cc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3CC)CC2)nc(N(C)C)[nH+]1 ZINC000095507642 132212812 /nfs/dbraw/zinc/21/28/12/132212812.db2.gz LCASMALYLIPERK-GOSISDBHSA-N 3 2 360.550 2.148 50 0 FEAALP CCc1cc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3CC)CC2)nc(N(C)C)[nH+]1 ZINC000095507642 132212813 /nfs/dbraw/zinc/21/28/13/132212813.db2.gz LCASMALYLIPERK-GOSISDBHSA-N 3 2 360.550 2.148 50 0 FEAALP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000089573859 542764692 /nfs/dbraw/zinc/76/46/92/542764692.db2.gz UKBVRZMVHKMLKK-LATSOQNDSA-N 2 2 374.504 2.396 50 0 FEAALP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000089573859 542764694 /nfs/dbraw/zinc/76/46/94/542764694.db2.gz UKBVRZMVHKMLKK-LATSOQNDSA-N 2 2 374.504 2.396 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000095367488 542961515 /nfs/dbraw/zinc/96/15/15/542961515.db2.gz IEFBTECKKISUNS-MRXNPFEDSA-N 2 2 352.442 2.145 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000095367488 542961517 /nfs/dbraw/zinc/96/15/17/542961517.db2.gz IEFBTECKKISUNS-MRXNPFEDSA-N 2 2 352.442 2.145 50 0 FEAALP C[NH+]1CCC([N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000095352393 542957644 /nfs/dbraw/zinc/95/76/44/542957644.db2.gz AHBPUTZVNYFCSK-VLCRHTCISA-N 2 2 369.509 2.372 50 0 FEAALP C[NH+]1CCC([N@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)CC1 ZINC000095352393 542957646 /nfs/dbraw/zinc/95/76/46/542957646.db2.gz AHBPUTZVNYFCSK-VLCRHTCISA-N 2 2 369.509 2.372 50 0 FEAALP C[C@H](Cn1cccn1)C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095363789 542960643 /nfs/dbraw/zinc/96/06/43/542960643.db2.gz SQHGHQOHKIFARP-QGZVFWFLSA-N 2 2 372.517 2.074 50 0 FEAALP COc1ccc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)o1 ZINC000095364142 542960718 /nfs/dbraw/zinc/96/07/18/542960718.db2.gz VYNUKVLKNINQGN-UHFFFAOYSA-N 2 2 360.458 2.456 50 0 FEAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CN2CCC[N@H+](C)CC2)C1 ZINC000095386005 542965965 /nfs/dbraw/zinc/96/59/65/542965965.db2.gz XTQZKVZGPCPZAO-GOSISDBHSA-N 2 2 361.534 2.027 50 0 FEAALP CCCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CN2CCC[N@@H+](C)CC2)C1 ZINC000095386005 542965969 /nfs/dbraw/zinc/96/59/69/542965969.db2.gz XTQZKVZGPCPZAO-GOSISDBHSA-N 2 2 361.534 2.027 50 0 FEAALP C[C@H]1CN(Cc2nnc(-c3cccs3)o2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000095456058 542970858 /nfs/dbraw/zinc/97/08/58/542970858.db2.gz YJKPMKMWIVSZFD-AWEZNQCLSA-N 2 2 361.515 2.398 50 0 FEAALP C[C@H]1CN(Cc2nnc(-c3cccs3)o2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000095456058 542970861 /nfs/dbraw/zinc/97/08/61/542970861.db2.gz YJKPMKMWIVSZFD-AWEZNQCLSA-N 2 2 361.515 2.398 50 0 FEAALP Cc1nnsc1C(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095523408 542980302 /nfs/dbraw/zinc/98/03/02/542980302.db2.gz KSXXFCLRLALAPO-AWEZNQCLSA-N 2 2 362.503 2.015 50 0 FEAALP C[N@@H+]1CCN(C(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)CC12CC[NH2+]CC2 ZINC000096180569 222067635 /nfs/dbraw/zinc/06/76/35/222067635.db2.gz YBEPOYZPZLFSIR-NRFANRHFSA-N 2 2 359.489 2.390 50 0 FEAALP C[N@H+]1CCN(C(=O)[C@@]2(c3ccc(F)cc3)CC2(C)C)CC12CC[NH2+]CC2 ZINC000096180569 222067637 /nfs/dbraw/zinc/06/76/37/222067637.db2.gz YBEPOYZPZLFSIR-NRFANRHFSA-N 2 2 359.489 2.390 50 0 FEAALP O=C(NCC1([NH+]2CCOCC2)CCCC1)c1ccc(C[NH+]2CCCC2)o1 ZINC000097711679 222207496 /nfs/dbraw/zinc/20/74/96/222207496.db2.gz SBEJGPYIIDXIOX-UHFFFAOYSA-N 2 2 361.486 2.250 50 0 FEAALP O=c1c2c(nc3cc([C@@H]4CCC[NH2+]C4)[nH]n31)CC[N@@H+](Cc1ccccc1)C2 ZINC000100003401 222231057 /nfs/dbraw/zinc/23/10/57/222231057.db2.gz HOHOCNXEZPXLTI-MRXNPFEDSA-N 2 2 363.465 2.460 50 0 FEAALP O=c1c2c(nc3cc([C@@H]4CCC[NH2+]C4)[nH]n31)CC[N@H+](Cc1ccccc1)C2 ZINC000100003401 222231060 /nfs/dbraw/zinc/23/10/60/222231060.db2.gz HOHOCNXEZPXLTI-MRXNPFEDSA-N 2 2 363.465 2.460 50 0 FEAALP C[N@@H+]1CCN(Cc2c[nH+]cn2C2CCCCC2)C[C@@]12CCNC(=O)CC2 ZINC000107410717 222393927 /nfs/dbraw/zinc/39/39/27/222393927.db2.gz SJEGOGYTZALNHW-HXUWFJFHSA-N 2 2 359.518 2.175 50 0 FEAALP C[N@H+]1CCN(Cc2c[nH+]cn2C2CCCCC2)C[C@@]12CCNC(=O)CC2 ZINC000107410717 222393929 /nfs/dbraw/zinc/39/39/29/222393929.db2.gz SJEGOGYTZALNHW-HXUWFJFHSA-N 2 2 359.518 2.175 50 0 FEAALP C[N@H+](Cc1cc(C(=O)N2CC[NH+]3CCC[C@H]3C2)no1)Cc1ccccc1 ZINC000248037024 523166689 /nfs/dbraw/zinc/16/66/89/523166689.db2.gz JRWPPJHDABMOPZ-KRWDZBQOSA-N 2 2 354.454 2.227 50 0 FEAALP C[N@@H+](Cc1cc(C(=O)N2CC[NH+]3CCC[C@H]3C2)no1)Cc1ccccc1 ZINC000248037024 523166696 /nfs/dbraw/zinc/16/66/96/523166696.db2.gz JRWPPJHDABMOPZ-KRWDZBQOSA-N 2 2 354.454 2.227 50 0 FEAALP C[NH+](Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)no1)Cc1ccccc1 ZINC000248037024 523166704 /nfs/dbraw/zinc/16/67/04/523166704.db2.gz JRWPPJHDABMOPZ-KRWDZBQOSA-N 2 2 354.454 2.227 50 0 FEAALP C[NH+](Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)no1)Cc1ccccc1 ZINC000248037024 523166710 /nfs/dbraw/zinc/16/67/10/523166710.db2.gz JRWPPJHDABMOPZ-KRWDZBQOSA-N 2 2 354.454 2.227 50 0 FEAALP Cc1ccccc1OC1CN(C(=O)[C@H]2CCC[N@H+]2C2CC[NH+](C)CC2)C1 ZINC000082147992 525277271 /nfs/dbraw/zinc/27/72/71/525277271.db2.gz YKOQETPVZNLDJA-LJQANCHMSA-N 2 2 357.498 2.143 50 0 FEAALP Cc1ccccc1OC1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC[NH+](C)CC2)C1 ZINC000082147992 525277278 /nfs/dbraw/zinc/27/72/78/525277278.db2.gz YKOQETPVZNLDJA-LJQANCHMSA-N 2 2 357.498 2.143 50 0 FEAALP CCCc1c[nH+]c(C)nc1N1CC[C@@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091587489 535436820 /nfs/dbraw/zinc/43/68/20/535436820.db2.gz NENMGNFCTJYOES-HXUWFJFHSA-N 2 2 362.518 2.037 50 0 FEAALP COc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)nc(N)[nH+]1 ZINC000091656729 536829349 /nfs/dbraw/zinc/82/93/49/536829349.db2.gz BLBFJDINTLJVTM-OAHLLOKOSA-N 2 2 365.441 2.091 50 0 FEAALP COc1cc(C[N@@H+]2CCc3n[nH]cc3C2)ccc1OCC[NH+]1CCCC1 ZINC000215244062 548669355 /nfs/dbraw/zinc/66/93/55/548669355.db2.gz SJMYXHXDZKVINS-UHFFFAOYSA-N 2 2 356.470 2.451 50 0 FEAALP COc1cc(C[N@H+]2CCc3n[nH]cc3C2)ccc1OCC[NH+]1CCCC1 ZINC000215244062 548669357 /nfs/dbraw/zinc/66/93/57/548669357.db2.gz SJMYXHXDZKVINS-UHFFFAOYSA-N 2 2 356.470 2.451 50 0 FEAALP c1coc(C[NH+]2CCC([NH2+][C@@H]3COCC[C@H]3Oc3ccccn3)CC2)c1 ZINC000220194540 548698753 /nfs/dbraw/zinc/69/87/53/548698753.db2.gz FHKGLYOLWWKVAY-RTBURBONSA-N 2 2 357.454 2.465 50 0 FEAALP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000240444273 548885038 /nfs/dbraw/zinc/88/50/38/548885038.db2.gz FXDLRNUUKUJOAD-PXNSSMCTSA-N 2 2 357.498 2.218 50 0 FEAALP Nc1nc(N2CCC[N@H+](Cc3cccs3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244659522 548891888 /nfs/dbraw/zinc/89/18/88/548891888.db2.gz HEEIDDHNYPYUEI-OKILXGFUSA-N 3 2 358.515 2.037 50 0 FEAALP Nc1nc(N2CCC[N@@H+](Cc3cccs3)CC2)cc([C@H]2C[C@@H]([NH3+])C2)[nH+]1 ZINC000244659522 548891890 /nfs/dbraw/zinc/89/18/90/548891890.db2.gz HEEIDDHNYPYUEI-OKILXGFUSA-N 3 2 358.515 2.037 50 0 FEAALP C[NH+](C)C1(CNC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)CC[NH+](C)CC1 ZINC000426598857 559738682 /nfs/dbraw/zinc/73/86/82/559738682.db2.gz LPTGSIPIJCLLCI-QGZVFWFLSA-N 2 2 362.493 2.351 50 0 FEAALP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000174448222 672361236 /nfs/dbraw/zinc/36/12/36/672361236.db2.gz RYNZMHJWKJQBFK-SFHVURJKSA-N 2 2 365.905 2.141 50 0 FEAALP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000174448222 672361238 /nfs/dbraw/zinc/36/12/38/672361238.db2.gz RYNZMHJWKJQBFK-SFHVURJKSA-N 2 2 365.905 2.141 50 0 FEAALP C[N@@H+]1CCCN(C[C@H]2CCC[NH+]2Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000299800430 210039115 /nfs/dbraw/zinc/03/91/15/210039115.db2.gz SKONMKDHQHHABM-OAQYLSRUSA-N 3 2 356.558 2.411 50 0 FEAALP C[N@H+]1CCCN(C[C@H]2CCC[NH+]2Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000299800430 210039118 /nfs/dbraw/zinc/03/91/18/210039118.db2.gz SKONMKDHQHHABM-OAQYLSRUSA-N 3 2 356.558 2.411 50 0 FEAALP C[NH+]1CCCN(C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000299800430 210039128 /nfs/dbraw/zinc/03/91/28/210039128.db2.gz SKONMKDHQHHABM-OAQYLSRUSA-N 3 2 356.558 2.411 50 0 FEAALP C[NH+]1CCCN(C[C@H]2CCC[N@H+]2Cc2ccccc2)CC12CC[NH2+]CC2 ZINC000299800430 210039130 /nfs/dbraw/zinc/03/91/30/210039130.db2.gz SKONMKDHQHHABM-OAQYLSRUSA-N 3 2 356.558 2.411 50 0 FEAALP COc1cccc(-n2cc(CNc3cc(C4CC([NH3+])C4)[nH+]c(N)n3)cn2)c1 ZINC000223796810 222794978 /nfs/dbraw/zinc/79/49/78/222794978.db2.gz KKCVRAYXYPFGCB-UHFFFAOYSA-N 2 2 365.441 2.070 50 0 FEAALP O=C1NC[C@]2(CCC[N@H+](Cc3ccccc3OCCn3cc[nH+]c3)CC2)O1 ZINC000072140294 541786075 /nfs/dbraw/zinc/78/60/75/541786075.db2.gz FSZCDPZUPDZKND-HXUWFJFHSA-N 2 2 370.453 2.427 50 0 FEAALP O=C1NC[C@]2(CCC[N@@H+](Cc3ccccc3OCCn3cc[nH+]c3)CC2)O1 ZINC000072140294 541786077 /nfs/dbraw/zinc/78/60/77/541786077.db2.gz FSZCDPZUPDZKND-HXUWFJFHSA-N 2 2 370.453 2.427 50 0 FEAALP C[NH+](C)C[C@@H]1COCC[N@H+](Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072163146 541792868 /nfs/dbraw/zinc/79/28/68/541792868.db2.gz IFVPJDYBMONNHX-KRWDZBQOSA-N 2 2 365.481 2.406 50 0 FEAALP C[NH+](C)C[C@@H]1COCC[N@@H+](Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072163146 541792870 /nfs/dbraw/zinc/79/28/70/541792870.db2.gz IFVPJDYBMONNHX-KRWDZBQOSA-N 2 2 365.481 2.406 50 0 FEAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000072419581 541808261 /nfs/dbraw/zinc/80/82/61/541808261.db2.gz VJWMTHPMDOVVNY-QGZVFWFLSA-N 3 2 360.550 2.075 50 0 FEAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000072419581 541808262 /nfs/dbraw/zinc/80/82/62/541808262.db2.gz VJWMTHPMDOVVNY-QGZVFWFLSA-N 3 2 360.550 2.075 50 0 FEAALP Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000072419581 541808265 /nfs/dbraw/zinc/80/82/65/541808265.db2.gz VJWMTHPMDOVVNY-QGZVFWFLSA-N 2 2 360.550 2.075 50 0 FEAALP Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000072419581 541808267 /nfs/dbraw/zinc/80/82/67/541808267.db2.gz VJWMTHPMDOVVNY-QGZVFWFLSA-N 2 2 360.550 2.075 50 0 FEAALP COc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)c1 ZINC000072420984 541808849 /nfs/dbraw/zinc/80/88/49/541808849.db2.gz NTTSSUYFSGQAJH-AWEZNQCLSA-N 2 2 361.465 2.404 50 0 FEAALP COc1ccc(F)c(C[N@H+]2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)c1 ZINC000072420984 541808851 /nfs/dbraw/zinc/80/88/51/541808851.db2.gz NTTSSUYFSGQAJH-AWEZNQCLSA-N 2 2 361.465 2.404 50 0 FEAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccnc2N)C1 ZINC000072425655 541810686 /nfs/dbraw/zinc/81/06/86/541810686.db2.gz UGXJTCUPUSMTQR-KRWDZBQOSA-N 2 2 369.517 2.158 50 0 FEAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000072425655 541810689 /nfs/dbraw/zinc/81/06/89/541810689.db2.gz UGXJTCUPUSMTQR-KRWDZBQOSA-N 2 2 369.517 2.158 50 0 FEAALP Cc1cc(N2C[C@H]3OC(=O)N(CC[NH+]4CCCCC4)[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000012711154 220019263 /nfs/dbraw/zinc/01/92/63/220019263.db2.gz URMZQNDOSATMMY-DLBZAZTESA-N 2 2 373.501 2.404 50 0 FEAALP O=C1CCCN1c1ccc(N2CCC([NH2+]CCc3c[nH]c[nH+]3)CC2)cc1 ZINC000019146216 211204953 /nfs/dbraw/zinc/20/49/53/211204953.db2.gz PWFNZIJPTUAJIU-UHFFFAOYSA-N 2 2 353.470 2.338 50 0 FEAALP O=C1CCCN1c1ccc(N2CCC([NH2+]CCc3c[nH+]c[nH]3)CC2)cc1 ZINC000019146216 211204955 /nfs/dbraw/zinc/20/49/55/211204955.db2.gz PWFNZIJPTUAJIU-UHFFFAOYSA-N 2 2 353.470 2.338 50 0 FEAALP Cc1cccnc1C[NH+]1CCN(C(=O)c2ccccc2[C@H]2CC[NH2+]C2)CC1 ZINC000077321040 542366997 /nfs/dbraw/zinc/36/69/97/542366997.db2.gz JUSMVAYJZDTBHE-SFHVURJKSA-N 2 2 364.493 2.425 50 0 FEAALP Cc1cc(N2CCOC[C@](O)(C[NH+]3CCCC3)C2)nc(-c2ccccc2)[nH+]1 ZINC000077356847 542371801 /nfs/dbraw/zinc/37/18/01/542371801.db2.gz YZMZAXXNVFFVJF-NRFANRHFSA-N 2 2 368.481 2.116 50 0 FEAALP C[N@H+](CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000067696920 221273559 /nfs/dbraw/zinc/27/35/59/221273559.db2.gz DJMFLYNQECMGJR-GOSISDBHSA-N 2 2 365.905 2.266 50 0 FEAALP C[N@@H+](CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000067696920 221273561 /nfs/dbraw/zinc/27/35/61/221273561.db2.gz DJMFLYNQECMGJR-GOSISDBHSA-N 2 2 365.905 2.266 50 0 FEAALP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000067773905 221284140 /nfs/dbraw/zinc/28/41/40/221284140.db2.gz ISRMTXNKVSPVLK-QGZVFWFLSA-N 2 2 356.514 2.345 50 0 FEAALP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1 ZINC000067773905 221284143 /nfs/dbraw/zinc/28/41/43/221284143.db2.gz ISRMTXNKVSPVLK-QGZVFWFLSA-N 2 2 356.514 2.345 50 0 FEAALP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)[nH+]1 ZINC000071753021 221364236 /nfs/dbraw/zinc/36/42/36/221364236.db2.gz YUWZCCMOFBYQDM-QGZVFWFLSA-N 3 2 361.534 2.261 50 0 FEAALP Cc1c[nH]c(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)[nH+]1 ZINC000071753021 221364239 /nfs/dbraw/zinc/36/42/39/221364239.db2.gz YUWZCCMOFBYQDM-QGZVFWFLSA-N 3 2 361.534 2.261 50 0 FEAALP c1nc(N2CCOCC2)ncc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077436795 132184862 /nfs/dbraw/zinc/18/48/62/132184862.db2.gz DGLOMGFTOOAHHS-LJQANCHMSA-N 2 2 359.518 2.154 50 0 FEAALP c1nc(N2CCOCC2)ncc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000077436795 132184863 /nfs/dbraw/zinc/18/48/63/132184863.db2.gz DGLOMGFTOOAHHS-LJQANCHMSA-N 2 2 359.518 2.154 50 0 FEAALP CNc1cc[nH+]c(N2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)n1 ZINC000077456274 132186085 /nfs/dbraw/zinc/18/60/85/132186085.db2.gz OKNLTZIDAXPDMN-UHFFFAOYSA-N 2 2 370.505 2.017 50 0 FEAALP Cc1cccc(N2CC[NH+](CCC(=O)NCc3c[nH+]cn3C3CC3)CC2)c1 ZINC000095368914 132208700 /nfs/dbraw/zinc/20/87/00/132208700.db2.gz JXAHHOTWLNYCEI-UHFFFAOYSA-N 2 2 367.497 2.355 50 0 FEAALP Nc1nc(NC2CCN(c3ccc(F)cc3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223722563 132280120 /nfs/dbraw/zinc/28/01/20/132280120.db2.gz MLSZYSQFYRVGQY-UHFFFAOYSA-N 2 2 356.449 2.484 50 0 FEAALP CC[C@H](C(=O)N(C)C)[NH+]1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091288937 542803870 /nfs/dbraw/zinc/80/38/70/542803870.db2.gz ZEHHUJUYISOZMI-MRXNPFEDSA-N 2 2 361.515 2.434 50 0 FEAALP CCCCc1[nH]c(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC)CC3)c[nH+]1 ZINC000091746493 542823658 /nfs/dbraw/zinc/82/36/58/542823658.db2.gz LVCIVUOARZEJTJ-FQEVSTJZSA-N 2 2 361.534 2.271 50 0 FEAALP CCCCc1[nH]c(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC)CC3)c[nH+]1 ZINC000091746493 542823659 /nfs/dbraw/zinc/82/36/59/542823659.db2.gz LVCIVUOARZEJTJ-FQEVSTJZSA-N 2 2 361.534 2.271 50 0 FEAALP CCCCc1[nH]cc(CN2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC)CC3)[nH+]1 ZINC000091746493 542823661 /nfs/dbraw/zinc/82/36/61/542823661.db2.gz LVCIVUOARZEJTJ-FQEVSTJZSA-N 2 2 361.534 2.271 50 0 FEAALP CCCCc1[nH]cc(CN2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC)CC3)[nH+]1 ZINC000091746493 542823664 /nfs/dbraw/zinc/82/36/64/542823664.db2.gz LVCIVUOARZEJTJ-FQEVSTJZSA-N 2 2 361.534 2.271 50 0 FEAALP O=C(C1CC[NH+](Cc2ccco2)CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000095369046 542962163 /nfs/dbraw/zinc/96/21/63/542962163.db2.gz HTICSEZPTKZNOL-UHFFFAOYSA-N 2 2 368.481 2.231 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC[C@@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072456900 136148428 /nfs/dbraw/zinc/14/84/28/136148428.db2.gz IGTGDOLLZHYVLF-FQEVSTJZSA-N 2 2 359.518 2.118 50 0 FEAALP CCc1[nH+]c2ccccc2n1[C@@H](CC)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000095390267 542968306 /nfs/dbraw/zinc/96/83/06/542968306.db2.gz JKAAKGUYGNQBBJ-KRWDZBQOSA-N 2 2 358.486 2.123 50 0 FEAALP CC[NH+]1CCN(C(=O)CCC2CC[NH+](Cc3nccs3)CC2)CC1 ZINC000095516751 542978137 /nfs/dbraw/zinc/97/81/37/542978137.db2.gz GWNKHLPRNDHMCM-UHFFFAOYSA-N 2 2 350.532 2.299 50 0 FEAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2cc(F)ccc2-n2cccn2)CC1 ZINC000097492363 222184737 /nfs/dbraw/zinc/18/47/37/222184737.db2.gz FWICIEUJPUOWMS-UHFFFAOYSA-N 2 2 355.417 2.235 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCN(Cc3ccc(F)cc3Cl)C[C@H]2CCO)CC1 ZINC000104402842 222358419 /nfs/dbraw/zinc/35/84/19/222358419.db2.gz WZZUYULGOGSGTR-GOSISDBHSA-N 2 2 369.912 2.442 50 0 FEAALP C[NH+]1CCC([N@H+]2CCN(Cc3ccc(F)cc3Cl)C[C@H]2CCO)CC1 ZINC000104402842 222358421 /nfs/dbraw/zinc/35/84/21/222358421.db2.gz WZZUYULGOGSGTR-GOSISDBHSA-N 2 2 369.912 2.442 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCN(c3ncccc3C(F)(F)F)C[C@@H]2CCO)CC1 ZINC000072477906 536339774 /nfs/dbraw/zinc/33/97/74/536339774.db2.gz GIBCYFWFVPMNGA-HNNXBMFYSA-N 2 2 372.435 2.068 50 0 FEAALP C[NH+]1CCC([N@H+]2CCN(c3ncccc3C(F)(F)F)C[C@@H]2CCO)CC1 ZINC000072477906 536339776 /nfs/dbraw/zinc/33/97/76/536339776.db2.gz GIBCYFWFVPMNGA-HNNXBMFYSA-N 2 2 372.435 2.068 50 0 FEAALP Cc1ccccc1CN(C[C@H]1CCCO1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000215648069 548672610 /nfs/dbraw/zinc/67/26/10/548672610.db2.gz PLYKVSXJDATMGD-HXUWFJFHSA-N 2 2 359.514 2.186 50 0 FEAALP Cc1ccccc1CN(C[C@H]1CCCO1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000215648069 548672614 /nfs/dbraw/zinc/67/26/14/548672614.db2.gz PLYKVSXJDATMGD-HXUWFJFHSA-N 2 2 359.514 2.186 50 0 FEAALP CCOc1cc(CN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)ccc1OC ZINC000219132069 548692695 /nfs/dbraw/zinc/69/26/95/548692695.db2.gz AJINNDUDWSQCMP-UHFFFAOYSA-N 2 2 357.458 2.307 50 0 FEAALP COc1cccc(F)c1C[N@@H+]1CCCn2nc([C@H](O)C[NH+](C)C)cc2C1 ZINC000221244158 548703919 /nfs/dbraw/zinc/70/39/19/548703919.db2.gz RWCSXCFAFQIWFW-GOSISDBHSA-N 2 2 362.449 2.032 50 0 FEAALP CCc1[nH+]c2ccccc2n1CCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000243900877 548890085 /nfs/dbraw/zinc/89/00/85/548890085.db2.gz AWSIUIIWGBYJMG-UHFFFAOYSA-N 2 2 358.486 2.216 50 0 FEAALP CCCOCC[NH+]1CCN(C(=O)c2cccc(-c3c[nH+]ccc3N)c2)CC1 ZINC000426740653 559741246 /nfs/dbraw/zinc/74/12/46/559741246.db2.gz XHOLIXOOBLCTBV-UHFFFAOYSA-N 2 2 368.481 2.346 50 0 FEAALP CCC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000534579720 562537139 /nfs/dbraw/zinc/53/71/39/562537139.db2.gz IYRQMCYLPRUXIQ-LJQANCHMSA-N 2 2 374.529 2.397 50 0 FEAALP CCC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000534579720 562537140 /nfs/dbraw/zinc/53/71/40/562537140.db2.gz IYRQMCYLPRUXIQ-LJQANCHMSA-N 2 2 374.529 2.397 50 0 FEAALP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000653090088 570614334 /nfs/dbraw/zinc/61/43/34/570614334.db2.gz DWBKQYHSWZACSU-CQSZACIVSA-N 2 2 355.364 2.109 50 0 FEAALP CCCC[N@@H+]1CCn2nc(CNC(=O)N[C@H](C)c3[nH]cc(C)[nH+]3)cc2C1 ZINC000584891386 571314642 /nfs/dbraw/zinc/31/46/42/571314642.db2.gz LIPXWGUEKOUDRD-CQSZACIVSA-N 2 2 359.478 2.091 50 0 FEAALP CCCC[N@H+]1CCn2nc(CNC(=O)N[C@H](C)c3[nH]cc(C)[nH+]3)cc2C1 ZINC000584891386 571314643 /nfs/dbraw/zinc/31/46/43/571314643.db2.gz LIPXWGUEKOUDRD-CQSZACIVSA-N 2 2 359.478 2.091 50 0 FEAALP C[N@H+](CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000003178782 539359544 /nfs/dbraw/zinc/35/95/44/539359544.db2.gz UNNSFYHJUJHHKT-UHFFFAOYSA-N 2 2 373.950 2.423 50 0 FEAALP C[N@@H+](CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000003178782 539359547 /nfs/dbraw/zinc/35/95/47/539359547.db2.gz UNNSFYHJUJHHKT-UHFFFAOYSA-N 2 2 373.950 2.423 50 0 FEAALP CN(CC[NH+]1CCO[C@@H]2CCCC[C@@H]21)CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000221948607 210173879 /nfs/dbraw/zinc/17/38/79/210173879.db2.gz MARNIHIDPVBCJS-UWHLTILDSA-N 2 2 365.562 2.205 50 0 FEAALP CCOC(=O)c1c[nH+]c2c(C)cccc2c1NCCC[NH+]1CCOCC1 ZINC000005958517 539419768 /nfs/dbraw/zinc/41/97/68/539419768.db2.gz STOGPKPFDLLBDD-UHFFFAOYSA-N 2 2 357.454 2.276 50 0 FEAALP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025413264 539759792 /nfs/dbraw/zinc/75/97/92/539759792.db2.gz CBIYNIISAKDDAK-FGTMMUONSA-N 2 2 359.514 2.265 50 0 FEAALP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025413264 539759797 /nfs/dbraw/zinc/75/97/97/539759797.db2.gz CBIYNIISAKDDAK-FGTMMUONSA-N 2 2 359.514 2.265 50 0 FEAALP CCCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000034906610 539978372 /nfs/dbraw/zinc/97/83/72/539978372.db2.gz FBIIVLWIHLLNAI-UHFFFAOYSA-N 2 2 357.502 2.341 50 0 FEAALP Cc1nc[nH]c1C[NH+]1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000077341479 542369211 /nfs/dbraw/zinc/36/92/11/542369211.db2.gz ANPISYVGWDOOGW-UHFFFAOYSA-N 2 2 357.506 2.212 50 0 FEAALP C[NH+](C)[C@H]1CCN(C(=O)c2cc3n(n2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000065493791 221226180 /nfs/dbraw/zinc/22/61/80/221226180.db2.gz DCOMEBLMVCUXSM-SFHVURJKSA-N 2 2 367.497 2.065 50 0 FEAALP C[NH+](C)[C@H]1CCN(C(=O)c2cc3n(n2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000065493791 221226182 /nfs/dbraw/zinc/22/61/82/221226182.db2.gz DCOMEBLMVCUXSM-SFHVURJKSA-N 2 2 367.497 2.065 50 0 FEAALP C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000071479460 221350046 /nfs/dbraw/zinc/35/00/46/221350046.db2.gz RENGSIVATYLJSW-KRWDZBQOSA-N 2 2 350.422 2.311 50 0 FEAALP C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000071479460 221350049 /nfs/dbraw/zinc/35/00/49/221350049.db2.gz RENGSIVATYLJSW-KRWDZBQOSA-N 2 2 350.422 2.311 50 0 FEAALP Nc1nc(N2CCN(c3cccc(Cl)c3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223559073 132279759 /nfs/dbraw/zinc/27/97/59/132279759.db2.gz MVIQSWNQJURCOQ-UHFFFAOYSA-N 2 2 358.877 2.244 50 0 FEAALP Cc1cc(N2CC[NH+](Cc3nc(-c4ccccn4)no3)CC2)cc(C)[nH+]1 ZINC000055099183 136126050 /nfs/dbraw/zinc/12/60/50/136126050.db2.gz LNGPLBBKTRFQHP-UHFFFAOYSA-N 2 2 350.426 2.466 50 0 FEAALP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc([C@H]2CCC[NH2+]2)s1 ZINC000067690691 136137420 /nfs/dbraw/zinc/13/74/20/136137420.db2.gz AWVVLONSWKCNMQ-OAHLLOKOSA-N 2 2 372.494 2.334 50 0 FEAALP OCC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1Cc1ccccc1F ZINC000072407534 136145153 /nfs/dbraw/zinc/14/51/53/136145153.db2.gz WXKBDNDRIYFRFZ-HNNXBMFYSA-N 2 2 355.417 2.170 50 0 FEAALP OCC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1Cc1ccccc1F ZINC000072407534 136145154 /nfs/dbraw/zinc/14/51/54/136145154.db2.gz WXKBDNDRIYFRFZ-HNNXBMFYSA-N 2 2 355.417 2.170 50 0 FEAALP C[NH2+]CCN1C(=O)CC[C@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)CC[C@H]21 ZINC000072477932 136149579 /nfs/dbraw/zinc/14/95/79/136149579.db2.gz OTFCLZLNHDSVIX-GXTWGEPZSA-N 2 2 356.392 2.137 50 0 FEAALP COc1cc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)ccn1 ZINC000095504490 542975928 /nfs/dbraw/zinc/97/59/28/542975928.db2.gz ICUDOPDHTAAIDM-KRWDZBQOSA-N 2 2 371.485 2.258 50 0 FEAALP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000108395601 543288880 /nfs/dbraw/zinc/28/88/80/543288880.db2.gz BWCRJRATABFZQV-VQTJNVASSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000108395601 543288882 /nfs/dbraw/zinc/28/88/82/543288882.db2.gz BWCRJRATABFZQV-VQTJNVASSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@H](CNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000108395601 543288885 /nfs/dbraw/zinc/28/88/85/543288885.db2.gz BWCRJRATABFZQV-VQTJNVASSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@H](CNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000108395601 543288887 /nfs/dbraw/zinc/28/88/87/543288887.db2.gz BWCRJRATABFZQV-VQTJNVASSA-N 3 2 360.546 2.212 50 0 FEAALP CCN1CC[NH+](CCOc2ccc(C[N@@H+]3CCC[C@@](C)(O)C3)cc2)CC1 ZINC000216394333 521683455 /nfs/dbraw/zinc/68/34/55/521683455.db2.gz VXDKDHXKMJSCCR-OAQYLSRUSA-N 2 2 361.530 2.050 50 0 FEAALP CCN1CC[NH+](CCOc2ccc(C[N@H+]3CCC[C@@](C)(O)C3)cc2)CC1 ZINC000216394333 521683456 /nfs/dbraw/zinc/68/34/56/521683456.db2.gz VXDKDHXKMJSCCR-OAQYLSRUSA-N 2 2 361.530 2.050 50 0 FEAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)COc2ccccc2)CC1 ZINC000091364815 521819842 /nfs/dbraw/zinc/81/98/42/521819842.db2.gz VADIMAFVQGGFSI-UHFFFAOYSA-N 2 2 356.470 2.230 50 0 FEAALP CCc1nc(C)sc1C[N@@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091694818 522241542 /nfs/dbraw/zinc/24/15/42/522241542.db2.gz WMJGNDZDXHUASQ-AEFFLSMTSA-N 2 2 367.559 2.309 50 0 FEAALP CCc1nc(C)sc1C[N@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](CCCO)C1 ZINC000091694818 522241551 /nfs/dbraw/zinc/24/15/51/522241551.db2.gz WMJGNDZDXHUASQ-AEFFLSMTSA-N 2 2 367.559 2.309 50 0 FEAALP Cc1cccc([C@H](C(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)[NH+](C)C)c1 ZINC000091536429 524858852 /nfs/dbraw/zinc/85/88/52/524858852.db2.gz SOSZHFBWAQWALV-HXUWFJFHSA-N 2 2 372.557 2.274 50 0 FEAALP Cc1cccc([C@H](C(=O)NCC2(N3CC[NH+](C)CC3)CCCC2)[NH+](C)C)c1 ZINC000091536429 524858858 /nfs/dbraw/zinc/85/88/58/524858858.db2.gz SOSZHFBWAQWALV-HXUWFJFHSA-N 2 2 372.557 2.274 50 0 FEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000097815041 524906995 /nfs/dbraw/zinc/90/69/95/524906995.db2.gz UQRMXOPDNXFUKF-MRXNPFEDSA-N 2 2 365.905 2.123 50 0 FEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000097815041 524907007 /nfs/dbraw/zinc/90/70/07/524907007.db2.gz UQRMXOPDNXFUKF-MRXNPFEDSA-N 2 2 365.905 2.123 50 0 FEAALP c1cn(Cc2ccccc2)c([C@@H]2CCC[N@@H+](CCCn3cnnn3)C2)[nH+]1 ZINC000082107086 526535352 /nfs/dbraw/zinc/53/53/52/526535352.db2.gz MTZKOLSVOSOGCR-GOSISDBHSA-N 2 2 351.458 2.188 50 0 FEAALP c1cn(Cc2ccccc2)c([C@@H]2CCC[N@H+](CCCn3cnnn3)C2)[nH+]1 ZINC000082107086 526535357 /nfs/dbraw/zinc/53/53/57/526535357.db2.gz MTZKOLSVOSOGCR-GOSISDBHSA-N 2 2 351.458 2.188 50 0 FEAALP CCCc1cc(N2CC[C@](O)(C[NH+]3CCOCC3)C(C)(C)C2)nc(C)[nH+]1 ZINC000091876411 535400841 /nfs/dbraw/zinc/40/08/41/535400841.db2.gz CWAGZRNSIYJGFN-FQEVSTJZSA-N 2 2 362.518 2.037 50 0 FEAALP CC1CC[NH+](CCCNC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000584903190 570510025 /nfs/dbraw/zinc/51/00/25/570510025.db2.gz NQJGKKIKBFTVAD-UHFFFAOYSA-N 2 2 374.529 2.341 50 0 FEAALP C[NH2+]Cc1nnc(SCc2cn3cc(C)ccc3[nH+]2)n1C[C@@H]1CCCO1 ZINC000426361444 571215463 /nfs/dbraw/zinc/21/54/63/571215463.db2.gz WKEXUJXCQZOWBD-HNNXBMFYSA-N 2 2 372.498 2.425 50 0 FEAALP CCCC[N@@H+]1CCn2nc(CNC(=O)N[C@@H](C)c3[nH]cc(C)[nH+]3)cc2C1 ZINC000584891385 571314680 /nfs/dbraw/zinc/31/46/80/571314680.db2.gz LIPXWGUEKOUDRD-AWEZNQCLSA-N 2 2 359.478 2.091 50 0 FEAALP CCCC[N@H+]1CCn2nc(CNC(=O)N[C@@H](C)c3[nH]cc(C)[nH+]3)cc2C1 ZINC000584891385 571314682 /nfs/dbraw/zinc/31/46/82/571314682.db2.gz LIPXWGUEKOUDRD-AWEZNQCLSA-N 2 2 359.478 2.091 50 0 FEAALP CCCc1nc(N[C@@H]2CC[N@H+](Cc3c(C)noc3C)C[C@H]2O)cc(C)[nH+]1 ZINC000299788972 210031668 /nfs/dbraw/zinc/03/16/68/210031668.db2.gz XSIWLBKXLMGRAV-IAGOWNOFSA-N 2 2 359.474 2.390 50 0 FEAALP CCCc1nc(N[C@@H]2CC[N@@H+](Cc3c(C)noc3C)C[C@H]2O)cc(C)[nH+]1 ZINC000299788972 210031671 /nfs/dbraw/zinc/03/16/71/210031671.db2.gz XSIWLBKXLMGRAV-IAGOWNOFSA-N 2 2 359.474 2.390 50 0 FEAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000072422565 541808817 /nfs/dbraw/zinc/80/88/17/541808817.db2.gz BRLHCJSCNJXKQL-AWEZNQCLSA-N 2 2 359.522 2.277 50 0 FEAALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000072422565 541808819 /nfs/dbraw/zinc/80/88/19/541808819.db2.gz BRLHCJSCNJXKQL-AWEZNQCLSA-N 2 2 359.522 2.277 50 0 FEAALP CCn1cc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000072424571 541809899 /nfs/dbraw/zinc/80/98/99/541809899.db2.gz NIZPPWVESNHMDW-QGZVFWFLSA-N 2 2 357.506 2.007 50 0 FEAALP CCn1cc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000072424571 541809903 /nfs/dbraw/zinc/80/99/03/541809903.db2.gz NIZPPWVESNHMDW-QGZVFWFLSA-N 2 2 357.506 2.007 50 0 FEAALP CC(C)C[N@@H+]1CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)C[C@H]1CCO ZINC000072427957 541811641 /nfs/dbraw/zinc/81/16/41/541811641.db2.gz CUIGZAKADSDOLR-MRXNPFEDSA-N 2 2 356.470 2.242 50 0 FEAALP CC(C)C[N@H+]1CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)C[C@H]1CCO ZINC000072427957 541811645 /nfs/dbraw/zinc/81/16/45/541811645.db2.gz CUIGZAKADSDOLR-MRXNPFEDSA-N 2 2 356.470 2.242 50 0 FEAALP c1[nH]c(C[N@@H+]2CCc3nc(CC4CC4)nc(N4CCCC4)c3CC2)c[nH+]1 ZINC000072473138 541818327 /nfs/dbraw/zinc/81/83/27/541818327.db2.gz LUMQCGAVOLIEKJ-UHFFFAOYSA-N 2 2 352.486 2.353 50 0 FEAALP c1[nH]c(C[N@H+]2CCc3nc(CC4CC4)nc(N4CCCC4)c3CC2)c[nH+]1 ZINC000072473138 541818328 /nfs/dbraw/zinc/81/83/28/541818328.db2.gz LUMQCGAVOLIEKJ-UHFFFAOYSA-N 2 2 352.486 2.353 50 0 FEAALP c1cn(Cc2[nH+]ccn2Cc2ccccc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072447724 541815849 /nfs/dbraw/zinc/81/58/49/541815849.db2.gz NDCFJLFXMMFSDC-UHFFFAOYSA-N 2 2 359.437 2.143 50 0 FEAALP C[NH+]1CCC([N@H+]2CCN(Cc3c(F)cccc3Cl)C[C@@H]2CCO)CC1 ZINC000022913726 211368460 /nfs/dbraw/zinc/36/84/60/211368460.db2.gz UYTDCWKNNKZCGN-INIZCTEOSA-N 2 2 369.912 2.442 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCN(Cc3c(F)cccc3Cl)C[C@@H]2CCO)CC1 ZINC000022913726 211368456 /nfs/dbraw/zinc/36/84/56/211368456.db2.gz UYTDCWKNNKZCGN-INIZCTEOSA-N 2 2 369.912 2.442 50 0 FEAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cccc(CC[NH3+])c2)CC1 ZINC000077406207 542378548 /nfs/dbraw/zinc/37/85/48/542378548.db2.gz NWSLYORPTPGGFP-UHFFFAOYSA-N 3 2 370.545 2.240 50 0 FEAALP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077407035 542379066 /nfs/dbraw/zinc/37/90/66/542379066.db2.gz BEXIEHVWIIGYBM-NRFANRHFSA-N 2 2 370.497 2.184 50 0 FEAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000067713276 221275371 /nfs/dbraw/zinc/27/53/71/221275371.db2.gz WXDZQEAVBNYZKU-HNNXBMFYSA-N 2 2 373.363 2.061 50 0 FEAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CC=CC1 ZINC000071759657 221367108 /nfs/dbraw/zinc/36/71/08/221367108.db2.gz FEKNYJYFEVRBPR-LJQANCHMSA-N 2 2 354.498 2.156 50 0 FEAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CC=CC1 ZINC000071759657 221367109 /nfs/dbraw/zinc/36/71/09/221367109.db2.gz FEKNYJYFEVRBPR-LJQANCHMSA-N 2 2 354.498 2.156 50 0 FEAALP Cc1ccc(CSc2nc(N3CC[NH+](CCCO)CC3)cc(N)[nH+]2)cc1 ZINC000095372411 132208895 /nfs/dbraw/zinc/20/88/95/132208895.db2.gz UPFKTZRCKMRJMK-UHFFFAOYSA-N 2 2 373.526 2.164 50 0 FEAALP CNc1cc(C)[nH+]c(N2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)n1 ZINC000106960345 132266098 /nfs/dbraw/zinc/26/60/98/132266098.db2.gz UQYFEKZKBCKQFA-GOSISDBHSA-N 2 2 355.486 2.208 50 0 FEAALP CNc1cc(C)[nH+]c(N2CC[N@@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)n1 ZINC000106960345 132266099 /nfs/dbraw/zinc/26/60/99/132266099.db2.gz UQYFEKZKBCKQFA-GOSISDBHSA-N 2 2 355.486 2.208 50 0 FEAALP Cc1c[nH+]c(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071765210 136140931 /nfs/dbraw/zinc/14/09/31/136140931.db2.gz WDXCDGXSNWUNJE-GOSISDBHSA-N 2 2 371.529 2.397 50 0 FEAALP Cc1c[nH+]c(C)nc1N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071765210 136140932 /nfs/dbraw/zinc/14/09/32/136140932.db2.gz WDXCDGXSNWUNJE-GOSISDBHSA-N 2 2 371.529 2.397 50 0 FEAALP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000095377771 542964580 /nfs/dbraw/zinc/96/45/80/542964580.db2.gz OLBGDJVWYILWSX-LJQANCHMSA-N 2 2 359.514 2.474 50 0 FEAALP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000095377771 542964583 /nfs/dbraw/zinc/96/45/83/542964583.db2.gz OLBGDJVWYILWSX-LJQANCHMSA-N 2 2 359.514 2.474 50 0 FEAALP O=C(CCC[NH+]1CCOCC1)N1CCC[C@@H](c2[nH+]ccn2CC2CC2)C1 ZINC000095500705 542974068 /nfs/dbraw/zinc/97/40/68/542974068.db2.gz WQMQZNCXTWSNJX-GOSISDBHSA-N 2 2 360.502 2.112 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccccc2O)C1 ZINC000095507815 542977192 /nfs/dbraw/zinc/97/71/92/542977192.db2.gz ZILTYQHNOVZLMR-SFHVURJKSA-N 2 2 370.497 2.489 50 0 FEAALP O=C(C[NH+]1CCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095511973 542977520 /nfs/dbraw/zinc/97/75/20/542977520.db2.gz VWJZKNJXYQAUQB-KRWDZBQOSA-N 2 2 353.470 2.128 50 0 FEAALP O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095511972 542977831 /nfs/dbraw/zinc/97/78/31/542977831.db2.gz VWJZKNJXYQAUQB-QGZVFWFLSA-N 2 2 353.470 2.128 50 0 FEAALP Cc1[nH+]cc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2ccoc2)C[C@@H]3CO)n1C ZINC000097797398 222212959 /nfs/dbraw/zinc/21/29/59/222212959.db2.gz ZNRROXCQAUGIMK-LJQANCHMSA-N 3 2 372.513 2.418 50 0 FEAALP Cc1[nH+]cc(C[NH+]2CCC3(CC2)CC[N@@H+](Cc2ccoc2)C[C@@H]3CO)n1C ZINC000097797398 222212963 /nfs/dbraw/zinc/21/29/63/222212963.db2.gz ZNRROXCQAUGIMK-LJQANCHMSA-N 3 2 372.513 2.418 50 0 FEAALP COc1cc(N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)nc(N)[nH+]1 ZINC000095531792 536825193 /nfs/dbraw/zinc/82/51/93/536825193.db2.gz ZDRNZODNCXHDLL-UHFFFAOYSA-N 2 2 365.441 2.091 50 0 FEAALP CCc1n[nH]c2c1C[N@H+](Cc1cccc(OCC[NH+]3CCOCC3)c1)CC2 ZINC000215393779 548670997 /nfs/dbraw/zinc/67/09/97/548670997.db2.gz UOIAODJESAIJHI-UHFFFAOYSA-N 2 2 370.497 2.241 50 0 FEAALP CCc1n[nH]c2c1C[N@@H+](Cc1cccc(OCC[NH+]3CCOCC3)c1)CC2 ZINC000215393779 548671001 /nfs/dbraw/zinc/67/10/01/548671001.db2.gz UOIAODJESAIJHI-UHFFFAOYSA-N 2 2 370.497 2.241 50 0 FEAALP CCc1[nH]nc2c1C[N@H+](Cc1cccc(OCC[NH+]3CCOCC3)c1)CC2 ZINC000215393779 548671003 /nfs/dbraw/zinc/67/10/03/548671003.db2.gz UOIAODJESAIJHI-UHFFFAOYSA-N 2 2 370.497 2.241 50 0 FEAALP CCc1[nH]nc2c1C[N@@H+](Cc1cccc(OCC[NH+]3CCOCC3)c1)CC2 ZINC000215393779 548671005 /nfs/dbraw/zinc/67/10/05/548671005.db2.gz UOIAODJESAIJHI-UHFFFAOYSA-N 2 2 370.497 2.241 50 0 FEAALP COCc1nc(NCc2c[nH+]c3c(C)cccn23)cc(C2CC([NH3+])C2)n1 ZINC000219509138 548695024 /nfs/dbraw/zinc/69/50/24/548695024.db2.gz URVOBIFYGJGCLB-UHFFFAOYSA-N 2 2 352.442 2.396 50 0 FEAALP CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000221271134 548703990 /nfs/dbraw/zinc/70/39/90/548703990.db2.gz MMOYVUKMLCUPIF-UHFFFAOYSA-N 2 2 355.486 2.061 50 0 FEAALP CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000221271134 548703995 /nfs/dbraw/zinc/70/39/95/548703995.db2.gz MMOYVUKMLCUPIF-UHFFFAOYSA-N 2 2 355.486 2.061 50 0 FEAALP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2csc(C[NH3+])n2)C[C@H](C)O1 ZINC000237619612 548839562 /nfs/dbraw/zinc/83/95/62/548839562.db2.gz YSHHOXJZHCDRCS-OKILXGFUSA-N 2 2 374.510 2.141 50 0 FEAALP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2csc(C[NH3+])n2)C[C@H](C)O1 ZINC000237619612 548839564 /nfs/dbraw/zinc/83/95/64/548839564.db2.gz YSHHOXJZHCDRCS-OKILXGFUSA-N 2 2 374.510 2.141 50 0 FEAALP CN(CC[NH+]1CCO[C@@H]2CCCC[C@H]21)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000252512065 549671929 /nfs/dbraw/zinc/67/19/29/549671929.db2.gz MARNIHIDPVBCJS-PLACYPQZSA-N 2 2 365.562 2.205 50 0 FEAALP CN(CC[NH+]1CCO[C@@H]2CCCC[C@H]21)CC[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000252512065 549671933 /nfs/dbraw/zinc/67/19/33/549671933.db2.gz MARNIHIDPVBCJS-PLACYPQZSA-N 2 2 365.562 2.205 50 0 FEAALP CN(CC[NH+]1CCO[C@@H]2CCCC[C@@H]21)CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000252512065 549671935 /nfs/dbraw/zinc/67/19/35/549671935.db2.gz MARNIHIDPVBCJS-PLACYPQZSA-N 2 2 365.562 2.205 50 0 FEAALP CN(CC[NH+]1CCO[C@@H]2CCCC[C@@H]21)CC[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000252512065 549671938 /nfs/dbraw/zinc/67/19/38/549671938.db2.gz MARNIHIDPVBCJS-PLACYPQZSA-N 2 2 365.562 2.205 50 0 FEAALP CC(C)c1csc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](CCO)C2)n1 ZINC000039489643 571089368 /nfs/dbraw/zinc/08/93/68/571089368.db2.gz GLZSORYSHURQFT-QGZVFWFLSA-N 2 2 366.575 2.229 50 0 FEAALP CC(C)c1csc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](CCO)C2)n1 ZINC000039489643 571089369 /nfs/dbraw/zinc/08/93/69/571089369.db2.gz GLZSORYSHURQFT-QGZVFWFLSA-N 2 2 366.575 2.229 50 0 FEAALP Cc1[nH+]c(CNC(=O)c2ccc(Cl)cc2OCCC[NH3+])n(C)c1C ZINC000426445558 571226058 /nfs/dbraw/zinc/22/60/58/571226058.db2.gz MCPLFVVDTLGIFN-UHFFFAOYSA-N 2 2 350.850 2.348 50 0 FEAALP O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCCn1cc[nH+]c1 ZINC000012219218 539550337 /nfs/dbraw/zinc/55/03/37/539550337.db2.gz XCIMLLKYYAYNOK-SFHVURJKSA-N 2 2 374.460 2.462 50 0 FEAALP O=C1CC[N@H+](Cc2cc(F)ccc2F)CCN1CC[NH+]1CCCCC1 ZINC000015004412 539609237 /nfs/dbraw/zinc/60/92/37/539609237.db2.gz OAGOYHNMFAVCDC-UHFFFAOYSA-N 2 2 351.441 2.485 50 0 FEAALP O=C1CC[N@@H+](Cc2cc(F)ccc2F)CCN1CC[NH+]1CCCCC1 ZINC000015004412 539609240 /nfs/dbraw/zinc/60/92/40/539609240.db2.gz OAGOYHNMFAVCDC-UHFFFAOYSA-N 2 2 351.441 2.485 50 0 FEAALP CCCn1cc(C(=O)N2CC[NH+](C3CC[NH+](C)CC3)CC2)c2cccnc21 ZINC000065216808 541228802 /nfs/dbraw/zinc/22/88/02/541228802.db2.gz LWYZDBSDLZRWMS-UHFFFAOYSA-N 2 2 369.513 2.298 50 0 FEAALP COc1ccccc1C(=O)NCCNc1cc(-n2c[nH+]c(C)c2C)nc[nH+]1 ZINC000072446636 541815179 /nfs/dbraw/zinc/81/51/79/541815179.db2.gz ABZOEOMZUCOCBD-UHFFFAOYSA-N 2 2 366.425 2.130 50 0 FEAALP O=C(NCCCn1cc[nH+]c1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000023673192 211393346 /nfs/dbraw/zinc/39/33/46/211393346.db2.gz HXHRKYOPGPONOS-UHFFFAOYSA-N 2 2 361.877 2.454 50 0 FEAALP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000015076568 211119070 /nfs/dbraw/zinc/11/90/70/211119070.db2.gz RTXWFGZQIWDIFV-OAHLLOKOSA-N 2 2 373.950 2.377 50 0 FEAALP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000015076568 211119074 /nfs/dbraw/zinc/11/90/74/211119074.db2.gz RTXWFGZQIWDIFV-OAHLLOKOSA-N 2 2 373.950 2.377 50 0 FEAALP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(C[NH+]2CCc3ccccc3C2)on1 ZINC000067514144 221258471 /nfs/dbraw/zinc/25/84/71/221258471.db2.gz GVZQXTOMYBYTHR-SFHVURJKSA-N 2 2 368.481 2.399 50 0 FEAALP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(C[NH+]2CCc3ccccc3C2)on1 ZINC000067514144 221258472 /nfs/dbraw/zinc/25/84/72/221258472.db2.gz GVZQXTOMYBYTHR-SFHVURJKSA-N 2 2 368.481 2.399 50 0 FEAALP CN(C[C@@H]1CCC[NH+]1C)C(=O)c1cc(C[N@@H+]2CCc3ccccc3C2)on1 ZINC000067514144 221258473 /nfs/dbraw/zinc/25/84/73/221258473.db2.gz GVZQXTOMYBYTHR-SFHVURJKSA-N 2 2 368.481 2.399 50 0 FEAALP CN(C[C@@H]1CCC[NH+]1C)C(=O)c1cc(C[N@H+]2CCc3ccccc3C2)on1 ZINC000067514144 221258476 /nfs/dbraw/zinc/25/84/76/221258476.db2.gz GVZQXTOMYBYTHR-SFHVURJKSA-N 2 2 368.481 2.399 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2cccc(F)c2)[nH+]c(C)n1 ZINC000067603627 221260790 /nfs/dbraw/zinc/26/07/90/221260790.db2.gz ZDWNZIQKVHCNOC-UHFFFAOYSA-N 2 2 354.389 2.260 50 0 FEAALP CC(C)c1[nH+]ccn1Cc1cc(C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)[nH]n1 ZINC000067725633 221277914 /nfs/dbraw/zinc/27/79/14/221277914.db2.gz RTRRHYGOPKTBLC-OAHLLOKOSA-N 2 2 370.501 2.477 50 0 FEAALP CC(C)c1[nH+]ccn1Cc1cc(C(=O)N2CC([N@H+]3CCCC[C@H]3C)C2)[nH]n1 ZINC000067725633 221277917 /nfs/dbraw/zinc/27/79/17/221277917.db2.gz RTRRHYGOPKTBLC-OAHLLOKOSA-N 2 2 370.501 2.477 50 0 FEAALP Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000067868504 221296683 /nfs/dbraw/zinc/29/66/83/221296683.db2.gz OSXDIUHKXXURGZ-UHFFFAOYSA-N 2 2 358.461 2.402 50 0 FEAALP Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000067868504 221296686 /nfs/dbraw/zinc/29/66/86/221296686.db2.gz OSXDIUHKXXURGZ-UHFFFAOYSA-N 2 2 358.461 2.402 50 0 FEAALP COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000071681205 221354012 /nfs/dbraw/zinc/35/40/12/221354012.db2.gz HUAAETDIJKSVHS-AWEZNQCLSA-N 2 2 369.469 2.363 50 0 FEAALP Cc1cc(C)c2c(ncnc2N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000095386099 132210022 /nfs/dbraw/zinc/21/00/22/132210022.db2.gz VYXRUCQEYHOWHK-QGZVFWFLSA-N 2 2 354.502 2.105 50 0 FEAALP Cc1cc(C)c2c(ncnc2N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000095386099 132210023 /nfs/dbraw/zinc/21/00/23/132210023.db2.gz VYXRUCQEYHOWHK-QGZVFWFLSA-N 2 2 354.502 2.105 50 0 FEAALP CCCc1nc(N2CCC([N@@H+]3CC[C@]4(CN(C)C(=O)O4)C3)CC2)cc(C)[nH+]1 ZINC000095499222 132211989 /nfs/dbraw/zinc/21/19/89/132211989.db2.gz UBBIOSHWFVZQSB-FQEVSTJZSA-N 2 2 373.501 2.233 50 0 FEAALP CCCc1nc(N2CCC([N@H+]3CC[C@]4(CN(C)C(=O)O4)C3)CC2)cc(C)[nH+]1 ZINC000095499222 132211990 /nfs/dbraw/zinc/21/19/90/132211990.db2.gz UBBIOSHWFVZQSB-FQEVSTJZSA-N 2 2 373.501 2.233 50 0 FEAALP CCCc1c[nH+]c(C)nc1N1CCC([N@@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000095501238 132212317 /nfs/dbraw/zinc/21/23/17/132212317.db2.gz FNSCTYDCQPDLMY-UHFFFAOYSA-N 2 2 359.518 2.261 50 0 FEAALP CCCc1c[nH+]c(C)nc1N1CCC([N@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000095501238 132212318 /nfs/dbraw/zinc/21/23/18/132212318.db2.gz FNSCTYDCQPDLMY-UHFFFAOYSA-N 2 2 359.518 2.261 50 0 FEAALP C[NH+]1CCC[N@@H+](C)CC12CCN(c1nccc(-c3cccnc3)n1)CC2 ZINC000097653969 132230361 /nfs/dbraw/zinc/23/03/61/132230361.db2.gz IPDMEFVUFSGWNA-UHFFFAOYSA-N 2 2 352.486 2.145 50 0 FEAALP C[NH+]1CCC[N@H+](C)CC12CCN(c1nccc(-c3cccnc3)n1)CC2 ZINC000097653969 132230362 /nfs/dbraw/zinc/23/03/62/132230362.db2.gz IPDMEFVUFSGWNA-UHFFFAOYSA-N 2 2 352.486 2.145 50 0 FEAALP C[NH+]1CCC[N@H+](C)C2(CCN(c3nccc(-c4cccnc4)n3)CC2)C1 ZINC000097653969 132230364 /nfs/dbraw/zinc/23/03/64/132230364.db2.gz IPDMEFVUFSGWNA-UHFFFAOYSA-N 2 2 352.486 2.145 50 0 FEAALP C[NH+]1CCC[N@@H+](C)C2(CCN(c3nccc(-c4cccnc4)n3)CC2)C1 ZINC000097653969 132230367 /nfs/dbraw/zinc/23/03/67/132230367.db2.gz IPDMEFVUFSGWNA-UHFFFAOYSA-N 2 2 352.486 2.145 50 0 FEAALP Cc1ccc2[nH]c(C[NH+]3CCN(C[C@H]4CCC[N@@H+](C)C4)CC3)cc(=O)c2c1 ZINC000091663145 542818769 /nfs/dbraw/zinc/81/87/69/542818769.db2.gz XWWLMVNRAPRYEH-SFHVURJKSA-N 2 2 368.525 2.296 50 0 FEAALP Cc1ccc2[nH]c(C[NH+]3CCN(C[C@H]4CCC[N@H+](C)C4)CC3)cc(=O)c2c1 ZINC000091663145 542818771 /nfs/dbraw/zinc/81/87/71/542818771.db2.gz XWWLMVNRAPRYEH-SFHVURJKSA-N 2 2 368.525 2.296 50 0 FEAALP C[N@@H+]1CCC[C@@H](C(=O)N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)C1 ZINC000091736280 542821912 /nfs/dbraw/zinc/82/19/12/542821912.db2.gz NCEZICZRYHMPPV-LJQANCHMSA-N 2 2 367.497 2.374 50 0 FEAALP C[N@H+]1CCC[C@@H](C(=O)N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)C1 ZINC000091736280 542821916 /nfs/dbraw/zinc/82/19/16/542821916.db2.gz NCEZICZRYHMPPV-LJQANCHMSA-N 2 2 367.497 2.374 50 0 FEAALP CC[C@]1(CO)CCC[N@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000091849259 542829186 /nfs/dbraw/zinc/82/91/86/542829186.db2.gz QTUYVFNULKFBKZ-NRFANRHFSA-N 2 2 362.514 2.382 50 0 FEAALP CC[C@]1(CO)CCC[N@@H+](Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000091849259 542829188 /nfs/dbraw/zinc/82/91/88/542829188.db2.gz QTUYVFNULKFBKZ-NRFANRHFSA-N 2 2 362.514 2.382 50 0 FEAALP C[NH+](C)[C@H](C(=O)N1CC[NH+](CCn2cccc2)CC1)c1ccc(F)cc1 ZINC000095352835 542957700 /nfs/dbraw/zinc/95/77/00/542957700.db2.gz RJLJZOGIVVLGDG-IBGZPJMESA-N 2 2 358.461 2.074 50 0 FEAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000095357648 542959091 /nfs/dbraw/zinc/95/90/91/542959091.db2.gz BIPGSTMKPVLEPI-KRWDZBQOSA-N 2 2 356.470 2.058 50 0 FEAALP C[NH+](C)[C@H](C(=O)NC1(C[NH+]2CCOCC2)CCCC1)c1ccc(F)cc1 ZINC000095364589 542960630 /nfs/dbraw/zinc/96/06/30/542960630.db2.gz DOQRXQOCDSSKQX-SFHVURJKSA-N 2 2 363.477 2.190 50 0 FEAALP O[C@@H](COc1cccc(C[N@@H+]2CCCCC23CC3)c1)C[NH+]1CCOCC1 ZINC000095509281 542976569 /nfs/dbraw/zinc/97/65/69/542976569.db2.gz LVCNNKKOBMDEQT-LJQANCHMSA-N 2 2 360.498 2.277 50 0 FEAALP O[C@@H](COc1cccc(C[N@H+]2CCCCC23CC3)c1)C[NH+]1CCOCC1 ZINC000095509281 542976574 /nfs/dbraw/zinc/97/65/74/542976574.db2.gz LVCNNKKOBMDEQT-LJQANCHMSA-N 2 2 360.498 2.277 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2cncc(F)c2)CC1 ZINC000095386708 221891879 /nfs/dbraw/zinc/89/18/79/221891879.db2.gz FHLVPLXOFYMBND-UHFFFAOYSA-N 2 2 359.449 2.389 50 0 FEAALP COc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)ccc1C ZINC000097551392 222190809 /nfs/dbraw/zinc/19/08/09/222190809.db2.gz GREWWWTZLIUCBP-QGZVFWFLSA-N 2 2 360.502 2.495 50 0 FEAALP COc1cc(NC(=O)N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)ccc1C ZINC000097551392 222190811 /nfs/dbraw/zinc/19/08/11/222190811.db2.gz GREWWWTZLIUCBP-QGZVFWFLSA-N 2 2 360.502 2.495 50 0 FEAALP O=C(Nc1cccc(-c2c[nH]c[nH+]2)c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000097515158 222188276 /nfs/dbraw/zinc/18/82/76/222188276.db2.gz WTQVFWODRNPQGD-UHFFFAOYSA-N 2 2 355.442 2.405 50 0 FEAALP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000085472863 526598244 /nfs/dbraw/zinc/59/82/44/526598244.db2.gz KYSPAHAPWSXEOU-UHFFFAOYSA-N 2 2 361.449 2.268 50 0 FEAALP OC[C@H]1C[N@H+](Cc2ccc(OC3CCCC3)cc2)C[C@H]1C[NH+]1CCOCC1 ZINC000091475514 527620440 /nfs/dbraw/zinc/62/04/40/527620440.db2.gz DDLGBJCUTAYFHC-WOJBJXKFSA-N 2 2 374.525 2.381 50 0 FEAALP OC[C@H]1C[N@@H+](Cc2ccc(OC3CCCC3)cc2)C[C@H]1C[NH+]1CCOCC1 ZINC000091475514 527620446 /nfs/dbraw/zinc/62/04/46/527620446.db2.gz DDLGBJCUTAYFHC-WOJBJXKFSA-N 2 2 374.525 2.381 50 0 FEAALP O=C(C[C@H]1C[NH2+]CCO1)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000215769014 548675100 /nfs/dbraw/zinc/67/51/00/548675100.db2.gz CSTYVTPJOARKSH-GPANFISMSA-N 2 2 356.470 2.331 50 0 FEAALP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000230247859 548759963 /nfs/dbraw/zinc/75/99/63/548759963.db2.gz BWCRJRATABFZQV-WOJBJXKFSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000230247859 548759966 /nfs/dbraw/zinc/75/99/66/548759966.db2.gz BWCRJRATABFZQV-WOJBJXKFSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@H](CNC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000230247859 548759969 /nfs/dbraw/zinc/75/99/69/548759969.db2.gz BWCRJRATABFZQV-WOJBJXKFSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@H](CNC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000230247859 548759973 /nfs/dbraw/zinc/75/99/73/548759973.db2.gz BWCRJRATABFZQV-WOJBJXKFSA-N 3 2 360.546 2.212 50 0 FEAALP CCn1c(C[N@H+](C)CCc2nc3cc(F)ccc3[nH]2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244718991 548893702 /nfs/dbraw/zinc/89/37/02/548893702.db2.gz LUSFUMNILNLXEC-XBXGTLAGSA-N 2 2 371.464 2.193 50 0 FEAALP CCn1c(C[N@@H+](C)CCc2nc3cc(F)ccc3[nH]2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244718991 548893705 /nfs/dbraw/zinc/89/37/05/548893705.db2.gz LUSFUMNILNLXEC-XBXGTLAGSA-N 2 2 371.464 2.193 50 0 FEAALP CCn1c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000248153333 549411760 /nfs/dbraw/zinc/41/17/60/549411760.db2.gz UXVSQGBQTKKEPA-KRWDZBQOSA-N 2 2 369.513 2.042 50 0 FEAALP CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)nc2ccccc21 ZINC000248153333 549411765 /nfs/dbraw/zinc/41/17/65/549411765.db2.gz UXVSQGBQTKKEPA-KRWDZBQOSA-N 2 2 369.513 2.042 50 0 FEAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000047028192 570878734 /nfs/dbraw/zinc/87/87/34/570878734.db2.gz AYIKTQMDPWQHCC-HNNXBMFYSA-N 2 2 374.464 2.374 50 0 FEAALP C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)c(F)c1 ZINC000047028192 570878736 /nfs/dbraw/zinc/87/87/36/570878736.db2.gz AYIKTQMDPWQHCC-HNNXBMFYSA-N 2 2 374.464 2.374 50 0 FEAALP CO[C@]12CC[N@H+](CCc3[nH+]ccn3C)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299784129 210027770 /nfs/dbraw/zinc/02/77/70/210027770.db2.gz WJZJSICKINWOHM-FUHIMQAGSA-N 2 2 356.470 2.449 50 0 FEAALP CO[C@]12CC[N@@H+](CCc3[nH+]ccn3C)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000299784129 210027774 /nfs/dbraw/zinc/02/77/74/210027774.db2.gz WJZJSICKINWOHM-FUHIMQAGSA-N 2 2 356.470 2.449 50 0 FEAALP Cc1[nH+]c2ccccn2c1CC(=O)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000299758307 210011607 /nfs/dbraw/zinc/01/16/07/210011607.db2.gz LISDSESLFWVEIM-SFHVURJKSA-N 2 2 370.497 2.289 50 0 FEAALP CCCn1ccnc1C[NH+]1CCC2(CN(CCC[NH+](C)C)C(=O)O2)CC1 ZINC000072447785 541815857 /nfs/dbraw/zinc/81/58/57/541815857.db2.gz GSOUIFIUFLZGDE-UHFFFAOYSA-N 2 2 363.506 2.032 50 0 FEAALP COc1ccc(Cl)c(C[NH+]2CCC(n3cc(C[NH3+])nn3)CC2)c1F ZINC000023250888 211382188 /nfs/dbraw/zinc/38/21/88/211382188.db2.gz PWLXVYGDMFCSLY-UHFFFAOYSA-N 2 2 353.829 2.375 50 0 FEAALP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)s1 ZINC000020542734 211284702 /nfs/dbraw/zinc/28/47/02/211284702.db2.gz OIEMTOIGRXHDIE-RTBURBONSA-N 2 2 352.544 2.339 50 0 FEAALP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)s1 ZINC000020542734 211284706 /nfs/dbraw/zinc/28/47/06/211284706.db2.gz OIEMTOIGRXHDIE-RTBURBONSA-N 2 2 352.544 2.339 50 0 FEAALP Nc1cc(NC2CC[NH+](Cc3cccc(O)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000065387836 221209646 /nfs/dbraw/zinc/20/96/46/221209646.db2.gz WARUVOGISIIDPR-UHFFFAOYSA-N 2 2 368.485 2.441 50 0 FEAALP Nc1cc(NC2CC[NH+](Cc3cccc(O)c3)CC2)[nH+]c(N2CCCC2)n1 ZINC000065387836 221209647 /nfs/dbraw/zinc/20/96/47/221209647.db2.gz WARUVOGISIIDPR-UHFFFAOYSA-N 2 2 368.485 2.441 50 0 FEAALP CC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCN(c2ccccc2C)CC1 ZINC000067713301 221275158 /nfs/dbraw/zinc/27/51/58/221275158.db2.gz XKPKBVGEKKQSOB-SFHVURJKSA-N 2 2 367.497 2.070 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1ccccc1-c1ncc[nH]1)CCC[N@@H+]2C ZINC000067742747 221280886 /nfs/dbraw/zinc/28/08/86/221280886.db2.gz VHJFCIRKRPDSLT-UHFFFAOYSA-N 2 2 367.497 2.319 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1ccccc1-c1ncc[nH]1)CCC[N@H+]2C ZINC000067742747 221280889 /nfs/dbraw/zinc/28/08/89/221280889.db2.gz VHJFCIRKRPDSLT-UHFFFAOYSA-N 2 2 367.497 2.319 50 0 FEAALP Nc1nc(N2CCC(Oc3ccccc3F)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219777966 132274688 /nfs/dbraw/zinc/27/46/88/132274688.db2.gz GMLURSHPSDSZNS-UHFFFAOYSA-N 2 2 357.433 2.450 50 0 FEAALP Cc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc[nH+]1 ZINC000071416230 136139091 /nfs/dbraw/zinc/13/90/91/136139091.db2.gz DEUCXTHKJUPPGQ-QGZVFWFLSA-N 2 2 357.502 2.088 50 0 FEAALP Cc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc[nH+]1 ZINC000071416230 136139092 /nfs/dbraw/zinc/13/90/92/136139092.db2.gz DEUCXTHKJUPPGQ-QGZVFWFLSA-N 2 2 357.502 2.088 50 0 FEAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000097711608 222207777 /nfs/dbraw/zinc/20/77/77/222207777.db2.gz LQBCFXRIFONDSE-UHFFFAOYSA-N 2 2 355.404 2.492 50 0 FEAALP C[N@H+]1CCCNC(=O)C12CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000097711608 222207779 /nfs/dbraw/zinc/20/77/79/222207779.db2.gz LQBCFXRIFONDSE-UHFFFAOYSA-N 2 2 355.404 2.492 50 0 FEAALP O=C1CC[C@]2(CCC[N@H+](Cc3cccnc3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082106918 526998408 /nfs/dbraw/zinc/99/84/08/526998408.db2.gz KKYSEUGSOROIBC-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@]2(CCC[N@@H+](Cc3cccnc3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082106918 526998412 /nfs/dbraw/zinc/99/84/12/526998412.db2.gz KKYSEUGSOROIBC-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@]2(CCC[N@H+](Cc3cccnc3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082106918 526998416 /nfs/dbraw/zinc/99/84/16/526998416.db2.gz KKYSEUGSOROIBC-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@]2(CCC[N@@H+](Cc3cccnc3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082106918 526998420 /nfs/dbraw/zinc/99/84/20/526998420.db2.gz KKYSEUGSOROIBC-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1C[C@@]2(CC[N@H+](Cc3ccc(OCCCn4cc[nH+]c4)cc3)C2)C(=O)N1 ZINC000082138616 527045761 /nfs/dbraw/zinc/04/57/61/527045761.db2.gz SFMLLIIIQNITHY-HXUWFJFHSA-N 2 2 368.437 2.431 50 0 FEAALP O=C1C[C@@]2(CC[N@@H+](Cc3ccc(OCCCn4cc[nH+]c4)cc3)C2)C(=O)N1 ZINC000082138616 527045767 /nfs/dbraw/zinc/04/57/67/527045767.db2.gz SFMLLIIIQNITHY-HXUWFJFHSA-N 2 2 368.437 2.431 50 0 FEAALP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091505556 527390253 /nfs/dbraw/zinc/39/02/53/527390253.db2.gz JDZWEWBMZSWSOU-GOSISDBHSA-N 2 2 364.453 2.238 50 0 FEAALP CCN1CC[NH+](CCOc2ccc(C[N@@H+]3CCCO[C@@H](C)C3)cc2)CC1 ZINC000215119386 548668687 /nfs/dbraw/zinc/66/86/87/548668687.db2.gz OMDZEPFEHWEPFH-IBGZPJMESA-N 2 2 361.530 2.314 50 0 FEAALP CCN1CC[NH+](CCOc2ccc(C[N@H+]3CCCO[C@@H](C)C3)cc2)CC1 ZINC000215119386 548668692 /nfs/dbraw/zinc/66/86/92/548668692.db2.gz OMDZEPFEHWEPFH-IBGZPJMESA-N 2 2 361.530 2.314 50 0 FEAALP c1cc(C[NH+]2CCN(CC[NH+]3CCOCC3)CC2)cc(OC2CCCC2)c1 ZINC000215755679 548672958 /nfs/dbraw/zinc/67/29/58/548672958.db2.gz OKJIOFFFOHVXOS-UHFFFAOYSA-N 2 2 373.541 2.458 50 0 FEAALP C[C@H](CNC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000534580426 562537215 /nfs/dbraw/zinc/53/72/15/562537215.db2.gz DGRJCEMCYMVZRO-QGZVFWFLSA-N 2 2 367.497 2.329 50 0 FEAALP C[C@H](CNC(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000534580426 562537216 /nfs/dbraw/zinc/53/72/16/562537216.db2.gz DGRJCEMCYMVZRO-QGZVFWFLSA-N 2 2 367.497 2.329 50 0 FEAALP CC(C)C[N@@H+]1CCN(C(=O)c2ccc(-c3[nH+]ccn3C)cc2)C[C@@H]1CCO ZINC000426423166 571223689 /nfs/dbraw/zinc/22/36/89/571223689.db2.gz YEAGJDJXLFGPIB-IBGZPJMESA-N 2 2 370.497 2.252 50 0 FEAALP CC(C)C[N@H+]1CCN(C(=O)c2ccc(-c3[nH+]ccn3C)cc2)C[C@@H]1CCO ZINC000426423166 571223690 /nfs/dbraw/zinc/22/36/90/571223690.db2.gz YEAGJDJXLFGPIB-IBGZPJMESA-N 2 2 370.497 2.252 50 0 FEAALP C[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185142338 672520810 /nfs/dbraw/zinc/52/08/10/672520810.db2.gz TWHJXUOUYJSMHQ-CQSZACIVSA-N 2 2 362.499 2.249 50 0 FEAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Br)c1OC ZINC000008469810 539487015 /nfs/dbraw/zinc/48/70/15/539487015.db2.gz CNXNHNVWRXZWTF-UHFFFAOYSA-N 2 2 373.291 2.278 50 0 FEAALP COCCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000299787666 223098250 /nfs/dbraw/zinc/09/82/50/223098250.db2.gz YPUXGZHKHRUHAO-MRXNPFEDSA-N 2 2 357.458 2.352 50 0 FEAALP COCCC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000299787666 223098253 /nfs/dbraw/zinc/09/82/53/223098253.db2.gz YPUXGZHKHRUHAO-MRXNPFEDSA-N 2 2 357.458 2.352 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2cccc(Cl)c2)[nH+]cn1 ZINC000072140559 541786421 /nfs/dbraw/zinc/78/64/21/541786421.db2.gz FFENMLFULLZIRO-UHFFFAOYSA-N 2 2 356.817 2.466 50 0 FEAALP CC[C@H](Nc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1ccc(OC)c(OC)c1 ZINC000072428724 541812127 /nfs/dbraw/zinc/81/21/27/541812127.db2.gz HXJKFSQVRXAULP-AWEZNQCLSA-N 2 2 357.458 2.327 50 0 FEAALP CCC[C@@H](Nc1nc(COCC)nc2c1CC[NH2+]CC2)c1[nH+]ccn1C ZINC000072477064 541819198 /nfs/dbraw/zinc/81/91/98/541819198.db2.gz IRRKZNOMOVNMIT-MRXNPFEDSA-N 2 2 358.490 2.388 50 0 FEAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000077300091 542363251 /nfs/dbraw/zinc/36/32/51/542363251.db2.gz FBTBQLAABZKLIQ-LJQANCHMSA-N 2 2 354.454 2.199 50 0 FEAALP Cc1cccnc1C[NH+]1CCN(C(=O)c2ccccc2[C@@H]2CC[NH2+]C2)CC1 ZINC000077321038 542367022 /nfs/dbraw/zinc/36/70/22/542367022.db2.gz JUSMVAYJZDTBHE-GOSISDBHSA-N 2 2 364.493 2.425 50 0 FEAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077440338 542382258 /nfs/dbraw/zinc/38/22/58/542382258.db2.gz YUSVHBSLYIZSHK-HXUWFJFHSA-N 2 2 358.461 2.434 50 0 FEAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077440338 542382259 /nfs/dbraw/zinc/38/22/59/542382259.db2.gz YUSVHBSLYIZSHK-HXUWFJFHSA-N 2 2 358.461 2.434 50 0 FEAALP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1 ZINC000067714803 221275985 /nfs/dbraw/zinc/27/59/85/221275985.db2.gz FEBCLSSJDHVYFV-INIZCTEOSA-N 2 2 373.363 2.061 50 0 FEAALP Cc1[nH+]c(N(C)C)nc(N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)c1C ZINC000095505585 132212650 /nfs/dbraw/zinc/21/26/50/132212650.db2.gz WPHKLEKKQICUGF-QGZVFWFLSA-N 3 2 371.533 2.302 50 0 FEAALP Nc1nc(N2CCN(c3ccc(Cl)cc3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223583852 132279548 /nfs/dbraw/zinc/27/95/48/132279548.db2.gz PAILUMQWACHMNI-UHFFFAOYSA-N 2 2 358.877 2.244 50 0 FEAALP Cc1cccc([C@H](C(=O)NC2(C[NH+]3CCOCC3)CCCC2)[NH+](C)C)c1 ZINC000091620367 542815827 /nfs/dbraw/zinc/81/58/27/542815827.db2.gz LXNFLBUQNAPSJE-LJQANCHMSA-N 2 2 359.514 2.359 50 0 FEAALP OC[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH+]1CCCC1 ZINC000091848933 542828374 /nfs/dbraw/zinc/82/83/74/542828374.db2.gz OHISPUVYTUFACP-NHCUHLMSSA-N 3 2 357.542 2.287 50 0 FEAALP OC[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C[NH+]1CCCC1 ZINC000091848933 542828376 /nfs/dbraw/zinc/82/83/76/542828376.db2.gz OHISPUVYTUFACP-NHCUHLMSSA-N 3 2 357.542 2.287 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000091950809 542833165 /nfs/dbraw/zinc/83/31/65/542833165.db2.gz KIOKTNKTMLISTC-GOSISDBHSA-N 2 2 362.481 2.407 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000091950809 542833168 /nfs/dbraw/zinc/83/31/68/542833168.db2.gz KIOKTNKTMLISTC-GOSISDBHSA-N 2 2 362.481 2.407 50 0 FEAALP Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)CC2)on1 ZINC000092036960 542840496 /nfs/dbraw/zinc/84/04/96/542840496.db2.gz OKZDLNNRXWMEPC-UHFFFAOYSA-N 2 2 357.458 2.153 50 0 FEAALP Cc1cc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)CC2)on1 ZINC000092036960 542840500 /nfs/dbraw/zinc/84/05/00/542840500.db2.gz OKZDLNNRXWMEPC-UHFFFAOYSA-N 2 2 357.458 2.153 50 0 FEAALP Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)[C@@H](C)n3cc[nH+]c3)CC2)c1 ZINC000052899843 136124648 /nfs/dbraw/zinc/12/46/48/136124648.db2.gz DRRLXINHDYGMJG-RTBURBONSA-N 2 2 369.513 2.470 50 0 FEAALP Cc1ccc(CSc2nc(NC[C@H]3C[N@@H+](C)CCN3C)cc(N)[nH+]2)cc1 ZINC000095367234 542961611 /nfs/dbraw/zinc/96/16/11/542961611.db2.gz VTMRGGLNYUHVBL-INIZCTEOSA-N 2 2 372.542 2.317 50 0 FEAALP Cc1ccc(CSc2nc(NC[C@H]3C[N@H+](C)CCN3C)cc(N)[nH+]2)cc1 ZINC000095367234 542961615 /nfs/dbraw/zinc/96/16/15/542961615.db2.gz VTMRGGLNYUHVBL-INIZCTEOSA-N 2 2 372.542 2.317 50 0 FEAALP Cc1[nH+]ccn1CC1(CNC(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)CC1 ZINC000095386103 542966133 /nfs/dbraw/zinc/96/61/33/542966133.db2.gz MPOAJWBPOXNKKD-GOSISDBHSA-N 2 2 353.470 2.320 50 0 FEAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cc(C(C)=O)cn2C)CC1 ZINC000096163294 222062536 /nfs/dbraw/zinc/06/25/36/222062536.db2.gz AGONYHOPNXSHBV-UHFFFAOYSA-N 2 2 372.517 2.280 50 0 FEAALP CCn1c(Cn2cc[nH+]c2C)nnc1C1CC[NH+](Cc2nc(C)c[nH]2)CC1 ZINC000096163966 222063775 /nfs/dbraw/zinc/06/37/75/222063775.db2.gz RSOJYOYJLZODBK-UHFFFAOYSA-N 2 2 368.489 2.262 50 0 FEAALP Cc1[nH]c2ccc(NC(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc2[nH+]1 ZINC000097553428 222193057 /nfs/dbraw/zinc/19/30/57/222193057.db2.gz FMBQYIFKHQFHLC-UHFFFAOYSA-N 2 2 356.474 2.117 50 0 FEAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(OC)cc2)C1 ZINC000091535833 523558684 /nfs/dbraw/zinc/55/86/84/523558684.db2.gz SCNVSJWKTSDNNR-SFHVURJKSA-N 2 2 370.497 2.450 50 0 FEAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(OC)cc2)C1 ZINC000091535833 523558692 /nfs/dbraw/zinc/55/86/92/523558692.db2.gz SCNVSJWKTSDNNR-SFHVURJKSA-N 2 2 370.497 2.450 50 0 FEAALP Cc1cccc([C@@H](C(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)[NH+](C)C)c1 ZINC000091536427 524813961 /nfs/dbraw/zinc/81/39/61/524813961.db2.gz SOSZHFBWAQWALV-FQEVSTJZSA-N 2 2 372.557 2.274 50 0 FEAALP Cc1cccc([C@@H](C(=O)NCC2(N3CC[NH+](C)CC3)CCCC2)[NH+](C)C)c1 ZINC000091536427 524813967 /nfs/dbraw/zinc/81/39/67/524813967.db2.gz SOSZHFBWAQWALV-FQEVSTJZSA-N 2 2 372.557 2.274 50 0 FEAALP Cc1c(C)n(CC[NH+]2CCOCC2)c2nc[nH+]c(NCc3ccccn3)c12 ZINC000020624502 525683889 /nfs/dbraw/zinc/68/38/89/525683889.db2.gz SEWXBDMHUCWDQT-UHFFFAOYSA-N 2 2 366.469 2.387 50 0 FEAALP CCOC(=O)N1CC[NH+](C2CCN(c3cc(CC)[nH+]c(C)n3)CC2)CC1 ZINC000095502449 535777587 /nfs/dbraw/zinc/77/75/87/535777587.db2.gz VPQBRAWGJKHYFY-UHFFFAOYSA-N 2 2 361.490 2.090 50 0 FEAALP CCc1nc2c(ncnc2N2CCC(c3[nH+]ccn3CC[NH+](C)C)CC2)o1 ZINC000095529684 536154332 /nfs/dbraw/zinc/15/43/32/536154332.db2.gz GQDZFASCOWQIFA-UHFFFAOYSA-N 2 2 369.473 2.322 50 0 FEAALP CCC1=NO[C@@H](C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)C1 ZINC000095389303 538124491 /nfs/dbraw/zinc/12/44/91/538124491.db2.gz RCYHOBWEWSCFPU-QGZVFWFLSA-N 2 2 361.490 2.096 50 0 FEAALP O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000214982121 548668273 /nfs/dbraw/zinc/66/82/73/548668273.db2.gz PMAIXGBJHGKQDB-QHAWAJNXSA-N 2 2 371.525 2.457 50 0 FEAALP O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000214982121 548668278 /nfs/dbraw/zinc/66/82/78/548668278.db2.gz PMAIXGBJHGKQDB-QHAWAJNXSA-N 2 2 371.525 2.457 50 0 FEAALP COCCn1c(C[NH2+]Cc2nc3ccccc3s2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000223746748 548723635 /nfs/dbraw/zinc/72/36/35/548723635.db2.gz RZFCQFRTWRPAOH-BETUJISGSA-N 2 2 372.498 2.029 50 0 FEAALP Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccncc1 ZINC000252485250 549667421 /nfs/dbraw/zinc/66/74/21/549667421.db2.gz GPPDWZURWNRNMM-IBGZPJMESA-N 2 2 355.486 2.490 50 0 FEAALP Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccncc1 ZINC000252485250 549667424 /nfs/dbraw/zinc/66/74/24/549667424.db2.gz GPPDWZURWNRNMM-IBGZPJMESA-N 2 2 355.486 2.490 50 0 FEAALP Nc1cccc(-c2cccc(C(=O)NC[C@H](O)C[NH+]3CCCCCC3)c2)[nH+]1 ZINC000426503098 559736001 /nfs/dbraw/zinc/73/60/01/559736001.db2.gz GMRBLPMLTKGIOF-SFHVURJKSA-N 2 2 368.481 2.298 50 0 FEAALP Nc1cccc(-c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3CO)cc2)[nH+]1 ZINC000426667173 559739923 /nfs/dbraw/zinc/73/99/23/559739923.db2.gz YGPAHBRCVQPOGC-GOSISDBHSA-N 2 2 368.481 2.298 50 0 FEAALP Nc1cccc(-c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3CO)cc2)[nH+]1 ZINC000426667173 559739924 /nfs/dbraw/zinc/73/99/24/559739924.db2.gz YGPAHBRCVQPOGC-GOSISDBHSA-N 2 2 368.481 2.298 50 0 FEAALP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)Cc1ccccn1 ZINC000299781117 529832659 /nfs/dbraw/zinc/83/26/59/529832659.db2.gz HKBWMXHSDWFAOY-UHFFFAOYSA-N 2 2 370.472 2.433 50 0 FEAALP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)Cc1ccccn1 ZINC000299781117 529832660 /nfs/dbraw/zinc/83/26/60/529832660.db2.gz HKBWMXHSDWFAOY-UHFFFAOYSA-N 2 2 370.472 2.433 50 0 FEAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(-c4ccco4)c3)C[C@H]2O)CC1 ZINC000020419336 539673978 /nfs/dbraw/zinc/67/39/78/539673978.db2.gz WCDWKOVHSIPCPD-WOJBJXKFSA-N 2 2 355.482 2.129 50 0 FEAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(-c4ccco4)c3)C[C@H]2O)CC1 ZINC000020419336 539673984 /nfs/dbraw/zinc/67/39/84/539673984.db2.gz WCDWKOVHSIPCPD-WOJBJXKFSA-N 2 2 355.482 2.129 50 0 FEAALP COc1cccc(CN2CC[N@H+](Cc3cccc(CC[NH3+])c3)CC2=O)c1 ZINC000072410292 541807036 /nfs/dbraw/zinc/80/70/36/541807036.db2.gz ZCVUCZAYPQDVSU-UHFFFAOYSA-N 2 2 353.466 2.041 50 0 FEAALP COc1cccc(CN2CC[N@@H+](Cc3cccc(CC[NH3+])c3)CC2=O)c1 ZINC000072410292 541807040 /nfs/dbraw/zinc/80/70/40/541807040.db2.gz ZCVUCZAYPQDVSU-UHFFFAOYSA-N 2 2 353.466 2.041 50 0 FEAALP COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000012589123 220011048 /nfs/dbraw/zinc/01/10/48/220011048.db2.gz AXDMRMABQLUQCC-NHCUHLMSSA-N 2 2 370.493 2.240 50 0 FEAALP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H]([NH+]2CCC(O)CC2)[C@H](O)C1 ZINC000012589123 220011052 /nfs/dbraw/zinc/01/10/52/220011052.db2.gz AXDMRMABQLUQCC-NHCUHLMSSA-N 2 2 370.493 2.240 50 0 FEAALP C[N@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2F)C1)Cc1cccnc1 ZINC000015065819 220143966 /nfs/dbraw/zinc/14/39/66/220143966.db2.gz HQNTVCHOTNXLJM-IBGZPJMESA-N 2 2 370.472 2.433 50 0 FEAALP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2F)C1)Cc1cccnc1 ZINC000015065819 220143971 /nfs/dbraw/zinc/14/39/71/220143971.db2.gz HQNTVCHOTNXLJM-IBGZPJMESA-N 2 2 370.472 2.433 50 0 FEAALP C[NH+](CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1)Cc1cccnc1 ZINC000015065819 220143974 /nfs/dbraw/zinc/14/39/74/220143974.db2.gz HQNTVCHOTNXLJM-IBGZPJMESA-N 2 2 370.472 2.433 50 0 FEAALP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)Cc1cccnc1 ZINC000015065819 220143977 /nfs/dbraw/zinc/14/39/77/220143977.db2.gz HQNTVCHOTNXLJM-IBGZPJMESA-N 2 2 370.472 2.433 50 0 FEAALP C[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2F)CC1)Cc1cccnc1 ZINC000077469967 542386192 /nfs/dbraw/zinc/38/61/92/542386192.db2.gz XMYIWGUJAPCNNA-UHFFFAOYSA-N 2 2 370.472 2.387 50 0 FEAALP C[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2F)CC1)Cc1cccnc1 ZINC000077469967 542386195 /nfs/dbraw/zinc/38/61/95/542386195.db2.gz XMYIWGUJAPCNNA-UHFFFAOYSA-N 2 2 370.472 2.387 50 0 FEAALP C[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2F)CC1)Cc1cccnc1 ZINC000077469967 542386198 /nfs/dbraw/zinc/38/61/98/542386198.db2.gz XMYIWGUJAPCNNA-UHFFFAOYSA-N 2 2 370.472 2.387 50 0 FEAALP C[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1)Cc1cccnc1 ZINC000077469967 542386200 /nfs/dbraw/zinc/38/62/00/542386200.db2.gz XMYIWGUJAPCNNA-UHFFFAOYSA-N 2 2 370.472 2.387 50 0 FEAALP CCNC(=O)c1ccc(N2CC[NH+](C3CC[NH+](CC(C)C)CC3)CC2)nc1 ZINC000067726745 221278274 /nfs/dbraw/zinc/27/82/74/221278274.db2.gz UVMSSUWACXAXNS-UHFFFAOYSA-N 2 2 373.545 2.074 50 0 FEAALP CC[NH+]1CCN(C(=O)c2cc(C[N@H+](C)CCc3ccccc3)on2)CC1 ZINC000067947785 221308631 /nfs/dbraw/zinc/30/86/31/221308631.db2.gz FXIAQSHXOFWKAQ-UHFFFAOYSA-N 2 2 356.470 2.127 50 0 FEAALP CC[NH+]1CCN(C(=O)c2cc(C[N@@H+](C)CCc3ccccc3)on2)CC1 ZINC000067947785 221308634 /nfs/dbraw/zinc/30/86/34/221308634.db2.gz FXIAQSHXOFWKAQ-UHFFFAOYSA-N 2 2 356.470 2.127 50 0 FEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000077394454 132183306 /nfs/dbraw/zinc/18/33/06/132183306.db2.gz ZGEWBWITQQKKSQ-CQSZACIVSA-N 2 2 366.473 2.066 50 0 FEAALP Cc1ccc(C[N@@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]2CCO)cc1 ZINC000106960866 132266127 /nfs/dbraw/zinc/26/61/27/132266127.db2.gz DTRKBIZOITVKKE-QGZVFWFLSA-N 2 2 351.454 2.340 50 0 FEAALP Cc1ccc(C[N@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@H]2CCO)cc1 ZINC000106960866 132266128 /nfs/dbraw/zinc/26/61/28/132266128.db2.gz DTRKBIZOITVKKE-QGZVFWFLSA-N 2 2 351.454 2.340 50 0 FEAALP Cc1cccc([C@@H](C(=O)NC2(C[NH+]3CCOCC3)CCCC2)[NH+](C)C)c1 ZINC000091620365 542815820 /nfs/dbraw/zinc/81/58/20/542815820.db2.gz LXNFLBUQNAPSJE-IBGZPJMESA-N 2 2 359.514 2.359 50 0 FEAALP c1cn(Cc2nnc(C3CC[NH+](C4CCOCC4)CC3)n2C2CC2)c[nH+]1 ZINC000091914809 542832062 /nfs/dbraw/zinc/83/20/62/542832062.db2.gz WCLFZMBDXDRNAQ-UHFFFAOYSA-N 2 2 356.474 2.216 50 0 FEAALP Cc1nc(N[C@H]2C[N@H+](CC(C)(C)N3CCOCC3)C[C@@H]2C2CC2)cc[nH+]1 ZINC000092003415 542836501 /nfs/dbraw/zinc/83/65/01/542836501.db2.gz XYHXHPJMZQFZHQ-MSOLQXFVSA-N 2 2 359.518 2.018 50 0 FEAALP Cc1nc(N[C@H]2C[N@@H+](CC(C)(C)N3CCOCC3)C[C@@H]2C2CC2)cc[nH+]1 ZINC000092003415 542836503 /nfs/dbraw/zinc/83/65/03/542836503.db2.gz XYHXHPJMZQFZHQ-MSOLQXFVSA-N 2 2 359.518 2.018 50 0 FEAALP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095357221 542959390 /nfs/dbraw/zinc/95/93/90/542959390.db2.gz MCDYWTCRBLAPBE-SFHVURJKSA-N 2 2 368.481 2.380 50 0 FEAALP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095357221 542959394 /nfs/dbraw/zinc/95/93/94/542959394.db2.gz MCDYWTCRBLAPBE-SFHVURJKSA-N 2 2 368.481 2.380 50 0 FEAALP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095382659 542965240 /nfs/dbraw/zinc/96/52/40/542965240.db2.gz JLYUCAYUKKZWSQ-CGTYMMHASA-N 2 2 362.489 2.488 50 0 FEAALP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095382659 542965242 /nfs/dbraw/zinc/96/52/42/542965242.db2.gz JLYUCAYUKKZWSQ-CGTYMMHASA-N 2 2 362.489 2.488 50 0 FEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095382659 542965244 /nfs/dbraw/zinc/96/52/44/542965244.db2.gz JLYUCAYUKKZWSQ-CGTYMMHASA-N 2 2 362.489 2.488 50 0 FEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000095382659 542965247 /nfs/dbraw/zinc/96/52/47/542965247.db2.gz JLYUCAYUKKZWSQ-CGTYMMHASA-N 2 2 362.489 2.488 50 0 FEAALP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)Nc3ccnn3C3CCCC3)CC2)C1 ZINC000095522898 542979937 /nfs/dbraw/zinc/97/99/37/542979937.db2.gz YJCWYQQZGXWMEB-QGZVFWFLSA-N 2 2 374.533 2.490 50 0 FEAALP C[N@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)Nc3ccnn3C3CCCC3)CC2)C1 ZINC000095522898 542979938 /nfs/dbraw/zinc/97/99/38/542979938.db2.gz YJCWYQQZGXWMEB-QGZVFWFLSA-N 2 2 374.533 2.490 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000095529008 542982050 /nfs/dbraw/zinc/98/20/50/542982050.db2.gz DLXCPFKTYVZJEK-IBGZPJMESA-N 2 2 370.497 2.274 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2c[nH]c3ccccc32)[nH+]cn1 ZINC000096544716 222123371 /nfs/dbraw/zinc/12/33/71/222123371.db2.gz YXBKXDDRYPYFMV-UHFFFAOYSA-N 2 2 361.409 2.294 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cnn(-c4ccccc4)c3)C2)CC1 ZINC000020454855 263380225 /nfs/dbraw/zinc/38/02/25/263380225.db2.gz DMMDMBCOAQYTMQ-GOSISDBHSA-N 2 2 367.497 2.161 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)c3cnn(-c4ccccc4)c3)C2)CC1 ZINC000020454855 263380227 /nfs/dbraw/zinc/38/02/27/263380227.db2.gz DMMDMBCOAQYTMQ-GOSISDBHSA-N 2 2 367.497 2.161 50 0 FEAALP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000241144853 521741033 /nfs/dbraw/zinc/74/10/33/521741033.db2.gz JTQHDTLCGPXOBN-RBUKOAKNSA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000241144853 521741034 /nfs/dbraw/zinc/74/10/34/521741034.db2.gz JTQHDTLCGPXOBN-RBUKOAKNSA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000241144853 521741035 /nfs/dbraw/zinc/74/10/35/521741035.db2.gz JTQHDTLCGPXOBN-RBUKOAKNSA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000241144853 521741036 /nfs/dbraw/zinc/74/10/36/521741036.db2.gz JTQHDTLCGPXOBN-RBUKOAKNSA-N 2 2 372.513 2.209 50 0 FEAALP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2csc(C[NH3+])n2)C[C@H](C)O1 ZINC000237619645 524637192 /nfs/dbraw/zinc/63/71/92/524637192.db2.gz YSHHOXJZHCDRCS-KBPBESRZSA-N 2 2 374.510 2.141 50 0 FEAALP Cc1ccccc1[C@@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)c1ccncc1 ZINC000299767041 534834713 /nfs/dbraw/zinc/83/47/13/534834713.db2.gz BFUGIJASKWAGJT-NRFANRHFSA-N 2 2 352.482 2.279 50 0 FEAALP Cc1ccccc1[C@@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)c1ccncc1 ZINC000299767041 534834717 /nfs/dbraw/zinc/83/47/17/534834717.db2.gz BFUGIJASKWAGJT-NRFANRHFSA-N 2 2 352.482 2.279 50 0 FEAALP CCN1CC[NH+](CCOc2ccc(C[N@@H+]3CCCO[C@H](C)C3)cc2)CC1 ZINC000215119342 548668431 /nfs/dbraw/zinc/66/84/31/548668431.db2.gz OMDZEPFEHWEPFH-LJQANCHMSA-N 2 2 361.530 2.314 50 0 FEAALP CCN1CC[NH+](CCOc2ccc(C[N@H+]3CCCO[C@H](C)C3)cc2)CC1 ZINC000215119342 548668436 /nfs/dbraw/zinc/66/84/36/548668436.db2.gz OMDZEPFEHWEPFH-LJQANCHMSA-N 2 2 361.530 2.314 50 0 FEAALP CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000215152389 548669850 /nfs/dbraw/zinc/66/98/50/548669850.db2.gz FFURFFGPYDOYMY-GOSISDBHSA-N 2 2 356.470 2.310 50 0 FEAALP CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OCCCn3cc[nH+]c3)cc2)C1 ZINC000215152389 548669857 /nfs/dbraw/zinc/66/98/57/548669857.db2.gz FFURFFGPYDOYMY-GOSISDBHSA-N 2 2 356.470 2.310 50 0 FEAALP C[NH+](C)Cc1ccc(CNC(=O)C2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000222677543 548710102 /nfs/dbraw/zinc/71/01/02/548710102.db2.gz MAAOEVBCQGQNDR-UHFFFAOYSA-N 2 2 359.514 2.400 50 0 FEAALP CCOc1ccccc1NC(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000244882773 548898153 /nfs/dbraw/zinc/89/81/53/548898153.db2.gz XYURWXBKAABQPV-UHFFFAOYSA-N 2 2 361.486 2.211 50 0 FEAALP Cc1nnc([C@@H]2CC3(C[N@@H+]2Cc2cccnc2)CC[NH+](CCCO)CC3)o1 ZINC000257191000 549714554 /nfs/dbraw/zinc/71/45/54/549714554.db2.gz OQIMGINRCNGJME-SFHVURJKSA-N 2 2 371.485 2.185 50 0 FEAALP Cc1nnc([C@@H]2CC3(C[N@H+]2Cc2cccnc2)CC[NH+](CCCO)CC3)o1 ZINC000257191000 549714558 /nfs/dbraw/zinc/71/45/58/549714558.db2.gz OQIMGINRCNGJME-SFHVURJKSA-N 2 2 371.485 2.185 50 0 FEAALP COC(=O)CC[C@H]1C[N@H+](Cc2cc(OC)ccc2OC)CC[C@H]1[NH+](C)C ZINC000012041178 539541863 /nfs/dbraw/zinc/54/18/63/539541863.db2.gz MDBUBLKXECHKKC-MAUKXSAKSA-N 2 2 364.486 2.409 50 0 FEAALP COC(=O)CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2OC)CC[C@H]1[NH+](C)C ZINC000012041178 539541866 /nfs/dbraw/zinc/54/18/66/539541866.db2.gz MDBUBLKXECHKKC-MAUKXSAKSA-N 2 2 364.486 2.409 50 0 FEAALP C[NH+]1CCC(N2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CCO)CC1 ZINC000023373201 539713467 /nfs/dbraw/zinc/71/34/67/539713467.db2.gz SUKOJZGCACLAFD-IBGZPJMESA-N 2 2 351.922 2.303 50 0 FEAALP C[NH+]1CCC(N2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CCO)CC1 ZINC000023373201 539713469 /nfs/dbraw/zinc/71/34/69/539713469.db2.gz SUKOJZGCACLAFD-IBGZPJMESA-N 2 2 351.922 2.303 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCO)CC1 ZINC000023373201 539713471 /nfs/dbraw/zinc/71/34/71/539713471.db2.gz SUKOJZGCACLAFD-IBGZPJMESA-N 2 2 351.922 2.303 50 0 FEAALP C[NH+]1CCC([N@H+]2CCN(Cc3cccc(Cl)c3)C[C@@H]2CCO)CC1 ZINC000023373201 539713474 /nfs/dbraw/zinc/71/34/74/539713474.db2.gz SUKOJZGCACLAFD-IBGZPJMESA-N 2 2 351.922 2.303 50 0 FEAALP O[C@@H]1C[N@H+](Cc2cc3n(n2)CC[NH2+]C3)CC[C@H]1c1ccc2ccccc2c1 ZINC000072163321 541792876 /nfs/dbraw/zinc/79/28/76/541792876.db2.gz IQJMKKZZBLSLGI-FCHUYYIVSA-N 2 2 362.477 2.490 50 0 FEAALP O[C@@H]1C[N@@H+](Cc2cc3n(n2)CC[NH2+]C3)CC[C@H]1c1ccc2ccccc2c1 ZINC000072163321 541792878 /nfs/dbraw/zinc/79/28/78/541792878.db2.gz IQJMKKZZBLSLGI-FCHUYYIVSA-N 2 2 362.477 2.490 50 0 FEAALP O=C1CC[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]2N1CCCn1cc[nH+]c1 ZINC000072430912 541812417 /nfs/dbraw/zinc/81/24/17/541812417.db2.gz DMDZASNPCRNCCL-RBUKOAKNSA-N 2 2 353.470 2.181 50 0 FEAALP O=C1CC[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]2N1CCCn1cc[nH+]c1 ZINC000072430912 541812422 /nfs/dbraw/zinc/81/24/22/541812422.db2.gz DMDZASNPCRNCCL-RBUKOAKNSA-N 2 2 353.470 2.181 50 0 FEAALP COC(=O)CC[C@H]1C[N@H+](Cc2ccc(OC)cc2OC)CC[C@H]1[NH+](C)C ZINC000019229210 220240892 /nfs/dbraw/zinc/24/08/92/220240892.db2.gz QTWSKCHJBLQJLZ-MAUKXSAKSA-N 2 2 364.486 2.409 50 0 FEAALP COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2OC)CC[C@H]1[NH+](C)C ZINC000019229210 220240894 /nfs/dbraw/zinc/24/08/94/220240894.db2.gz QTWSKCHJBLQJLZ-MAUKXSAKSA-N 2 2 364.486 2.409 50 0 FEAALP Cn1ccnc1C[NH+]1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000019300102 220249782 /nfs/dbraw/zinc/24/97/82/220249782.db2.gz XVCWNCQGPBPWFG-RTWAWAEBSA-N 2 2 366.509 2.465 50 0 FEAALP O=C1CC[C@@]2(CCC[N@H+](Cc3cccnc3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082106919 542684751 /nfs/dbraw/zinc/68/47/51/542684751.db2.gz KKYSEUGSOROIBC-HXUWFJFHSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3cccnc3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082106919 542684754 /nfs/dbraw/zinc/68/47/54/542684754.db2.gz KKYSEUGSOROIBC-HXUWFJFHSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@@]2(CCC[N@H+](Cc3cccnc3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082106919 542684759 /nfs/dbraw/zinc/68/47/59/542684759.db2.gz KKYSEUGSOROIBC-HXUWFJFHSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3cccnc3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082106919 542684763 /nfs/dbraw/zinc/68/47/63/542684763.db2.gz KKYSEUGSOROIBC-HXUWFJFHSA-N 2 2 353.470 2.252 50 0 FEAALP Cc1ccc[nH+]c1N1CCN(C(=O)[C@H](c2cccnc2)[NH+]2CCCC2)CC1 ZINC000082160593 132197628 /nfs/dbraw/zinc/19/76/28/132197628.db2.gz WAZUTAFCSUDNNY-IBGZPJMESA-N 2 2 365.481 2.271 50 0 FEAALP Cc1cc(N2CCC([NH2+][C@H]3Cc4ccccc4[C@@H]3[NH3+])CC2)nc(N(C)C)[nH+]1 ZINC000095388996 132210527 /nfs/dbraw/zinc/21/05/27/132210527.db2.gz JCFRAHGADGRDHR-ICSRJNTNSA-N 3 2 366.513 2.034 50 0 FEAALP O=C(C[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000222257434 132276803 /nfs/dbraw/zinc/27/68/03/132276803.db2.gz HUXXOHZUMDTZQS-SFHVURJKSA-N 2 2 364.493 2.473 50 0 FEAALP O=C(C[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000222257434 132276804 /nfs/dbraw/zinc/27/68/04/132276804.db2.gz HUXXOHZUMDTZQS-SFHVURJKSA-N 2 2 364.493 2.473 50 0 FEAALP CC1(C)C[N@H+](Cc2ccccc2OCC[NH+]2CCOCC2)CC[C@]1(C)O ZINC000091746038 542823896 /nfs/dbraw/zinc/82/38/96/542823896.db2.gz QHWYBHHUZUSCAY-NRFANRHFSA-N 2 2 362.514 2.381 50 0 FEAALP CC1(C)C[N@@H+](Cc2ccccc2OCC[NH+]2CCOCC2)CC[C@]1(C)O ZINC000091746038 542823900 /nfs/dbraw/zinc/82/39/00/542823900.db2.gz QHWYBHHUZUSCAY-NRFANRHFSA-N 2 2 362.514 2.381 50 0 FEAALP COc1cccc([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]2[NH3+])c1 ZINC000091876914 542829879 /nfs/dbraw/zinc/82/98/79/542829879.db2.gz MFTVDPYZJOQIED-UXHICEINSA-N 2 2 362.433 2.448 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000091950812 542833364 /nfs/dbraw/zinc/83/33/64/542833364.db2.gz KIOKTNKTMLISTC-SFHVURJKSA-N 2 2 362.481 2.407 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000091950812 542833366 /nfs/dbraw/zinc/83/33/66/542833366.db2.gz KIOKTNKTMLISTC-SFHVURJKSA-N 2 2 362.481 2.407 50 0 FEAALP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)C1 ZINC000091965750 542834740 /nfs/dbraw/zinc/83/47/40/542834740.db2.gz ATVRYTLJCBHGOZ-DLBZAZTESA-N 2 2 353.470 2.160 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](CCc2ccccc2)CC1 ZINC000092022213 542838438 /nfs/dbraw/zinc/83/84/38/542838438.db2.gz KXLORHXZBKYVHM-UHFFFAOYSA-N 2 2 350.470 2.482 50 0 FEAALP c1cc(C[NH+]2CCOCC2)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000065420452 136136398 /nfs/dbraw/zinc/13/63/98/136136398.db2.gz PDLQZLYAZABOSA-UHFFFAOYSA-N 3 2 352.482 2.236 50 0 FEAALP c1cn(C[C@H]2CCCN(c3nc(-c4cccnc4)nc4c3C[NH2+]C4)C2)c[nH+]1 ZINC000072130644 136142231 /nfs/dbraw/zinc/14/22/31/136142231.db2.gz ZIXUNRHLHPQASY-OAHLLOKOSA-N 2 2 361.453 2.255 50 0 FEAALP CCC1=NO[C@H](C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)C1 ZINC000095389302 542968135 /nfs/dbraw/zinc/96/81/35/542968135.db2.gz RCYHOBWEWSCFPU-KRWDZBQOSA-N 2 2 361.490 2.096 50 0 FEAALP Cn1ccc2ccc(C(=O)N3CC[NH+](C[C@H]4CCC[N@H+](C)C4)CC3)cc21 ZINC000095498439 542974004 /nfs/dbraw/zinc/97/40/04/542974004.db2.gz HBRITJMMOFWKMA-KRWDZBQOSA-N 2 2 354.498 2.278 50 0 FEAALP Cn1ccc2ccc(C(=O)N3CC[NH+](C[C@H]4CCC[N@@H+](C)C4)CC3)cc21 ZINC000095498439 542974007 /nfs/dbraw/zinc/97/40/07/542974007.db2.gz HBRITJMMOFWKMA-KRWDZBQOSA-N 2 2 354.498 2.278 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(CO)cc2)C1 ZINC000095499379 542974107 /nfs/dbraw/zinc/97/41/07/542974107.db2.gz BAENPHYPWFERAA-IBGZPJMESA-N 2 2 370.497 2.347 50 0 FEAALP Cn1cnnc1C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095516357 542977676 /nfs/dbraw/zinc/97/76/76/542977676.db2.gz PWDLGCVUDWLTLF-LJQANCHMSA-N 2 2 361.534 2.451 50 0 FEAALP Cn1cnnc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095516357 542977680 /nfs/dbraw/zinc/97/76/80/542977680.db2.gz PWDLGCVUDWLTLF-LJQANCHMSA-N 2 2 361.534 2.451 50 0 FEAALP Cc1ccc([C@@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)C[C@H]2[NH+](C)C)cc1 ZINC000095526618 542980875 /nfs/dbraw/zinc/98/08/75/542980875.db2.gz ZTVSMZZMXQMHKN-LEWJYISDSA-N 2 2 366.509 2.378 50 0 FEAALP Cc1ccc([C@@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)C[C@H]2[NH+](C)C)cc1 ZINC000095526618 542980879 /nfs/dbraw/zinc/98/08/79/542980879.db2.gz ZTVSMZZMXQMHKN-LEWJYISDSA-N 2 2 366.509 2.378 50 0 FEAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(OC)c2OC)nc[nH+]1 ZINC000109069811 543312655 /nfs/dbraw/zinc/31/26/55/543312655.db2.gz QIRQIBFGBJHDME-OAHLLOKOSA-N 2 2 357.458 2.294 50 0 FEAALP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000153304120 326729464 /nfs/dbraw/zinc/72/94/64/326729464.db2.gz HRQVUPLWESYGAA-DLBZAZTESA-N 2 2 368.485 2.466 50 0 FEAALP CCCn1ccnc1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C)CC1 ZINC000091695277 521662674 /nfs/dbraw/zinc/66/26/74/521662674.db2.gz OPNBJZBAQFNBHH-UHFFFAOYSA-N 2 2 368.489 2.046 50 0 FEAALP Cc1cccn2c(CC(=O)N3CCCC[C@H]3CC[NH+]3CCOCC3)c[nH+]c12 ZINC000091416707 525464965 /nfs/dbraw/zinc/46/49/65/525464965.db2.gz XNDNGQITGCISAQ-SFHVURJKSA-N 2 2 370.497 2.289 50 0 FEAALP CC(C)(C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299800303 527086024 /nfs/dbraw/zinc/08/60/24/527086024.db2.gz WNUMCFFHNIPSKW-ZCNNSNEGSA-N 2 2 371.525 2.439 50 0 FEAALP CC(C)(C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299800303 527086030 /nfs/dbraw/zinc/08/60/30/527086030.db2.gz WNUMCFFHNIPSKW-ZCNNSNEGSA-N 2 2 371.525 2.439 50 0 FEAALP COc1ccc(C[N@@H+]2Cc3nc(C)n(C)c(=O)c3C2)cc1C[NH+]1CCCC1 ZINC000215542451 548673874 /nfs/dbraw/zinc/67/38/74/548673874.db2.gz KFJXVGIOOXNMKY-UHFFFAOYSA-N 2 2 368.481 2.209 50 0 FEAALP COc1ccc(C[N@H+]2Cc3nc(C)n(C)c(=O)c3C2)cc1C[NH+]1CCCC1 ZINC000215542451 548673880 /nfs/dbraw/zinc/67/38/80/548673880.db2.gz KFJXVGIOOXNMKY-UHFFFAOYSA-N 2 2 368.481 2.209 50 0 FEAALP Nc1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000222464558 548708916 /nfs/dbraw/zinc/70/89/16/548708916.db2.gz HFQUATBKSFNIHR-UHFFFAOYSA-N 3 2 370.476 2.115 50 0 FEAALP Nc1nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000222464558 548708919 /nfs/dbraw/zinc/70/89/19/548708919.db2.gz HFQUATBKSFNIHR-UHFFFAOYSA-N 3 2 370.476 2.115 50 0 FEAALP COc1cccc(N2CC[NH+](C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c1 ZINC000252510562 549670598 /nfs/dbraw/zinc/67/05/98/549670598.db2.gz ZNSBQXNPMGDSNE-OAQYLSRUSA-N 2 2 359.514 2.461 50 0 FEAALP CC[N@@H+]1CC[C@@H](CNC(=O)N(C)CCc2[nH]c3ccc(OC)cc3[nH+]2)C1 ZINC000426485992 559735466 /nfs/dbraw/zinc/73/54/66/559735466.db2.gz DPYATMRDLQIHOG-AWEZNQCLSA-N 2 2 359.474 2.097 50 0 FEAALP CC[N@H+]1CC[C@@H](CNC(=O)N(C)CCc2[nH]c3ccc(OC)cc3[nH+]2)C1 ZINC000426485992 559735467 /nfs/dbraw/zinc/73/54/67/559735467.db2.gz DPYATMRDLQIHOG-AWEZNQCLSA-N 2 2 359.474 2.097 50 0 FEAALP C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527659015 562299268 /nfs/dbraw/zinc/29/92/68/562299268.db2.gz NFVJKXBNAVGUBS-NQYYFHDYSA-N 2 2 371.529 2.306 50 0 FEAALP C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)c(F)c1 ZINC000047028193 570878754 /nfs/dbraw/zinc/87/87/54/570878754.db2.gz AYIKTQMDPWQHCC-OAHLLOKOSA-N 2 2 374.464 2.374 50 0 FEAALP C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)c(F)c1 ZINC000047028193 570878756 /nfs/dbraw/zinc/87/87/56/570878756.db2.gz AYIKTQMDPWQHCC-OAHLLOKOSA-N 2 2 374.464 2.374 50 0 FEAALP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000584887135 571314070 /nfs/dbraw/zinc/31/40/70/571314070.db2.gz JEQPKUSCJWMAMN-QGZVFWFLSA-N 2 2 360.477 2.137 50 0 FEAALP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000584887135 571314071 /nfs/dbraw/zinc/31/40/71/571314071.db2.gz JEQPKUSCJWMAMN-QGZVFWFLSA-N 2 2 360.477 2.137 50 0 FEAALP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000584893408 571314910 /nfs/dbraw/zinc/31/49/10/571314910.db2.gz LTWSUNLNQZYXQY-LJQANCHMSA-N 2 2 374.529 2.395 50 0 FEAALP COc1ccccc1C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000584893408 571314912 /nfs/dbraw/zinc/31/49/12/571314912.db2.gz LTWSUNLNQZYXQY-LJQANCHMSA-N 2 2 374.529 2.395 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccccc2F)C3)CC1 ZINC000015779415 571351694 /nfs/dbraw/zinc/35/16/94/571351694.db2.gz YACYDMABUCMDIK-UHFFFAOYSA-N 2 2 355.461 2.316 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccccc2F)C3)CC1 ZINC000015779415 571351695 /nfs/dbraw/zinc/35/16/95/571351695.db2.gz YACYDMABUCMDIK-UHFFFAOYSA-N 2 2 355.461 2.316 50 0 FEAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000670456117 571353956 /nfs/dbraw/zinc/35/39/56/571353956.db2.gz YXNQCIFKXCBBHX-SFHVURJKSA-N 2 2 356.470 2.309 50 0 FEAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000670456117 571353957 /nfs/dbraw/zinc/35/39/57/571353957.db2.gz YXNQCIFKXCBBHX-SFHVURJKSA-N 2 2 356.470 2.309 50 0 FEAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC4CCCC4)cc3)C[C@H]2O)CC1 ZINC000023359895 539712565 /nfs/dbraw/zinc/71/25/65/539712565.db2.gz ICGKADKBGPDUIC-FGZHOGPDSA-N 2 2 373.541 2.191 50 0 FEAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC4CCCC4)cc3)C[C@H]2O)CC1 ZINC000023359895 539712570 /nfs/dbraw/zinc/71/25/70/539712570.db2.gz ICGKADKBGPDUIC-FGZHOGPDSA-N 2 2 373.541 2.191 50 0 FEAALP Cc1ccccc1Cc1c(C)[nH+]c(C)nc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000036340124 539989445 /nfs/dbraw/zinc/98/94/45/539989445.db2.gz NJQOCWOTENQWAB-MRXNPFEDSA-N 2 2 354.498 2.495 50 0 FEAALP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000047617812 540320547 /nfs/dbraw/zinc/32/05/47/540320547.db2.gz WDPCAHZRSFPJLK-SFHVURJKSA-N 2 2 374.529 2.050 50 0 FEAALP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[NH+]3CCOCC3)cc2)C1 ZINC000047617812 540320551 /nfs/dbraw/zinc/32/05/51/540320551.db2.gz WDPCAHZRSFPJLK-SFHVURJKSA-N 2 2 374.529 2.050 50 0 FEAALP CCCC[N@@H+]1CC[C@H]2[NH+](CCn3cc(Cl)cn3)CCC[C@]2(CO)C1 ZINC000072139102 541786176 /nfs/dbraw/zinc/78/61/76/541786176.db2.gz VASWTBDESXEUNT-QZTJIDSGSA-N 2 2 354.926 2.485 50 0 FEAALP CCCC[N@H+]1CC[C@H]2[NH+](CCn3cc(Cl)cn3)CCC[C@]2(CO)C1 ZINC000072139102 541786179 /nfs/dbraw/zinc/78/61/79/541786179.db2.gz VASWTBDESXEUNT-QZTJIDSGSA-N 2 2 354.926 2.485 50 0 FEAALP CCCC[NH+]1CC[C@H]2[N@H+](CCn3cc(Cl)cn3)CCC[C@]2(CO)C1 ZINC000072139102 541786183 /nfs/dbraw/zinc/78/61/83/541786183.db2.gz VASWTBDESXEUNT-QZTJIDSGSA-N 2 2 354.926 2.485 50 0 FEAALP CCCC[NH+]1CC[C@H]2[N@@H+](CCn3cc(Cl)cn3)CCC[C@]2(CO)C1 ZINC000072139102 541786186 /nfs/dbraw/zinc/78/61/86/541786186.db2.gz VASWTBDESXEUNT-QZTJIDSGSA-N 2 2 354.926 2.485 50 0 FEAALP O=C(c1ccc2c(c1)CC[NH2+]C2)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072409515 541806285 /nfs/dbraw/zinc/80/62/85/541806285.db2.gz HIKJFWSEYRFJBT-UHFFFAOYSA-N 2 2 353.441 2.429 50 0 FEAALP Nc1nc(NCC2=CCCCC2)c2c([nH+]1)CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC000072424880 541810072 /nfs/dbraw/zinc/81/00/72/541810072.db2.gz SFBQHXLQBSDTIL-MRXNPFEDSA-N 2 2 356.518 2.124 50 0 FEAALP CC(C)=CCC[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072467916 541817988 /nfs/dbraw/zinc/81/79/88/541817988.db2.gz DPIQJJSZJBEENP-QGZVFWFLSA-N 2 2 361.534 2.308 50 0 FEAALP CC(C)=CCC[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072467916 541817990 /nfs/dbraw/zinc/81/79/90/541817990.db2.gz DPIQJJSZJBEENP-QGZVFWFLSA-N 2 2 361.534 2.308 50 0 FEAALP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)n1 ZINC000072454092 541816156 /nfs/dbraw/zinc/81/61/56/541816156.db2.gz AIEHACCSCLSKDX-QFBILLFUSA-N 2 2 353.470 2.169 50 0 FEAALP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)n1 ZINC000072454092 541816158 /nfs/dbraw/zinc/81/61/58/541816158.db2.gz AIEHACCSCLSKDX-QFBILLFUSA-N 2 2 353.470 2.169 50 0 FEAALP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)n1 ZINC000072454092 541816160 /nfs/dbraw/zinc/81/61/60/541816160.db2.gz AIEHACCSCLSKDX-QFBILLFUSA-N 2 2 353.470 2.169 50 0 FEAALP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)n1 ZINC000072454092 541816163 /nfs/dbraw/zinc/81/61/63/541816163.db2.gz AIEHACCSCLSKDX-QFBILLFUSA-N 2 2 353.470 2.169 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000072462596 541816546 /nfs/dbraw/zinc/81/65/46/541816546.db2.gz GHBKWTBOOYQDRT-MRXNPFEDSA-N 2 2 361.534 2.284 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000072462596 541816551 /nfs/dbraw/zinc/81/65/51/541816551.db2.gz GHBKWTBOOYQDRT-MRXNPFEDSA-N 2 2 361.534 2.284 50 0 FEAALP Cc1c(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cnn1C ZINC000072481235 541822455 /nfs/dbraw/zinc/82/24/55/541822455.db2.gz SJAWAHCNNNGUFH-KRWDZBQOSA-N 2 2 371.533 2.223 50 0 FEAALP Cc1c(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cnn1C ZINC000072481235 541822459 /nfs/dbraw/zinc/82/24/59/541822459.db2.gz SJAWAHCNNNGUFH-KRWDZBQOSA-N 2 2 371.533 2.223 50 0 FEAALP CCC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000074710357 542113826 /nfs/dbraw/zinc/11/38/26/542113826.db2.gz PGEXJIISMYYNQB-UHFFFAOYSA-N 2 2 374.529 2.397 50 0 FEAALP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000076514251 542288113 /nfs/dbraw/zinc/28/81/13/542288113.db2.gz UUPNIZWZCNKHQU-GOSISDBHSA-N 2 2 374.529 2.254 50 0 FEAALP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000076514251 542288118 /nfs/dbraw/zinc/28/81/18/542288118.db2.gz UUPNIZWZCNKHQU-GOSISDBHSA-N 2 2 374.529 2.254 50 0 FEAALP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077407036 542379570 /nfs/dbraw/zinc/37/95/70/542379570.db2.gz BEXIEHVWIIGYBM-OAQYLSRUSA-N 2 2 370.497 2.184 50 0 FEAALP CCn1c[nH+]cc1CNC(=O)C1(Oc2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000065373553 221205590 /nfs/dbraw/zinc/20/55/90/221205590.db2.gz MXBAAIGYBILYKM-UHFFFAOYSA-N 2 2 362.861 2.374 50 0 FEAALP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000067713015 221275212 /nfs/dbraw/zinc/27/52/12/221275212.db2.gz QSPKDDKMGNQDGV-KRWDZBQOSA-N 2 2 365.437 2.389 50 0 FEAALP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000067713015 221275215 /nfs/dbraw/zinc/27/52/15/221275215.db2.gz QSPKDDKMGNQDGV-KRWDZBQOSA-N 2 2 365.437 2.389 50 0 FEAALP CC[C@@H]1CN(C(=O)c2ccc(NCCc3c[nH]c[nH+]3)nc2)CC[N@@H+]1C(C)C ZINC000067804899 221289064 /nfs/dbraw/zinc/28/90/64/221289064.db2.gz JSLGTUYJVAFZSW-GOSISDBHSA-N 2 2 370.501 2.404 50 0 FEAALP CC[C@@H]1CN(C(=O)c2ccc(NCCc3c[nH]c[nH+]3)nc2)CC[N@H+]1C(C)C ZINC000067804899 221289066 /nfs/dbraw/zinc/28/90/66/221289066.db2.gz JSLGTUYJVAFZSW-GOSISDBHSA-N 2 2 370.501 2.404 50 0 FEAALP CC[C@@H]1CN(C(=O)c2ccc(NCCc3c[nH+]c[nH]3)nc2)CC[N@@H+]1C(C)C ZINC000067804899 221289069 /nfs/dbraw/zinc/28/90/69/221289069.db2.gz JSLGTUYJVAFZSW-GOSISDBHSA-N 2 2 370.501 2.404 50 0 FEAALP CC[C@@H]1CN(C(=O)c2ccc(NCCc3c[nH+]c[nH]3)nc2)CC[N@H+]1C(C)C ZINC000067804899 221289072 /nfs/dbraw/zinc/28/90/72/221289072.db2.gz JSLGTUYJVAFZSW-GOSISDBHSA-N 2 2 370.501 2.404 50 0 FEAALP CCn1c[nH+]cc1CN1C(=O)N[C@](CCC(C)C)(C2CC[NH2+]CC2)C1=O ZINC000067755480 221280345 /nfs/dbraw/zinc/28/03/45/221280345.db2.gz KEPUMHGLKGFNCB-LJQANCHMSA-N 2 2 361.490 2.129 50 0 FEAALP CC[C@H]1CN(C(=O)c2cc(C[NH+](C)Cc3ccccc3)on2)CC[N@@H+]1C ZINC000067935346 221307070 /nfs/dbraw/zinc/30/70/70/221307070.db2.gz RRPVBLSVOBVGFA-KRWDZBQOSA-N 2 2 356.470 2.473 50 0 FEAALP CC[C@H]1CN(C(=O)c2cc(C[NH+](C)Cc3ccccc3)on2)CC[N@H+]1C ZINC000067935346 221307074 /nfs/dbraw/zinc/30/70/74/221307074.db2.gz RRPVBLSVOBVGFA-KRWDZBQOSA-N 2 2 356.470 2.473 50 0 FEAALP CC[C@H]1CN(C(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)CC[NH+]1C ZINC000067935346 221307077 /nfs/dbraw/zinc/30/70/77/221307077.db2.gz RRPVBLSVOBVGFA-KRWDZBQOSA-N 2 2 356.470 2.473 50 0 FEAALP CC[C@H]1CN(C(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)CC[NH+]1C ZINC000067935346 221307080 /nfs/dbraw/zinc/30/70/80/221307080.db2.gz RRPVBLSVOBVGFA-KRWDZBQOSA-N 2 2 356.470 2.473 50 0 FEAALP Cc1[nH+]c[nH]c1CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071751905 221363971 /nfs/dbraw/zinc/36/39/71/221363971.db2.gz KOYVSLQSGHHKAU-KRWDZBQOSA-N 2 2 359.518 2.017 50 0 FEAALP Cc1[nH+]c[nH]c1CN1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071751905 221363975 /nfs/dbraw/zinc/36/39/75/221363975.db2.gz KOYVSLQSGHHKAU-KRWDZBQOSA-N 2 2 359.518 2.017 50 0 FEAALP CCc1cc(N2CCC3(CCC(=O)N([C@H]4CC[N@H+](C)C4)C3)CC2)nc(C)[nH+]1 ZINC000091724750 132203363 /nfs/dbraw/zinc/20/33/63/132203363.db2.gz VKXXIKCVWVCLHZ-SFHVURJKSA-N 2 2 371.529 2.261 50 0 FEAALP CCc1cc(N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)nc(C)[nH+]1 ZINC000091724750 132203364 /nfs/dbraw/zinc/20/33/64/132203364.db2.gz VKXXIKCVWVCLHZ-SFHVURJKSA-N 2 2 371.529 2.261 50 0 FEAALP Cc1ccc(CSc2nc(N3CC[N@@H+](C)[C@H](CCO)C3)cc(N)[nH+]2)cc1 ZINC000095383369 132209784 /nfs/dbraw/zinc/20/97/84/132209784.db2.gz VRGPXOXRWHAVRX-MRXNPFEDSA-N 2 2 373.526 2.162 50 0 FEAALP Cc1ccc(CSc2nc(N3CC[N@H+](C)[C@H](CCO)C3)cc(N)[nH+]2)cc1 ZINC000095383369 132209785 /nfs/dbraw/zinc/20/97/85/132209785.db2.gz VRGPXOXRWHAVRX-MRXNPFEDSA-N 2 2 373.526 2.162 50 0 FEAALP CCc1cc(N2CCC([NH2+][C@H]3CN(C(C)C)C[C@@H]3OC)CC2)nc(C)[nH+]1 ZINC000096163527 132221605 /nfs/dbraw/zinc/22/16/05/132221605.db2.gz OVRKPDDYRHUEJM-OALUTQOASA-N 2 2 361.534 2.013 50 0 FEAALP Cc1nc(N2CC[NH+](CCc3ccccc3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244794601 132290780 /nfs/dbraw/zinc/29/07/80/132290780.db2.gz QPVPERXDYBCBLH-KDURUIRLSA-N 2 2 352.482 2.388 50 0 FEAALP C[C@@H](C(=O)NCC[NH+]1CCCC1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684611 136118001 /nfs/dbraw/zinc/11/80/01/136118001.db2.gz KWSWKZZLCQKBKX-INIZCTEOSA-N 2 2 364.921 2.063 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000095373333 542963543 /nfs/dbraw/zinc/96/35/43/542963543.db2.gz ZCSVHMZGABLNRJ-IBGZPJMESA-N 3 2 369.513 2.241 50 0 FEAALP CNc1nc(N2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)[nH+]c2c1CCC2 ZINC000072472795 136149048 /nfs/dbraw/zinc/14/90/48/136149048.db2.gz SZIREEQQZZVZLL-MRXNPFEDSA-N 2 2 359.518 2.213 50 0 FEAALP CNc1nc(N2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)[nH+]c2c1CCC2 ZINC000072472795 136149049 /nfs/dbraw/zinc/14/90/49/136149049.db2.gz SZIREEQQZZVZLL-MRXNPFEDSA-N 2 2 359.518 2.213 50 0 FEAALP CN1CCN(c2ccc(N3CCC([NH2+]CCc4c[nH]c[nH+]4)CC3)cc2)C1=O ZINC000023231362 136152390 /nfs/dbraw/zinc/15/23/90/136152390.db2.gz JXDWWEDWMNGGJH-UHFFFAOYSA-N 2 2 368.485 2.083 50 0 FEAALP CN1CCN(c2ccc(N3CCC([NH2+]CCc4c[nH+]c[nH]4)CC3)cc2)C1=O ZINC000023231362 136152391 /nfs/dbraw/zinc/15/23/91/136152391.db2.gz JXDWWEDWMNGGJH-UHFFFAOYSA-N 2 2 368.485 2.083 50 0 FEAALP O=C1OC2(CN1CCOc1ccccc1)CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC000072458012 221537648 /nfs/dbraw/zinc/53/76/48/221537648.db2.gz OVVQRBAMTCDDFG-QGZVFWFLSA-N 2 2 359.470 2.104 50 0 FEAALP COc1ccccc1/C=C/C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000107436377 222393391 /nfs/dbraw/zinc/39/33/91/222393391.db2.gz JXAFHGITCDVKCB-GZNAHNRGSA-N 2 2 373.541 2.171 50 0 FEAALP COc1ccccc1/C=C/C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000107436377 222393393 /nfs/dbraw/zinc/39/33/93/222393393.db2.gz JXAFHGITCDVKCB-GZNAHNRGSA-N 2 2 373.541 2.171 50 0 FEAALP COc1ccccc1/C=C/CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000107436377 222393397 /nfs/dbraw/zinc/39/33/97/222393397.db2.gz JXAFHGITCDVKCB-GZNAHNRGSA-N 2 2 373.541 2.171 50 0 FEAALP COc1ccccc1/C=C/CN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000107436377 222393401 /nfs/dbraw/zinc/39/34/01/222393401.db2.gz JXAFHGITCDVKCB-GZNAHNRGSA-N 2 2 373.541 2.171 50 0 FEAALP C[NH+](C)Cc1nnc(C2CC[NH+](Cc3cccnc3N)CC2)n1C1CC1 ZINC000082120281 521938451 /nfs/dbraw/zinc/93/84/51/521938451.db2.gz ZEWGSSXSAJTDCE-UHFFFAOYSA-N 2 2 355.490 2.031 50 0 FEAALP COCC[N@H+](C)CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082146757 523574882 /nfs/dbraw/zinc/57/48/82/523574882.db2.gz VFYRONHALHBABY-LJQANCHMSA-N 2 2 370.497 2.216 50 0 FEAALP COCC[N@@H+](C)CC(=O)N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082146757 523574887 /nfs/dbraw/zinc/57/48/87/523574887.db2.gz VFYRONHALHBABY-LJQANCHMSA-N 2 2 370.497 2.216 50 0 FEAALP CN1CCC[C@]2(CC[N@H+](Cc3ccccc3OCCn3cc[nH+]c3)C2)C1=O ZINC000091619958 523859555 /nfs/dbraw/zinc/85/95/55/523859555.db2.gz QEKPKXIAOWSCMS-OAQYLSRUSA-N 2 2 368.481 2.406 50 0 FEAALP CN1CCC[C@]2(CC[N@@H+](Cc3ccccc3OCCn3cc[nH+]c3)C2)C1=O ZINC000091619958 523859559 /nfs/dbraw/zinc/85/95/59/523859559.db2.gz QEKPKXIAOWSCMS-OAQYLSRUSA-N 2 2 368.481 2.406 50 0 FEAALP Cc1c[nH]c(C[NH+]2CCC3(CCC(=O)N(CCCn4cc[nH+]c4)C3)CC2)n1 ZINC000091695815 526014597 /nfs/dbraw/zinc/01/45/97/526014597.db2.gz RLIYCXRFEFJAHH-UHFFFAOYSA-N 2 2 370.501 2.210 50 0 FEAALP O=C1C[C@]2(CC[N@H+](Cc3ccc(OCCCn4cc[nH+]c4)cc3)C2)C(=O)N1 ZINC000082138615 527046383 /nfs/dbraw/zinc/04/63/83/527046383.db2.gz SFMLLIIIQNITHY-FQEVSTJZSA-N 2 2 368.437 2.431 50 0 FEAALP O=C1C[C@]2(CC[N@@H+](Cc3ccc(OCCCn4cc[nH+]c4)cc3)C2)C(=O)N1 ZINC000082138615 527046388 /nfs/dbraw/zinc/04/63/88/527046388.db2.gz SFMLLIIIQNITHY-FQEVSTJZSA-N 2 2 368.437 2.431 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071763335 536020478 /nfs/dbraw/zinc/02/04/78/536020478.db2.gz BTZPNRNXLQJPDQ-KRWDZBQOSA-N 2 2 371.529 2.307 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071763335 536020481 /nfs/dbraw/zinc/02/04/81/536020481.db2.gz BTZPNRNXLQJPDQ-KRWDZBQOSA-N 2 2 371.529 2.307 50 0 FEAALP c1ccc(C[NH+]2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)CC2)cc1 ZINC000218921912 548691601 /nfs/dbraw/zinc/69/16/01/548691601.db2.gz LUBLYSLJQYKENR-CIAFKFPVSA-N 2 2 355.526 2.492 50 0 FEAALP CCn1c(C[N@H+](C)Cc2cccc(-n3cccn3)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252537039 549673219 /nfs/dbraw/zinc/67/32/19/549673219.db2.gz KEWLTXYYWVXOKT-CALCHBBNSA-N 2 2 365.485 2.320 50 0 FEAALP CCn1c(C[N@@H+](C)Cc2cccc(-n3cccn3)c2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252537039 549673221 /nfs/dbraw/zinc/67/32/21/549673221.db2.gz KEWLTXYYWVXOKT-CALCHBBNSA-N 2 2 365.485 2.320 50 0 FEAALP O=C1[C@H]([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569088 549674874 /nfs/dbraw/zinc/67/48/74/549674874.db2.gz VYQAIBMJIACFCN-MJSCVDMRSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569088 549674876 /nfs/dbraw/zinc/67/48/76/549674876.db2.gz VYQAIBMJIACFCN-MJSCVDMRSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569088 549674879 /nfs/dbraw/zinc/67/48/79/549674879.db2.gz VYQAIBMJIACFCN-MJSCVDMRSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CCN1c1c(F)cccc1F ZINC000252569088 549674881 /nfs/dbraw/zinc/67/48/81/549674881.db2.gz VYQAIBMJIACFCN-MJSCVDMRSA-N 2 2 361.436 2.486 50 0 FEAALP CCN(CCc1[nH]c2ccccc2[nH+]1)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426478102 559735414 /nfs/dbraw/zinc/73/54/14/559735414.db2.gz WOZASUCWCNEPEX-CYBMUJFWSA-N 2 2 352.442 2.508 50 0 FEAALP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1 ZINC000685941696 571102031 /nfs/dbraw/zinc/10/20/31/571102031.db2.gz GCFDVQUDFOPZNB-MRXNPFEDSA-N 2 2 356.474 2.029 50 0 FEAALP Cc1cccc([C@@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)[NH+](C)C)c1 ZINC000011838277 539536014 /nfs/dbraw/zinc/53/60/14/539536014.db2.gz FTCJFPFVOOBWKZ-IBGZPJMESA-N 2 2 368.481 2.146 50 0 FEAALP O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1CCCn1cc[nH+]c1 ZINC000012219219 539550637 /nfs/dbraw/zinc/55/06/37/539550637.db2.gz XCIMLLKYYAYNOK-GOSISDBHSA-N 2 2 374.460 2.462 50 0 FEAALP C[NH+]1CCC(N2CC[N@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CCO)CC1 ZINC000019770294 539669013 /nfs/dbraw/zinc/66/90/13/539669013.db2.gz KXMBCOXCLOMYDM-ATKOVBFVSA-N 2 2 361.505 2.302 50 0 FEAALP C[NH+]1CCC(N2CC[N@@H+](C/C=C/c3ccc(F)cc3)C[C@@H]2CCO)CC1 ZINC000019770294 539669015 /nfs/dbraw/zinc/66/90/15/539669015.db2.gz KXMBCOXCLOMYDM-ATKOVBFVSA-N 2 2 361.505 2.302 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCN(C/C=C/c3ccc(F)cc3)C[C@@H]2CCO)CC1 ZINC000019770294 539669017 /nfs/dbraw/zinc/66/90/17/539669017.db2.gz KXMBCOXCLOMYDM-ATKOVBFVSA-N 2 2 361.505 2.302 50 0 FEAALP C[NH+]1CCC([N@H+]2CCN(C/C=C/c3ccc(F)cc3)C[C@@H]2CCO)CC1 ZINC000019770294 539669022 /nfs/dbraw/zinc/66/90/22/539669022.db2.gz KXMBCOXCLOMYDM-ATKOVBFVSA-N 2 2 361.505 2.302 50 0 FEAALP COc1ccccc1C[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000037170645 539996200 /nfs/dbraw/zinc/99/62/00/539996200.db2.gz GGBYBCDJWLPDTM-UHFFFAOYSA-N 2 2 368.481 2.261 50 0 FEAALP COc1ccccc1C[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000037170645 539996202 /nfs/dbraw/zinc/99/62/02/539996202.db2.gz GGBYBCDJWLPDTM-UHFFFAOYSA-N 2 2 368.481 2.261 50 0 FEAALP C[C@@H]1CNC(=O)CC[N@@H+]1Cc1ccccc1OCCCCn1cc[nH+]c1 ZINC000055153932 540631227 /nfs/dbraw/zinc/63/12/27/540631227.db2.gz ZQORTKRCPLDSIQ-QGZVFWFLSA-N 2 2 356.470 2.453 50 0 FEAALP C[C@@H]1CNC(=O)CC[N@H+]1Cc1ccccc1OCCCCn1cc[nH+]c1 ZINC000055153932 540631230 /nfs/dbraw/zinc/63/12/30/540631230.db2.gz ZQORTKRCPLDSIQ-QGZVFWFLSA-N 2 2 356.470 2.453 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(C)c(C)c2)[nH+]cn1 ZINC000072434129 541813449 /nfs/dbraw/zinc/81/34/49/541813449.db2.gz WXUJGXLGFGOXNQ-UHFFFAOYSA-N 2 2 350.426 2.429 50 0 FEAALP O=C(C[NH+]1CCCCCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000012927364 220044434 /nfs/dbraw/zinc/04/44/34/220044434.db2.gz WHFMCLGDTYUHDX-UHFFFAOYSA-N 2 2 359.514 2.401 50 0 FEAALP O=C([C@@H]1C[C@H](C[NH+]2CCCC2)C[N@H+](Cc2ccncc2)C1)N1CCCC1 ZINC000014747404 220132051 /nfs/dbraw/zinc/13/20/51/220132051.db2.gz QJVMGQVOSDXFAE-WOJBJXKFSA-N 2 2 356.514 2.238 50 0 FEAALP O=C([C@@H]1C[C@H](C[NH+]2CCCC2)C[N@@H+](Cc2ccncc2)C1)N1CCCC1 ZINC000014747404 220132054 /nfs/dbraw/zinc/13/20/54/220132054.db2.gz QJVMGQVOSDXFAE-WOJBJXKFSA-N 2 2 356.514 2.238 50 0 FEAALP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000076514253 542288565 /nfs/dbraw/zinc/28/85/65/542288565.db2.gz UUPNIZWZCNKHQU-SFHVURJKSA-N 2 2 374.529 2.254 50 0 FEAALP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000076514253 542288569 /nfs/dbraw/zinc/28/85/69/542288569.db2.gz UUPNIZWZCNKHQU-SFHVURJKSA-N 2 2 374.529 2.254 50 0 FEAALP CSc1ccc2cc(C[NH+]3CCC([N@H+](C)CCO)CC3)c(=O)[nH]c2c1 ZINC000067688903 221271002 /nfs/dbraw/zinc/27/10/02/221271002.db2.gz AIOFWGKBIJCCIM-UHFFFAOYSA-N 2 2 361.511 2.139 50 0 FEAALP CSc1ccc2cc(C[NH+]3CCC([N@@H+](C)CCO)CC3)c(=O)[nH]c2c1 ZINC000067688903 221271005 /nfs/dbraw/zinc/27/10/05/221271005.db2.gz AIOFWGKBIJCCIM-UHFFFAOYSA-N 2 2 361.511 2.139 50 0 FEAALP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000067850313 221294976 /nfs/dbraw/zinc/29/49/76/221294976.db2.gz IPJXDZOLLVVHOI-SFHVURJKSA-N 2 2 362.437 2.116 50 0 FEAALP O=C(c1cc(C[N@@H+]2CCc3ccccc3C2)on1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000067884661 221301587 /nfs/dbraw/zinc/30/15/87/221301587.db2.gz SAPZYHUBKKMPMF-MSOLQXFVSA-N 2 2 366.465 2.199 50 0 FEAALP O=C(c1cc(C[N@H+]2CCc3ccccc3C2)on1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000067884661 221301590 /nfs/dbraw/zinc/30/15/90/221301590.db2.gz SAPZYHUBKKMPMF-MSOLQXFVSA-N 2 2 366.465 2.199 50 0 FEAALP COc1ccc(Cl)c(C[NH+]2CCC3(CC2)C(=O)NCCC[N@H+]3C)c1F ZINC000067894805 221302771 /nfs/dbraw/zinc/30/27/71/221302771.db2.gz RAGPLTRVTWFVFQ-UHFFFAOYSA-N 2 2 369.868 2.274 50 0 FEAALP COc1ccc(Cl)c(C[NH+]2CCC3(CC2)C(=O)NCCC[N@@H+]3C)c1F ZINC000067894805 221302774 /nfs/dbraw/zinc/30/27/74/221302774.db2.gz RAGPLTRVTWFVFQ-UHFFFAOYSA-N 2 2 369.868 2.274 50 0 FEAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000095363705 132208050 /nfs/dbraw/zinc/20/80/50/132208050.db2.gz SYPGJEJCTJCTOB-LJQANCHMSA-N 3 2 372.561 2.428 50 0 FEAALP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000095363705 132208051 /nfs/dbraw/zinc/20/80/51/132208051.db2.gz SYPGJEJCTJCTOB-LJQANCHMSA-N 3 2 372.561 2.428 50 0 FEAALP COc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)nc(N)[nH+]1 ZINC000095504302 132212509 /nfs/dbraw/zinc/21/25/09/132212509.db2.gz KLSGEWCQBKKJMQ-AWEZNQCLSA-N 2 2 365.441 2.091 50 0 FEAALP Cc1[nH+]ccn1CC1(CNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000096151562 132220566 /nfs/dbraw/zinc/22/05/66/132220566.db2.gz OFLREWMFZZOZIY-QGZVFWFLSA-N 2 2 353.470 2.400 50 0 FEAALP C[C@H](c1ccc(-c2ccc(N3CC[NH+](C)CC3)nn2)cc1)[NH+]1CCOCC1 ZINC000097732447 132230825 /nfs/dbraw/zinc/23/08/25/132230825.db2.gz BEQQECOUKQWRJZ-QGZVFWFLSA-N 2 2 367.497 2.289 50 0 FEAALP Cn1c(C[NH+]2CCCCCC2)nnc1C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000091645442 542818043 /nfs/dbraw/zinc/81/80/43/542818043.db2.gz FDFRZIXGXYLWGW-UHFFFAOYSA-N 2 2 357.506 2.294 50 0 FEAALP COc1ccc([C@H]2CN(C(=O)Cc3c[nH+]c4c(C)cccn34)C[C@@H]2[NH3+])cc1 ZINC000092065462 542842385 /nfs/dbraw/zinc/84/23/85/542842385.db2.gz XMSPECQLEOIURI-MOPGFXCFSA-N 2 2 364.449 2.147 50 0 FEAALP C[C@H](CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCOCC1 ZINC000092099115 542846006 /nfs/dbraw/zinc/84/60/06/542846006.db2.gz IRNKDMCZLPMFPU-MRXNPFEDSA-N 2 2 365.905 2.095 50 0 FEAALP O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000067690689 136137391 /nfs/dbraw/zinc/13/73/91/136137391.db2.gz AWVVLONSWKCNMQ-HNNXBMFYSA-N 2 2 372.494 2.334 50 0 FEAALP Cc1cccc(N2CC[NH+](CC(=O)N3CCC[C@H]([NH+](C)C)CC3)CC2)c1 ZINC000072165741 136143476 /nfs/dbraw/zinc/14/34/76/136143476.db2.gz YZCDUIZLHUAGDL-IBGZPJMESA-N 2 2 358.530 2.060 50 0 FEAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc3nonc32)C1 ZINC000095373295 542964068 /nfs/dbraw/zinc/96/40/68/542964068.db2.gz FTMCLRWBBHKGLM-GOEBONIOSA-N 2 2 352.442 2.351 50 0 FEAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc3nonc32)C1 ZINC000095373295 542964071 /nfs/dbraw/zinc/96/40/71/542964071.db2.gz FTMCLRWBBHKGLM-GOEBONIOSA-N 2 2 352.442 2.351 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccccc2O)C1 ZINC000095507814 221934692 /nfs/dbraw/zinc/93/46/92/221934692.db2.gz ZILTYQHNOVZLMR-GOSISDBHSA-N 2 2 370.497 2.489 50 0 FEAALP COc1ccc(-n2ccnc2C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)cc1 ZINC000097637914 222202038 /nfs/dbraw/zinc/20/20/38/222202038.db2.gz SMNKTKDPUKVTIU-UHFFFAOYSA-N 2 2 367.453 2.105 50 0 FEAALP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000025220510 263388720 /nfs/dbraw/zinc/38/87/20/263388720.db2.gz DXEGBYAFQMLDCT-HXUWFJFHSA-N 2 2 359.514 2.124 50 0 FEAALP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000025220510 263388721 /nfs/dbraw/zinc/38/87/21/263388721.db2.gz DXEGBYAFQMLDCT-HXUWFJFHSA-N 2 2 359.514 2.124 50 0 FEAALP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000025220510 263388723 /nfs/dbraw/zinc/38/87/23/263388723.db2.gz DXEGBYAFQMLDCT-HXUWFJFHSA-N 2 2 359.514 2.124 50 0 FEAALP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000025220510 263388725 /nfs/dbraw/zinc/38/87/25/263388725.db2.gz DXEGBYAFQMLDCT-HXUWFJFHSA-N 2 2 359.514 2.124 50 0 FEAALP Cc1cc2[nH]c(CCC(=O)NCC[N@@H+]3CCCC[C@H]3CO)[nH+]c2cc1C ZINC000299769083 534132732 /nfs/dbraw/zinc/13/27/32/534132732.db2.gz IYGCWXSAJVLQPI-INIZCTEOSA-N 2 2 358.486 2.075 50 0 FEAALP Cc1cc2[nH]c(CCC(=O)NCC[N@H+]3CCCC[C@H]3CO)[nH+]c2cc1C ZINC000299769083 534132736 /nfs/dbraw/zinc/13/27/36/534132736.db2.gz IYGCWXSAJVLQPI-INIZCTEOSA-N 2 2 358.486 2.075 50 0 FEAALP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000020169602 526317400 /nfs/dbraw/zinc/31/74/00/526317400.db2.gz LKGLQJRHXYZONS-UHFFFAOYSA-N 2 2 365.905 2.000 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071763336 536019359 /nfs/dbraw/zinc/01/93/59/536019359.db2.gz BTZPNRNXLQJPDQ-QGZVFWFLSA-N 2 2 371.529 2.307 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071763336 536019363 /nfs/dbraw/zinc/01/93/63/536019363.db2.gz BTZPNRNXLQJPDQ-QGZVFWFLSA-N 2 2 371.529 2.307 50 0 FEAALP COc1c(F)cccc1C[N@@H+]1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000218864679 548689864 /nfs/dbraw/zinc/68/98/64/548689864.db2.gz IACPOXMCVLBMLA-SFHVURJKSA-N 2 2 362.449 2.032 50 0 FEAALP COc1c(F)cccc1C[N@H+]1CCCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000218864679 548689872 /nfs/dbraw/zinc/68/98/72/548689872.db2.gz IACPOXMCVLBMLA-SFHVURJKSA-N 2 2 362.449 2.032 50 0 FEAALP Nc1nc(NCCc2nccc(-c3ccccc3)n2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223608708 548721696 /nfs/dbraw/zinc/72/16/96/548721696.db2.gz HHQHUGSKFDQWGG-UHFFFAOYSA-N 2 2 361.453 2.375 50 0 FEAALP c1ccc(OCCC[NH+]2CCOCC2)c(C[N@@H+]2[C@@H]3CC[C@H]2C[NH2+]CC3)c1 ZINC000244778701 548895341 /nfs/dbraw/zinc/89/53/41/548895341.db2.gz PVACNMXZEDUZRS-UXHICEINSA-N 3 2 359.514 2.114 50 0 FEAALP c1ccc(OCCC[NH+]2CCOCC2)c(C[N@H+]2[C@@H]3CC[C@H]2C[NH2+]CC3)c1 ZINC000244778701 548895343 /nfs/dbraw/zinc/89/53/43/548895343.db2.gz PVACNMXZEDUZRS-UXHICEINSA-N 3 2 359.514 2.114 50 0 FEAALP Cc1cccc(C[NH+]2CCN(c3cc([C@H]4CCOC4)[nH+]c(N)n3)CC2)c1 ZINC000426509519 559736368 /nfs/dbraw/zinc/73/63/68/559736368.db2.gz RNDTZXAYMOUYMS-KRWDZBQOSA-N 2 2 353.470 2.193 50 0 FEAALP CN(CCCC[NH+]1CCOCC1)C(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000426550950 559737541 /nfs/dbraw/zinc/73/75/41/559737541.db2.gz AHZLGXBNIBLLKA-UHFFFAOYSA-N 2 2 356.470 2.272 50 0 FEAALP Cc1cc(C)n(-c2cccc(-c3cc(N4CC[NH+](C)CC4)nc(N)[nH+]3)c2)n1 ZINC000426624896 559739197 /nfs/dbraw/zinc/73/91/97/559739197.db2.gz WPYSDTDUFLZCSS-UHFFFAOYSA-N 2 2 363.469 2.280 50 0 FEAALP CC1CC[NH+](CCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000010540285 219905229 /nfs/dbraw/zinc/90/52/29/219905229.db2.gz DKTUSRLNLYLVBH-UHFFFAOYSA-N 2 2 359.514 2.371 50 0 FEAALP C[N@H+](CC(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1)C1CC[NH2+]CC1 ZINC000072124136 541784449 /nfs/dbraw/zinc/78/44/49/541784449.db2.gz ONEFOZNFNBSOJT-HNNXBMFYSA-N 2 2 366.456 2.052 50 0 FEAALP C[N@@H+](CC(=O)N1CCC[C@H](Nc2ccc(F)c(F)c2)C1)C1CC[NH2+]CC1 ZINC000072124136 541784451 /nfs/dbraw/zinc/78/44/51/541784451.db2.gz ONEFOZNFNBSOJT-HNNXBMFYSA-N 2 2 366.456 2.052 50 0 FEAALP CCn1cc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000072424570 541809756 /nfs/dbraw/zinc/80/97/56/541809756.db2.gz NIZPPWVESNHMDW-KRWDZBQOSA-N 2 2 357.506 2.007 50 0 FEAALP CCn1cc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000072424570 541809760 /nfs/dbraw/zinc/80/97/60/541809760.db2.gz NIZPPWVESNHMDW-KRWDZBQOSA-N 2 2 357.506 2.007 50 0 FEAALP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072463532 541817829 /nfs/dbraw/zinc/81/78/29/541817829.db2.gz HJXDWYBCTYVPOQ-OAQYLSRUSA-N 2 2 365.481 2.285 50 0 FEAALP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2c(-c3ccccc3)nc3ncccn23)C1 ZINC000072463532 541817833 /nfs/dbraw/zinc/81/78/33/541817833.db2.gz HJXDWYBCTYVPOQ-OAQYLSRUSA-N 2 2 365.481 2.285 50 0 FEAALP CC[NH+]1CCN(C(=O)C[C@@H]2COCC[N@@H+]2Cc2cc3ccccc3o2)CC1 ZINC000072475285 541819492 /nfs/dbraw/zinc/81/94/92/541819492.db2.gz BMSRNZXCISSBII-GOSISDBHSA-N 2 2 371.481 2.188 50 0 FEAALP CC[NH+]1CCN(C(=O)C[C@@H]2COCC[N@H+]2Cc2cc3ccccc3o2)CC1 ZINC000072475285 541819496 /nfs/dbraw/zinc/81/94/96/541819496.db2.gz BMSRNZXCISSBII-GOSISDBHSA-N 2 2 371.481 2.188 50 0 FEAALP C[N@H+](CCCC[NH+]1CCOCC1)Cc1nc(Cc2ccccc2F)no1 ZINC000012587392 220011504 /nfs/dbraw/zinc/01/15/04/220011504.db2.gz ONVRNZGKYTUUHQ-UHFFFAOYSA-N 2 2 362.449 2.344 50 0 FEAALP C[N@@H+](CCCC[NH+]1CCOCC1)Cc1nc(Cc2ccccc2F)no1 ZINC000012587392 220011506 /nfs/dbraw/zinc/01/15/06/220011506.db2.gz ONVRNZGKYTUUHQ-UHFFFAOYSA-N 2 2 362.449 2.344 50 0 FEAALP O=C(C[NH+]1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1)N1CCCC1 ZINC000013694793 220086914 /nfs/dbraw/zinc/08/69/14/220086914.db2.gz ACXZKYLVIBIEOW-UHFFFAOYSA-N 2 2 373.888 2.270 50 0 FEAALP CC(C)Nc1cc(N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)nc[nH+]1 ZINC000095385155 132209882 /nfs/dbraw/zinc/20/98/82/132209882.db2.gz OHUUOYGRJMFBBC-UHFFFAOYSA-N 2 2 374.533 2.068 50 0 FEAALP CC(C)Nc1cc(N2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)[nH+]cn1 ZINC000095385155 132209883 /nfs/dbraw/zinc/20/98/83/132209883.db2.gz OHUUOYGRJMFBBC-UHFFFAOYSA-N 2 2 374.533 2.068 50 0 FEAALP CNc1nc(N2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)[nH+]c2c1CCC2 ZINC000106994971 132240886 /nfs/dbraw/zinc/24/08/86/132240886.db2.gz SZIREEQQZZVZLL-INIZCTEOSA-N 2 2 359.518 2.213 50 0 FEAALP CNc1nc(N2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)[nH+]c2c1CCC2 ZINC000106994971 132240887 /nfs/dbraw/zinc/24/08/87/132240887.db2.gz SZIREEQQZZVZLL-INIZCTEOSA-N 2 2 359.518 2.213 50 0 FEAALP COC(=O)C1CC[NH+](CCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000026646652 136153233 /nfs/dbraw/zinc/15/32/33/136153233.db2.gz BHYUZPFWYKETSO-UHFFFAOYSA-N 2 2 363.477 2.223 50 0 FEAALP O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000095355034 542957994 /nfs/dbraw/zinc/95/79/94/542957994.db2.gz AKUODXGHXCKFOS-IBGZPJMESA-N 2 2 368.481 2.231 50 0 FEAALP O=C([C@H]1CCC[N@@H+](Cc2ccco2)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000095355034 542957996 /nfs/dbraw/zinc/95/79/96/542957996.db2.gz AKUODXGHXCKFOS-IBGZPJMESA-N 2 2 368.481 2.231 50 0 FEAALP CCCn1ccnc1C[N@@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095387838 542967605 /nfs/dbraw/zinc/96/76/05/542967605.db2.gz XPZYNQXPQFUKPU-MRXNPFEDSA-N 2 2 368.489 2.046 50 0 FEAALP CCCn1ccnc1C[N@H+]1CCC[C@@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000095387838 542967609 /nfs/dbraw/zinc/96/76/09/542967609.db2.gz XPZYNQXPQFUKPU-MRXNPFEDSA-N 2 2 368.489 2.046 50 0 FEAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cc(C)no2)CC1 ZINC000096165560 222064113 /nfs/dbraw/zinc/06/41/13/222064113.db2.gz CWCBDWJYKMIYLV-UHFFFAOYSA-N 2 2 355.446 2.219 50 0 FEAALP Cc1cccc(-c2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)C3)cn2)c1 ZINC000097773040 222211692 /nfs/dbraw/zinc/21/16/92/222211692.db2.gz FJFQUPZHQGWVIC-HXUWFJFHSA-N 2 2 351.498 2.274 50 0 FEAALP Cc1cccc(-c2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)C3)cn2)c1 ZINC000097773040 222211694 /nfs/dbraw/zinc/21/16/94/222211694.db2.gz FJFQUPZHQGWVIC-HXUWFJFHSA-N 2 2 351.498 2.274 50 0 FEAALP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c[nH]nc2-c2cccnc2)nc[nH+]1 ZINC000109069928 222441017 /nfs/dbraw/zinc/44/10/17/222441017.db2.gz KXPQSJNBDVMQDZ-INIZCTEOSA-N 2 2 364.457 2.062 50 0 FEAALP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000077120673 324976879 /nfs/dbraw/zinc/97/68/79/324976879.db2.gz MUVZNGMQROKVCB-UHFFFAOYSA-N 2 2 351.454 2.060 50 0 FEAALP CCn1cc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3CC)CC2)cn1 ZINC000082115244 523368298 /nfs/dbraw/zinc/36/82/98/523368298.db2.gz WUOQCWWERCSWDJ-UHFFFAOYSA-N 2 2 371.533 2.490 50 0 FEAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCC([NH+]2CCSCC2)CC1 ZINC000299790199 534704207 /nfs/dbraw/zinc/70/42/07/534704207.db2.gz BLDDHYICPHPPHG-UHFFFAOYSA-N 2 2 360.483 2.178 50 0 FEAALP CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000299793510 528992697 /nfs/dbraw/zinc/99/26/97/528992697.db2.gz HVWPUNTUBMLCGS-SFHVURJKSA-N 2 2 361.486 2.339 50 0 FEAALP COCC[N@@H+]1CC[C@@H](C(=O)NCCCc2[nH]c3ccc(C)c(C)c3[nH+]2)C1 ZINC000252508489 549671390 /nfs/dbraw/zinc/67/13/90/549671390.db2.gz XOCJSNYLBLEFPM-MRXNPFEDSA-N 2 2 358.486 2.197 50 0 FEAALP COCC[N@H+]1CC[C@@H](C(=O)NCCCc2[nH]c3ccc(C)c(C)c3[nH+]2)C1 ZINC000252508489 549671392 /nfs/dbraw/zinc/67/13/92/549671392.db2.gz XOCJSNYLBLEFPM-MRXNPFEDSA-N 2 2 358.486 2.197 50 0 FEAALP Cn1ncc2c1nc(N[C@H]1CC[N@H+](Cc3ccccc3)CC1(C)C)[nH+]c2N ZINC000328807130 553825307 /nfs/dbraw/zinc/82/53/07/553825307.db2.gz NOMOOVUBLIEONZ-INIZCTEOSA-N 2 2 365.485 2.658 50 0 FEAALP Cn1ncc2c1nc(N[C@H]1CC[N@@H+](Cc3ccccc3)CC1(C)C)[nH+]c2N ZINC000328807130 553825310 /nfs/dbraw/zinc/82/53/10/553825310.db2.gz NOMOOVUBLIEONZ-INIZCTEOSA-N 2 2 365.485 2.658 50 0 FEAALP CNc1cc(C)[nH+]c(-c2ccc(C(=O)NCCn3c[nH+]c(C)c3C)cc2)n1 ZINC000426697334 559740410 /nfs/dbraw/zinc/74/04/10/559740410.db2.gz LYUKQLSMRHPGNC-UHFFFAOYSA-N 2 2 364.453 2.159 50 0 FEAALP Cc1[nH+]c2ccccn2c1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000216037559 568102015 /nfs/dbraw/zinc/10/20/15/568102015.db2.gz ARCFDOASRLHJCY-UHFFFAOYSA-N 2 2 370.497 2.337 50 0 FEAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCCO4)CC3)CC2)n1 ZINC000011937650 539539961 /nfs/dbraw/zinc/53/99/61/539539961.db2.gz NGVWHORLZCTFLY-UHFFFAOYSA-N 2 2 372.513 2.230 50 0 FEAALP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000054694877 540604304 /nfs/dbraw/zinc/60/43/04/540604304.db2.gz KBYQNRLMSZBSRZ-MRXNPFEDSA-N 2 2 370.419 2.237 50 0 FEAALP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000054694877 540604309 /nfs/dbraw/zinc/60/43/09/540604309.db2.gz KBYQNRLMSZBSRZ-MRXNPFEDSA-N 2 2 370.419 2.237 50 0 FEAALP C[NH+](C)Cc1ccccc1CNC(=O)C1([NH+]2CCOCC2)CCCCC1 ZINC000299771473 223089043 /nfs/dbraw/zinc/08/90/43/223089043.db2.gz YMPOJYHGGSBHMY-UHFFFAOYSA-N 2 2 359.514 2.400 50 0 FEAALP O=C(NCCn1cc[nH+]c1)[C@@H]1CC12CC[NH+](CCc1ccccc1)CC2 ZINC000011784780 219932890 /nfs/dbraw/zinc/93/28/90/219932890.db2.gz RTZQIUCUKUTBHQ-IBGZPJMESA-N 2 2 352.482 2.344 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(Cl)cc2)[nH+]cn1 ZINC000072139260 541786461 /nfs/dbraw/zinc/78/64/61/541786461.db2.gz NDEWXKAAEOBZGC-UHFFFAOYSA-N 2 2 356.817 2.466 50 0 FEAALP CCCNC(=O)C[NH+]1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000013694858 220086956 /nfs/dbraw/zinc/08/69/56/220086956.db2.gz SSWHYDGMSCEXBE-UHFFFAOYSA-N 2 2 361.877 2.174 50 0 FEAALP Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCCCn1cc[nH+]c1)C[C@H](C)O2 ZINC000014995059 220140138 /nfs/dbraw/zinc/14/01/38/220140138.db2.gz QYCKLEBBBSZSIQ-KRWDZBQOSA-N 2 2 356.470 2.371 50 0 FEAALP Cc1ccc2c(c1)C[N@H+](CCC(=O)NCCCn1cc[nH+]c1)C[C@H](C)O2 ZINC000014995059 220140141 /nfs/dbraw/zinc/14/01/41/220140141.db2.gz QYCKLEBBBSZSIQ-KRWDZBQOSA-N 2 2 356.470 2.371 50 0 FEAALP c1c[nH]c(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C3CC3)CC2)n1 ZINC000077300506 542363626 /nfs/dbraw/zinc/36/36/26/542363626.db2.gz IZAKFGRATVZDNK-UHFFFAOYSA-N 2 2 355.490 2.312 50 0 FEAALP Cc1c(C[NH+]2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)cnn1C ZINC000077455074 542384538 /nfs/dbraw/zinc/38/45/38/542384538.db2.gz LHAWBAGMYJNLED-UHFFFAOYSA-N 2 2 371.533 2.223 50 0 FEAALP CC(C)(CN1CCC[N@@H+](C2Cc3ccccc3C2)CC1)[NH+]1CCOCC1 ZINC000077554054 542397373 /nfs/dbraw/zinc/39/73/73/542397373.db2.gz LAWFONRRWSRKNI-UHFFFAOYSA-N 2 2 357.542 2.272 50 0 FEAALP CC(C)(CN1CCC[N@H+](C2Cc3ccccc3C2)CC1)[NH+]1CCOCC1 ZINC000077554054 542397375 /nfs/dbraw/zinc/39/73/75/542397375.db2.gz LAWFONRRWSRKNI-UHFFFAOYSA-N 2 2 357.542 2.272 50 0 FEAALP Nc1nc(N2CC[NH+](Cc3cccn3-c3ccc(Cl)cn3)CC2)cc[nH+]1 ZINC000065451127 221220337 /nfs/dbraw/zinc/22/03/37/221220337.db2.gz AHVOQKARAFBPKR-UHFFFAOYSA-N 2 2 369.860 2.220 50 0 FEAALP CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)Cc3ccccc3)on2)CC[N@@H+]1C ZINC000067935345 221306842 /nfs/dbraw/zinc/30/68/42/221306842.db2.gz RRPVBLSVOBVGFA-QGZVFWFLSA-N 2 2 356.470 2.473 50 0 FEAALP CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)Cc3ccccc3)on2)CC[N@H+]1C ZINC000067935345 221306843 /nfs/dbraw/zinc/30/68/43/221306843.db2.gz RRPVBLSVOBVGFA-QGZVFWFLSA-N 2 2 356.470 2.473 50 0 FEAALP CC[C@@H]1CN(C(=O)c2cc(C[N@H+](C)Cc3ccccc3)on2)CC[NH+]1C ZINC000067935345 221306846 /nfs/dbraw/zinc/30/68/46/221306846.db2.gz RRPVBLSVOBVGFA-QGZVFWFLSA-N 2 2 356.470 2.473 50 0 FEAALP CC[C@@H]1CN(C(=O)c2cc(C[N@@H+](C)Cc3ccccc3)on2)CC[NH+]1C ZINC000067935345 221306848 /nfs/dbraw/zinc/30/68/48/221306848.db2.gz RRPVBLSVOBVGFA-QGZVFWFLSA-N 2 2 356.470 2.473 50 0 FEAALP Cc1n[nH]c(C)c1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405767 221346571 /nfs/dbraw/zinc/34/65/71/221346571.db2.gz LGFRNINKDYHBTJ-SFHVURJKSA-N 2 2 373.545 2.325 50 0 FEAALP Cc1n[nH]c(C)c1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405767 221346574 /nfs/dbraw/zinc/34/65/74/221346574.db2.gz LGFRNINKDYHBTJ-SFHVURJKSA-N 2 2 373.545 2.325 50 0 FEAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CC=CC1 ZINC000071754745 221364934 /nfs/dbraw/zinc/36/49/34/221364934.db2.gz XYSBTFZJUPGFBK-LJQANCHMSA-N 2 2 354.498 2.156 50 0 FEAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CC=CC1 ZINC000071754745 221364935 /nfs/dbraw/zinc/36/49/35/221364935.db2.gz XYSBTFZJUPGFBK-LJQANCHMSA-N 2 2 354.498 2.156 50 0 FEAALP Cc1noc(C)c1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071777134 221375492 /nfs/dbraw/zinc/37/54/92/221375492.db2.gz GRLCKSAFNGDZLT-MRXNPFEDSA-N 2 2 360.502 2.246 50 0 FEAALP Cc1noc(C)c1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071777134 221375496 /nfs/dbraw/zinc/37/54/96/221375496.db2.gz GRLCKSAFNGDZLT-MRXNPFEDSA-N 2 2 360.502 2.246 50 0 FEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000082167137 542686123 /nfs/dbraw/zinc/68/61/23/542686123.db2.gz RIVZGSRHWSXWMH-CYBMUJFWSA-N 2 2 357.845 2.461 50 0 FEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000082167137 542686128 /nfs/dbraw/zinc/68/61/28/542686128.db2.gz RIVZGSRHWSXWMH-CYBMUJFWSA-N 2 2 357.845 2.461 50 0 FEAALP CC[NH+]1CCC(CNC(=O)[C@H](c2ccc(C)cc2)[NH+](C)C)([NH+](C)C)CC1 ZINC000091270158 542803026 /nfs/dbraw/zinc/80/30/26/542803026.db2.gz QWVRLPWCUVTDRC-IBGZPJMESA-N 3 2 360.546 2.130 50 0 FEAALP C[N@@H+]1CCC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)C1 ZINC000091830513 542827146 /nfs/dbraw/zinc/82/71/46/542827146.db2.gz GZGOYSOSTLVVOR-IBGZPJMESA-N 2 2 367.497 2.374 50 0 FEAALP C[N@H+]1CCC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)C1 ZINC000091830513 542827150 /nfs/dbraw/zinc/82/71/50/542827150.db2.gz GZGOYSOSTLVVOR-IBGZPJMESA-N 2 2 367.497 2.374 50 0 FEAALP CCCc1nc(N2CC[NH+](Cc3cnn4cccnc34)CC2)cc(C)[nH+]1 ZINC000065409899 136136259 /nfs/dbraw/zinc/13/62/59/136136259.db2.gz MPQBTULACOKEOP-UHFFFAOYSA-N 2 2 351.458 2.102 50 0 FEAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)C(C)(C)C)CC3)[nH+]c(C)n2)c1C ZINC000072437718 136147512 /nfs/dbraw/zinc/14/75/12/136147512.db2.gz ZORAMFCVSZSBDQ-UHFFFAOYSA-N 2 2 356.474 2.282 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000095381018 542965466 /nfs/dbraw/zinc/96/54/66/542965466.db2.gz UWOPFTJFTKZPSG-GOSISDBHSA-N 2 2 350.470 2.482 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000095381018 542965468 /nfs/dbraw/zinc/96/54/68/542965468.db2.gz UWOPFTJFTKZPSG-GOSISDBHSA-N 2 2 350.470 2.482 50 0 FEAALP CCc1[nH+]c2ccccc2n1[C@H](CC)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000095390268 542968372 /nfs/dbraw/zinc/96/83/72/542968372.db2.gz JKAAKGUYGNQBBJ-QGZVFWFLSA-N 2 2 358.486 2.123 50 0 FEAALP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OC)c(OC)c2)nc[nH+]1 ZINC000109070316 543313040 /nfs/dbraw/zinc/31/30/40/543313040.db2.gz QOXOGSODHNKSKA-OAHLLOKOSA-N 2 2 357.458 2.294 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000095501454 221928204 /nfs/dbraw/zinc/92/82/04/221928204.db2.gz YDIPMWOKHINCBK-MRXNPFEDSA-N 2 2 370.501 2.455 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccccn2)C1 ZINC000095526718 221952937 /nfs/dbraw/zinc/95/29/37/221952937.db2.gz MVEYOINKMMOAMF-QGZVFWFLSA-N 2 2 355.486 2.179 50 0 FEAALP COc1ccccc1N1CC[C@@H]([NH+]2CCC(Cc3[nH+]ccn3C)CC2)C1=O ZINC000151084239 544503158 /nfs/dbraw/zinc/50/31/58/544503158.db2.gz BSDOHBKNJGEIKU-GOSISDBHSA-N 2 2 368.481 2.489 50 0 FEAALP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1COCC[NH2+]1 ZINC000168556441 327087217 /nfs/dbraw/zinc/08/72/17/327087217.db2.gz SCFSQXPGBIVDOO-MRXNPFEDSA-N 2 2 372.296 2.062 50 0 FEAALP CC(C)=CC[NH+]1CCC([NH2+]Cc2cc3n(n2)CCCN(C(C)=O)C3)CC1 ZINC000082091170 519427607 /nfs/dbraw/zinc/42/76/07/519427607.db2.gz RZDCBVINENVXGX-UHFFFAOYSA-N 2 2 359.518 2.156 50 0 FEAALP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCn2cccc2)CC1)c1cccc(F)c1 ZINC000091656271 522005773 /nfs/dbraw/zinc/00/57/73/522005773.db2.gz YSVVSLXUEYOXCE-LJQANCHMSA-N 2 2 358.461 2.074 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC(c2nnc(C[NH+]3CCCC3)n2C)CC1 ZINC000077379607 536019509 /nfs/dbraw/zinc/01/95/09/536019509.db2.gz YNILIPASBPUSEH-UHFFFAOYSA-N 2 2 369.517 2.456 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCN(c3ncccc3C(F)(F)F)C[C@H]2CCO)CC1 ZINC000107006149 536339660 /nfs/dbraw/zinc/33/96/60/536339660.db2.gz GIBCYFWFVPMNGA-OAHLLOKOSA-N 2 2 372.435 2.068 50 0 FEAALP C[NH+]1CCC([N@H+]2CCN(c3ncccc3C(F)(F)F)C[C@H]2CCO)CC1 ZINC000107006149 536339662 /nfs/dbraw/zinc/33/96/62/536339662.db2.gz GIBCYFWFVPMNGA-OAHLLOKOSA-N 2 2 372.435 2.068 50 0 FEAALP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1OCC[NH+]1CCOCC1)CC2 ZINC000215489887 548671629 /nfs/dbraw/zinc/67/16/29/548671629.db2.gz IJDVFKSJXGQTEF-UHFFFAOYSA-N 3 2 373.541 2.315 50 0 FEAALP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1OCC[NH+]1CCOCC1)CC2 ZINC000215489887 548671637 /nfs/dbraw/zinc/67/16/37/548671637.db2.gz IJDVFKSJXGQTEF-UHFFFAOYSA-N 3 2 373.541 2.315 50 0 FEAALP C[N@@H+]1CCCN(C(=O)c2ccccc2OC(F)F)CC12CC[NH2+]CC2 ZINC000244626502 548891754 /nfs/dbraw/zinc/89/17/54/548891754.db2.gz FMYCYIWLXKTJQH-UHFFFAOYSA-N 2 2 353.413 2.188 50 0 FEAALP C[N@H+]1CCCN(C(=O)c2ccccc2OC(F)F)CC12CC[NH2+]CC2 ZINC000244626502 548891756 /nfs/dbraw/zinc/89/17/56/548891756.db2.gz FMYCYIWLXKTJQH-UHFFFAOYSA-N 2 2 353.413 2.188 50 0 FEAALP Cn1cc[nH+]c1-c1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000426361415 571215549 /nfs/dbraw/zinc/21/55/49/571215549.db2.gz UXRRNYSUSAFMJL-GOSISDBHSA-N 2 2 356.470 2.270 50 0 FEAALP C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000299781789 529808083 /nfs/dbraw/zinc/80/80/83/529808083.db2.gz LTOITDAXTABWKY-MSOLQXFVSA-N 2 2 358.486 2.219 50 0 FEAALP C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000299781789 529808084 /nfs/dbraw/zinc/80/80/84/529808084.db2.gz LTOITDAXTABWKY-MSOLQXFVSA-N 2 2 358.486 2.219 50 0 FEAALP COc1ccc(C[N@@H+]2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)c2ccccc12 ZINC000011843658 539537576 /nfs/dbraw/zinc/53/75/76/539537576.db2.gz VTVAEXRPNGFTEQ-NHCUHLMSSA-N 2 2 370.493 2.240 50 0 FEAALP COc1ccc(C[N@H+]2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)c2ccccc12 ZINC000011843658 539537579 /nfs/dbraw/zinc/53/75/79/539537579.db2.gz VTVAEXRPNGFTEQ-NHCUHLMSSA-N 2 2 370.493 2.240 50 0 FEAALP O=C(Nc1cccc(N2CCC([NH2+]CCn3cc[nH+]c3)CC2)c1)C1CC1 ZINC000012241852 539551458 /nfs/dbraw/zinc/55/14/58/539551458.db2.gz UUWKSWGTDKUPQT-UHFFFAOYSA-N 2 2 353.470 2.490 50 0 FEAALP O=C(NCCC[NH+]1CCCC1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000033071008 539966238 /nfs/dbraw/zinc/96/62/38/539966238.db2.gz ACFBEXSGNYMHBU-UHFFFAOYSA-N 2 2 355.486 2.381 50 0 FEAALP Cc1[nH+]c2ccccn2c1CC(=O)N1CCCO[C@H](C[NH+]2CCCCC2)C1 ZINC000299758305 223083246 /nfs/dbraw/zinc/08/32/46/223083246.db2.gz LISDSESLFWVEIM-GOSISDBHSA-N 2 2 370.497 2.289 50 0 FEAALP OC1CC[NH+]([C@@H]2CC[N@H+](Cc3cccc(-c4ccco4)c3)C[C@H]2O)CC1 ZINC000012579505 220008997 /nfs/dbraw/zinc/00/89/97/220008997.db2.gz WHQXCWIQZHJQKT-WOJBJXKFSA-N 2 2 356.466 2.339 50 0 FEAALP OC1CC[NH+]([C@@H]2CC[N@@H+](Cc3cccc(-c4ccco4)c3)C[C@H]2O)CC1 ZINC000012579505 220009002 /nfs/dbraw/zinc/00/90/02/220009002.db2.gz WHQXCWIQZHJQKT-WOJBJXKFSA-N 2 2 356.466 2.339 50 0 FEAALP Nc1cc(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc[nH+]1 ZINC000072135344 541786106 /nfs/dbraw/zinc/78/61/06/541786106.db2.gz RAEDGQHOSFRSII-KFKAGJAMSA-N 2 2 357.408 2.404 50 0 FEAALP COCc1ccc(C(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000015067901 220144787 /nfs/dbraw/zinc/14/47/87/220144787.db2.gz WHTMDGLJYFGJBG-AWEZNQCLSA-N 2 2 351.516 2.183 50 0 FEAALP COCc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000015067901 220144790 /nfs/dbraw/zinc/14/47/90/220144790.db2.gz WHTMDGLJYFGJBG-AWEZNQCLSA-N 2 2 351.516 2.183 50 0 FEAALP c1nc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C3CC3)CC2)c[nH]1 ZINC000077337965 542368499 /nfs/dbraw/zinc/36/84/99/542368499.db2.gz FSDRQJAPKMVQSR-UHFFFAOYSA-N 2 2 355.490 2.312 50 0 FEAALP c1ncc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C3CC3)CC2)[nH]1 ZINC000077337965 542368502 /nfs/dbraw/zinc/36/85/02/542368502.db2.gz FSDRQJAPKMVQSR-UHFFFAOYSA-N 2 2 355.490 2.312 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCN(Cc3ccc(F)cc3Cl)C[C@@H]2CCO)CC1 ZINC000020996397 220347965 /nfs/dbraw/zinc/34/79/65/220347965.db2.gz WZZUYULGOGSGTR-SFHVURJKSA-N 2 2 369.912 2.442 50 0 FEAALP C[NH+]1CCC([N@H+]2CCN(Cc3ccc(F)cc3Cl)C[C@@H]2CCO)CC1 ZINC000020996397 220347967 /nfs/dbraw/zinc/34/79/67/220347967.db2.gz WZZUYULGOGSGTR-SFHVURJKSA-N 2 2 369.912 2.442 50 0 FEAALP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000048819990 221014368 /nfs/dbraw/zinc/01/43/68/221014368.db2.gz RNONVTSTMKDIJC-UHFFFAOYSA-N 2 2 354.292 2.091 50 0 FEAALP COc1cc2c(cc1CN1CCC[N@H+](C)C3(CC[NH+](C)CC3)C1)OCO2 ZINC000067588648 221261498 /nfs/dbraw/zinc/26/14/98/221261498.db2.gz RXOQFDWYCXGXMF-UHFFFAOYSA-N 2 2 361.486 2.026 50 0 FEAALP COc1cc2c(cc1CN1CCC[N@@H+](C)C3(CC[NH+](C)CC3)C1)OCO2 ZINC000067588648 221261500 /nfs/dbraw/zinc/26/15/00/221261500.db2.gz RXOQFDWYCXGXMF-UHFFFAOYSA-N 2 2 361.486 2.026 50 0 FEAALP CCCc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000071751874 221363400 /nfs/dbraw/zinc/36/34/00/221363400.db2.gz CZTRTLTYYXIGQE-INIZCTEOSA-N 2 2 361.534 2.127 50 0 FEAALP CCCc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000071751874 221363404 /nfs/dbraw/zinc/36/34/04/221363404.db2.gz CZTRTLTYYXIGQE-INIZCTEOSA-N 2 2 361.534 2.127 50 0 FEAALP C[NH+](C)CC(C)(C)C[N@@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082091504 542683050 /nfs/dbraw/zinc/68/30/50/542683050.db2.gz GIBFJEVLXKLGIY-UHFFFAOYSA-N 2 2 361.534 2.093 50 0 FEAALP C[NH+](C)CC(C)(C)C[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082091504 542683053 /nfs/dbraw/zinc/68/30/53/542683053.db2.gz GIBFJEVLXKLGIY-UHFFFAOYSA-N 2 2 361.534 2.093 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC2(CCC(=O)N([C@H]3CC[N@H+](C)C3)C2)CC1 ZINC000092045489 132205624 /nfs/dbraw/zinc/20/56/24/132205624.db2.gz QMPHVNNUSHOLPE-SFHVURJKSA-N 2 2 371.529 2.261 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC2(CCC(=O)N([C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000092045489 132205625 /nfs/dbraw/zinc/20/56/25/132205625.db2.gz QMPHVNNUSHOLPE-SFHVURJKSA-N 2 2 371.529 2.261 50 0 FEAALP CCc1nc2c(ncnc2N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)o1 ZINC000095509237 132212817 /nfs/dbraw/zinc/21/28/17/132212817.db2.gz NZWXUVISSRAVIH-CQSZACIVSA-N 2 2 369.473 2.322 50 0 FEAALP Cc1ccc2[nH]c(C[NH+]3CCN(C[C@@H]4CCC[N@@H+](C)C4)CC3)cc(=O)c2c1 ZINC000091663144 542819049 /nfs/dbraw/zinc/81/90/49/542819049.db2.gz XWWLMVNRAPRYEH-GOSISDBHSA-N 2 2 368.525 2.296 50 0 FEAALP Cc1ccc2[nH]c(C[NH+]3CCN(C[C@@H]4CCC[N@H+](C)C4)CC3)cc(=O)c2c1 ZINC000091663144 542819051 /nfs/dbraw/zinc/81/90/51/542819051.db2.gz XWWLMVNRAPRYEH-GOSISDBHSA-N 2 2 368.525 2.296 50 0 FEAALP COCC[N@H+](C)C[C@@H]1CN(c2cc(C)c3cc(C)ccc3[nH+]2)C[C@@H]1CO ZINC000091860600 542829073 /nfs/dbraw/zinc/82/90/73/542829073.db2.gz DAVVLXWNIUDCOK-QZTJIDSGSA-N 2 2 357.498 2.475 50 0 FEAALP COCC[N@@H+](C)C[C@@H]1CN(c2cc(C)c3cc(C)ccc3[nH+]2)C[C@@H]1CO ZINC000091860600 542829076 /nfs/dbraw/zinc/82/90/76/542829076.db2.gz DAVVLXWNIUDCOK-QZTJIDSGSA-N 2 2 357.498 2.475 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000095367489 542961574 /nfs/dbraw/zinc/96/15/74/542961574.db2.gz IEFBTECKKISUNS-INIZCTEOSA-N 2 2 352.442 2.145 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000095367489 542961578 /nfs/dbraw/zinc/96/15/78/542961578.db2.gz IEFBTECKKISUNS-INIZCTEOSA-N 2 2 352.442 2.145 50 0 FEAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H]([C@@H]2CCOC2)N2CCOCC2)C1 ZINC000095963473 542984552 /nfs/dbraw/zinc/98/45/52/542984552.db2.gz MEFCXFLNGHCPLT-YJMBLLCNSA-N 2 2 373.541 2.149 50 0 FEAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H]([C@@H]2CCOC2)N2CCOCC2)C1 ZINC000095963473 542984557 /nfs/dbraw/zinc/98/45/57/542984557.db2.gz MEFCXFLNGHCPLT-YJMBLLCNSA-N 2 2 373.541 2.149 50 0 FEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000097813748 222215141 /nfs/dbraw/zinc/21/51/41/222215141.db2.gz MDRBCSDCHKZPEH-LJQANCHMSA-N 2 2 365.905 2.314 50 0 FEAALP CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106153793 222383842 /nfs/dbraw/zinc/38/38/42/222383842.db2.gz LIGHVNDXCUCKEQ-FUHIMQAGSA-N 2 2 374.529 2.432 50 0 FEAALP CC(C)[C@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106153793 222383845 /nfs/dbraw/zinc/38/38/45/222383845.db2.gz LIGHVNDXCUCKEQ-FUHIMQAGSA-N 2 2 374.529 2.432 50 0 FEAALP CCn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000082161094 523372485 /nfs/dbraw/zinc/37/24/85/523372485.db2.gz MSQGBSZUAYBBEW-FQEVSTJZSA-N 2 2 370.501 2.073 50 0 FEAALP CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH+]c[nH]4)C3)C2)cn1 ZINC000082161094 523372493 /nfs/dbraw/zinc/37/24/93/523372493.db2.gz MSQGBSZUAYBBEW-FQEVSTJZSA-N 2 2 370.501 2.073 50 0 FEAALP CCn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000082161094 523372499 /nfs/dbraw/zinc/37/24/99/523372499.db2.gz MSQGBSZUAYBBEW-FQEVSTJZSA-N 2 2 370.501 2.073 50 0 FEAALP CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]c[nH+]4)C3)C2)cn1 ZINC000082161094 523372504 /nfs/dbraw/zinc/37/25/04/523372504.db2.gz MSQGBSZUAYBBEW-FQEVSTJZSA-N 2 2 370.501 2.073 50 0 FEAALP COc1cc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)nc(N)[nH+]1 ZINC000092028669 536825209 /nfs/dbraw/zinc/82/52/09/536825209.db2.gz VBGMTKNJFLUNHY-UHFFFAOYSA-N 2 2 365.441 2.091 50 0 FEAALP C[NH+]1CCN([C@H]2C[N@H+](Cc3ccc(Oc4ccccc4)cc3)C[C@@H]2O)CC1 ZINC000215075272 548667956 /nfs/dbraw/zinc/66/79/56/548667956.db2.gz RETAREQWPZAOLF-VXKWHMMOSA-N 2 2 367.493 2.271 50 0 FEAALP C[NH+]1CCN([C@H]2C[N@@H+](Cc3ccc(Oc4ccccc4)cc3)C[C@@H]2O)CC1 ZINC000215075272 548667958 /nfs/dbraw/zinc/66/79/58/548667958.db2.gz RETAREQWPZAOLF-VXKWHMMOSA-N 2 2 367.493 2.271 50 0 FEAALP Cn1c(Cn2c3ccccc3[nH+]c2N2CCCC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000222309590 548706851 /nfs/dbraw/zinc/70/68/51/548706851.db2.gz YZMYRSSYBAPANB-OKILXGFUSA-N 2 2 351.458 2.018 50 0 FEAALP C[NH+]1CCC([NH+]2CCN(C(=O)NCCc3ccccc3Cl)CC2)CC1 ZINC000426371975 571216345 /nfs/dbraw/zinc/21/63/45/571216345.db2.gz HFXRKBGSHHNBCE-UHFFFAOYSA-N 2 2 364.921 2.304 50 0 FEAALP CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N(C)C[C@H]2CCC[N@@H+]2C)nc1 ZINC000012446359 539560306 /nfs/dbraw/zinc/56/03/06/539560306.db2.gz JAJBWFZGQQKUPM-QGZVFWFLSA-N 2 2 370.501 2.008 50 0 FEAALP CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N(C)C[C@H]2CCC[N@H+]2C)nc1 ZINC000012446359 539560310 /nfs/dbraw/zinc/56/03/10/539560310.db2.gz JAJBWFZGQQKUPM-QGZVFWFLSA-N 2 2 370.501 2.008 50 0 FEAALP Cc1ncsc1CCC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012713975 539571055 /nfs/dbraw/zinc/57/10/55/539571055.db2.gz FHQRUOCLQJSMFI-OAHLLOKOSA-N 2 2 350.532 2.059 50 0 FEAALP Cc1ncsc1CCC(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012713975 539571061 /nfs/dbraw/zinc/57/10/61/539571061.db2.gz FHQRUOCLQJSMFI-OAHLLOKOSA-N 2 2 350.532 2.059 50 0 FEAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](CCCn3cc[nH+]c3)CC2)C1)N1CCCC1 ZINC000071762084 541771448 /nfs/dbraw/zinc/77/14/48/541771448.db2.gz RKISGYYUCAZHHV-IBGZPJMESA-N 3 2 373.545 2.072 50 0 FEAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](CCCn3cc[nH+]c3)CC2)C1)N1CCCC1 ZINC000071762084 541771449 /nfs/dbraw/zinc/77/14/49/541771449.db2.gz RKISGYYUCAZHHV-IBGZPJMESA-N 3 2 373.545 2.072 50 0 FEAALP CN(Cc1cc2n(n1)CCC[NH2+]C2)Cc1[nH+]ccn1Cc1ccccc1 ZINC000072122610 541784500 /nfs/dbraw/zinc/78/45/00/541784500.db2.gz KKDNXNBEJANCRR-UHFFFAOYSA-N 2 2 350.470 2.253 50 0 FEAALP Cc1c(NC(=O)C[N@H+](CCc2ccccc2)C2CC[NH+](C)CC2)cnn1C ZINC000072169658 541794824 /nfs/dbraw/zinc/79/48/24/541794824.db2.gz GKNUTUPBTCLLPM-UHFFFAOYSA-N 2 2 369.513 2.306 50 0 FEAALP Cc1c(NC(=O)C[N@@H+](CCc2ccccc2)C2CC[NH+](C)CC2)cnn1C ZINC000072169658 541794827 /nfs/dbraw/zinc/79/48/27/541794827.db2.gz GKNUTUPBTCLLPM-UHFFFAOYSA-N 2 2 369.513 2.306 50 0 FEAALP CCc1cc(N2CCN(Cc3c[nH+]c(C)[nH]3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065532975 205359403 /nfs/dbraw/zinc/35/94/03/205359403.db2.gz ZCZFBBGZJIHLBD-UHFFFAOYSA-N 2 2 369.517 2.383 50 0 FEAALP CCc1cc(N2CCN(Cc3c[nH]c(C)[nH+]3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065532975 205359408 /nfs/dbraw/zinc/35/94/08/205359408.db2.gz ZCZFBBGZJIHLBD-UHFFFAOYSA-N 2 2 369.517 2.383 50 0 FEAALP C[N@@H+]1CCN(C(=O)C[NH+]2CCOc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000215748238 206350565 /nfs/dbraw/zinc/35/05/65/206350565.db2.gz IBEUVRPPMOFTAP-HXUWFJFHSA-N 2 2 365.477 2.396 50 0 FEAALP C[N@H+]1CCN(C(=O)C[NH+]2CCOc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000215748238 206350570 /nfs/dbraw/zinc/35/05/70/206350570.db2.gz IBEUVRPPMOFTAP-HXUWFJFHSA-N 2 2 365.477 2.396 50 0 FEAALP C[NH+]1CCN(C(=O)C[N@@H+]2CCOc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000215748238 206350576 /nfs/dbraw/zinc/35/05/76/206350576.db2.gz IBEUVRPPMOFTAP-HXUWFJFHSA-N 2 2 365.477 2.396 50 0 FEAALP C[NH+]1CCN(C(=O)C[N@H+]2CCOc3ccccc3C2)C[C@@H]1c1ccccc1 ZINC000215748238 206350579 /nfs/dbraw/zinc/35/05/79/206350579.db2.gz IBEUVRPPMOFTAP-HXUWFJFHSA-N 2 2 365.477 2.396 50 0 FEAALP Nc1nc(N2CCC[N@H+](Cc3ccccc3F)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219376094 206384359 /nfs/dbraw/zinc/38/43/59/206384359.db2.gz LRYTWQNOBFWYRA-UHFFFAOYSA-N 3 2 370.476 2.115 50 0 FEAALP Nc1nc(N2CCC[N@@H+](Cc3ccccc3F)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000219376094 206384362 /nfs/dbraw/zinc/38/43/62/206384362.db2.gz LRYTWQNOBFWYRA-UHFFFAOYSA-N 3 2 370.476 2.115 50 0 FEAALP Cc1ncc(C[NH+]2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)cn1 ZINC000077472501 542386231 /nfs/dbraw/zinc/38/62/31/542386231.db2.gz CAAWDUKUXXGKAL-UHFFFAOYSA-N 2 2 369.517 2.279 50 0 FEAALP CC[NH+]1CCC([NH+]2CCC(c3nnc(CN(C)C)n3C3CC3)CC2)CC1 ZINC000082120607 542684690 /nfs/dbraw/zinc/68/46/90/542684690.db2.gz RHFHGHCGQPYYQX-UHFFFAOYSA-N 2 2 360.550 2.338 50 0 FEAALP CC[NH+]1CCC([NH+]2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)CC1 ZINC000082120607 542684694 /nfs/dbraw/zinc/68/46/94/542684694.db2.gz RHFHGHCGQPYYQX-UHFFFAOYSA-N 3 2 360.550 2.338 50 0 FEAALP CC(C)Nc1cc(N2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)nc[nH+]1 ZINC000106954287 132240734 /nfs/dbraw/zinc/24/07/34/132240734.db2.gz VVLZSQYVOJJWBP-SFHVURJKSA-N 2 2 355.486 2.370 50 0 FEAALP CC(C)Nc1cc(N2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)nc[nH+]1 ZINC000106954287 132240738 /nfs/dbraw/zinc/24/07/38/132240738.db2.gz VVLZSQYVOJJWBP-SFHVURJKSA-N 2 2 355.486 2.370 50 0 FEAALP CC(=O)c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cc1 ZINC000091738072 542822837 /nfs/dbraw/zinc/82/28/37/542822837.db2.gz GITIZEDCLLGCIO-YADHBBJMSA-N 2 2 373.541 2.100 50 0 FEAALP CC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cc1 ZINC000091738072 542822840 /nfs/dbraw/zinc/82/28/40/542822840.db2.gz GITIZEDCLLGCIO-YADHBBJMSA-N 2 2 373.541 2.100 50 0 FEAALP COc1cccc(N2CC[NH+](C[C@]3(O)CCC[N@@H+]4CCCC[C@@H]43)CC2)c1 ZINC000063856866 136132953 /nfs/dbraw/zinc/13/29/53/136132953.db2.gz RIXSJANQEDGGNJ-NHCUHLMSSA-N 2 2 359.514 2.197 50 0 FEAALP COc1cccc(N2CC[NH+](C[C@]3(O)CCC[N@H+]4CCCC[C@@H]43)CC2)c1 ZINC000063856866 136132954 /nfs/dbraw/zinc/13/29/54/136132954.db2.gz RIXSJANQEDGGNJ-NHCUHLMSSA-N 2 2 359.514 2.197 50 0 FEAALP c1cn(C[C@H]2CCCN(c3nc(C4CC4)nc4c3CC[NH2+]CC4)C2)c[nH+]1 ZINC000072408294 136145230 /nfs/dbraw/zinc/14/52/30/136145230.db2.gz SPRWNMPYQNAABK-OAHLLOKOSA-N 2 2 352.486 2.155 50 0 FEAALP CCn1nccc1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095363780 542960860 /nfs/dbraw/zinc/96/08/60/542960860.db2.gz QAXTYDFZDUVSST-UHFFFAOYSA-N 2 2 358.490 2.071 50 0 FEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC000082127209 523188277 /nfs/dbraw/zinc/18/82/77/523188277.db2.gz RXRBNEKHMUPEHT-UHFFFAOYSA-N 2 2 369.517 2.372 50 0 FEAALP COc1cccc([C@H]2CN(C(=O)Cn3c(C)[nH+]c4ccccc43)C[C@@H]2[NH3+])c1 ZINC000091587344 524179432 /nfs/dbraw/zinc/17/94/32/524179432.db2.gz NAVGINYCJAADHD-MSOLQXFVSA-N 2 2 364.449 2.307 50 0 FEAALP O=C1CC[C@@]2(CCC[N@H+](Cc3ccccn3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082120373 526994046 /nfs/dbraw/zinc/99/40/46/526994046.db2.gz DIVQVTRKPPGBMJ-HXUWFJFHSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3ccccn3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082120373 526994056 /nfs/dbraw/zinc/99/40/56/526994056.db2.gz DIVQVTRKPPGBMJ-HXUWFJFHSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@@]2(CCC[N@H+](Cc3ccccn3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082120373 526994066 /nfs/dbraw/zinc/99/40/66/526994066.db2.gz DIVQVTRKPPGBMJ-HXUWFJFHSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@@]2(CCC[N@@H+](Cc3ccccn3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082120373 526994070 /nfs/dbraw/zinc/99/40/70/526994070.db2.gz DIVQVTRKPPGBMJ-HXUWFJFHSA-N 2 2 353.470 2.252 50 0 FEAALP C[NH+](C)CCn1cc[nH+]c1[C@@H]1CCCN(c2nccnc2N2CCCC2)C1 ZINC000095355703 535936973 /nfs/dbraw/zinc/93/69/73/535936973.db2.gz AYZUDRAJVIDKTI-QGZVFWFLSA-N 2 2 369.517 2.219 50 0 FEAALP COc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)nc(N)[nH+]1 ZINC000095520366 536828537 /nfs/dbraw/zinc/82/85/37/536828537.db2.gz OTAYQVRKULVYOB-OAHLLOKOSA-N 2 2 365.441 2.091 50 0 FEAALP COCCn1c(C[NH2+]C2(c3ccccc3C)CC2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244763886 548894637 /nfs/dbraw/zinc/89/46/37/548894637.db2.gz OXCQCGSTIFQHIG-WKILWMFISA-N 2 2 355.486 2.217 50 0 FEAALP Cc1[nH+]ccn1-c1ccccc1CNc1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000244794935 548894891 /nfs/dbraw/zinc/89/48/91/548894891.db2.gz QWPDVDAYTJKLIB-GASCZTMLSA-N 2 2 350.426 2.403 50 0 FEAALP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245595867 548955042 /nfs/dbraw/zinc/95/50/42/548955042.db2.gz LLBMWKQZZQMYSU-RKVPGOIHSA-N 2 2 367.453 2.140 50 0 FEAALP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245595867 548955044 /nfs/dbraw/zinc/95/50/44/548955044.db2.gz LLBMWKQZZQMYSU-RKVPGOIHSA-N 2 2 367.453 2.140 50 0 FEAALP Cc1[nH]c2ccc(CC(=O)N3CCC([NH+]4CCSCC4)CC3)cc2[nH+]1 ZINC000299760137 553610942 /nfs/dbraw/zinc/61/09/42/553610942.db2.gz NUHBDXXMFLSQEM-UHFFFAOYSA-N 2 2 358.511 2.454 50 0 FEAALP Cc1[nH]c2cc(CC(=O)N3CCC([NH+]4CCSCC4)CC3)ccc2[nH+]1 ZINC000299760137 553610943 /nfs/dbraw/zinc/61/09/43/553610943.db2.gz NUHBDXXMFLSQEM-UHFFFAOYSA-N 2 2 358.511 2.454 50 0 FEAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000299755683 553610952 /nfs/dbraw/zinc/61/09/52/553610952.db2.gz CTLXVYWBXVCYFN-LJQANCHMSA-N 2 2 354.454 2.199 50 0 FEAALP O=C(NC1CC[NH+](Cc2cccc(O)c2)CC1)C1(Cn2cc[nH+]c2)CC1 ZINC000299769266 553612757 /nfs/dbraw/zinc/61/27/57/553612757.db2.gz VUVHGGRJYAIPNP-UHFFFAOYSA-N 2 2 354.454 2.150 50 0 FEAALP C[C@@H](CNC(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000534580425 562537190 /nfs/dbraw/zinc/53/71/90/562537190.db2.gz DGRJCEMCYMVZRO-KRWDZBQOSA-N 2 2 367.497 2.329 50 0 FEAALP C[C@@H](CNC(=O)N1CCC[N@H+](C2Cc3ccccc3C2)CC1)n1cc[nH+]c1 ZINC000534580425 562537191 /nfs/dbraw/zinc/53/71/91/562537191.db2.gz DGRJCEMCYMVZRO-KRWDZBQOSA-N 2 2 367.497 2.329 50 0 FEAALP Cc1cccc([C@@H](C)NC(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC000534640391 562538945 /nfs/dbraw/zinc/53/89/45/562538945.db2.gz UXLMVSKGVQKBLO-QGZVFWFLSA-N 2 2 359.518 2.263 50 0 FEAALP Cc1cccc([C@@H](C)NC(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)n1 ZINC000534640391 562538946 /nfs/dbraw/zinc/53/89/46/562538946.db2.gz UXLMVSKGVQKBLO-QGZVFWFLSA-N 2 2 359.518 2.263 50 0 FEAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+]1CCOc2ccccc2C1 ZINC000670456116 571353982 /nfs/dbraw/zinc/35/39/82/571353982.db2.gz YXNQCIFKXCBBHX-GOSISDBHSA-N 2 2 356.470 2.309 50 0 FEAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@H+]1CCOc2ccccc2C1 ZINC000670456116 571353983 /nfs/dbraw/zinc/35/39/83/571353983.db2.gz YXNQCIFKXCBBHX-GOSISDBHSA-N 2 2 356.470 2.309 50 0 FEAALP Cc1[nH+]cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccnc2)C3=O)n1C ZINC000012444464 539560199 /nfs/dbraw/zinc/56/01/99/539560199.db2.gz PNLGHZPIXQWZBQ-FQEVSTJZSA-N 2 2 353.470 2.138 50 0 FEAALP Cc1[nH+]cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccnc2)C3=O)n1C ZINC000012444464 539560205 /nfs/dbraw/zinc/56/02/05/539560205.db2.gz PNLGHZPIXQWZBQ-FQEVSTJZSA-N 2 2 353.470 2.138 50 0 FEAALP Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C2)c1 ZINC000012703619 539571371 /nfs/dbraw/zinc/57/13/71/539571371.db2.gz UBUVIHIMBZTRAJ-GOSISDBHSA-N 2 2 367.559 2.340 50 0 FEAALP Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)c1 ZINC000012703619 539571374 /nfs/dbraw/zinc/57/13/74/539571374.db2.gz UBUVIHIMBZTRAJ-GOSISDBHSA-N 2 2 367.559 2.340 50 0 FEAALP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2F)C1)Cc1cccnc1 ZINC000015065818 539610986 /nfs/dbraw/zinc/61/09/86/539610986.db2.gz HQNTVCHOTNXLJM-LJQANCHMSA-N 2 2 370.472 2.433 50 0 FEAALP C[N@@H+](CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2F)C1)Cc1cccnc1 ZINC000015065818 539610989 /nfs/dbraw/zinc/61/09/89/539610989.db2.gz HQNTVCHOTNXLJM-LJQANCHMSA-N 2 2 370.472 2.433 50 0 FEAALP C[NH+](CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)Cc1cccnc1 ZINC000015065818 539610991 /nfs/dbraw/zinc/61/09/91/539610991.db2.gz HQNTVCHOTNXLJM-LJQANCHMSA-N 2 2 370.472 2.433 50 0 FEAALP C[NH+](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)Cc1cccnc1 ZINC000015065818 539610994 /nfs/dbraw/zinc/61/09/94/539610994.db2.gz HQNTVCHOTNXLJM-LJQANCHMSA-N 2 2 370.472 2.433 50 0 FEAALP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000025220504 539750976 /nfs/dbraw/zinc/75/09/76/539750976.db2.gz DXEGBYAFQMLDCT-FQEVSTJZSA-N 2 2 359.514 2.124 50 0 FEAALP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](Cc2ccccc2)C2CC2)C1 ZINC000025220504 539750978 /nfs/dbraw/zinc/75/09/78/539750978.db2.gz DXEGBYAFQMLDCT-FQEVSTJZSA-N 2 2 359.514 2.124 50 0 FEAALP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000025220504 539750983 /nfs/dbraw/zinc/75/09/83/539750983.db2.gz DXEGBYAFQMLDCT-FQEVSTJZSA-N 2 2 359.514 2.124 50 0 FEAALP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000025220504 539750989 /nfs/dbraw/zinc/75/09/89/539750989.db2.gz DXEGBYAFQMLDCT-FQEVSTJZSA-N 2 2 359.514 2.124 50 0 FEAALP C[NH+](C)Cc1cc2n(n1)CCC[N@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000072164589 541793105 /nfs/dbraw/zinc/79/31/05/541793105.db2.gz USQGECIJKBRTLK-UHFFFAOYSA-N 2 2 360.531 2.407 50 0 FEAALP C[NH+](C)Cc1cc2n(n1)CCC[N@@H+](Cc1cnc(N3CCCC3)s1)C2 ZINC000072164589 541793109 /nfs/dbraw/zinc/79/31/09/541793109.db2.gz USQGECIJKBRTLK-UHFFFAOYSA-N 2 2 360.531 2.407 50 0 FEAALP CN(Cc1[nH]cc[nH+]1)c1ncnc2c1CC[N@H+](Cc1cccs1)CC2 ZINC000072436386 541814339 /nfs/dbraw/zinc/81/43/39/541814339.db2.gz QDWXNZBGIJXQDA-UHFFFAOYSA-N 2 2 354.483 2.498 50 0 FEAALP CN(Cc1[nH]cc[nH+]1)c1ncnc2c1CC[N@@H+](Cc1cccs1)CC2 ZINC000072436386 541814342 /nfs/dbraw/zinc/81/43/42/541814342.db2.gz QDWXNZBGIJXQDA-UHFFFAOYSA-N 2 2 354.483 2.498 50 0 FEAALP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000058210699 205261942 /nfs/dbraw/zinc/26/19/42/205261942.db2.gz QXBJAKQAYXHJHU-CALCHBBNSA-N 2 2 371.485 2.171 50 0 FEAALP C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000058210699 205261947 /nfs/dbraw/zinc/26/19/47/205261947.db2.gz QXBJAKQAYXHJHU-CALCHBBNSA-N 2 2 371.485 2.171 50 0 FEAALP Cc1[nH+]c(N(C)C)nc(N2CC[NH+](Cc3cnn(C)c3C3CC3)CC2)c1C ZINC000065433992 205350898 /nfs/dbraw/zinc/35/08/98/205350898.db2.gz KDFFEHICZIDHHZ-UHFFFAOYSA-N 2 2 369.517 2.093 50 0 FEAALP C=Cc1cccc(C[N@@H+]2C[C@H]3OC(=O)N(CCC[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000067559370 205375339 /nfs/dbraw/zinc/37/53/39/205375339.db2.gz MJUMGWSYXLHWMI-VQTJNVASSA-N 2 2 371.481 2.057 50 0 FEAALP C=Cc1cccc(C[N@H+]2C[C@H]3OC(=O)N(CCC[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000067559370 205375343 /nfs/dbraw/zinc/37/53/43/205375343.db2.gz MJUMGWSYXLHWMI-VQTJNVASSA-N 2 2 371.481 2.057 50 0 FEAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](Cc1c[nH]nc1-c1cccc(F)c1)CC2 ZINC000067605744 205376107 /nfs/dbraw/zinc/37/61/07/205376107.db2.gz BTKUWPRWNFYKNG-UHFFFAOYSA-N 2 2 371.460 2.002 50 0 FEAALP C[N@H+]1CCCNC(=O)C12CC[NH+](Cc1c[nH]nc1-c1cccc(F)c1)CC2 ZINC000067605744 205376112 /nfs/dbraw/zinc/37/61/12/205376112.db2.gz BTKUWPRWNFYKNG-UHFFFAOYSA-N 2 2 371.460 2.002 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(C)cc2)[nH+]c(C)n1 ZINC000067612726 205376341 /nfs/dbraw/zinc/37/63/41/205376341.db2.gz XXXHDBYTWMCEMK-UHFFFAOYSA-N 2 2 350.426 2.429 50 0 FEAALP CC(C)n1c[nH+]cc1Cn1nc([C@H]2CCC[NH2+]C2)n(-c2ccccc2)c1=O ZINC000067714506 205385189 /nfs/dbraw/zinc/38/51/89/205385189.db2.gz NDELYLUDHWSMHV-INIZCTEOSA-N 2 2 366.469 2.327 50 0 FEAALP Cc1cc(C)c(C[N@@H+]2CCO[C@H](C(N)=O)C2)cc1C[NH+]1CCC(C)CC1 ZINC000214976211 206342834 /nfs/dbraw/zinc/34/28/34/206342834.db2.gz CRGHPZKYTDOCKH-FQEVSTJZSA-N 2 2 359.514 2.221 50 0 FEAALP Cc1cc(C)c(C[N@H+]2CCO[C@H](C(N)=O)C2)cc1C[NH+]1CCC(C)CC1 ZINC000214976211 206342837 /nfs/dbraw/zinc/34/28/37/206342837.db2.gz CRGHPZKYTDOCKH-FQEVSTJZSA-N 2 2 359.514 2.221 50 0 FEAALP CCOc1cc(C[N@@H+]2CCC(=O)NC[C@H]2C)ccc1OCCn1cc[nH+]c1 ZINC000215929527 206351849 /nfs/dbraw/zinc/35/18/49/206351849.db2.gz BVDQGCGQAJTLIL-MRXNPFEDSA-N 2 2 372.469 2.071 50 0 FEAALP CCOc1cc(C[N@H+]2CCC(=O)NC[C@H]2C)ccc1OCCn1cc[nH+]c1 ZINC000215929527 206351852 /nfs/dbraw/zinc/35/18/52/206351852.db2.gz BVDQGCGQAJTLIL-MRXNPFEDSA-N 2 2 372.469 2.071 50 0 FEAALP CC(=O)NCC1CC[NH+](Cc2ccc(OCCn3cc[nH+]c3)cc2)CC1 ZINC000077355472 542372011 /nfs/dbraw/zinc/37/20/11/542372011.db2.gz ORJBLCYETMHZHM-UHFFFAOYSA-N 2 2 356.470 2.310 50 0 FEAALP C[NH+]1CCN(C(=O)N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)CC1 ZINC000082099198 542683322 /nfs/dbraw/zinc/68/33/22/542683322.db2.gz LVAKYZDZKBUGHH-UHFFFAOYSA-N 2 2 367.497 2.478 50 0 FEAALP CCCCSc1nc(N)cc(N2CCC([NH+]3CCC(O)CC3)CC2)[nH+]1 ZINC000095366221 132208465 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CCCc1cc(N2CCC([N@H+]3CCCN(C(C)=O)CC3)CC2)nc(C)[nH+]1 ZINC000095519788 132213838 /nfs/dbraw/zinc/21/38/38/132213838.db2.gz NKIWYTABZUDJMZ-UHFFFAOYSA-N 2 2 359.518 2.261 50 0 FEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCN2CCN(c3ccccc3)CC2)C1 ZINC000244626634 132289867 /nfs/dbraw/zinc/28/98/67/132289867.db2.gz FPNRIXWDEDGDKC-LJQANCHMSA-N 2 2 353.514 2.422 50 0 FEAALP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCN2CCN(c3ccccc3)CC2)C1 ZINC000244626634 132289868 /nfs/dbraw/zinc/28/98/68/132289868.db2.gz FPNRIXWDEDGDKC-LJQANCHMSA-N 2 2 353.514 2.422 50 0 FEAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000092106866 542846089 /nfs/dbraw/zinc/84/60/89/542846089.db2.gz WJNZFPBEJSLLBK-UHFFFAOYSA-N 2 2 370.453 2.193 50 0 FEAALP Cc1[nH+]cc(C[N@@H+]2CCc3nc(C)nc(N4CC=CCC4)c3CC2)n1C ZINC000072426356 136146455 /nfs/dbraw/zinc/14/64/55/136146455.db2.gz KYGGQTUUAIOVPE-UHFFFAOYSA-N 2 2 352.486 2.194 50 0 FEAALP Cc1[nH+]cc(C[N@H+]2CCc3nc(C)nc(N4CC=CCC4)c3CC2)n1C ZINC000072426356 136146456 /nfs/dbraw/zinc/14/64/56/136146456.db2.gz KYGGQTUUAIOVPE-UHFFFAOYSA-N 2 2 352.486 2.194 50 0 FEAALP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)Nc3ccc4c[nH]nc4c3)CC2)C1 ZINC000095499029 542974038 /nfs/dbraw/zinc/97/40/38/542974038.db2.gz FSUKMEFPROGLJX-OAHLLOKOSA-N 2 2 356.474 2.054 50 0 FEAALP C[N@H+]1CCC[C@@H](C[NH+]2CCN(C(=O)Nc3ccc4c[nH]nc4c3)CC2)C1 ZINC000095499029 542974040 /nfs/dbraw/zinc/97/40/40/542974040.db2.gz FSUKMEFPROGLJX-OAHLLOKOSA-N 2 2 356.474 2.054 50 0 FEAALP Cc1noc(C)c1C(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095530508 542981569 /nfs/dbraw/zinc/98/15/69/542981569.db2.gz WFRVPDBPVYOGEG-MRXNPFEDSA-N 2 2 359.474 2.459 50 0 FEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2cccnc2N)CC1 ZINC000082097435 523189092 /nfs/dbraw/zinc/18/90/92/523189092.db2.gz BAGZMSHURAXYRA-UHFFFAOYSA-N 2 2 369.517 2.251 50 0 FEAALP O[C@H](COCc1ccccc1)C[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000162480984 546140369 /nfs/dbraw/zinc/14/03/69/546140369.db2.gz ABAZLPVYBFSBHY-KRWDZBQOSA-N 2 2 361.873 2.435 50 0 FEAALP CCCn1cc[nH+]c1CN1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000230183552 548759341 /nfs/dbraw/zinc/75/93/41/548759341.db2.gz STSCYWXWVVIESN-OAQYLSRUSA-N 2 2 373.545 2.202 50 0 FEAALP COc1cc(NC(=O)C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc(OC)c1 ZINC000252490714 549669176 /nfs/dbraw/zinc/66/91/76/549669176.db2.gz KZMNYWCVEYBHJI-UHFFFAOYSA-N 2 2 370.453 2.168 50 0 FEAALP C[NH+]1CCC([NH+]2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)CC1 ZINC000426509270 559736182 /nfs/dbraw/zinc/73/61/82/559736182.db2.gz DFMOSHXRHYTVCQ-UHFFFAOYSA-N 2 2 350.894 2.261 50 0 FEAALP C[N@H+](CC(=O)NC1CC[NH+](C2CCOCC2)CC1)Cc1ccccc1F ZINC000426534052 559737194 /nfs/dbraw/zinc/73/71/94/559737194.db2.gz LKAMWMHCNQUGRK-UHFFFAOYSA-N 2 2 363.477 2.017 50 0 FEAALP C[N@@H+](CC(=O)NC1CC[NH+](C2CCOCC2)CC1)Cc1ccccc1F ZINC000426534052 559737195 /nfs/dbraw/zinc/73/71/95/559737195.db2.gz LKAMWMHCNQUGRK-UHFFFAOYSA-N 2 2 363.477 2.017 50 0 FEAALP C[N@@H+]1CC[C@@](C)(CNC(=O)N(CCCn2cc[nH+]c2)Cc2ccncc2)C1 ZINC000426621645 559739204 /nfs/dbraw/zinc/73/92/04/559739204.db2.gz LXYZNKYVQAAHNI-FQEVSTJZSA-N 2 2 370.501 2.222 50 0 FEAALP C[N@H+]1CC[C@@](C)(CNC(=O)N(CCCn2cc[nH+]c2)Cc2ccncc2)C1 ZINC000426621645 559739205 /nfs/dbraw/zinc/73/92/05/559739205.db2.gz LXYZNKYVQAAHNI-FQEVSTJZSA-N 2 2 370.501 2.222 50 0 FEAALP Nc1cc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)nc(N)[nH+]1 ZINC000426414668 571138147 /nfs/dbraw/zinc/13/81/47/571138147.db2.gz PRJYKFARLLMUEL-LJQANCHMSA-N 2 2 356.449 2.273 50 0 FEAALP Nc1cc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)nc(N)[nH+]1 ZINC000426414668 571138150 /nfs/dbraw/zinc/13/81/50/571138150.db2.gz PRJYKFARLLMUEL-LJQANCHMSA-N 2 2 356.449 2.273 50 0 FEAALP Nc1cc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)[nH+]c(N)n1 ZINC000426414668 571138151 /nfs/dbraw/zinc/13/81/51/571138151.db2.gz PRJYKFARLLMUEL-LJQANCHMSA-N 2 2 356.449 2.273 50 0 FEAALP Nc1cc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)[nH+]c(N)n1 ZINC000426414668 571138154 /nfs/dbraw/zinc/13/81/54/571138154.db2.gz PRJYKFARLLMUEL-LJQANCHMSA-N 2 2 356.449 2.273 50 0 FEAALP CC(C)[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000012716013 539571117 /nfs/dbraw/zinc/57/11/17/539571117.db2.gz CINKTDOZVHODLX-IBGZPJMESA-N 3 2 364.578 2.172 50 0 FEAALP CC(C)[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000012716013 539571123 /nfs/dbraw/zinc/57/11/23/539571123.db2.gz CINKTDOZVHODLX-IBGZPJMESA-N 3 2 364.578 2.172 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(C)cc2)C3)CC1 ZINC000015779421 539623118 /nfs/dbraw/zinc/62/31/18/539623118.db2.gz UQFDAPSJLOLVEL-UHFFFAOYSA-N 2 2 351.498 2.485 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(C)cc2)C3)CC1 ZINC000015779421 539623121 /nfs/dbraw/zinc/62/31/21/539623121.db2.gz UQFDAPSJLOLVEL-UHFFFAOYSA-N 2 2 351.498 2.485 50 0 FEAALP CCn1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071639404 541768433 /nfs/dbraw/zinc/76/84/33/541768433.db2.gz BRTOSTIJGZECKM-LJQANCHMSA-N 2 2 373.545 2.202 50 0 FEAALP CCn1cc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071639404 541768437 /nfs/dbraw/zinc/76/84/37/541768437.db2.gz BRTOSTIJGZECKM-LJQANCHMSA-N 2 2 373.545 2.202 50 0 FEAALP COc1ccc(N2CC[N@H+](Cc3cccc(CC[NH3+])c3)[C@@H](C)C2=O)cc1 ZINC000072144273 541787112 /nfs/dbraw/zinc/78/71/12/541787112.db2.gz RPOMMJBZLHPNIK-INIZCTEOSA-N 2 2 353.466 2.434 50 0 FEAALP COc1ccc(N2CC[N@@H+](Cc3cccc(CC[NH3+])c3)[C@@H](C)C2=O)cc1 ZINC000072144273 541787114 /nfs/dbraw/zinc/78/71/14/541787114.db2.gz RPOMMJBZLHPNIK-INIZCTEOSA-N 2 2 353.466 2.434 50 0 FEAALP Cc1[nH+]c2ccccc2n1CCC(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072423938 541810004 /nfs/dbraw/zinc/81/00/04/541810004.db2.gz PRXGNDOCFJERFG-UHFFFAOYSA-N 2 2 363.465 2.400 50 0 FEAALP Cc1cc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)on1 ZINC000072436280 541814004 /nfs/dbraw/zinc/81/40/04/541814004.db2.gz VLZSJQRLPQJYPA-INIZCTEOSA-N 2 2 358.490 2.477 50 0 FEAALP Cc1cc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)on1 ZINC000072436280 541814009 /nfs/dbraw/zinc/81/40/09/541814009.db2.gz VLZSJQRLPQJYPA-INIZCTEOSA-N 2 2 358.490 2.477 50 0 FEAALP CCc1ncc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000072457010 541817160 /nfs/dbraw/zinc/81/71/60/541817160.db2.gz UZLUJOBDCBCDNJ-QGZVFWFLSA-N 2 2 369.517 2.143 50 0 FEAALP CCc1ncc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)cn1 ZINC000072457010 541817162 /nfs/dbraw/zinc/81/71/62/541817162.db2.gz UZLUJOBDCBCDNJ-QGZVFWFLSA-N 2 2 369.517 2.143 50 0 FEAALP Cc1ccc([C@@H](NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c2ccncc2)cc1 ZINC000299781929 203768293 /nfs/dbraw/zinc/76/82/93/203768293.db2.gz FGDKHMWVJNVBEG-OAQYLSRUSA-N 2 2 352.482 2.279 50 0 FEAALP Cc1ccc([C@@H](NC(=O)C[N@H+](C)C2CC[NH2+]CC2)c2ccncc2)cc1 ZINC000299781929 203768296 /nfs/dbraw/zinc/76/82/96/203768296.db2.gz FGDKHMWVJNVBEG-OAQYLSRUSA-N 2 2 352.482 2.279 50 0 FEAALP CCc1ccc(C[NH+]2CCN(c3nc(N(C)C)[nH+]c(C)c3C)CC2)nc1 ZINC000065460189 205351626 /nfs/dbraw/zinc/35/16/26/205351626.db2.gz UNAUEOTUCQLMEG-UHFFFAOYSA-N 2 2 354.502 2.439 50 0 FEAALP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000077338640 542368477 /nfs/dbraw/zinc/36/84/77/542368477.db2.gz LDNVCHSLYQWWAD-HXUWFJFHSA-N 2 2 355.457 2.430 50 0 FEAALP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000077338640 542368481 /nfs/dbraw/zinc/36/84/81/542368481.db2.gz LDNVCHSLYQWWAD-HXUWFJFHSA-N 2 2 355.457 2.430 50 0 FEAALP O=C(C[N@@H+]1CCc2ccccc2C1)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000077485659 542387178 /nfs/dbraw/zinc/38/71/78/542387178.db2.gz YBANNVIXGRRUAX-UHFFFAOYSA-N 2 2 364.493 2.174 50 0 FEAALP O=C(C[N@H+]1CCc2ccccc2C1)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000077485659 542387181 /nfs/dbraw/zinc/38/71/81/542387181.db2.gz YBANNVIXGRRUAX-UHFFFAOYSA-N 2 2 364.493 2.174 50 0 FEAALP O=C(C[NH+]1CCc2ccccc2C1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077485659 542387184 /nfs/dbraw/zinc/38/71/84/542387184.db2.gz YBANNVIXGRRUAX-UHFFFAOYSA-N 2 2 364.493 2.174 50 0 FEAALP O=C(C[NH+]1CCc2ccccc2C1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077485659 542387185 /nfs/dbraw/zinc/38/71/85/542387185.db2.gz YBANNVIXGRRUAX-UHFFFAOYSA-N 2 2 364.493 2.174 50 0 FEAALP Cc1cn2cc(C(=O)N3CCC[N@H+](CCC[NH+]4CCCC4)CC3)ccc2n1 ZINC000082162051 542686535 /nfs/dbraw/zinc/68/65/35/542686535.db2.gz IJIGFLBKWOPUGF-UHFFFAOYSA-N 2 2 369.513 2.277 50 0 FEAALP Cc1cn2cc(C(=O)N3CCC[N@@H+](CCC[NH+]4CCCC4)CC3)ccc2n1 ZINC000082162051 542686537 /nfs/dbraw/zinc/68/65/37/542686537.db2.gz IJIGFLBKWOPUGF-UHFFFAOYSA-N 2 2 369.513 2.277 50 0 FEAALP Cc1nc(N2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)cc[nH+]1 ZINC000077555789 132189398 /nfs/dbraw/zinc/18/93/98/132189398.db2.gz VTLWJMUBTOEWDR-UHFFFAOYSA-N 2 2 355.490 2.283 50 0 FEAALP Cc1cccc(N2CCN(C(=O)[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)[nH+]1 ZINC000095364009 132208116 /nfs/dbraw/zinc/20/81/16/132208116.db2.gz GJNQUUOUALOARC-LJQANCHMSA-N 2 2 356.445 2.481 50 0 FEAALP Cc1ccc(C(=O)[O-])c(N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)[nH+]1 ZINC000095524287 132214156 /nfs/dbraw/zinc/21/41/56/132214156.db2.gz KZGGQRXJRZQNCH-HNNXBMFYSA-N 2 2 357.458 2.230 50 0 FEAALP Cc1ccc(C(=O)[O-])c(N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)[nH+]1 ZINC000095524288 132214244 /nfs/dbraw/zinc/21/42/44/132214244.db2.gz KZGGQRXJRZQNCH-OAHLLOKOSA-N 2 2 357.458 2.230 50 0 FEAALP C[N@@H+](CCO)C[C@@H]1C[NH+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO ZINC000091872786 542830098 /nfs/dbraw/zinc/83/00/98/542830098.db2.gz KOWKFMGTCLODFY-HZPDHXFCSA-N 2 2 362.445 2.050 50 0 FEAALP C[NH+](CCO)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO ZINC000091872786 542830101 /nfs/dbraw/zinc/83/01/01/542830101.db2.gz KOWKFMGTCLODFY-HZPDHXFCSA-N 2 2 362.445 2.050 50 0 FEAALP C[NH+](CCO)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO ZINC000091872786 542830103 /nfs/dbraw/zinc/83/01/03/542830103.db2.gz KOWKFMGTCLODFY-HZPDHXFCSA-N 2 2 362.445 2.050 50 0 FEAALP C[N@H+](CCO)C[C@@H]1C[NH+](Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO ZINC000091872786 542830094 /nfs/dbraw/zinc/83/00/94/542830094.db2.gz KOWKFMGTCLODFY-HZPDHXFCSA-N 2 2 362.445 2.050 50 0 FEAALP CC(C)(CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2)[NH+]1CCOCC1 ZINC000092065946 542842796 /nfs/dbraw/zinc/84/27/96/542842796.db2.gz DCWGPDANSPORDA-AZUAARDMSA-N 2 2 358.530 2.089 50 0 FEAALP CC(C)(CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2)[NH+]1CCOCC1 ZINC000092065946 542842800 /nfs/dbraw/zinc/84/28/00/542842800.db2.gz DCWGPDANSPORDA-AZUAARDMSA-N 2 2 358.530 2.089 50 0 FEAALP Cc1nc(C)c(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)o1 ZINC000095498164 542974493 /nfs/dbraw/zinc/97/44/93/542974493.db2.gz LVGCRAFQPXIXMJ-MRXNPFEDSA-N 2 2 359.474 2.459 50 0 FEAALP Cc1ccccc1OC[C@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)C1 ZINC000082170639 525315205 /nfs/dbraw/zinc/31/52/05/525315205.db2.gz BFAVNTZBXWMJCQ-SFHVURJKSA-N 2 2 359.514 2.296 50 0 FEAALP Cc1ccccc1OC[C@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)C1 ZINC000082170639 525315212 /nfs/dbraw/zinc/31/52/12/525315212.db2.gz BFAVNTZBXWMJCQ-SFHVURJKSA-N 2 2 359.514 2.296 50 0 FEAALP CCc1c(C)[nH+]c(C)nc1N1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC)CC2 ZINC000107419311 536069410 /nfs/dbraw/zinc/06/94/10/536069410.db2.gz PCIKKHFUMGGWNH-HXUWFJFHSA-N 2 2 359.518 2.179 50 0 FEAALP CCc1c(C)[nH+]c(C)nc1N1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC)CC2 ZINC000107419311 536069417 /nfs/dbraw/zinc/06/94/17/536069417.db2.gz PCIKKHFUMGGWNH-HXUWFJFHSA-N 2 2 359.518 2.179 50 0 FEAALP COc1cc(N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)nc(N)[nH+]1 ZINC000095513051 536825412 /nfs/dbraw/zinc/82/54/12/536825412.db2.gz SEIOKGHISGVURC-UHFFFAOYSA-N 2 2 371.470 2.153 50 0 FEAALP Nc1nc(NCC2([NH+]3CCOCC3)CCCCCC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223958580 548726021 /nfs/dbraw/zinc/72/60/21/548726021.db2.gz RRMPZVMUEPICAC-UHFFFAOYSA-N 3 2 374.533 2.101 50 0 FEAALP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000244774105 548895443 /nfs/dbraw/zinc/89/54/43/548895443.db2.gz POCPVVCHRGMAKO-HKUYNNGSSA-N 2 2 356.470 2.104 50 0 FEAALP Cn1cc[nH+]c1-c1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000426677912 559740118 /nfs/dbraw/zinc/74/01/18/559740118.db2.gz YECJDOUVJRQLRY-IBGZPJMESA-N 2 2 368.481 2.460 50 0 FEAALP CCC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000534579719 562537292 /nfs/dbraw/zinc/53/72/92/562537292.db2.gz IYRQMCYLPRUXIQ-IBGZPJMESA-N 2 2 374.529 2.397 50 0 FEAALP CCC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cccc(OC)c3)CC2)C1 ZINC000534579719 562537293 /nfs/dbraw/zinc/53/72/93/562537293.db2.gz IYRQMCYLPRUXIQ-IBGZPJMESA-N 2 2 374.529 2.397 50 0 FEAALP COC(=O)CC[C@H]1C[N@H+](Cc2cccc(F)c2)CC[C@H]1[NH+]1CCOCC1 ZINC000014881933 539606682 /nfs/dbraw/zinc/60/66/82/539606682.db2.gz XKVZFPNWMLBBDI-PKOBYXMFSA-N 2 2 364.461 2.302 50 0 FEAALP COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(F)c2)CC[C@H]1[NH+]1CCOCC1 ZINC000014881933 539606686 /nfs/dbraw/zinc/60/66/86/539606686.db2.gz XKVZFPNWMLBBDI-PKOBYXMFSA-N 2 2 364.461 2.302 50 0 FEAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N2CCOc3ccccc3C2)c(C)[nH+]1 ZINC000071730490 541769527 /nfs/dbraw/zinc/76/95/27/541769527.db2.gz AVLLTNIURYYTHK-IRXDYDNUSA-N 2 2 368.481 2.347 50 0 FEAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N2CCOc3ccccc3C2)c(C)[nH+]1 ZINC000071730490 541769530 /nfs/dbraw/zinc/76/95/30/541769530.db2.gz AVLLTNIURYYTHK-IRXDYDNUSA-N 2 2 368.481 2.347 50 0 FEAALP c1c(C[N@@H+]2CCCN(c3nc4ccccc4s3)CC2)nn2c1C[NH2+]CC2 ZINC000072128898 541785299 /nfs/dbraw/zinc/78/52/99/541785299.db2.gz UYKNCYPBLNIADB-UHFFFAOYSA-N 2 2 368.510 2.308 50 0 FEAALP c1c(C[N@H+]2CCCN(c3nc4ccccc4s3)CC2)nn2c1C[NH2+]CC2 ZINC000072128898 541785303 /nfs/dbraw/zinc/78/53/03/541785303.db2.gz UYKNCYPBLNIADB-UHFFFAOYSA-N 2 2 368.510 2.308 50 0 FEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccc(F)cc3)[nH+]cn2)c1C ZINC000072119353 541784493 /nfs/dbraw/zinc/78/44/93/541784493.db2.gz SCNNQNMUOCOYPE-UHFFFAOYSA-N 2 2 354.389 2.260 50 0 FEAALP Nc1cc[nH+]c(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072135263 541786346 /nfs/dbraw/zinc/78/63/46/541786346.db2.gz HIMNXTJJOHBJEW-KBAYOESNSA-N 2 2 357.408 2.404 50 0 FEAALP CCOc1ccccc1N1CC[NH+](Cc2cc3n(n2)CCC[NH2+]C3)CC1 ZINC000072143837 541787355 /nfs/dbraw/zinc/78/73/55/541787355.db2.gz MQCDQRPTZBNJGK-UHFFFAOYSA-N 2 2 355.486 2.097 50 0 FEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000072410207 541806407 /nfs/dbraw/zinc/80/64/07/541806407.db2.gz SXUOQUKCMLWRGR-QGZVFWFLSA-N 2 2 355.486 2.496 50 0 FEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000072410207 541806412 /nfs/dbraw/zinc/80/64/12/541806412.db2.gz SXUOQUKCMLWRGR-QGZVFWFLSA-N 2 2 355.486 2.496 50 0 FEAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccnc2N)C1 ZINC000072425654 541811283 /nfs/dbraw/zinc/81/12/83/541811283.db2.gz UGXJTCUPUSMTQR-QGZVFWFLSA-N 2 2 369.517 2.158 50 0 FEAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000072425654 541811286 /nfs/dbraw/zinc/81/12/86/541811286.db2.gz UGXJTCUPUSMTQR-QGZVFWFLSA-N 2 2 369.517 2.158 50 0 FEAALP CC(C)C[N@@H+]1CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)C[C@@H]1CCO ZINC000072427956 541811817 /nfs/dbraw/zinc/81/18/17/541811817.db2.gz CUIGZAKADSDOLR-INIZCTEOSA-N 2 2 356.470 2.242 50 0 FEAALP CC(C)C[N@H+]1CCN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)C[C@@H]1CCO ZINC000072427956 541811821 /nfs/dbraw/zinc/81/18/21/541811821.db2.gz CUIGZAKADSDOLR-INIZCTEOSA-N 2 2 356.470 2.242 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC000072432701 541813141 /nfs/dbraw/zinc/81/31/41/541813141.db2.gz GGRUQYZSVTWVTD-KRWDZBQOSA-N 2 2 361.534 2.141 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000072432701 541813145 /nfs/dbraw/zinc/81/31/45/541813145.db2.gz GGRUQYZSVTWVTD-KRWDZBQOSA-N 2 2 361.534 2.141 50 0 FEAALP Cc1c(C[NH2+]CC2(Cn3cc[nH+]c3)CC2)c2ccccc2n1CC(N)=O ZINC000055401532 205217230 /nfs/dbraw/zinc/21/72/30/205217230.db2.gz JVTQXGFIQBBFJF-UHFFFAOYSA-N 2 2 351.454 2.202 50 0 FEAALP C[NH+](C)[C@@H]1CCN(C(=O)c2cc3n(n2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000065493788 205355891 /nfs/dbraw/zinc/35/58/91/205355891.db2.gz DCOMEBLMVCUXSM-GOSISDBHSA-N 2 2 367.497 2.065 50 0 FEAALP C[NH+](C)[C@@H]1CCN(C(=O)c2cc3n(n2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000065493788 205355896 /nfs/dbraw/zinc/35/58/96/205355896.db2.gz DCOMEBLMVCUXSM-GOSISDBHSA-N 2 2 367.497 2.065 50 0 FEAALP OC1CCN(c2cc[nH+]c(N[C@H]3CC[N@H+](Cc4ccccc4)C3)n2)CC1 ZINC000065394338 205345694 /nfs/dbraw/zinc/34/56/94/205345694.db2.gz RGHXPYJOJPWDTF-KRWDZBQOSA-N 2 2 353.470 2.124 50 0 FEAALP OC1CCN(c2cc[nH+]c(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)n2)CC1 ZINC000065394338 205345699 /nfs/dbraw/zinc/34/56/99/205345699.db2.gz RGHXPYJOJPWDTF-KRWDZBQOSA-N 2 2 353.470 2.124 50 0 FEAALP CCc1[nH+]ccn1C[C@@H](C)[N@@H+]1CCCn2nc(C(=O)N3CCCC3)cc2C1 ZINC000065422799 205349527 /nfs/dbraw/zinc/34/95/27/205349527.db2.gz MGDLVSLNCBWADX-MRXNPFEDSA-N 2 2 370.501 2.172 50 0 FEAALP CCc1[nH+]ccn1C[C@@H](C)[N@H+]1CCCn2nc(C(=O)N3CCCC3)cc2C1 ZINC000065422799 205349531 /nfs/dbraw/zinc/34/95/31/205349531.db2.gz MGDLVSLNCBWADX-MRXNPFEDSA-N 2 2 370.501 2.172 50 0 FEAALP c1cc(C[NH+]2CCN(c3[nH+]cnc4[nH]ccc43)CC2)n(-c2cccnc2)c1 ZINC000067772195 205391309 /nfs/dbraw/zinc/39/13/09/205391309.db2.gz AQQTUDPLMJEEKH-UHFFFAOYSA-N 2 2 359.437 2.466 50 0 FEAALP c1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC000214976913 206343388 /nfs/dbraw/zinc/34/33/88/206343388.db2.gz XQIRYDVVWXXITN-NRFANRHFSA-N 2 2 373.541 2.458 50 0 FEAALP COc1ccc(C[N@@H+]2CCc3n[nH]c(CO)c3C2)cc1C[NH+]1CCCC1 ZINC000216149427 206355739 /nfs/dbraw/zinc/35/57/39/206355739.db2.gz SLQNATPWSFBTKL-UHFFFAOYSA-N 2 2 356.470 2.065 50 0 FEAALP COc1ccc(C[N@H+]2CCc3n[nH]c(CO)c3C2)cc1C[NH+]1CCCC1 ZINC000216149427 206355742 /nfs/dbraw/zinc/35/57/42/206355742.db2.gz SLQNATPWSFBTKL-UHFFFAOYSA-N 2 2 356.470 2.065 50 0 FEAALP Cc1ccc(-c2noc(CCNc3cc(C4CC([NH3+])C4)[nH+]c(N)n3)n2)cc1 ZINC000222708993 206422209 /nfs/dbraw/zinc/42/22/09/206422209.db2.gz KOHPGVHUYMYONX-UHFFFAOYSA-N 2 2 365.441 2.277 50 0 FEAALP c1[nH]cc(C[C@@H]2CN(c3cc[nH+]cc3)Cc3nnc(C4CCOCC4)n32)[nH+]1 ZINC000077391050 132183210 /nfs/dbraw/zinc/18/32/10/132183210.db2.gz YDCFNICUNODYPD-QGZVFWFLSA-N 2 2 365.441 2.094 50 0 FEAALP c1[nH]c(C[C@@H]2CN(c3cc[nH+]cc3)Cc3nnc(C4CCOCC4)n32)c[nH+]1 ZINC000077391050 132183211 /nfs/dbraw/zinc/18/32/11/132183211.db2.gz YDCFNICUNODYPD-QGZVFWFLSA-N 2 2 365.441 2.094 50 0 FEAALP CCN1CC[C@@]2(CN(Cc3c[nH+]cn3CC(C)C)CC[N@@H+]2C)CCC1=O ZINC000091587458 542814528 /nfs/dbraw/zinc/81/45/28/542814528.db2.gz WLTZLZAVFQQELK-HXUWFJFHSA-N 2 2 361.534 2.058 50 0 FEAALP CCN1CC[C@@]2(CN(Cc3c[nH+]cn3CC(C)C)CC[N@H+]2C)CCC1=O ZINC000091587458 542814530 /nfs/dbraw/zinc/81/45/30/542814530.db2.gz WLTZLZAVFQQELK-HXUWFJFHSA-N 2 2 361.534 2.058 50 0 FEAALP CC(C)Nc1cc[nH+]c(N2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)n1 ZINC000072433125 136147185 /nfs/dbraw/zinc/14/71/85/136147185.db2.gz CFZCCFUAEAAEPD-OAHLLOKOSA-N 2 2 361.515 2.432 50 0 FEAALP CC(C)Nc1cc[nH+]c(N2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)n1 ZINC000072433125 136147186 /nfs/dbraw/zinc/14/71/86/136147186.db2.gz CFZCCFUAEAAEPD-OAHLLOKOSA-N 2 2 361.515 2.432 50 0 FEAALP CCn1cc[nH+]c1N1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000011695741 136151496 /nfs/dbraw/zinc/15/14/96/136151496.db2.gz XQIQDKSTHPGLSF-UHFFFAOYSA-N 2 2 353.470 2.004 50 0 FEAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2ccccc2Cn2cccn2)CC1 ZINC000097572180 543013196 /nfs/dbraw/zinc/01/31/96/543013196.db2.gz JFNQVOORQXDYKA-UHFFFAOYSA-N 2 2 351.454 2.155 50 0 FEAALP O=c1occ(C[NH+]2CCSCC2)c(O)c1C[N@@H+]1CCc2ccccc2C1 ZINC000101373424 543027152 /nfs/dbraw/zinc/02/71/52/543027152.db2.gz UHHONGJKXLIQGI-UHFFFAOYSA-N 2 2 372.490 2.453 50 0 FEAALP O=c1occ(C[NH+]2CCSCC2)c(O)c1C[N@H+]1CCc2ccccc2C1 ZINC000101373424 543027157 /nfs/dbraw/zinc/02/71/57/543027157.db2.gz UHHONGJKXLIQGI-UHFFFAOYSA-N 2 2 372.490 2.453 50 0 FEAALP CCN1CC[NH+](CCOc2ccc(C[N@@H+]3CCC[C@](C)(O)C3)cc2)CC1 ZINC000216394377 521683764 /nfs/dbraw/zinc/68/37/64/521683764.db2.gz VXDKDHXKMJSCCR-NRFANRHFSA-N 2 2 361.530 2.050 50 0 FEAALP CCN1CC[NH+](CCOc2ccc(C[N@H+]3CCC[C@](C)(O)C3)cc2)CC1 ZINC000216394377 521683768 /nfs/dbraw/zinc/68/37/68/521683768.db2.gz VXDKDHXKMJSCCR-NRFANRHFSA-N 2 2 361.530 2.050 50 0 FEAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000091426137 523204850 /nfs/dbraw/zinc/20/48/50/523204850.db2.gz JUIXRRPNGZJQMO-UHFFFAOYSA-N 2 2 351.458 2.317 50 0 FEAALP COCC[NH+]1CCC(C(=O)N2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)CC1 ZINC000082137826 523811813 /nfs/dbraw/zinc/81/18/13/523811813.db2.gz QAIZZRTZQHZDCV-IBGZPJMESA-N 2 2 374.529 2.358 50 0 FEAALP O=C1CC[C@]2(CCC[N@H+](Cc3ccccn3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082120372 526998011 /nfs/dbraw/zinc/99/80/11/526998011.db2.gz DIVQVTRKPPGBMJ-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@]2(CCC[N@@H+](Cc3ccccn3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082120372 526998018 /nfs/dbraw/zinc/99/80/18/526998018.db2.gz DIVQVTRKPPGBMJ-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@]2(CCC[N@H+](Cc3ccccn3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082120372 526998021 /nfs/dbraw/zinc/99/80/21/526998021.db2.gz DIVQVTRKPPGBMJ-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@]2(CCC[N@@H+](Cc3ccccn3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082120372 526998027 /nfs/dbraw/zinc/99/80/27/526998027.db2.gz DIVQVTRKPPGBMJ-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP COCCn1c[nH+]cc1CN1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000244602099 548891567 /nfs/dbraw/zinc/89/15/67/548891567.db2.gz DXLZRDBTGXRTOK-UHFFFAOYSA-N 2 2 354.498 2.205 50 0 FEAALP COCCn1c[nH+]cc1CN1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000244602099 548891570 /nfs/dbraw/zinc/89/15/70/548891570.db2.gz DXLZRDBTGXRTOK-UHFFFAOYSA-N 2 2 354.498 2.205 50 0 FEAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@H](C)[NH3+])csc3C2)nc1 ZINC000426521601 559736753 /nfs/dbraw/zinc/73/67/53/559736753.db2.gz ZHXGYGPYRIJXMJ-ZDUSSCGKSA-N 2 2 358.511 2.341 50 0 FEAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@H](C)[NH3+])csc3C2)nc1 ZINC000426521601 559736754 /nfs/dbraw/zinc/73/67/54/559736754.db2.gz ZHXGYGPYRIJXMJ-ZDUSSCGKSA-N 2 2 358.511 2.341 50 0 FEAALP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCOc4ccccc4C3)CC2)CC1 ZINC000584884946 571313568 /nfs/dbraw/zinc/31/35/68/571313568.db2.gz BULVITNFXWDMGL-UHFFFAOYSA-N 2 2 372.513 2.149 50 0 FEAALP Cn1cc[nH+]c1[C@H](NC(=O)N1CCC([NH+]2CCSCC2)CC1)C1CC1 ZINC000584888471 571314258 /nfs/dbraw/zinc/31/42/58/571314258.db2.gz FKFQZXHOFKRANB-MRXNPFEDSA-N 2 2 363.531 2.094 50 0 FEAALP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1NCC[NH+]1CCOCC1 ZINC000000908327 539336116 /nfs/dbraw/zinc/33/61/16/539336116.db2.gz KDTSDCRJCCLZQG-UHFFFAOYSA-N 2 2 359.426 2.164 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)CCC(=O)c3ccccc3)C2)CC1 ZINC000011843374 539537730 /nfs/dbraw/zinc/53/77/30/539537730.db2.gz JZMOUUMKTBWFIR-GOSISDBHSA-N 2 2 357.498 2.324 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)CCC(=O)c3ccccc3)C2)CC1 ZINC000011843374 539537736 /nfs/dbraw/zinc/53/77/36/539537736.db2.gz JZMOUUMKTBWFIR-GOSISDBHSA-N 2 2 357.498 2.324 50 0 FEAALP Cc1[nH+]cc(C[NH+]2CCC(c3n[nH]c(=O)n3Cc3ccccc3)CC2)n1C ZINC000071763328 541771388 /nfs/dbraw/zinc/77/13/88/541771388.db2.gz NJTAGLQENBDBHN-UHFFFAOYSA-N 2 2 366.469 2.041 50 0 FEAALP COc1ccc([C@@H]2CN(c3nc(N)cc[nH+]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072154703 541790503 /nfs/dbraw/zinc/79/05/03/541790503.db2.gz BVSNZLRHDGUWTE-QXAKKESOSA-N 2 2 351.454 2.134 50 0 FEAALP CCN1CC2(CC[NH+](Cc3cccc(C[NH+]4CCOCC4)c3)CC2)OC1=O ZINC000072428149 541811760 /nfs/dbraw/zinc/81/17/60/541811760.db2.gz SODLKSQRSXLOAB-UHFFFAOYSA-N 2 2 373.497 2.326 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000072454477 541817135 /nfs/dbraw/zinc/81/71/35/541817135.db2.gz XSQGRLOGIIACDP-INIZCTEOSA-N 2 2 363.550 2.387 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000072454477 541817136 /nfs/dbraw/zinc/81/71/36/541817136.db2.gz XSQGRLOGIIACDP-INIZCTEOSA-N 2 2 363.550 2.387 50 0 FEAALP CCc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)on1 ZINC000072477347 541820230 /nfs/dbraw/zinc/82/02/30/541820230.db2.gz ZFBQQZJVPSYXFG-OAHLLOKOSA-N 2 2 358.490 2.341 50 0 FEAALP CCc1cc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)on1 ZINC000072477347 541820235 /nfs/dbraw/zinc/82/02/35/541820235.db2.gz ZFBQQZJVPSYXFG-OAHLLOKOSA-N 2 2 358.490 2.341 50 0 FEAALP C[N@H+](C[C@H](O)COc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000003305619 204089661 /nfs/dbraw/zinc/08/96/61/204089661.db2.gz HSCLWTMHLZQAQR-HNNXBMFYSA-N 2 2 357.292 2.215 50 0 FEAALP C[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000003305619 204089665 /nfs/dbraw/zinc/08/96/65/204089665.db2.gz HSCLWTMHLZQAQR-HNNXBMFYSA-N 2 2 357.292 2.215 50 0 FEAALP CC(C)(COC(=O)C[NH+]1CCCCC1)COC(=O)C[NH+]1CCCCC1 ZINC000004094056 204120973 /nfs/dbraw/zinc/12/09/73/204120973.db2.gz LWHVJUAZMLPIAN-UHFFFAOYSA-N 2 2 354.491 2.071 50 0 FEAALP C[NH+](C)[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000043004975 205098853 /nfs/dbraw/zinc/09/88/53/205098853.db2.gz VAEGYPAEGNXCQU-KRWDZBQOSA-N 2 2 353.401 2.326 50 0 FEAALP Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000067434838 205371198 /nfs/dbraw/zinc/37/11/98/205371198.db2.gz SHEHVNJAXMASIE-KRWDZBQOSA-N 2 2 365.437 2.400 50 0 FEAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccs3)CC2)C1 ZINC000067673115 205380039 /nfs/dbraw/zinc/38/00/39/205380039.db2.gz INFKZZONQXLOEU-INIZCTEOSA-N 2 2 365.543 2.187 50 0 FEAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccs3)CC2)C1 ZINC000067673115 205380042 /nfs/dbraw/zinc/38/00/42/205380042.db2.gz INFKZZONQXLOEU-INIZCTEOSA-N 2 2 365.543 2.187 50 0 FEAALP Cc1nc2c(c(NCCCc3[nH+]c4ccccc4n3C)n1)CC[NH2+]CC2 ZINC000072410654 205532387 /nfs/dbraw/zinc/53/23/87/205532387.db2.gz ZSKKCKCEBUJVRW-UHFFFAOYSA-N 2 2 350.470 2.405 50 0 FEAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077407093 205597533 /nfs/dbraw/zinc/59/75/33/205597533.db2.gz XIASKXHZIAIUQO-HXUWFJFHSA-N 2 2 354.454 2.140 50 0 FEAALP c1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC000214976961 206343732 /nfs/dbraw/zinc/34/37/32/206343732.db2.gz XQIRYDVVWXXITN-OAQYLSRUSA-N 2 2 373.541 2.458 50 0 FEAALP c1cn(CCOc2ccccc2CN2CC[NH+](C3CCOCC3)CC2)c[nH+]1 ZINC000215082079 206344094 /nfs/dbraw/zinc/34/40/94/206344094.db2.gz MGYORLCNMLHOLE-UHFFFAOYSA-N 2 2 370.497 2.259 50 0 FEAALP c1nc(C2CC[NH+](Cc3ccc(OCC[NH+]4CCOCC4)cc3)CC2)no1 ZINC000215821233 206351706 /nfs/dbraw/zinc/35/17/06/206351706.db2.gz BTHWKPQNELMHBL-UHFFFAOYSA-N 2 2 372.469 2.160 50 0 FEAALP C[NH+]1CCC([NH+]2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000216082324 206354383 /nfs/dbraw/zinc/35/43/83/206354383.db2.gz WFAWFXJKEKNNPQ-UHFFFAOYSA-N 2 2 369.431 2.486 50 0 FEAALP CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C[NH+]3CCN(C)CC3)c(C)cc2C)C1 ZINC000216062914 206354922 /nfs/dbraw/zinc/35/49/22/206354922.db2.gz WDMVDXOCIZUCLI-QFIPXVFZSA-N 2 2 372.557 2.151 50 0 FEAALP CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C[NH+]3CCN(C)CC3)c(C)cc2C)C1 ZINC000216062914 206354924 /nfs/dbraw/zinc/35/49/24/206354924.db2.gz WDMVDXOCIZUCLI-QFIPXVFZSA-N 2 2 372.557 2.151 50 0 FEAALP O[C@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000077438388 542381708 /nfs/dbraw/zinc/38/17/08/542381708.db2.gz CRWYZUOIQJONLR-KRWDZBQOSA-N 2 2 354.397 2.431 50 0 FEAALP O[C@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000077438388 542381712 /nfs/dbraw/zinc/38/17/12/542381712.db2.gz CRWYZUOIQJONLR-KRWDZBQOSA-N 2 2 354.397 2.431 50 0 FEAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000077488087 542388302 /nfs/dbraw/zinc/38/83/02/542388302.db2.gz ZIGCNPGXUDWCGE-UHFFFAOYSA-N 3 2 362.566 2.412 50 0 FEAALP COc1ccc(-c2[nH+]ccn2CC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000077338732 132181439 /nfs/dbraw/zinc/18/14/39/132181439.db2.gz KHMPCKVNBYMAAL-UHFFFAOYSA-N 2 2 364.453 2.171 50 0 FEAALP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCCN(c3cc[nH+]cc3F)C2)n1C ZINC000095355370 132207320 /nfs/dbraw/zinc/20/73/20/132207320.db2.gz HCQJAQDPGDYFJR-CQSZACIVSA-N 2 2 355.421 2.286 50 0 FEAALP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)nc(N)[nH+]1 ZINC000095373327 132208775 /nfs/dbraw/zinc/20/87/75/132208775.db2.gz KZZUOMOQCNRQCR-CYBMUJFWSA-N 2 2 355.471 2.453 50 0 FEAALP COc1ccc2cc(C[N@@H+]3C[C@H](CO)[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000091548068 542812243 /nfs/dbraw/zinc/81/22/43/542812243.db2.gz LFWFAVIUERKGFA-NHCUHLMSSA-N 2 2 370.493 2.221 50 0 FEAALP COc1ccc2cc(C[N@H+]3C[C@H](CO)[C@H](C[NH+]4CCOCC4)C3)ccc2c1 ZINC000091548068 542812247 /nfs/dbraw/zinc/81/22/47/542812247.db2.gz LFWFAVIUERKGFA-NHCUHLMSSA-N 2 2 370.493 2.221 50 0 FEAALP O=C1CCC2(CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)CN1CCO ZINC000092062363 542842117 /nfs/dbraw/zinc/84/21/17/542842117.db2.gz JHQCESGSXOIWHK-UHFFFAOYSA-N 2 2 368.481 2.069 50 0 FEAALP Cc1cc(N2CC[NH+](Cc3cnc(N4CCCC4)nc3)CC2)cc(C)[nH+]1 ZINC000072411902 136145689 /nfs/dbraw/zinc/14/56/89/136145689.db2.gz VVUXDYNQOGWSEO-UHFFFAOYSA-N 2 2 352.486 2.411 50 0 FEAALP C[NH+](C)C[C@@]1(O)CCCN(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000095503764 542975064 /nfs/dbraw/zinc/97/50/64/542975064.db2.gz LDSANRGWBYADCR-LJQANCHMSA-N 2 2 357.458 2.183 50 0 FEAALP Cc1ccsc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112505845 543449669 /nfs/dbraw/zinc/44/96/69/543449669.db2.gz RDSDYBYCFSYWCL-MRXNPFEDSA-N 2 2 373.526 2.442 50 0 FEAALP Cc1ccc(Cn2ncc3c2nc[nH+]c3NCCC[NH+]2CCOCC2)cc1 ZINC000019808856 524776245 /nfs/dbraw/zinc/77/62/45/524776245.db2.gz ATDXOCPBEKWPLF-UHFFFAOYSA-N 2 2 366.469 2.317 50 0 FEAALP Cc1ccc[nH+]c1N1CCN(C(=O)c2cnc(C[NH+]3CCCC3)s2)CC1 ZINC000082148395 525533841 /nfs/dbraw/zinc/53/38/41/525533841.db2.gz ZYVIEHIUXIKRNC-UHFFFAOYSA-N 2 2 371.510 2.405 50 0 FEAALP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000089834876 527595005 /nfs/dbraw/zinc/59/50/05/527595005.db2.gz JERDWRKMGALIND-VQTJNVASSA-N 2 2 368.477 2.430 50 0 FEAALP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000089834876 527595007 /nfs/dbraw/zinc/59/50/07/527595007.db2.gz JERDWRKMGALIND-VQTJNVASSA-N 2 2 368.477 2.430 50 0 FEAALP C[NH+](C)CCn1cc[nH+]c1[C@H]1CCCN(c2nccnc2N2CCCC2)C1 ZINC000095355704 535935882 /nfs/dbraw/zinc/93/58/82/535935882.db2.gz AYZUDRAJVIDKTI-KRWDZBQOSA-N 2 2 369.517 2.219 50 0 FEAALP COc1cc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)nc(N)[nH+]1 ZINC000095504303 536829137 /nfs/dbraw/zinc/82/91/37/536829137.db2.gz KLSGEWCQBKKJMQ-CQSZACIVSA-N 2 2 365.441 2.091 50 0 FEAALP Cc1nnc([C@@H]2CCC[N@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC000252481994 549667428 /nfs/dbraw/zinc/66/74/28/549667428.db2.gz CWMDCGCUOYUFQP-HXUWFJFHSA-N 2 2 368.529 2.110 50 0 FEAALP Cc1nnc([C@@H]2CCC[N@@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC000252481994 549667432 /nfs/dbraw/zinc/66/74/32/549667432.db2.gz CWMDCGCUOYUFQP-HXUWFJFHSA-N 2 2 368.529 2.110 50 0 FEAALP Cc1n[nH]c([C@@H]2CCC[N@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000252481994 549667436 /nfs/dbraw/zinc/66/74/36/549667436.db2.gz CWMDCGCUOYUFQP-HXUWFJFHSA-N 2 2 368.529 2.110 50 0 FEAALP Cc1n[nH]c([C@@H]2CCC[N@@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000252481994 549667439 /nfs/dbraw/zinc/66/74/39/549667439.db2.gz CWMDCGCUOYUFQP-HXUWFJFHSA-N 2 2 368.529 2.110 50 0 FEAALP Cc1nc([C@@H]2CCC[N@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC000252481994 549667442 /nfs/dbraw/zinc/66/74/42/549667442.db2.gz CWMDCGCUOYUFQP-HXUWFJFHSA-N 2 2 368.529 2.110 50 0 FEAALP Cc1nc([C@@H]2CCC[N@@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC000252481994 549667443 /nfs/dbraw/zinc/66/74/43/549667443.db2.gz CWMDCGCUOYUFQP-HXUWFJFHSA-N 2 2 368.529 2.110 50 0 FEAALP CCn1c(C[N@H+](C)Cc2ccc(-n3cccn3)cc2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252518154 549673227 /nfs/dbraw/zinc/67/32/27/549673227.db2.gz AEHNVUJTCKGXMJ-QAQDUYKDSA-N 2 2 365.485 2.320 50 0 FEAALP CCn1c(C[N@@H+](C)Cc2ccc(-n3cccn3)cc2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252518154 549673230 /nfs/dbraw/zinc/67/32/30/549673230.db2.gz AEHNVUJTCKGXMJ-QAQDUYKDSA-N 2 2 365.485 2.320 50 0 FEAALP O=C(CC[NH+]1CCOCC1)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299759919 553611008 /nfs/dbraw/zinc/61/10/08/553611008.db2.gz PCFAODBCIWJOKS-GOSISDBHSA-N 2 2 365.905 2.315 50 0 FEAALP Cc1ccc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCC(O)CC4)n3C)C2)o1 ZINC000426473510 571227233 /nfs/dbraw/zinc/22/72/33/571227233.db2.gz JPYUWVBXQGRVTO-INIZCTEOSA-N 2 2 373.501 2.053 50 0 FEAALP Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCC(O)CC4)n3C)C2)o1 ZINC000426473510 571227234 /nfs/dbraw/zinc/22/72/34/571227234.db2.gz JPYUWVBXQGRVTO-INIZCTEOSA-N 2 2 373.501 2.053 50 0 FEAALP Cc1[nH]c(C)c(-c2cccc(C(=O)N3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)c2)[nH+]1 ZINC000584894276 571315112 /nfs/dbraw/zinc/31/51/12/571315112.db2.gz HWMZLZOOJQSUIR-OALUTQOASA-N 2 2 368.481 2.365 50 0 FEAALP Cc1[nH]c(-c2cccc(C(=O)N3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)c2)c(C)[nH+]1 ZINC000584894276 571315114 /nfs/dbraw/zinc/31/51/14/571315114.db2.gz HWMZLZOOJQSUIR-OALUTQOASA-N 2 2 368.481 2.365 50 0 FEAALP COc1ccccc1NC1=[NH+][C@H](c2coc3ccccc3c2=O)NC(=[NH2+])N1 ZINC000019329978 539654515 /nfs/dbraw/zinc/65/45/15/539654515.db2.gz QGGRAEYMZKOOQG-QGZVFWFLSA-N 2 2 363.377 2.396 50 0 FEAALP Cc1cccnc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071523784 541767861 /nfs/dbraw/zinc/76/78/61/541767861.db2.gz FBUSKNPXXAPNLJ-QGZVFWFLSA-N 2 2 356.514 2.345 50 0 FEAALP Cc1cccnc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000071523784 541767864 /nfs/dbraw/zinc/76/78/64/541767864.db2.gz FBUSKNPXXAPNLJ-QGZVFWFLSA-N 2 2 356.514 2.345 50 0 FEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)Nc3ccccc3)CC2)[nH+]cn1 ZINC000072139304 541786280 /nfs/dbraw/zinc/78/62/80/541786280.db2.gz XUVVGNMVWNDISF-UHFFFAOYSA-N 2 2 363.425 2.325 50 0 FEAALP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+](Cc3ncc[nH]3)CC2)OC1=O ZINC000072411642 541807639 /nfs/dbraw/zinc/80/76/39/541807639.db2.gz BICGLDBMENWJMH-UHFFFAOYSA-N 2 2 363.506 2.174 50 0 FEAALP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+](Cc3ncc[nH]3)CC2)OC1=O ZINC000072411642 541807641 /nfs/dbraw/zinc/80/76/41/541807641.db2.gz BICGLDBMENWJMH-UHFFFAOYSA-N 2 2 363.506 2.174 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2c(F)cccc2F)[nH+]cn1 ZINC000072434310 541813488 /nfs/dbraw/zinc/81/34/88/541813488.db2.gz OGOYSMJHBCUIPF-UHFFFAOYSA-N 2 2 358.352 2.091 50 0 FEAALP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000058108428 205248838 /nfs/dbraw/zinc/24/88/38/205248838.db2.gz JTQHDTLCGPXOBN-RTBURBONSA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000058108428 205248840 /nfs/dbraw/zinc/24/88/40/205248840.db2.gz JTQHDTLCGPXOBN-RTBURBONSA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058108428 205248845 /nfs/dbraw/zinc/24/88/45/205248845.db2.gz JTQHDTLCGPXOBN-RTBURBONSA-N 2 2 372.513 2.209 50 0 FEAALP CCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058108428 205248848 /nfs/dbraw/zinc/24/88/48/205248848.db2.gz JTQHDTLCGPXOBN-RTBURBONSA-N 2 2 372.513 2.209 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2cccc(F)c2)[nH+]cn1 ZINC000067621498 205378116 /nfs/dbraw/zinc/37/81/16/205378116.db2.gz JAYPKVBSMMTNOW-UHFFFAOYSA-N 2 2 355.377 2.343 50 0 FEAALP Cc1cnccc1C[N@H+](C)Cc1cc2n(n1)CCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000072144446 205481291 /nfs/dbraw/zinc/48/12/91/205481291.db2.gz QOPSNNAQAWXYCK-GOSISDBHSA-N 2 2 368.529 2.034 50 0 FEAALP Cc1cnccc1C[N@@H+](C)Cc1cc2n(n1)CCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000072144446 205481296 /nfs/dbraw/zinc/48/12/96/205481296.db2.gz QOPSNNAQAWXYCK-GOSISDBHSA-N 2 2 368.529 2.034 50 0 FEAALP CN1CC[N@H+](Cc2ccccc2OCCC[NH+]2CCCCC2)C[C@@H]1CO ZINC000216111092 206356287 /nfs/dbraw/zinc/35/62/87/206356287.db2.gz VCEDCNDCCWPROD-HXUWFJFHSA-N 2 2 361.530 2.050 50 0 FEAALP CN1CC[N@@H+](Cc2ccccc2OCCC[NH+]2CCCCC2)C[C@@H]1CO ZINC000216111092 206356292 /nfs/dbraw/zinc/35/62/92/206356292.db2.gz VCEDCNDCCWPROD-HXUWFJFHSA-N 2 2 361.530 2.050 50 0 FEAALP c1coc(C[NH+]2CCC([NH2+][C@@H]3CCOC[C@H]3Oc3ccccn3)CC2)c1 ZINC000219286631 206381758 /nfs/dbraw/zinc/38/17/58/206381758.db2.gz YUROMZNYWIQOCL-RTBURBONSA-N 2 2 357.454 2.465 50 0 FEAALP CCc1cc(N2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)nc(C)[nH+]1 ZINC000077407176 132184026 /nfs/dbraw/zinc/18/40/26/132184026.db2.gz LREYXBRLJSKIMY-MRXNPFEDSA-N 2 2 369.517 2.456 50 0 FEAALP CNc1cc(C)[nH+]c(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095354203 132207267 /nfs/dbraw/zinc/20/72/67/132207267.db2.gz WWNVBGBBPRQUEA-MRXNPFEDSA-N 3 2 357.506 2.359 50 0 FEAALP C[C@@H](c1ccc(-c2ccc(N3CC[NH+](C)CC3)nn2)cc1)[NH+]1CCOCC1 ZINC000097732445 132230805 /nfs/dbraw/zinc/23/08/05/132230805.db2.gz BEQQECOUKQWRJZ-KRWDZBQOSA-N 2 2 367.497 2.289 50 0 FEAALP O=c1occ(C[NH+]2CCN(c3ccccc3)CC2)c(O)c1C[NH+]1CCCC1 ZINC000101411895 132234123 /nfs/dbraw/zinc/23/41/23/132234123.db2.gz QGZDOYXCGFOOLS-UHFFFAOYSA-N 2 2 369.465 2.263 50 0 FEAALP CC[N@H+](C)C[C@@H]1C[NH+](Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@@H]1CO ZINC000091519442 542811790 /nfs/dbraw/zinc/81/17/90/542811790.db2.gz UMKCIPUMECJEFR-RTBURBONSA-N 2 2 370.497 2.144 50 0 FEAALP CC[N@@H+](C)C[C@@H]1C[NH+](Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@@H]1CO ZINC000091519442 542811791 /nfs/dbraw/zinc/81/17/91/542811791.db2.gz UMKCIPUMECJEFR-RTBURBONSA-N 2 2 370.497 2.144 50 0 FEAALP CC[NH+](C)C[C@@H]1C[N@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@@H]1CO ZINC000091519442 542811793 /nfs/dbraw/zinc/81/17/93/542811793.db2.gz UMKCIPUMECJEFR-RTBURBONSA-N 2 2 370.497 2.144 50 0 FEAALP CC[NH+](C)C[C@@H]1C[N@@H+](Cc2cnc(-c3ccc(OC)cc3)nc2)C[C@@H]1CO ZINC000091519442 542811794 /nfs/dbraw/zinc/81/17/94/542811794.db2.gz UMKCIPUMECJEFR-RTBURBONSA-N 2 2 370.497 2.144 50 0 FEAALP C[C@@H](CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1)[NH+]1CCOCC1 ZINC000092099111 542845892 /nfs/dbraw/zinc/84/58/92/542845892.db2.gz IRNKDMCZLPMFPU-INIZCTEOSA-N 2 2 365.905 2.095 50 0 FEAALP Cc1c[nH+]c(N2CC[NH+](Cc3ccc4c(C)cc(=O)oc4c3)CC2)nc1N ZINC000065424875 136136374 /nfs/dbraw/zinc/13/63/74/136136374.db2.gz UQVKXNZIOMRHMM-UHFFFAOYSA-N 2 2 365.437 2.104 50 0 FEAALP OCC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1CCCc1ccccc1 ZINC000072447842 136147991 /nfs/dbraw/zinc/14/79/91/136147991.db2.gz ITJSSSBMMGNHTE-SFHVURJKSA-N 2 2 365.481 2.464 50 0 FEAALP OCC[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1CCCc1ccccc1 ZINC000072447842 136147992 /nfs/dbraw/zinc/14/79/92/136147992.db2.gz ITJSSSBMMGNHTE-SFHVURJKSA-N 2 2 365.481 2.464 50 0 FEAALP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)N[C@H](C)c3ccccc3)CC2)CC1 ZINC000095432355 542970194 /nfs/dbraw/zinc/97/01/94/542970194.db2.gz PIBJZQSNCKLRNL-LJQANCHMSA-N 2 2 372.557 2.354 50 0 FEAALP C[C@@H]1CN(Cc2nnc(-c3cccs3)o2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000095456057 542971259 /nfs/dbraw/zinc/97/12/59/542971259.db2.gz YJKPMKMWIVSZFD-CQSZACIVSA-N 2 2 361.515 2.398 50 0 FEAALP C[C@@H]1CN(Cc2nnc(-c3cccs3)o2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000095456057 542971260 /nfs/dbraw/zinc/97/12/60/542971260.db2.gz YJKPMKMWIVSZFD-CQSZACIVSA-N 2 2 361.515 2.398 50 0 FEAALP C[N@@H+]1CCC[C@H](C[NH+]2CCN(C(=O)Nc3ccnn3C3CCCC3)CC2)C1 ZINC000095522897 542979827 /nfs/dbraw/zinc/97/98/27/542979827.db2.gz YJCWYQQZGXWMEB-KRWDZBQOSA-N 2 2 374.533 2.490 50 0 FEAALP C[N@H+]1CCC[C@H](C[NH+]2CCN(C(=O)Nc3ccnn3C3CCCC3)CC2)C1 ZINC000095522897 542979829 /nfs/dbraw/zinc/97/98/29/542979829.db2.gz YJCWYQQZGXWMEB-KRWDZBQOSA-N 2 2 374.533 2.490 50 0 FEAALP Cc1c[nH]c(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)n1 ZINC000096150353 542993867 /nfs/dbraw/zinc/99/38/67/542993867.db2.gz SVXKBSBLMGQLIB-UHFFFAOYSA-N 2 2 366.473 2.269 50 0 FEAALP Cc1ccccc1OC[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)C1 ZINC000082170636 525310006 /nfs/dbraw/zinc/31/00/06/525310006.db2.gz BFAVNTZBXWMJCQ-GOSISDBHSA-N 2 2 359.514 2.296 50 0 FEAALP Cc1ccccc1OC[C@@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)C1 ZINC000082170636 525310016 /nfs/dbraw/zinc/31/00/16/525310016.db2.gz BFAVNTZBXWMJCQ-GOSISDBHSA-N 2 2 359.514 2.296 50 0 FEAALP Cc1ccc(OC2CCN(C(=O)C[N@@H+](C)C3CC[NH+](C)CC3)CC2)cc1 ZINC000082098170 525372186 /nfs/dbraw/zinc/37/21/86/525372186.db2.gz YLVMXKZMGCIBJK-UHFFFAOYSA-N 2 2 359.514 2.391 50 0 FEAALP Cc1ccc(OC2CCN(C(=O)C[N@H+](C)C3CC[NH+](C)CC3)CC2)cc1 ZINC000082098170 525372194 /nfs/dbraw/zinc/37/21/94/525372194.db2.gz YLVMXKZMGCIBJK-UHFFFAOYSA-N 2 2 359.514 2.391 50 0 FEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3cccc(F)c3)[nH+]cn2)c1C ZINC000082230685 527459850 /nfs/dbraw/zinc/45/98/50/527459850.db2.gz LCRSXAIUKKHYCU-UHFFFAOYSA-N 2 2 354.389 2.260 50 0 FEAALP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000089834875 527594919 /nfs/dbraw/zinc/59/49/19/527594919.db2.gz JERDWRKMGALIND-PMACEKPBSA-N 2 2 368.477 2.430 50 0 FEAALP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000089834875 527594927 /nfs/dbraw/zinc/59/49/27/527594927.db2.gz JERDWRKMGALIND-PMACEKPBSA-N 2 2 368.477 2.430 50 0 FEAALP O=C1C[C@H]([NH2+]Cc2cccc(Cl)c2Cl)CN1CC[NH+]1CCOCC1 ZINC000172697158 546264608 /nfs/dbraw/zinc/26/46/08/546264608.db2.gz QMTSHSXJXZVLRZ-AWEZNQCLSA-N 2 2 372.296 2.016 50 0 FEAALP Cc1[nH]c2cc(CC(=O)N3CC[NH+](C4CCSCC4)CC3)ccc2[nH+]1 ZINC000299766150 553612410 /nfs/dbraw/zinc/61/24/10/553612410.db2.gz BNYQQBXXRUVJHU-UHFFFAOYSA-N 2 2 358.511 2.454 50 0 FEAALP Cc1[nH]c2ccc(CC(=O)N3CC[NH+](C4CCSCC4)CC3)cc2[nH+]1 ZINC000299766150 553612413 /nfs/dbraw/zinc/61/24/13/553612413.db2.gz BNYQQBXXRUVJHU-UHFFFAOYSA-N 2 2 358.511 2.454 50 0 FEAALP COc1ccc(C(=O)C[N@H+]2c3ccccc3N(CC[NH+](C)C)C2=N)cc1 ZINC000367837769 556151043 /nfs/dbraw/zinc/15/10/43/556151043.db2.gz HWBRBTIQYIPUBA-UHFFFAOYSA-N 2 2 352.438 2.375 50 0 FEAALP COc1ccc(C(=O)C[N@@H+]2c3ccccc3N(CC[NH+](C)C)C2=N)cc1 ZINC000367837769 556151044 /nfs/dbraw/zinc/15/10/44/556151044.db2.gz HWBRBTIQYIPUBA-UHFFFAOYSA-N 2 2 352.438 2.375 50 0 FEAALP Cc1c[nH]c(CNC(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)[nH+]1 ZINC000426589049 559738347 /nfs/dbraw/zinc/73/83/47/559738347.db2.gz NYVVOUWDRYORTK-SFHVURJKSA-N 2 2 353.470 2.103 50 0 FEAALP Cn1c[nH+]c([C@@H]2CN(Cc3cccc(OCC(F)(F)F)c3)C[C@H]2[NH3+])c1 ZINC000685940794 571099658 /nfs/dbraw/zinc/09/96/58/571099658.db2.gz IOWVPWKGAYHMKC-HUUCEWRRSA-N 2 2 354.376 2.288 50 0 FEAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CC[NH+](C)CC3)csc2C1 ZINC000426429093 571224419 /nfs/dbraw/zinc/22/44/19/571224419.db2.gz RUHSPESROMEEII-UHFFFAOYSA-N 2 2 374.510 2.299 50 0 FEAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CC[NH+](C)CC3)csc2C1 ZINC000426429093 571224421 /nfs/dbraw/zinc/22/44/21/571224421.db2.gz RUHSPESROMEEII-UHFFFAOYSA-N 2 2 374.510 2.299 50 0 FEAALP Cc1cc(CNC(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)c[nH+]c1C ZINC000584885542 571313770 /nfs/dbraw/zinc/31/37/70/571313770.db2.gz MTJBAYVLZWAQBZ-LJQANCHMSA-N 2 2 360.502 2.485 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)Cc3c(F)ccc(F)c3F)C2)CC1 ZINC000012429985 539559279 /nfs/dbraw/zinc/55/92/79/539559279.db2.gz JRHIYVGDZKCKAN-CYBMUJFWSA-N 2 2 369.431 2.321 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)Cc3c(F)ccc(F)c3F)C2)CC1 ZINC000012429985 539559276 /nfs/dbraw/zinc/55/92/76/539559276.db2.gz JRHIYVGDZKCKAN-CYBMUJFWSA-N 2 2 369.431 2.321 50 0 FEAALP C[NH2+]Cc1cn(C2CC[NH+](Cc3c(F)c(F)ccc3OC)CC2)nn1 ZINC000023232252 539709464 /nfs/dbraw/zinc/70/94/64/539709464.db2.gz MGKFNZMWTOHICW-UHFFFAOYSA-N 2 2 351.401 2.121 50 0 FEAALP Cc1n[nH]c(C)c1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405768 541766630 /nfs/dbraw/zinc/76/66/30/541766630.db2.gz LGFRNINKDYHBTJ-GOSISDBHSA-N 2 2 373.545 2.325 50 0 FEAALP Cc1n[nH]c(C)c1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405768 541766632 /nfs/dbraw/zinc/76/66/32/541766632.db2.gz LGFRNINKDYHBTJ-GOSISDBHSA-N 2 2 373.545 2.325 50 0 FEAALP C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000071479459 541767581 /nfs/dbraw/zinc/76/75/81/541767581.db2.gz RENGSIVATYLJSW-QGZVFWFLSA-N 2 2 350.422 2.311 50 0 FEAALP C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000071479459 541767584 /nfs/dbraw/zinc/76/75/84/541767584.db2.gz RENGSIVATYLJSW-QGZVFWFLSA-N 2 2 350.422 2.311 50 0 FEAALP COc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)c1 ZINC000072420983 541809387 /nfs/dbraw/zinc/80/93/87/541809387.db2.gz NTTSSUYFSGQAJH-CQSZACIVSA-N 2 2 361.465 2.404 50 0 FEAALP COc1ccc(F)c(C[N@H+]2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)c1 ZINC000072420983 541809390 /nfs/dbraw/zinc/80/93/90/541809390.db2.gz NTTSSUYFSGQAJH-CQSZACIVSA-N 2 2 361.465 2.404 50 0 FEAALP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000072423144 541809927 /nfs/dbraw/zinc/80/99/27/541809927.db2.gz XQDLNUSKGXGWSA-OAQYLSRUSA-N 2 2 365.481 2.285 50 0 FEAALP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000072423144 541809931 /nfs/dbraw/zinc/80/99/31/541809931.db2.gz XQDLNUSKGXGWSA-OAQYLSRUSA-N 2 2 365.481 2.285 50 0 FEAALP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072423372 541810218 /nfs/dbraw/zinc/81/02/18/541810218.db2.gz QBFODUIGRMHFFU-GOSISDBHSA-N 3 2 366.550 2.003 50 0 FEAALP CC(C)C[N@@H+](C)CCCN1CC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072423372 541810219 /nfs/dbraw/zinc/81/02/19/541810219.db2.gz QBFODUIGRMHFFU-GOSISDBHSA-N 3 2 366.550 2.003 50 0 FEAALP C[NH+](C)Cc1cccc([C@H]2[NH2+][C@](CO)(c3ccccc3)[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000065429694 205350251 /nfs/dbraw/zinc/35/02/51/205350251.db2.gz TXVFCUPUABZPNE-KAOXLYBCSA-N 3 2 365.521 2.458 50 0 FEAALP C[NH+](C)Cc1cccc([C@H]2[NH2+][C@](CO)(c3ccccc3)[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000065429694 205350256 /nfs/dbraw/zinc/35/02/56/205350256.db2.gz TXVFCUPUABZPNE-KAOXLYBCSA-N 3 2 365.521 2.458 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH]c3ccccc13)CCC[N@@H+]2C ZINC000067541744 205375001 /nfs/dbraw/zinc/37/50/01/205375001.db2.gz WPQWAHCYVHHVLE-UHFFFAOYSA-N 2 2 354.498 2.339 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH]c3ccccc13)CCC[N@H+]2C ZINC000067541744 205375005 /nfs/dbraw/zinc/37/50/05/205375005.db2.gz WPQWAHCYVHHVLE-UHFFFAOYSA-N 2 2 354.498 2.339 50 0 FEAALP O=c1[nH]c2cc3c(cc2cc1C[NH+]1CCC([NH+]2CCCC2)CC1)OCO3 ZINC000067723121 205386297 /nfs/dbraw/zinc/38/62/97/205386297.db2.gz POSXHJYFGPTAHE-UHFFFAOYSA-N 2 2 355.438 2.317 50 0 FEAALP CCn1c[nH+]cc1CN1C(=O)N[C@@](CCC(C)C)(C2CC[NH2+]CC2)C1=O ZINC000067755485 205389781 /nfs/dbraw/zinc/38/97/81/205389781.db2.gz KEPUMHGLKGFNCB-IBGZPJMESA-N 2 2 361.490 2.129 50 0 FEAALP C[C@@H](c1ccncn1)[N@H+](C)Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000215366875 206346405 /nfs/dbraw/zinc/34/64/05/206346405.db2.gz FBMWCDKIFXWAFW-SFHVURJKSA-N 2 2 369.513 2.296 50 0 FEAALP C[C@@H](c1ccncn1)[N@@H+](C)Cc1ccccc1OCCN1CC[NH+](C)CC1 ZINC000215366875 206346406 /nfs/dbraw/zinc/34/64/06/206346406.db2.gz FBMWCDKIFXWAFW-SFHVURJKSA-N 2 2 369.513 2.296 50 0 FEAALP C[C@@H](c1ccncn1)[N@H+](C)Cc1ccccc1OCC[NH+]1CCN(C)CC1 ZINC000215366875 206346409 /nfs/dbraw/zinc/34/64/09/206346409.db2.gz FBMWCDKIFXWAFW-SFHVURJKSA-N 2 2 369.513 2.296 50 0 FEAALP C[C@@H](c1ccncn1)[N@@H+](C)Cc1ccccc1OCC[NH+]1CCN(C)CC1 ZINC000215366875 206346410 /nfs/dbraw/zinc/34/64/10/206346410.db2.gz FBMWCDKIFXWAFW-SFHVURJKSA-N 2 2 369.513 2.296 50 0 FEAALP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000216012028 206353254 /nfs/dbraw/zinc/35/32/54/206353254.db2.gz QZTDFZLZGOSUAU-QFIPXVFZSA-N 3 2 373.541 2.315 50 0 FEAALP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000216012028 206353258 /nfs/dbraw/zinc/35/32/58/206353258.db2.gz QZTDFZLZGOSUAU-QFIPXVFZSA-N 3 2 373.541 2.315 50 0 FEAALP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000216012028 206353262 /nfs/dbraw/zinc/35/32/62/206353262.db2.gz QZTDFZLZGOSUAU-QFIPXVFZSA-N 3 2 373.541 2.315 50 0 FEAALP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000216012028 206353267 /nfs/dbraw/zinc/35/32/67/206353267.db2.gz QZTDFZLZGOSUAU-QFIPXVFZSA-N 3 2 373.541 2.315 50 0 FEAALP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216012028 206353272 /nfs/dbraw/zinc/35/32/72/206353272.db2.gz QZTDFZLZGOSUAU-QFIPXVFZSA-N 2 2 373.541 2.315 50 0 FEAALP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216012028 206353276 /nfs/dbraw/zinc/35/32/76/206353276.db2.gz QZTDFZLZGOSUAU-QFIPXVFZSA-N 2 2 373.541 2.315 50 0 FEAALP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216012028 206353278 /nfs/dbraw/zinc/35/32/78/206353278.db2.gz QZTDFZLZGOSUAU-QFIPXVFZSA-N 2 2 373.541 2.315 50 0 FEAALP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1OCCN1CCOCC1)C2 ZINC000216012028 206353284 /nfs/dbraw/zinc/35/32/84/206353284.db2.gz QZTDFZLZGOSUAU-QFIPXVFZSA-N 2 2 373.541 2.315 50 0 FEAALP Cc1nn(C)cc1C[NH+]1CCC(c2nnc(C[NH+]3CCCCC3)n2C)CC1 ZINC000077375172 542374573 /nfs/dbraw/zinc/37/45/73/542374573.db2.gz BTEACGREOWQQLK-UHFFFAOYSA-N 2 2 371.533 2.223 50 0 FEAALP CSCCC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082127643 542685630 /nfs/dbraw/zinc/68/56/30/542685630.db2.gz BKBDYZCBQNGZMX-SFHVURJKSA-N 2 2 350.532 2.410 50 0 FEAALP CSCCC[N@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)C1 ZINC000082127643 542685635 /nfs/dbraw/zinc/68/56/35/542685635.db2.gz BKBDYZCBQNGZMX-SFHVURJKSA-N 2 2 350.532 2.410 50 0 FEAALP CSCCC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082127643 542685640 /nfs/dbraw/zinc/68/56/40/542685640.db2.gz BKBDYZCBQNGZMX-SFHVURJKSA-N 2 2 350.532 2.410 50 0 FEAALP CSCCC[N@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)C1 ZINC000082127643 542685644 /nfs/dbraw/zinc/68/56/44/542685644.db2.gz BKBDYZCBQNGZMX-SFHVURJKSA-N 2 2 350.532 2.410 50 0 FEAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000091596010 542815212 /nfs/dbraw/zinc/81/52/12/542815212.db2.gz MWRIECFFHHTXEC-IAGOWNOFSA-N 2 2 372.431 2.468 50 0 FEAALP OC[C@@H]1C[C@H](C[NH+]2CCOCC2)C[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000091596010 542815215 /nfs/dbraw/zinc/81/52/15/542815215.db2.gz MWRIECFFHHTXEC-IAGOWNOFSA-N 2 2 372.431 2.468 50 0 FEAALP Cc1cccc(N2CC[NH+](CC[C@H](C)NC(=O)[C@@H](C)n3cc[nH+]c3)CC2)c1 ZINC000052899844 136124607 /nfs/dbraw/zinc/12/46/07/136124607.db2.gz DRRLXINHDYGMJG-RBUKOAKNSA-N 2 2 369.513 2.470 50 0 FEAALP Cc1ccc(CSc2nc(NC[C@@H]3C[N@@H+](C)CCN3C)cc(N)[nH+]2)cc1 ZINC000095367233 542961950 /nfs/dbraw/zinc/96/19/50/542961950.db2.gz VTMRGGLNYUHVBL-MRXNPFEDSA-N 2 2 372.542 2.317 50 0 FEAALP Cc1ccc(CSc2nc(NC[C@@H]3C[N@H+](C)CCN3C)cc(N)[nH+]2)cc1 ZINC000095367233 542961952 /nfs/dbraw/zinc/96/19/52/542961952.db2.gz VTMRGGLNYUHVBL-MRXNPFEDSA-N 2 2 372.542 2.317 50 0 FEAALP CCc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)nc1 ZINC000095372252 542962763 /nfs/dbraw/zinc/96/27/63/542962763.db2.gz DBYDNNNCOUVNPI-QGZVFWFLSA-N 2 2 365.485 2.397 50 0 FEAALP CCc1ccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)nc1 ZINC000095372252 542962766 /nfs/dbraw/zinc/96/27/66/542962766.db2.gz DBYDNNNCOUVNPI-QGZVFWFLSA-N 2 2 365.485 2.397 50 0 FEAALP Cc1nc(N2CCC[C@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)c(C)c(C)[nH+]1 ZINC000072447232 136148130 /nfs/dbraw/zinc/14/81/30/136148130.db2.gz ROUPWKSGABQZJP-HXUWFJFHSA-N 2 2 359.518 2.172 50 0 FEAALP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000095351218 542957608 /nfs/dbraw/zinc/95/76/08/542957608.db2.gz UNXAYSLWNXFQQD-QWHCGFSZSA-N 2 2 359.396 2.214 50 0 FEAALP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000095351218 542957612 /nfs/dbraw/zinc/95/76/12/542957612.db2.gz UNXAYSLWNXFQQD-QWHCGFSZSA-N 2 2 359.396 2.214 50 0 FEAALP C[N@@H+]1CCC[C@@H](C(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)C1 ZINC000095497388 542973967 /nfs/dbraw/zinc/97/39/67/542973967.db2.gz ZYZMYCARZDLPTN-MRXNPFEDSA-N 2 2 373.526 2.436 50 0 FEAALP C[N@H+]1CCC[C@@H](C(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)C1 ZINC000095497388 542973969 /nfs/dbraw/zinc/97/39/69/542973969.db2.gz ZYZMYCARZDLPTN-MRXNPFEDSA-N 2 2 373.526 2.436 50 0 FEAALP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000153304006 544757869 /nfs/dbraw/zinc/75/78/69/544757869.db2.gz HRQVUPLWESYGAA-SJORKVTESA-N 2 2 368.485 2.466 50 0 FEAALP COc1ccccc1C(C)(C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000079064305 524367884 /nfs/dbraw/zinc/36/78/84/524367884.db2.gz GFHGNBVXSNMOJY-UHFFFAOYSA-N 2 2 355.486 2.262 50 0 FEAALP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)C1 ZINC000091365119 527368991 /nfs/dbraw/zinc/36/89/91/527368991.db2.gz BNNPIUOYSZVJQJ-ZWKOTPCHSA-N 2 2 353.470 2.160 50 0 FEAALP CCCc1c[nH+]c(C)nc1N1CC[C@](O)(C[NH+]2CCOCC2)C(C)(C)C1 ZINC000091587488 535436374 /nfs/dbraw/zinc/43/63/74/535436374.db2.gz NENMGNFCTJYOES-FQEVSTJZSA-N 2 2 362.518 2.037 50 0 FEAALP C[N@H+]1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)[C@H](C[NH3+])C1 ZINC000170677292 546169880 /nfs/dbraw/zinc/16/98/80/546169880.db2.gz HJOYPFPHHFQCIF-CQSZACIVSA-N 2 2 350.422 2.210 50 0 FEAALP C[C@@H](O)c1cc2n(n1)CC[N@H+](Cc1ccccc1OCCn1cc[nH+]c1)C2 ZINC000221344348 548705100 /nfs/dbraw/zinc/70/51/00/548705100.db2.gz XKHMOGILKZFFGX-MRXNPFEDSA-N 2 2 367.453 2.228 50 0 FEAALP C[C@@H](O)c1cc2n(n1)CC[N@@H+](Cc1ccccc1OCCn1cc[nH+]c1)C2 ZINC000221344348 548705109 /nfs/dbraw/zinc/70/51/09/548705109.db2.gz XKHMOGILKZFFGX-MRXNPFEDSA-N 2 2 367.453 2.228 50 0 FEAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N[C@@H]1CCOc2ccccc21 ZINC000246064391 549044402 /nfs/dbraw/zinc/04/44/02/549044402.db2.gz ASVUNIVSSXAIDK-FUHWJXTLSA-N 2 2 366.465 2.455 50 0 FEAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N[C@@H]1CCOc2ccccc21 ZINC000246064391 549044406 /nfs/dbraw/zinc/04/44/06/549044406.db2.gz ASVUNIVSSXAIDK-FUHWJXTLSA-N 2 2 366.465 2.455 50 0 FEAALP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N[C@H]1CCOc2ccccc21 ZINC000246064401 549044513 /nfs/dbraw/zinc/04/45/13/549044513.db2.gz ASVUNIVSSXAIDK-WMZOPIPTSA-N 2 2 366.465 2.455 50 0 FEAALP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N[C@H]1CCOc2ccccc21 ZINC000246064401 549044518 /nfs/dbraw/zinc/04/45/18/549044518.db2.gz ASVUNIVSSXAIDK-WMZOPIPTSA-N 2 2 366.465 2.455 50 0 FEAALP CC[N@@H+]1CC[C@H](CNC(=O)N(C)CCc2[nH]c3ccc(OC)cc3[nH+]2)C1 ZINC000426485999 559735615 /nfs/dbraw/zinc/73/56/15/559735615.db2.gz DPYATMRDLQIHOG-CQSZACIVSA-N 2 2 359.474 2.097 50 0 FEAALP CC[N@H+]1CC[C@H](CNC(=O)N(C)CCc2[nH]c3ccc(OC)cc3[nH+]2)C1 ZINC000426485999 559735616 /nfs/dbraw/zinc/73/56/16/559735616.db2.gz DPYATMRDLQIHOG-CQSZACIVSA-N 2 2 359.474 2.097 50 0 FEAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2onc3c2CCCC3)CC1 ZINC000426693921 559740477 /nfs/dbraw/zinc/74/04/77/559740477.db2.gz XRSVMYTZGKIPFK-UHFFFAOYSA-N 2 2 371.485 2.331 50 0 FEAALP C[C@@H]([NH3+])c1nnc(SCC[NH+]2CCOCC2)n1-c1cccc(Cl)c1 ZINC000426723805 559741057 /nfs/dbraw/zinc/74/10/57/559741057.db2.gz AOIYMGCZIIMWMP-GFCCVEGCSA-N 2 2 367.906 2.365 50 0 FEAALP O=C(CC[NH+]1CCOCC1)OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1 ZINC000000848764 539334917 /nfs/dbraw/zinc/33/49/17/539334917.db2.gz FLPWWDUXBVQDEG-WCRBZPEASA-N 2 2 372.509 2.490 50 0 FEAALP O=C(CC[NH+]1CCOCC1)OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1 ZINC000000848764 539334920 /nfs/dbraw/zinc/33/49/20/539334920.db2.gz FLPWWDUXBVQDEG-WCRBZPEASA-N 2 2 372.509 2.490 50 0 FEAALP c1cc(C[NH+]2CCN(c3ccccc3)CC2)n(CC[NH+]2CCOCC2)c1 ZINC000004677170 539390402 /nfs/dbraw/zinc/39/04/02/539390402.db2.gz SLXBZGMDEGKALE-UHFFFAOYSA-N 2 2 354.498 2.143 50 0 FEAALP Cc1cccc([C@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)[NH+](C)C)c1 ZINC000011838276 539536234 /nfs/dbraw/zinc/53/62/34/539536234.db2.gz FTCJFPFVOOBWKZ-LJQANCHMSA-N 2 2 368.481 2.146 50 0 FEAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)NCc2ccccc2OC)c(C)[nH+]1 ZINC000071405580 541766779 /nfs/dbraw/zinc/76/67/79/541766779.db2.gz SRNVMRVULSFAPW-HOTGVXAUSA-N 2 2 356.470 2.251 50 0 FEAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)NCc2ccccc2OC)c(C)[nH+]1 ZINC000071405580 541766781 /nfs/dbraw/zinc/76/67/81/541766781.db2.gz SRNVMRVULSFAPW-HOTGVXAUSA-N 2 2 356.470 2.251 50 0 FEAALP CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000071751873 541770637 /nfs/dbraw/zinc/77/06/37/541770637.db2.gz CZTRTLTYYXIGQE-MRXNPFEDSA-N 2 2 361.534 2.127 50 0 FEAALP CCCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)n[nH]1 ZINC000071751873 541770641 /nfs/dbraw/zinc/77/06/41/541770641.db2.gz CZTRTLTYYXIGQE-MRXNPFEDSA-N 2 2 361.534 2.127 50 0 FEAALP Cc1nn(C)cc1C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071775887 541772234 /nfs/dbraw/zinc/77/22/34/541772234.db2.gz CGEAMTYZESXASW-GOSISDBHSA-N 2 2 373.545 2.027 50 0 FEAALP Cc1nn(C)cc1C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071775887 541772236 /nfs/dbraw/zinc/77/22/36/541772236.db2.gz CGEAMTYZESXASW-GOSISDBHSA-N 2 2 373.545 2.027 50 0 FEAALP Cc1nc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)co1 ZINC000072437911 541814492 /nfs/dbraw/zinc/81/44/92/541814492.db2.gz YKRSIQGKYHOGIX-MRXNPFEDSA-N 2 2 358.490 2.477 50 0 FEAALP Cc1nc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)co1 ZINC000072437911 541814494 /nfs/dbraw/zinc/81/44/94/541814494.db2.gz YKRSIQGKYHOGIX-MRXNPFEDSA-N 2 2 358.490 2.477 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC000072454478 541817185 /nfs/dbraw/zinc/81/71/85/541817185.db2.gz XSQGRLOGIIACDP-MRXNPFEDSA-N 2 2 363.550 2.387 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC000072454478 541817187 /nfs/dbraw/zinc/81/71/87/541817187.db2.gz XSQGRLOGIIACDP-MRXNPFEDSA-N 2 2 363.550 2.387 50 0 FEAALP O=C(CCc1cc2n(n1)CCC[NH2+]C2)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000072473430 541818557 /nfs/dbraw/zinc/81/85/57/541818557.db2.gz SLOJAZJFLHRKHX-UHFFFAOYSA-N 2 2 350.426 2.338 50 0 FEAALP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1CC)CC[NH+](C)CC2 ZINC000072479955 541821295 /nfs/dbraw/zinc/82/12/95/541821295.db2.gz FSNDPNLQCCORIL-QGZVFWFLSA-N 3 2 361.534 2.058 50 0 FEAALP CCC[N@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1CC)CC[NH+](C)CC2 ZINC000072479955 541821299 /nfs/dbraw/zinc/82/12/99/541821299.db2.gz FSNDPNLQCCORIL-QGZVFWFLSA-N 3 2 361.534 2.058 50 0 FEAALP Cn1c(C(=O)NCC[NH+](C)C)cc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000065211056 205324224 /nfs/dbraw/zinc/32/42/24/205324224.db2.gz FNRWBYDBSZYNCW-UHFFFAOYSA-N 2 2 358.461 2.014 50 0 FEAALP Cn1c(C(=O)NCC[NH+](C)C)cc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000065211056 205324228 /nfs/dbraw/zinc/32/42/28/205324228.db2.gz FNRWBYDBSZYNCW-UHFFFAOYSA-N 2 2 358.461 2.014 50 0 FEAALP COc1ccc(C[N@H+](C)Cc2cn(CC[NH+]3CCOCC3)nc2C)cc1 ZINC000065458409 205351611 /nfs/dbraw/zinc/35/16/11/205351611.db2.gz MYRKDCVBKQMROM-UHFFFAOYSA-N 2 2 358.486 2.164 50 0 FEAALP COc1ccc(C[N@@H+](C)Cc2cn(CC[NH+]3CCOCC3)nc2C)cc1 ZINC000065458409 205351615 /nfs/dbraw/zinc/35/16/15/205351615.db2.gz MYRKDCVBKQMROM-UHFFFAOYSA-N 2 2 358.486 2.164 50 0 FEAALP COc1cccc2ccc(C[NH+]3CCC4(CC3)C(=O)NCCC[N@H+]4C)nc21 ZINC000067692664 205383513 /nfs/dbraw/zinc/38/35/13/205383513.db2.gz FEVNJBNSYIWXFK-UHFFFAOYSA-N 2 2 368.481 2.030 50 0 FEAALP COc1cccc2ccc(C[NH+]3CCC4(CC3)C(=O)NCCC[N@@H+]4C)nc21 ZINC000067692664 205383515 /nfs/dbraw/zinc/38/35/15/205383515.db2.gz FEVNJBNSYIWXFK-UHFFFAOYSA-N 2 2 368.481 2.030 50 0 FEAALP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(C[NH+](C)Cc2ccccc2)on1 ZINC000067713378 205385937 /nfs/dbraw/zinc/38/59/37/205385937.db2.gz AYGHNIHLUVRWKG-KRWDZBQOSA-N 2 2 356.470 2.473 50 0 FEAALP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(C[NH+](C)Cc2ccccc2)on1 ZINC000067713378 205385941 /nfs/dbraw/zinc/38/59/41/205385941.db2.gz AYGHNIHLUVRWKG-KRWDZBQOSA-N 2 2 356.470 2.473 50 0 FEAALP CN(C[C@@H]1CCC[NH+]1C)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067713378 205385944 /nfs/dbraw/zinc/38/59/44/205385944.db2.gz AYGHNIHLUVRWKG-KRWDZBQOSA-N 2 2 356.470 2.473 50 0 FEAALP CN(C[C@@H]1CCC[NH+]1C)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067713378 205385949 /nfs/dbraw/zinc/38/59/49/205385949.db2.gz AYGHNIHLUVRWKG-KRWDZBQOSA-N 2 2 356.470 2.473 50 0 FEAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077406808 542379055 /nfs/dbraw/zinc/37/90/55/542379055.db2.gz MWLUYCOJEGREMT-HXUWFJFHSA-N 2 2 358.461 2.434 50 0 FEAALP O[C@@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077406808 542379057 /nfs/dbraw/zinc/37/90/57/542379057.db2.gz MWLUYCOJEGREMT-HXUWFJFHSA-N 2 2 358.461 2.434 50 0 FEAALP CCc1cc(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)nc(C)[nH+]1 ZINC000095390589 132210449 /nfs/dbraw/zinc/21/04/49/132210449.db2.gz WXLSGGQXQNUHQD-NRFANRHFSA-N 2 2 371.529 2.261 50 0 FEAALP CCc1cc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)nc(C)[nH+]1 ZINC000095390589 132210450 /nfs/dbraw/zinc/21/04/50/132210450.db2.gz WXLSGGQXQNUHQD-NRFANRHFSA-N 2 2 371.529 2.261 50 0 FEAALP COc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)nc(N)[nH+]1 ZINC000095520365 132213786 /nfs/dbraw/zinc/21/37/86/132213786.db2.gz OTAYQVRKULVYOB-HNNXBMFYSA-N 2 2 365.441 2.091 50 0 FEAALP COc1ccc(C[N@@H+]2CCN(c3cc[nH+]c(C)n3)C[C@H]2CCO)c(C)c1C ZINC000106994780 132266500 /nfs/dbraw/zinc/26/65/00/132266500.db2.gz HUWDPPUEOFPAKF-LJQANCHMSA-N 2 2 370.497 2.484 50 0 FEAALP COc1ccc(C[N@H+]2CCN(c3cc[nH+]c(C)n3)C[C@H]2CCO)c(C)c1C ZINC000106994780 132266501 /nfs/dbraw/zinc/26/65/01/132266501.db2.gz HUWDPPUEOFPAKF-LJQANCHMSA-N 2 2 370.497 2.484 50 0 FEAALP COc1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1C[NH+]1CCCC1 ZINC000215731925 132270383 /nfs/dbraw/zinc/27/03/83/132270383.db2.gz SALXTGGWTJKOMZ-UHFFFAOYSA-N 2 2 367.497 2.403 50 0 FEAALP CNc1nc(N2CCC(Cn3cc[nH+]c3C)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000299800835 132300724 /nfs/dbraw/zinc/30/07/24/132300724.db2.gz JAMPUMMQUWAKNM-INIZCTEOSA-N 2 2 356.474 2.444 50 0 FEAALP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2CCCO)CC1 ZINC000092065986 542842645 /nfs/dbraw/zinc/84/26/45/542842645.db2.gz JPINXMBQUHQRQY-XLIONFOSSA-N 2 2 367.484 2.175 50 0 FEAALP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2CCCO)CC1 ZINC000092065986 542842651 /nfs/dbraw/zinc/84/26/51/542842651.db2.gz JPINXMBQUHQRQY-XLIONFOSSA-N 2 2 367.484 2.175 50 0 FEAALP Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000093018061 542903060 /nfs/dbraw/zinc/90/30/60/542903060.db2.gz UESMOOOMVFUQAZ-QGZVFWFLSA-N 2 2 355.486 2.026 50 0 FEAALP Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(-c2ccncc2)n1 ZINC000093018061 542903062 /nfs/dbraw/zinc/90/30/62/542903062.db2.gz UESMOOOMVFUQAZ-QGZVFWFLSA-N 2 2 355.486 2.026 50 0 FEAALP Cc1cc(N2CCC(n3cc(C[NH+]4CCSCC4)nn3)CC2)cc[nH+]1 ZINC000023310813 136152623 /nfs/dbraw/zinc/15/26/23/136152623.db2.gz ZYVRSHOKZCEWLS-UHFFFAOYSA-N 2 2 358.515 2.372 50 0 FEAALP Cc1[nH+]ccn1CC1(CNC(=O)[C@H](c2cccnc2)[NH+]2CCCC2)CC1 ZINC000095386104 542966055 /nfs/dbraw/zinc/96/60/55/542966055.db2.gz MPOAJWBPOXNKKD-SFHVURJKSA-N 2 2 353.470 2.320 50 0 FEAALP Cc1cc(N(C)C)nc(SCc2ccc(C(=O)NCC[NH+](C)C)o2)[nH+]1 ZINC000096211170 542996120 /nfs/dbraw/zinc/99/61/20/542996120.db2.gz QHHKBHRWQUMZJR-UHFFFAOYSA-N 2 2 363.487 2.028 50 0 FEAALP O=C(CSCC[NH+]1CCCC1)N1CCCC[C@H]1CCn1cc[nH+]c1 ZINC000222482000 548708966 /nfs/dbraw/zinc/70/89/66/548708966.db2.gz SBJLCFJNSQEQEA-KRWDZBQOSA-N 2 2 350.532 2.483 50 0 FEAALP CCn1c(C[NH+]2CCC(CCn3cccn3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244774018 548895421 /nfs/dbraw/zinc/89/54/21/548895421.db2.gz PMOZBNMBIANAKF-CALCHBBNSA-N 2 2 357.506 2.002 50 0 FEAALP COc1cccc(C[NH+]2CCN(C(=O)NCC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000534673595 562540041 /nfs/dbraw/zinc/54/00/41/562540041.db2.gz HWUMZCOQIQZTLZ-GOSISDBHSA-N 2 2 374.529 2.397 50 0 FEAALP COc1cccc(C[NH+]2CCN(C(=O)NCC[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000534673595 562540042 /nfs/dbraw/zinc/54/00/42/562540042.db2.gz HWUMZCOQIQZTLZ-GOSISDBHSA-N 2 2 374.529 2.397 50 0 FEAALP C[NH+](C)CC(=O)Nc1ccc(-c2ccc(NC(=O)C[NH+](C)C)cc2)cc1 ZINC000003018631 539358796 /nfs/dbraw/zinc/35/87/96/539358796.db2.gz QAFHOPVJMLLFAM-UHFFFAOYSA-N 2 2 354.454 2.354 50 0 FEAALP CN(Cc1cc2cc(F)ccc2[nH]1)c1cc(N2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000067713365 541504203 /nfs/dbraw/zinc/50/42/03/541504203.db2.gz YMHVCBPUTWQNHL-UHFFFAOYSA-N 2 2 369.448 2.067 50 0 FEAALP O=C(C[C@@H]1COCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)N1CCCC1 ZINC000072426451 541810819 /nfs/dbraw/zinc/81/08/19/541810819.db2.gz UDTLHBVXJYGCGO-LJQANCHMSA-N 2 2 354.454 2.086 50 0 FEAALP O=C(C[C@@H]1COCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)N1CCCC1 ZINC000072426451 541810820 /nfs/dbraw/zinc/81/08/20/541810820.db2.gz UDTLHBVXJYGCGO-LJQANCHMSA-N 2 2 354.454 2.086 50 0 FEAALP CCc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)on1 ZINC000072453571 541815710 /nfs/dbraw/zinc/81/57/10/541815710.db2.gz BGFNQHIEKQTKRU-KBXCAEBGSA-N 2 2 357.458 2.016 50 0 FEAALP CCc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)on1 ZINC000072453571 541815712 /nfs/dbraw/zinc/81/57/12/541815712.db2.gz BGFNQHIEKQTKRU-KBXCAEBGSA-N 2 2 357.458 2.016 50 0 FEAALP CCc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)on1 ZINC000072453571 541815715 /nfs/dbraw/zinc/81/57/15/541815715.db2.gz BGFNQHIEKQTKRU-KBXCAEBGSA-N 2 2 357.458 2.016 50 0 FEAALP CCc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)on1 ZINC000072453571 541815717 /nfs/dbraw/zinc/81/57/17/541815717.db2.gz BGFNQHIEKQTKRU-KBXCAEBGSA-N 2 2 357.458 2.016 50 0 FEAALP O=C(NC1CCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000012306489 207357556 /nfs/dbraw/zinc/35/75/56/207357556.db2.gz MXSTWPOXPUUNJJ-SFHVURJKSA-N 2 2 356.514 2.427 50 0 FEAALP O=C(NC1CCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000012306489 207357562 /nfs/dbraw/zinc/35/75/62/207357562.db2.gz MXSTWPOXPUUNJJ-SFHVURJKSA-N 2 2 356.514 2.427 50 0 FEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccccc3C)[nH+]cn2)c1C ZINC000077136042 542347687 /nfs/dbraw/zinc/34/76/87/542347687.db2.gz AHEKURDUPGESBI-UHFFFAOYSA-N 2 2 350.426 2.429 50 0 FEAALP O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077407092 542379373 /nfs/dbraw/zinc/37/93/73/542379373.db2.gz XIASKXHZIAIUQO-FQEVSTJZSA-N 2 2 354.454 2.140 50 0 FEAALP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@H+](Cc3nccs3)C2)n1C ZINC000095370528 209033812 /nfs/dbraw/zinc/03/38/12/209033812.db2.gz IUDIBCLLXKVIDW-AWEZNQCLSA-N 2 2 357.487 2.204 50 0 FEAALP Cc1[nH+]ccn1Cc1nnc([C@H]2CCC[N@@H+](Cc3nccs3)C2)n1C ZINC000095370528 209033816 /nfs/dbraw/zinc/03/38/16/209033816.db2.gz IUDIBCLLXKVIDW-AWEZNQCLSA-N 2 2 357.487 2.204 50 0 FEAALP O=C(CC[NH+]1CCOCC1)N1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095373807 209037596 /nfs/dbraw/zinc/03/75/96/209037596.db2.gz FSZAPDUWPNNOPX-SFHVURJKSA-N 2 2 360.502 2.112 50 0 FEAALP O[C@H](COc1cccc(C[N@@H+]2CCCCC23CC3)c1)C[NH+]1CCOCC1 ZINC000095509282 209067297 /nfs/dbraw/zinc/06/72/97/209067297.db2.gz LVCNNKKOBMDEQT-IBGZPJMESA-N 2 2 360.498 2.277 50 0 FEAALP O[C@H](COc1cccc(C[N@H+]2CCCCC23CC3)c1)C[NH+]1CCOCC1 ZINC000095509282 209067300 /nfs/dbraw/zinc/06/73/00/209067300.db2.gz LVCNNKKOBMDEQT-IBGZPJMESA-N 2 2 360.498 2.277 50 0 FEAALP Cc1nc(N2CCC([NH2+]CCSc3c[nH]nn3)CC2)cc(C(C)C)[nH+]1 ZINC000095530439 132214967 /nfs/dbraw/zinc/21/49/67/132214967.db2.gz MHKUEHURXROHDF-UHFFFAOYSA-N 2 2 361.519 2.377 50 0 FEAALP Cc1nc(N2CCC([NH2+]CCSc3cn[nH]n3)CC2)cc(C(C)C)[nH+]1 ZINC000095530439 132214968 /nfs/dbraw/zinc/21/49/68/132214968.db2.gz MHKUEHURXROHDF-UHFFFAOYSA-N 2 2 361.519 2.377 50 0 FEAALP OC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C[NH+]1CCCCC1 ZINC000091737266 542822725 /nfs/dbraw/zinc/82/27/25/542822725.db2.gz LJYMQQUNLOUIOL-WOJBJXKFSA-N 3 2 354.498 2.399 50 0 FEAALP OC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C[NH+]1CCCCC1 ZINC000091737266 542822726 /nfs/dbraw/zinc/82/27/26/542822726.db2.gz LJYMQQUNLOUIOL-WOJBJXKFSA-N 3 2 354.498 2.399 50 0 FEAALP COc1nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000112921349 543468433 /nfs/dbraw/zinc/46/84/33/543468433.db2.gz JVTOVBYWEYNELI-UHFFFAOYSA-N 2 2 370.497 2.341 50 0 FEAALP COc1nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000112921349 543468434 /nfs/dbraw/zinc/46/84/34/543468434.db2.gz JVTOVBYWEYNELI-UHFFFAOYSA-N 2 2 370.497 2.341 50 0 FEAALP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)ccc1F ZINC000189022749 328124048 /nfs/dbraw/zinc/12/40/48/328124048.db2.gz PRJMFODMQRVMOR-IBGZPJMESA-N 2 2 363.477 2.147 50 0 FEAALP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)ccc1F ZINC000189022749 328124049 /nfs/dbraw/zinc/12/40/49/328124049.db2.gz PRJMFODMQRVMOR-IBGZPJMESA-N 2 2 363.477 2.147 50 0 FEAALP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N[C@H]1CCOc2ccccc21 ZINC000171644883 327151166 /nfs/dbraw/zinc/15/11/66/327151166.db2.gz ASVUNIVSSXAIDK-AEFFLSMTSA-N 2 2 366.465 2.455 50 0 FEAALP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N[C@H]1CCOc2ccccc21 ZINC000171644883 327151167 /nfs/dbraw/zinc/15/11/67/327151167.db2.gz ASVUNIVSSXAIDK-AEFFLSMTSA-N 2 2 366.465 2.455 50 0 FEAALP COCC[N@H+](C)CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082146754 523574771 /nfs/dbraw/zinc/57/47/71/523574771.db2.gz VFYRONHALHBABY-IBGZPJMESA-N 2 2 370.497 2.216 50 0 FEAALP COCC[N@@H+](C)CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082146754 523574775 /nfs/dbraw/zinc/57/47/75/523574775.db2.gz VFYRONHALHBABY-IBGZPJMESA-N 2 2 370.497 2.216 50 0 FEAALP COc1cccc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4)n3C)CC2)c1 ZINC000091643494 525935471 /nfs/dbraw/zinc/93/54/71/525935471.db2.gz OSHCAURTTCOKAE-UHFFFAOYSA-N 2 2 366.469 2.448 50 0 FEAALP CC(C)[NH+]1CCC([N@@H+]2CCN(c3cc(C4CC4)ncn3)C[C@@H]2CCO)CC1 ZINC000072473657 535156022 /nfs/dbraw/zinc/15/60/22/535156022.db2.gz HDDPFPCYTNKMCN-IBGZPJMESA-N 2 2 373.545 2.100 50 0 FEAALP CC(C)[NH+]1CCC([N@H+]2CCN(c3cc(C4CC4)ncn3)C[C@@H]2CCO)CC1 ZINC000072473657 535156029 /nfs/dbraw/zinc/15/60/29/535156029.db2.gz HDDPFPCYTNKMCN-IBGZPJMESA-N 2 2 373.545 2.100 50 0 FEAALP CCNc1cc[nH+]c(N2CC[NH+](Cc3cc4c(cc3C)OCO4)CC2)n1 ZINC000065410465 535527730 /nfs/dbraw/zinc/52/77/30/535527730.db2.gz DPGWPQDDTWZURE-UHFFFAOYSA-N 2 2 355.442 2.268 50 0 FEAALP C[NH+](C)Cc1nnc(C2CCN(c3[nH+]cnc4[nH]ccc43)CC2)n1C1CC1 ZINC000091602400 536063887 /nfs/dbraw/zinc/06/38/87/536063887.db2.gz CLHAMWLQNOEHCW-UHFFFAOYSA-N 2 2 366.473 2.330 50 0 FEAALP COCC[NH+]1CCC([NH+]2CCN(c3cccc(C(F)(F)F)n3)CC2)CC1 ZINC000252509144 536857614 /nfs/dbraw/zinc/85/76/14/536857614.db2.gz YDFDWOMJHAZULV-UHFFFAOYSA-N 2 2 372.435 2.333 50 0 FEAALP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000171239861 546198832 /nfs/dbraw/zinc/19/88/32/546198832.db2.gz GGKHGNDSFSDSLG-SFHVURJKSA-N 2 2 360.502 2.007 50 0 FEAALP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000171239861 546198838 /nfs/dbraw/zinc/19/88/38/546198838.db2.gz GGKHGNDSFSDSLG-SFHVURJKSA-N 2 2 360.502 2.007 50 0 FEAALP C[C@H](C(=O)N1CC[NH+](Cc2ccccc2CO)CC1)[NH+]1CCCCCC1 ZINC000244633492 548891934 /nfs/dbraw/zinc/89/19/34/548891934.db2.gz GDZDCWVTILBIMP-GOSISDBHSA-N 2 2 359.514 2.088 50 0 FEAALP C[N@H+](CC(=O)NCc1cc(-c2ccccc2Cl)on1)C1CC[NH2+]CC1 ZINC000299776838 553613723 /nfs/dbraw/zinc/61/37/23/553613723.db2.gz HKWVMTWKCBZTHJ-UHFFFAOYSA-N 2 2 362.861 2.295 50 0 FEAALP C[N@@H+](CC(=O)NCc1cc(-c2ccccc2Cl)on1)C1CC[NH2+]CC1 ZINC000299776838 553613726 /nfs/dbraw/zinc/61/37/26/553613726.db2.gz HKWVMTWKCBZTHJ-UHFFFAOYSA-N 2 2 362.861 2.295 50 0 FEAALP Nc1cccc(-c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3CO)cc2)[nH+]1 ZINC000426667174 559739874 /nfs/dbraw/zinc/73/98/74/559739874.db2.gz YGPAHBRCVQPOGC-SFHVURJKSA-N 2 2 368.481 2.298 50 0 FEAALP Nc1cccc(-c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3CO)cc2)[nH+]1 ZINC000426667174 559739875 /nfs/dbraw/zinc/73/98/75/559739875.db2.gz YGPAHBRCVQPOGC-SFHVURJKSA-N 2 2 368.481 2.298 50 0 FEAALP Cc1[nH+]ccn1-c1ccccc1CNC(=O)N(C)C[C@@H](C)[NH+]1CCOCC1 ZINC000426712204 559740901 /nfs/dbraw/zinc/74/09/01/559740901.db2.gz STGFNYSDQIJYTN-MRXNPFEDSA-N 2 2 371.485 2.043 50 0 FEAALP CC[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000426411599 570450422 /nfs/dbraw/zinc/45/04/22/570450422.db2.gz ZMAOYONNWKZRJJ-IBGZPJMESA-N 2 2 355.486 2.232 50 0 FEAALP COc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)n2)cc1 ZINC000014963173 539607787 /nfs/dbraw/zinc/60/77/87/539607787.db2.gz KQMIRRGMGNFAIQ-UHFFFAOYSA-N 2 2 372.469 2.289 50 0 FEAALP CC(C)c1csc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](CCO)C2)n1 ZINC000023358999 539711949 /nfs/dbraw/zinc/71/19/49/539711949.db2.gz GLZSORYSHURQFT-KRWDZBQOSA-N 2 2 366.575 2.229 50 0 FEAALP CC(C)c1csc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](CCO)C2)n1 ZINC000023358999 539711953 /nfs/dbraw/zinc/71/19/53/539711953.db2.gz GLZSORYSHURQFT-KRWDZBQOSA-N 2 2 366.575 2.229 50 0 FEAALP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)Cc3cccnc3)CC2)c1 ZINC000055166647 540632335 /nfs/dbraw/zinc/63/23/35/540632335.db2.gz IQTVIKAPRZUYRO-UHFFFAOYSA-N 2 2 352.482 2.166 50 0 FEAALP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)Cc3cccnc3)CC2)c1 ZINC000055166647 540632341 /nfs/dbraw/zinc/63/23/41/540632341.db2.gz IQTVIKAPRZUYRO-UHFFFAOYSA-N 2 2 352.482 2.166 50 0 FEAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCC1 ZINC000071681843 541768367 /nfs/dbraw/zinc/76/83/67/541768367.db2.gz FAZXWNBJFSKQQZ-IBGZPJMESA-N 2 2 356.514 2.380 50 0 FEAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCC1 ZINC000071681843 541768370 /nfs/dbraw/zinc/76/83/70/541768370.db2.gz FAZXWNBJFSKQQZ-IBGZPJMESA-N 2 2 356.514 2.380 50 0 FEAALP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000072310038 541798666 /nfs/dbraw/zinc/79/86/66/541798666.db2.gz ZWAXQRIBHKMJIP-PMACEKPBSA-N 2 2 357.498 2.009 50 0 FEAALP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000072310038 541798671 /nfs/dbraw/zinc/79/86/71/541798671.db2.gz ZWAXQRIBHKMJIP-PMACEKPBSA-N 2 2 357.498 2.009 50 0 FEAALP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000072310039 541799054 /nfs/dbraw/zinc/79/90/54/541799054.db2.gz ZWAXQRIBHKMJIP-WOJBJXKFSA-N 2 2 357.498 2.009 50 0 FEAALP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000072310039 541799056 /nfs/dbraw/zinc/79/90/56/541799056.db2.gz ZWAXQRIBHKMJIP-WOJBJXKFSA-N 2 2 357.498 2.009 50 0 FEAALP CC[C@H](Cn1cc[nH+]c1)Nc1nc(-c2cccnc2)nc2c1CC[NH2+]CC2 ZINC000072479022 541821740 /nfs/dbraw/zinc/82/17/40/541821740.db2.gz LSAILNHVGIMILX-MRXNPFEDSA-N 2 2 363.469 2.314 50 0 FEAALP O[C@H]1[C@H]([NH2+]Cc2noc(-c3ccco3)n2)c2ccccc2C12CC[NH2+]CC2 ZINC000072475910 541819591 /nfs/dbraw/zinc/81/95/91/541819591.db2.gz IJYQGLZUPKHESU-MSOLQXFVSA-N 2 2 366.421 2.156 50 0 FEAALP O=C(C[NH+]1CCCCC1)OCCCCCOC(=O)C[NH+]1CCCCC1 ZINC000004184295 207005702 /nfs/dbraw/zinc/00/57/02/207005702.db2.gz FFINIJMGIFWBPH-UHFFFAOYSA-N 2 2 354.491 2.215 50 0 FEAALP Cn1c(C[NH+]2CCCCC2)nnc1C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000077377222 542374850 /nfs/dbraw/zinc/37/48/50/542374850.db2.gz WPLXCDSYOKOKGL-UHFFFAOYSA-N 3 2 360.550 2.075 50 0 FEAALP Cn1c(CN2CCCCC2)nnc1C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000077377222 542374854 /nfs/dbraw/zinc/37/48/54/542374854.db2.gz WPLXCDSYOKOKGL-UHFFFAOYSA-N 2 2 360.550 2.075 50 0 FEAALP COCC[N@H+](C)C[C@@H]1CN(c2cc(C)[nH+]c(-c3ccccc3)n2)C[C@@H]1CO ZINC000091829318 208999444 /nfs/dbraw/zinc/99/94/44/208999444.db2.gz HXOVHGIQWHQEFW-RTBURBONSA-N 2 2 370.497 2.075 50 0 FEAALP COCC[N@@H+](C)C[C@@H]1CN(c2cc(C)[nH+]c(-c3ccccc3)n2)C[C@@H]1CO ZINC000091829318 208999447 /nfs/dbraw/zinc/99/94/47/208999447.db2.gz HXOVHGIQWHQEFW-RTBURBONSA-N 2 2 370.497 2.075 50 0 FEAALP C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000095373643 209035069 /nfs/dbraw/zinc/03/50/69/209035069.db2.gz IIHBSNRBOFVAJT-OAQYLSRUSA-N 2 2 364.493 2.219 50 0 FEAALP C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000095373643 209035073 /nfs/dbraw/zinc/03/50/73/209035073.db2.gz IIHBSNRBOFVAJT-OAQYLSRUSA-N 2 2 364.493 2.219 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000095378087 209038977 /nfs/dbraw/zinc/03/89/77/209038977.db2.gz ZCSVHMZGABLNRJ-LJQANCHMSA-N 3 2 369.513 2.241 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000095381019 209040897 /nfs/dbraw/zinc/04/08/97/209040897.db2.gz UWOPFTJFTKZPSG-SFHVURJKSA-N 2 2 350.470 2.482 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000095381019 209040901 /nfs/dbraw/zinc/04/09/01/209040901.db2.gz UWOPFTJFTKZPSG-SFHVURJKSA-N 2 2 350.470 2.482 50 0 FEAALP Cn1cnnc1C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095516356 209070457 /nfs/dbraw/zinc/07/04/57/209070457.db2.gz PWDLGCVUDWLTLF-IBGZPJMESA-N 2 2 361.534 2.451 50 0 FEAALP Cn1cnnc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095516356 209070464 /nfs/dbraw/zinc/07/04/64/209070464.db2.gz PWDLGCVUDWLTLF-IBGZPJMESA-N 2 2 361.534 2.451 50 0 FEAALP [NH3+][C@@H]1CC[N@H+](Cc2cc(-c3ccccc3OC(F)(F)F)no2)C[C@H]1O ZINC000082099234 542682949 /nfs/dbraw/zinc/68/29/49/542682949.db2.gz OWOGSMACPIMTOT-TZMCWYRMSA-N 2 2 357.332 2.134 50 0 FEAALP [NH3+][C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3OC(F)(F)F)no2)C[C@H]1O ZINC000082099234 542682953 /nfs/dbraw/zinc/68/29/53/542682953.db2.gz OWOGSMACPIMTOT-TZMCWYRMSA-N 2 2 357.332 2.134 50 0 FEAALP C[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000077285302 132178633 /nfs/dbraw/zinc/17/86/33/132178633.db2.gz VPSBPTIEIXXOPG-KRWDZBQOSA-N 2 2 353.470 2.181 50 0 FEAALP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000095363706 132207994 /nfs/dbraw/zinc/20/79/94/132207994.db2.gz SYPGJEJCTJCTOB-IBGZPJMESA-N 3 2 372.561 2.428 50 0 FEAALP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2cc(C)[nH+]c(N3CCCC3)n2)CC1 ZINC000095363706 132207995 /nfs/dbraw/zinc/20/79/95/132207995.db2.gz SYPGJEJCTJCTOB-IBGZPJMESA-N 3 2 372.561 2.428 50 0 FEAALP Cc1ccsc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000112505846 543449799 /nfs/dbraw/zinc/44/97/99/543449799.db2.gz RDSDYBYCFSYWCL-INIZCTEOSA-N 2 2 373.526 2.442 50 0 FEAALP C[N@@H+]1CCC[C@H](C[NH+]2CCN(C(=O)Nc3cccc(F)c3F)CC2)C1 ZINC000095522959 209074082 /nfs/dbraw/zinc/07/40/82/209074082.db2.gz SKWOHIVAOJAGBT-AWEZNQCLSA-N 2 2 352.429 2.456 50 0 FEAALP C[N@H+]1CCC[C@H](C[NH+]2CCN(C(=O)Nc3cccc(F)c3F)CC2)C1 ZINC000095522959 209074085 /nfs/dbraw/zinc/07/40/85/209074085.db2.gz SKWOHIVAOJAGBT-AWEZNQCLSA-N 2 2 352.429 2.456 50 0 FEAALP Cc1noc(C)c1C(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095530507 209078870 /nfs/dbraw/zinc/07/88/70/209078870.db2.gz WFRVPDBPVYOGEG-INIZCTEOSA-N 2 2 359.474 2.459 50 0 FEAALP CCCc1cc(N2CC[NH2+][C@H](C(=O)Nc3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC000072131982 535399243 /nfs/dbraw/zinc/39/92/43/535399243.db2.gz TZOPVHROWVICQS-KRWDZBQOSA-N 2 2 357.433 2.294 50 0 FEAALP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177205526 546569996 /nfs/dbraw/zinc/56/99/96/546569996.db2.gz VVBCJHREMGDCAX-PMACEKPBSA-N 2 2 368.481 2.084 50 0 FEAALP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177205526 546570001 /nfs/dbraw/zinc/57/00/01/546570001.db2.gz VVBCJHREMGDCAX-PMACEKPBSA-N 2 2 368.481 2.084 50 0 FEAALP Cc1cccc2nc(C[NH+]3CCC([NH+]4CCSCC4)CC3)cc(=O)n12 ZINC000252509842 549670843 /nfs/dbraw/zinc/67/08/43/549670843.db2.gz YWQVNEFPODCBFM-UHFFFAOYSA-N 2 2 358.511 2.016 50 0 FEAALP Cc1[nH]c2ccc(CC(=O)N3CCCO[C@H](C[NH+]4CCCC4)C3)cc2[nH+]1 ZINC000299793903 553615983 /nfs/dbraw/zinc/61/59/83/553615983.db2.gz INTHLKKILQJKFS-QGZVFWFLSA-N 2 2 356.470 2.127 50 0 FEAALP Cc1[nH]c2cc(CC(=O)N3CCCO[C@H](C[NH+]4CCCC4)C3)ccc2[nH+]1 ZINC000299793903 553615985 /nfs/dbraw/zinc/61/59/85/553615985.db2.gz INTHLKKILQJKFS-QGZVFWFLSA-N 2 2 356.470 2.127 50 0 FEAALP C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000299799971 553616417 /nfs/dbraw/zinc/61/64/17/553616417.db2.gz XCPOXZNXCYNMTG-NRFANRHFSA-N 2 2 364.493 2.173 50 0 FEAALP C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCC[NH+](Cc2ccncc2)CC1 ZINC000299799971 553616420 /nfs/dbraw/zinc/61/64/20/553616420.db2.gz XCPOXZNXCYNMTG-NRFANRHFSA-N 2 2 364.493 2.173 50 0 FEAALP C[NH+]1Cc2ccccc2C[C@H]1C(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000299799971 553616423 /nfs/dbraw/zinc/61/64/23/553616423.db2.gz XCPOXZNXCYNMTG-NRFANRHFSA-N 2 2 364.493 2.173 50 0 FEAALP C[NH+]1Cc2ccccc2C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000299799971 553616424 /nfs/dbraw/zinc/61/64/24/553616424.db2.gz XCPOXZNXCYNMTG-NRFANRHFSA-N 2 2 364.493 2.173 50 0 FEAALP Cc1ccc(F)c(CNC(=O)N2CC[N@H+](C)C3(CC[NH+](C)CC3)C2)c1F ZINC000426581005 559738235 /nfs/dbraw/zinc/73/82/35/559738235.db2.gz RBTGWDHRJVZSMX-UHFFFAOYSA-N 2 2 366.456 2.195 50 0 FEAALP Cc1ccc(F)c(CNC(=O)N2CC[N@@H+](C)C3(CC[NH+](C)CC3)C2)c1F ZINC000426581005 559738236 /nfs/dbraw/zinc/73/82/36/559738236.db2.gz RBTGWDHRJVZSMX-UHFFFAOYSA-N 2 2 366.456 2.195 50 0 FEAALP COc1cccc(CCC(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000015073330 539611578 /nfs/dbraw/zinc/61/15/78/539611578.db2.gz GHGKVNGPXSSTIM-GOSISDBHSA-N 2 2 359.514 2.303 50 0 FEAALP COc1cccc(CCC(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000015073330 539611582 /nfs/dbraw/zinc/61/15/82/539611582.db2.gz GHGKVNGPXSSTIM-GOSISDBHSA-N 2 2 359.514 2.303 50 0 FEAALP COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000020256903 539673174 /nfs/dbraw/zinc/67/31/74/539673174.db2.gz XTJNADRCIKHDHR-HXUWFJFHSA-N 2 2 372.557 2.376 50 0 FEAALP COc1ccccc1N1CCN([C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000020256903 539673177 /nfs/dbraw/zinc/67/31/77/539673177.db2.gz XTJNADRCIKHDHR-HXUWFJFHSA-N 2 2 372.557 2.376 50 0 FEAALP COc1ccc2[nH]c(C(=O)N3CCC[N@H+](C)C4(CC[NH+](C)CC4)C3)cc2c1 ZINC000067695120 541500520 /nfs/dbraw/zinc/50/05/20/541500520.db2.gz SOHJDBMIGLYXRB-UHFFFAOYSA-N 2 2 370.497 2.419 50 0 FEAALP COc1ccc2[nH]c(C(=O)N3CCC[N@@H+](C)C4(CC[NH+](C)CC4)C3)cc2c1 ZINC000067695120 541500523 /nfs/dbraw/zinc/50/05/23/541500523.db2.gz SOHJDBMIGLYXRB-UHFFFAOYSA-N 2 2 370.497 2.419 50 0 FEAALP Cc1[nH+]ccn1CCNC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067713621 541504087 /nfs/dbraw/zinc/50/40/87/541504087.db2.gz VBSIPMJYWQFPFF-UHFFFAOYSA-N 2 2 353.426 2.242 50 0 FEAALP Cc1[nH+]ccn1CCNC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067713621 541504092 /nfs/dbraw/zinc/50/40/92/541504092.db2.gz VBSIPMJYWQFPFF-UHFFFAOYSA-N 2 2 353.426 2.242 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CCC[N@@H+]2C ZINC000067754308 541508622 /nfs/dbraw/zinc/50/86/22/541508622.db2.gz VJBGRQSDNIOTON-UHFFFAOYSA-N 2 2 367.497 2.319 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CCC[N@H+]2C ZINC000067754308 541508623 /nfs/dbraw/zinc/50/86/23/541508623.db2.gz VJBGRQSDNIOTON-UHFFFAOYSA-N 2 2 367.497 2.319 50 0 FEAALP CC(C)c1ccc(CN2CCC[C@](O)(C[NH2+]CC[NH+]3CCCC3)C2=O)cc1 ZINC000067856350 541521051 /nfs/dbraw/zinc/52/10/51/541521051.db2.gz FSHXGNMHODCWQU-QFIPXVFZSA-N 2 2 373.541 2.349 50 0 FEAALP Cc1[nH+]c[nH]c1CSCCn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072428065 541811524 /nfs/dbraw/zinc/81/15/24/541811524.db2.gz QZFDTXKEDPVJPO-UHFFFAOYSA-N 2 2 357.487 2.205 50 0 FEAALP C[NH+](C)Cc1cn(C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000048135066 208386927 /nfs/dbraw/zinc/38/69/27/208386927.db2.gz JXOJWXGOBXENGH-QGZVFWFLSA-N 2 2 371.485 2.023 50 0 FEAALP C[NH+](C)Cc1cn(C[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000048135066 208386932 /nfs/dbraw/zinc/38/69/32/208386932.db2.gz JXOJWXGOBXENGH-QGZVFWFLSA-N 2 2 371.485 2.023 50 0 FEAALP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)Cn2cc[nH+]c2)C3)cc1 ZINC000091997200 209008685 /nfs/dbraw/zinc/00/86/85/209008685.db2.gz CHWJZEUUIJAPAT-ZWKOTPCHSA-N 2 2 354.454 2.015 50 0 FEAALP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)Cn2cc[nH+]c2)C3)cc1 ZINC000091997200 209008689 /nfs/dbraw/zinc/00/86/89/209008689.db2.gz CHWJZEUUIJAPAT-ZWKOTPCHSA-N 2 2 354.454 2.015 50 0 FEAALP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000095364129 209029918 /nfs/dbraw/zinc/02/99/18/209029918.db2.gz PZHJTTJGJISFHD-HXUWFJFHSA-N 2 2 359.514 2.088 50 0 FEAALP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000095364129 209029922 /nfs/dbraw/zinc/02/99/22/209029922.db2.gz PZHJTTJGJISFHD-HXUWFJFHSA-N 2 2 359.514 2.088 50 0 FEAALP CCCc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)o1 ZINC000095390786 209046106 /nfs/dbraw/zinc/04/61/06/209046106.db2.gz QEZLXQPNZFGYNQ-XMTFNYHQSA-N 2 2 350.503 2.382 50 0 FEAALP CCCc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)o1 ZINC000095390786 209046108 /nfs/dbraw/zinc/04/61/08/209046108.db2.gz QEZLXQPNZFGYNQ-XMTFNYHQSA-N 2 2 350.503 2.382 50 0 FEAALP CCCc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)o1 ZINC000095390786 209046111 /nfs/dbraw/zinc/04/61/11/209046111.db2.gz QEZLXQPNZFGYNQ-XMTFNYHQSA-N 2 2 350.503 2.382 50 0 FEAALP CCCc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)o1 ZINC000095390786 209046113 /nfs/dbraw/zinc/04/61/13/209046113.db2.gz QEZLXQPNZFGYNQ-XMTFNYHQSA-N 2 2 350.503 2.382 50 0 FEAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CCN(c2cc[nH+]cc2F)CC1 ZINC000092028109 132205761 /nfs/dbraw/zinc/20/57/61/132205761.db2.gz XIDWTQYITGZGTO-UHFFFAOYSA-N 2 2 355.421 2.461 50 0 FEAALP CCc1nc2c(ncnc2N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)o1 ZINC000095509236 132213000 /nfs/dbraw/zinc/21/30/00/132213000.db2.gz NZWXUVISSRAVIH-AWEZNQCLSA-N 2 2 369.473 2.322 50 0 FEAALP OCC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1CCCc1ccccc1 ZINC000106984284 132240670 /nfs/dbraw/zinc/24/06/70/132240670.db2.gz ITJSSSBMMGNHTE-GOSISDBHSA-N 2 2 365.481 2.464 50 0 FEAALP OCC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1CCCc1ccccc1 ZINC000106984284 132240673 /nfs/dbraw/zinc/24/06/73/132240673.db2.gz ITJSSSBMMGNHTE-GOSISDBHSA-N 2 2 365.481 2.464 50 0 FEAALP Cn1c(C[NH+]2CCCCCC2)nnc1C1CC[NH+](Cc2c[nH]cn2)CC1 ZINC000091780798 542824973 /nfs/dbraw/zinc/82/49/73/542824973.db2.gz MMWKNYCWYMDTOK-UHFFFAOYSA-N 2 2 357.506 2.294 50 0 FEAALP Cn1c(C[NH+]2CCCCCC2)nnc1C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000091780798 542824974 /nfs/dbraw/zinc/82/49/74/542824974.db2.gz MMWKNYCWYMDTOK-UHFFFAOYSA-N 2 2 357.506 2.294 50 0 FEAALP Cc1cccc(N2CC[NH+](CC[C@H](C)NC(=O)[C@H](C)n3cc[nH+]c3)CC2)c1 ZINC000052899846 136124566 /nfs/dbraw/zinc/12/45/66/136124566.db2.gz DRRLXINHDYGMJG-OALUTQOASA-N 2 2 369.513 2.470 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC[C@@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000072438317 136147422 /nfs/dbraw/zinc/14/74/22/136147422.db2.gz YIEGTWNBHHZAPC-QGZVFWFLSA-N 2 2 369.517 2.456 50 0 FEAALP CC(C)C[N@@H+]1CCCn2nc(CNC(=O)C[C@@H](C)n3cc[nH+]c3)cc2C1 ZINC000082096738 519722940 /nfs/dbraw/zinc/72/29/40/519722940.db2.gz LJFOWSGSGXINLP-MRXNPFEDSA-N 2 2 358.490 2.209 50 0 FEAALP CC(C)C[N@H+]1CCCn2nc(CNC(=O)C[C@@H](C)n3cc[nH+]c3)cc2C1 ZINC000082096738 519722941 /nfs/dbraw/zinc/72/29/41/519722941.db2.gz LJFOWSGSGXINLP-MRXNPFEDSA-N 2 2 358.490 2.209 50 0 FEAALP CCNc1cc[nH+]c(N2CC[N@H+](Cc3ccccc3F)[C@H](CCO)C2)n1 ZINC000072427171 535527702 /nfs/dbraw/zinc/52/77/02/535527702.db2.gz SBIOJNHDWWMAAY-MRXNPFEDSA-N 2 2 359.449 2.121 50 0 FEAALP CCNc1cc[nH+]c(N2CC[N@@H+](Cc3ccccc3F)[C@H](CCO)C2)n1 ZINC000072427171 535527709 /nfs/dbraw/zinc/52/77/09/535527709.db2.gz SBIOJNHDWWMAAY-MRXNPFEDSA-N 2 2 359.449 2.121 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCN(c3cccc(C(F)(F)F)n3)C[C@H]2CCO)CC1 ZINC000106992413 536340334 /nfs/dbraw/zinc/34/03/34/536340334.db2.gz JMRZGEHGJUHOPH-OAHLLOKOSA-N 2 2 372.435 2.068 50 0 FEAALP C[NH+]1CCC([N@H+]2CCN(c3cccc(C(F)(F)F)n3)C[C@H]2CCO)CC1 ZINC000106992413 536340335 /nfs/dbraw/zinc/34/03/35/536340335.db2.gz JMRZGEHGJUHOPH-OAHLLOKOSA-N 2 2 372.435 2.068 50 0 FEAALP Cc1cccn2c(CNC(=O)[C@@H](c3ccc4c(c3)OCO4)[NH+](C)C)c[nH+]c12 ZINC000219899474 548697380 /nfs/dbraw/zinc/69/73/80/548697380.db2.gz YXBZOHDFRSHNON-GOSISDBHSA-N 2 2 366.421 2.291 50 0 FEAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)C1 ZINC000252512077 549672231 /nfs/dbraw/zinc/67/22/31/549672231.db2.gz MEFCXFLNGHCPLT-PSWRPDDJSA-N 2 2 373.541 2.149 50 0 FEAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)C1 ZINC000252512077 549672234 /nfs/dbraw/zinc/67/22/34/549672234.db2.gz MEFCXFLNGHCPLT-PSWRPDDJSA-N 2 2 373.541 2.149 50 0 FEAALP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000426541191 559737348 /nfs/dbraw/zinc/73/73/48/559737348.db2.gz CIZAWKJEWCBZHR-UHFFFAOYSA-N 2 2 361.877 2.372 50 0 FEAALP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC[C@]1(C)CC[N@H+](C)C1 ZINC000426551813 559737534 /nfs/dbraw/zinc/73/75/34/559737534.db2.gz NQFILUFSAPZXLG-FQEVSTJZSA-N 2 2 355.486 2.415 50 0 FEAALP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC[C@]1(C)CC[N@@H+](C)C1 ZINC000426551813 559737535 /nfs/dbraw/zinc/73/75/35/559737535.db2.gz NQFILUFSAPZXLG-FQEVSTJZSA-N 2 2 355.486 2.415 50 0 FEAALP Cc1cc(-c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2)[nH+]c(C)c1C ZINC000534577408 562537195 /nfs/dbraw/zinc/53/71/95/562537195.db2.gz SNLHFOJUFZFADK-PMACEKPBSA-N 2 2 353.466 2.421 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(F)cc2)C3)CC1 ZINC000021039350 571144258 /nfs/dbraw/zinc/14/42/58/571144258.db2.gz SVDNTOMNKXUPRE-UHFFFAOYSA-N 2 2 355.461 2.316 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(F)cc2)C3)CC1 ZINC000021039350 571144259 /nfs/dbraw/zinc/14/42/59/571144259.db2.gz SVDNTOMNKXUPRE-UHFFFAOYSA-N 2 2 355.461 2.316 50 0 FEAALP Cc1cc(CNC(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)c[nH+]c1C ZINC000584885541 571313741 /nfs/dbraw/zinc/31/37/41/571313741.db2.gz MTJBAYVLZWAQBZ-IBGZPJMESA-N 2 2 360.502 2.485 50 0 FEAALP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@H+](C2CC[NH2+]CC2)CCO3)n1 ZINC000067723176 541505089 /nfs/dbraw/zinc/50/50/89/541505089.db2.gz GHTQLFNVHBWCSO-UHFFFAOYSA-N 2 2 354.454 2.412 50 0 FEAALP Cc1cnc(C)c(-c2cc(O)c3c(c2)C[N@@H+](C2CC[NH2+]CC2)CCO3)n1 ZINC000067723176 541505093 /nfs/dbraw/zinc/50/50/93/541505093.db2.gz GHTQLFNVHBWCSO-UHFFFAOYSA-N 2 2 354.454 2.412 50 0 FEAALP Cc1[nH]c(C[NH+]2CCC3(CCN(C(=O)C4CCCC4)C[C@H]3CO)CC2)c[nH+]1 ZINC000097766380 209197148 /nfs/dbraw/zinc/19/71/48/209197148.db2.gz YAFIRUBVIRZYIC-SFHVURJKSA-N 2 2 374.529 2.331 50 0 FEAALP COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)c(F)c1 ZINC000072408506 541806733 /nfs/dbraw/zinc/80/67/33/541806733.db2.gz CGLJEOAXDOSCHN-HNNXBMFYSA-N 2 2 361.465 2.404 50 0 FEAALP COc1ccc(C[N@H+]2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)c(F)c1 ZINC000072408506 541806736 /nfs/dbraw/zinc/80/67/36/541806736.db2.gz CGLJEOAXDOSCHN-HNNXBMFYSA-N 2 2 361.465 2.404 50 0 FEAALP COc1ccc([C@H]([NH3+])CC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000072426753 541810834 /nfs/dbraw/zinc/81/08/34/541810834.db2.gz FOIFLICIKDJNPU-OAHLLOKOSA-N 2 2 358.442 2.223 50 0 FEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)Cc3ccc(F)cc3)[nH+]cn2)c1C ZINC000072437695 541814281 /nfs/dbraw/zinc/81/42/81/541814281.db2.gz YGWRQZXMPMYCKN-UHFFFAOYSA-N 2 2 368.416 2.189 50 0 FEAALP Cc1[nH+]c2cc(Cn3ccnc3-c3cc4n(n3)CCC[NH2+]C4)ccc2n1C ZINC000072469413 541818397 /nfs/dbraw/zinc/81/83/97/541818397.db2.gz ZTAFVHOOGKAEAT-UHFFFAOYSA-N 2 2 361.453 2.483 50 0 FEAALP Fc1ccc(-n2ncc3c2nc[nH+]c3NCCC[NH+]2CCOCC2)cc1F ZINC000013625868 220079726 /nfs/dbraw/zinc/07/97/26/220079726.db2.gz HKDMGYFFDWDGRP-UHFFFAOYSA-N 2 2 374.395 2.228 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)CCC(=O)c3ccccc3)C2)CC1 ZINC000011843373 207325927 /nfs/dbraw/zinc/32/59/27/207325927.db2.gz JZMOUUMKTBWFIR-SFHVURJKSA-N 2 2 357.498 2.324 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)CCC(=O)c3ccccc3)C2)CC1 ZINC000011843373 207325931 /nfs/dbraw/zinc/32/59/31/207325931.db2.gz JZMOUUMKTBWFIR-SFHVURJKSA-N 2 2 357.498 2.324 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)Cc3cc(F)ccc3F)C2)CC1 ZINC000011873562 207328279 /nfs/dbraw/zinc/32/82/79/207328279.db2.gz OIRRPVXWZCQQAB-MRXNPFEDSA-N 2 2 351.441 2.182 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)Cc3cc(F)ccc3F)C2)CC1 ZINC000011873562 207328282 /nfs/dbraw/zinc/32/82/82/207328282.db2.gz OIRRPVXWZCQQAB-MRXNPFEDSA-N 2 2 351.441 2.182 50 0 FEAALP C[NH+](C)Cc1cn(C[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000048135068 208387617 /nfs/dbraw/zinc/38/76/17/208387617.db2.gz JXOJWXGOBXENGH-KRWDZBQOSA-N 2 2 371.485 2.023 50 0 FEAALP C[NH+](C)Cc1cn(C[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000048135068 208387624 /nfs/dbraw/zinc/38/76/24/208387624.db2.gz JXOJWXGOBXENGH-KRWDZBQOSA-N 2 2 371.485 2.023 50 0 FEAALP C[NH+](C)[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)nc2)C[C@H]1CCCO ZINC000091965130 209007634 /nfs/dbraw/zinc/00/76/34/209007634.db2.gz CIDNIPXDCIXYQT-MJGOQNOKSA-N 2 2 355.486 2.063 50 0 FEAALP C[NH+](C)[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C[C@H]1CCCO ZINC000091965130 209007637 /nfs/dbraw/zinc/00/76/37/209007637.db2.gz CIDNIPXDCIXYQT-MJGOQNOKSA-N 2 2 355.486 2.063 50 0 FEAALP CCn1ccc2c1cccc2C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000092028311 209013890 /nfs/dbraw/zinc/01/38/90/209013890.db2.gz MEMIGPVTCDMRBX-RTBURBONSA-N 2 2 357.498 2.034 50 0 FEAALP CCn1ccc2c1cccc2C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCOCC2)C1 ZINC000092028311 209013893 /nfs/dbraw/zinc/01/38/93/209013893.db2.gz MEMIGPVTCDMRBX-RTBURBONSA-N 2 2 357.498 2.034 50 0 FEAALP COc1ccc(/C=C/C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091998155 209010495 /nfs/dbraw/zinc/01/04/95/209010495.db2.gz UJJYYDHJKPUZRD-VQPCMXCISA-N 2 2 374.525 2.358 50 0 FEAALP COc1ccc(/C=C/C[N@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091998155 209010498 /nfs/dbraw/zinc/01/04/98/209010498.db2.gz UJJYYDHJKPUZRD-VQPCMXCISA-N 2 2 374.525 2.358 50 0 FEAALP COc1ccc(/C=C/C[NH+]2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091998155 209010501 /nfs/dbraw/zinc/01/05/01/209010501.db2.gz UJJYYDHJKPUZRD-VQPCMXCISA-N 2 2 374.525 2.358 50 0 FEAALP COc1ccc(/C=C/C[NH+]2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091998155 209010503 /nfs/dbraw/zinc/01/05/03/209010503.db2.gz UJJYYDHJKPUZRD-VQPCMXCISA-N 2 2 374.525 2.358 50 0 FEAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000095357647 209026503 /nfs/dbraw/zinc/02/65/03/209026503.db2.gz BIPGSTMKPVLEPI-QGZVFWFLSA-N 2 2 356.470 2.058 50 0 FEAALP C[N@H+](CC(=O)N1C[C@H]2CC[C@H](C[NH+]2CC2CCC2)C1)Cc1ccncc1 ZINC000095362446 209030186 /nfs/dbraw/zinc/03/01/86/209030186.db2.gz GYSMRAJVKDMMOS-WOJBJXKFSA-N 2 2 356.514 2.236 50 0 FEAALP C[N@@H+](CC(=O)N1C[C@H]2CC[C@H](C[NH+]2CC2CCC2)C1)Cc1ccncc1 ZINC000095362446 209030189 /nfs/dbraw/zinc/03/01/89/209030189.db2.gz GYSMRAJVKDMMOS-WOJBJXKFSA-N 2 2 356.514 2.236 50 0 FEAALP C[NH+](CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1)Cc1ccncc1 ZINC000095362446 209030192 /nfs/dbraw/zinc/03/01/92/209030192.db2.gz GYSMRAJVKDMMOS-WOJBJXKFSA-N 2 2 356.514 2.236 50 0 FEAALP C[NH+](CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1)Cc1ccncc1 ZINC000095362446 209030196 /nfs/dbraw/zinc/03/01/96/209030196.db2.gz GYSMRAJVKDMMOS-WOJBJXKFSA-N 2 2 356.514 2.236 50 0 FEAALP CCc1ncc(C(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cn1 ZINC000095368520 209033798 /nfs/dbraw/zinc/03/37/98/209033798.db2.gz FMAGXNNRAAXCBZ-MRXNPFEDSA-N 2 2 370.501 2.207 50 0 FEAALP C[NH+](C)[C@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)c1ccccc1F ZINC000095385081 209041928 /nfs/dbraw/zinc/04/19/28/209041928.db2.gz WZFJBMFJAUMJBI-SFHVURJKSA-N 2 2 365.518 2.468 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccc(O)cc2)C1 ZINC000095518052 209071008 /nfs/dbraw/zinc/07/10/08/209071008.db2.gz MFRMFHKAHCPEQZ-GOSISDBHSA-N 2 2 370.497 2.489 50 0 FEAALP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000095427838 132210947 /nfs/dbraw/zinc/21/09/47/132210947.db2.gz SDYWERSFNQLEIP-KRWDZBQOSA-N 2 2 371.485 2.069 50 0 FEAALP C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000095427838 132210948 /nfs/dbraw/zinc/21/09/48/132210948.db2.gz SDYWERSFNQLEIP-KRWDZBQOSA-N 2 2 371.485 2.069 50 0 FEAALP Nc1nc(N2CCC(Oc3cccc(F)c3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000223248170 132278991 /nfs/dbraw/zinc/27/89/91/132278991.db2.gz NZGDDALGCOEVLA-UHFFFAOYSA-N 2 2 357.433 2.450 50 0 FEAALP Nc1nc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)cc(C2CC(O)C2)[nH+]1 ZINC000223682450 132279651 /nfs/dbraw/zinc/27/96/51/132279651.db2.gz VCYWXJDKYPUPRH-UHFFFAOYSA-N 2 2 373.888 2.273 50 0 FEAALP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000079071536 521751785 /nfs/dbraw/zinc/75/17/85/521751785.db2.gz FBRCZPKRAVEQPC-HXUWFJFHSA-N 2 2 371.481 2.071 50 0 FEAALP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000079071536 521751794 /nfs/dbraw/zinc/75/17/94/521751794.db2.gz FBRCZPKRAVEQPC-HXUWFJFHSA-N 2 2 371.481 2.071 50 0 FEAALP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000079071531 521752478 /nfs/dbraw/zinc/75/24/78/521752478.db2.gz FBRCZPKRAVEQPC-FQEVSTJZSA-N 2 2 371.481 2.071 50 0 FEAALP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000079071531 521752481 /nfs/dbraw/zinc/75/24/81/521752481.db2.gz FBRCZPKRAVEQPC-FQEVSTJZSA-N 2 2 371.481 2.071 50 0 FEAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000082083140 523184905 /nfs/dbraw/zinc/18/49/05/523184905.db2.gz PLHFTCLOZZKIFX-UHFFFAOYSA-N 2 2 359.522 2.090 50 0 FEAALP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC000091270560 526505446 /nfs/dbraw/zinc/50/54/46/526505446.db2.gz KZHBZPVSNAVUPR-ZWKOTPCHSA-N 2 2 371.485 2.391 50 0 FEAALP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCCn1cc[nH+]c1)C2 ZINC000091270560 526505451 /nfs/dbraw/zinc/50/54/51/526505451.db2.gz KZHBZPVSNAVUPR-ZWKOTPCHSA-N 2 2 371.485 2.391 50 0 FEAALP O=C1NCCC[C@@]12CC[N@H+](Cc1ccc(OCCn3cc[nH+]c3)cc1)C2 ZINC000091616455 527064827 /nfs/dbraw/zinc/06/48/27/527064827.db2.gz SZOANXVMCLYSTF-FQEVSTJZSA-N 2 2 354.454 2.064 50 0 FEAALP O=C1NCCC[C@@]12CC[N@@H+](Cc1ccc(OCCn3cc[nH+]c3)cc1)C2 ZINC000091616455 527064831 /nfs/dbraw/zinc/06/48/31/527064831.db2.gz SZOANXVMCLYSTF-FQEVSTJZSA-N 2 2 354.454 2.064 50 0 FEAALP O[C@@H]1C[N@H+](Cc2ccoc2)CC[C@H]1N1CC[NH+](CCc2ccccc2)CC1 ZINC000020598944 527678564 /nfs/dbraw/zinc/67/85/64/527678564.db2.gz WSJHCUNUSHJTIG-FGZHOGPDSA-N 2 2 369.509 2.075 50 0 FEAALP O[C@@H]1C[N@@H+](Cc2ccoc2)CC[C@H]1N1CC[NH+](CCc2ccccc2)CC1 ZINC000020598944 527678566 /nfs/dbraw/zinc/67/85/66/527678566.db2.gz WSJHCUNUSHJTIG-FGZHOGPDSA-N 2 2 369.509 2.075 50 0 FEAALP Cc1c[nH]nc1C1CC[NH+](Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C2CC2)CC1 ZINC000223478996 548720618 /nfs/dbraw/zinc/72/06/18/548720618.db2.gz VKEVMTZEODARBT-SHTZXODSSA-N 2 2 355.490 2.229 50 0 FEAALP O=C1CC[N@H+](Cc2ccc(F)cc2F)CCN1CC[NH+]1CCCCC1 ZINC000299784762 553614664 /nfs/dbraw/zinc/61/46/64/553614664.db2.gz MTZCPJBCLUNGHG-UHFFFAOYSA-N 2 2 351.441 2.485 50 0 FEAALP O=C1CC[N@@H+](Cc2ccc(F)cc2F)CCN1CC[NH+]1CCCCC1 ZINC000299784762 553614665 /nfs/dbraw/zinc/61/46/65/553614665.db2.gz MTZCPJBCLUNGHG-UHFFFAOYSA-N 2 2 351.441 2.485 50 0 FEAALP O=C(NCCC[NH+]1CCOCC1)c1cccc(-c2[nH+]cnc3[nH]ccc32)c1 ZINC000534666288 562539772 /nfs/dbraw/zinc/53/97/72/562539772.db2.gz PQNIMKADWUGKFD-UHFFFAOYSA-N 2 2 365.437 2.029 50 0 FEAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCC(=O)NC(C)(C)C ZINC000028426897 539832095 /nfs/dbraw/zinc/83/20/95/539832095.db2.gz BSEFGCDSFOZLTP-UHFFFAOYSA-N 2 2 374.485 2.365 50 0 FEAALP Cc1ccccc1-n1cc(CN(C)c2cc(C3CC([NH3+])C3)[nH+]c(N)n2)cn1 ZINC000223390766 209757060 /nfs/dbraw/zinc/75/70/60/209757060.db2.gz YAFSLXSMCFVMKU-UHFFFAOYSA-N 2 2 363.469 2.394 50 0 FEAALP Cc1cc(N2CC[NH+](Cc3cc(F)ccc3-n3cccn3)CC2)nc(N)[nH+]1 ZINC000065494091 541241216 /nfs/dbraw/zinc/24/12/16/541241216.db2.gz YJVRLLVFMMMRSS-UHFFFAOYSA-N 2 2 367.432 2.014 50 0 FEAALP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)o3)CC2)C1 ZINC000067724350 541505078 /nfs/dbraw/zinc/50/50/78/541505078.db2.gz QUHXARORXUDEGF-QGZVFWFLSA-N 2 2 363.502 2.027 50 0 FEAALP COCCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)o3)CC2)C1 ZINC000067724350 541505081 /nfs/dbraw/zinc/50/50/81/541505081.db2.gz QUHXARORXUDEGF-QGZVFWFLSA-N 2 2 363.502 2.027 50 0 FEAALP CC(C)c1[nH+]ccn1Cc1cc(C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)[nH]n1 ZINC000067725638 541505115 /nfs/dbraw/zinc/50/51/15/541505115.db2.gz RTRRHYGOPKTBLC-HNNXBMFYSA-N 2 2 370.501 2.477 50 0 FEAALP CC(C)c1[nH+]ccn1Cc1cc(C(=O)N2CC([N@H+]3CCCC[C@@H]3C)C2)[nH]n1 ZINC000067725638 541505120 /nfs/dbraw/zinc/50/51/20/541505120.db2.gz RTRRHYGOPKTBLC-HNNXBMFYSA-N 2 2 370.501 2.477 50 0 FEAALP CN(CC[NH+]1CCCC1)C(=O)c1cc(C[N@@H+]2CCc3ccccc3C2)on1 ZINC000067758465 541509110 /nfs/dbraw/zinc/50/91/10/541509110.db2.gz QQOOLVQDUVOLIL-UHFFFAOYSA-N 2 2 368.481 2.401 50 0 FEAALP CN(CC[NH+]1CCCC1)C(=O)c1cc(C[N@H+]2CCc3ccccc3C2)on1 ZINC000067758465 541509114 /nfs/dbraw/zinc/50/91/14/541509114.db2.gz QQOOLVQDUVOLIL-UHFFFAOYSA-N 2 2 368.481 2.401 50 0 FEAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)Nc2cccc3c[nH]nc32)c(C)[nH+]1 ZINC000071498105 541767658 /nfs/dbraw/zinc/76/76/58/541767658.db2.gz XJXCZDUJIDJTOU-KBPBESRZSA-N 2 2 352.442 2.441 50 0 FEAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)Nc2cccc3c[nH]nc32)c(C)[nH+]1 ZINC000071498105 541767661 /nfs/dbraw/zinc/76/76/61/541767661.db2.gz XJXCZDUJIDJTOU-KBPBESRZSA-N 2 2 352.442 2.441 50 0 FEAALP C[N@@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH+]2CCCCC2)CC1 ZINC000071759696 541771497 /nfs/dbraw/zinc/77/14/97/541771497.db2.gz IPAUQAUNCPTJNS-UHFFFAOYSA-N 2 2 361.515 2.159 50 0 FEAALP C[N@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH+]2CCCCC2)CC1 ZINC000071759696 541771499 /nfs/dbraw/zinc/77/14/99/541771499.db2.gz IPAUQAUNCPTJNS-UHFFFAOYSA-N 2 2 361.515 2.159 50 0 FEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3cccc(C)c3)[nH+]cn2)c1C ZINC000072117469 541783930 /nfs/dbraw/zinc/78/39/30/541783930.db2.gz CWKJGPIPANMMMM-UHFFFAOYSA-N 2 2 350.426 2.429 50 0 FEAALP CCc1ccc(C(=O)NCCNc2cc(-n3cc[nH+]c3C)nc[nH+]2)cc1 ZINC000072139992 541785972 /nfs/dbraw/zinc/78/59/72/541785972.db2.gz MFQJKFBQHDUWHJ-UHFFFAOYSA-N 2 2 350.426 2.375 50 0 FEAALP O[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000072467900 541817533 /nfs/dbraw/zinc/81/75/33/541817533.db2.gz MQSSVWNHUVMRAI-HNNXBMFYSA-N 2 2 354.397 2.429 50 0 FEAALP O[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000072467900 541817537 /nfs/dbraw/zinc/81/75/37/541817537.db2.gz MQSSVWNHUVMRAI-HNNXBMFYSA-N 2 2 354.397 2.429 50 0 FEAALP Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000072468140 541817753 /nfs/dbraw/zinc/81/77/53/541817753.db2.gz UXSHQIOFTKESNF-QGZVFWFLSA-N 2 2 354.502 2.494 50 0 FEAALP Cc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000072468140 541817754 /nfs/dbraw/zinc/81/77/54/541817754.db2.gz UXSHQIOFTKESNF-QGZVFWFLSA-N 2 2 354.502 2.494 50 0 FEAALP Cc1cccc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000072468137 541817876 /nfs/dbraw/zinc/81/78/76/541817876.db2.gz UXSHQIOFTKESNF-KRWDZBQOSA-N 2 2 354.502 2.494 50 0 FEAALP Cc1cccc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000072468137 541817878 /nfs/dbraw/zinc/81/78/78/541817878.db2.gz UXSHQIOFTKESNF-KRWDZBQOSA-N 2 2 354.502 2.494 50 0 FEAALP CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N(C)C[C@@H]2CCC[N@@H+]2C)nc1 ZINC000012446356 207379688 /nfs/dbraw/zinc/37/96/88/207379688.db2.gz JAJBWFZGQQKUPM-KRWDZBQOSA-N 2 2 370.501 2.008 50 0 FEAALP CCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N(C)C[C@@H]2CCC[N@H+]2C)nc1 ZINC000012446356 207379694 /nfs/dbraw/zinc/37/96/94/207379694.db2.gz JAJBWFZGQQKUPM-KRWDZBQOSA-N 2 2 370.501 2.008 50 0 FEAALP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)CC1 ZINC000034685143 208104469 /nfs/dbraw/zinc/10/44/69/208104469.db2.gz MPNDOBQFHQYVSW-SFHVURJKSA-N 2 2 371.525 2.162 50 0 FEAALP Cn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000092020824 209010370 /nfs/dbraw/zinc/01/03/70/209010370.db2.gz AISZUJUXSTULKL-UHFFFAOYSA-N 2 2 352.442 2.145 50 0 FEAALP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000095377772 209037950 /nfs/dbraw/zinc/03/79/50/209037950.db2.gz OLBGDJVWYILWSX-IBGZPJMESA-N 2 2 359.514 2.474 50 0 FEAALP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000095377772 209037954 /nfs/dbraw/zinc/03/79/54/209037954.db2.gz OLBGDJVWYILWSX-IBGZPJMESA-N 2 2 359.514 2.474 50 0 FEAALP CCn1ncc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)c1C ZINC000095379538 209040062 /nfs/dbraw/zinc/04/00/62/209040062.db2.gz DTIBVXLOBVNLCY-UHFFFAOYSA-N 2 2 372.517 2.379 50 0 FEAALP NC(=O)Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000095500565 209061887 /nfs/dbraw/zinc/06/18/87/209061887.db2.gz HOMABUCWKUBOAR-AWEZNQCLSA-N 2 2 364.396 2.349 50 0 FEAALP NC(=O)Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000095500565 209061889 /nfs/dbraw/zinc/06/18/89/209061889.db2.gz HOMABUCWKUBOAR-AWEZNQCLSA-N 2 2 364.396 2.349 50 0 FEAALP Cc1cc(N2CCC([NH2+]CCCc3[nH]cc[nH+]3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095515177 132213625 /nfs/dbraw/zinc/21/36/25/132213625.db2.gz FYOXGYYQLLCYJS-UHFFFAOYSA-N 3 2 369.517 2.300 50 0 FEAALP CCCc1cc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC)CC3)nc(C)[nH+]1 ZINC000230181280 132289008 /nfs/dbraw/zinc/28/90/08/132289008.db2.gz PXXQBGDZTDSSTP-HXUWFJFHSA-N 2 2 359.518 2.261 50 0 FEAALP CCCc1cc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC)CC3)nc(C)[nH+]1 ZINC000230181280 132289011 /nfs/dbraw/zinc/28/90/11/132289011.db2.gz PXXQBGDZTDSSTP-HXUWFJFHSA-N 2 2 359.518 2.261 50 0 FEAALP Cc1cc(C[NH+]2CCC(c3nnc(Cn4cc[nH+]c4C)n3C)CC2)on1 ZINC000091769402 542824751 /nfs/dbraw/zinc/82/47/51/542824751.db2.gz MKOPMGUBUHLWML-UHFFFAOYSA-N 2 2 355.446 2.044 50 0 FEAALP CCn1cc[nH+]c1[C@H]1CCCN(C(=O)CSCC[NH+]2CCCC2)C1 ZINC000091625257 523560777 /nfs/dbraw/zinc/56/07/77/523560777.db2.gz VRQOFXDNUQHZCL-INIZCTEOSA-N 2 2 350.532 2.438 50 0 FEAALP Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cc[nH+]c1C)C2 ZINC000091476781 526506610 /nfs/dbraw/zinc/50/66/10/526506610.db2.gz BJMIOIGZWKKIFM-ZWKOTPCHSA-N 2 2 371.485 2.309 50 0 FEAALP Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cc[nH+]c1C)C2 ZINC000091476781 526506615 /nfs/dbraw/zinc/50/66/15/526506615.db2.gz BJMIOIGZWKKIFM-ZWKOTPCHSA-N 2 2 371.485 2.309 50 0 FEAALP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091505553 527389167 /nfs/dbraw/zinc/38/91/67/527389167.db2.gz JDZWEWBMZSWSOU-SFHVURJKSA-N 2 2 364.453 2.238 50 0 FEAALP OCC[NH+]1CCN(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000020102987 527553094 /nfs/dbraw/zinc/55/30/94/527553094.db2.gz PBOUMBXEJIIGFC-UHFFFAOYSA-N 2 2 371.447 2.280 50 0 FEAALP Cc1cccc2[nH+]c(CNC(=O)N3CC[NH+](C4CCSCC4)CC3)cn21 ZINC000426653030 559739534 /nfs/dbraw/zinc/73/95/34/559739534.db2.gz WYEQLARDSYYXDH-UHFFFAOYSA-N 2 2 373.526 2.366 50 0 FEAALP Cc1ccc(NCCCNC(=O)[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)[nH+]c1 ZINC000218987122 209674829 /nfs/dbraw/zinc/67/48/29/209674829.db2.gz NQTCPKZOWAAGBL-LJQANCHMSA-N 2 2 370.453 2.340 50 0 FEAALP Cn1c(CC2CC[NH2+]CC2)nnc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000055198295 540635359 /nfs/dbraw/zinc/63/53/59/540635359.db2.gz BZONGGCGMSZSKZ-SFHVURJKSA-N 2 2 354.502 2.479 50 0 FEAALP Cn1c(CC2CC[NH2+]CC2)nnc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000055198295 540635364 /nfs/dbraw/zinc/63/53/64/540635364.db2.gz BZONGGCGMSZSKZ-SFHVURJKSA-N 2 2 354.502 2.479 50 0 FEAALP CCC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2c[nH+]cn2CC(C)C)C1=O ZINC000067841190 541519930 /nfs/dbraw/zinc/51/99/30/541519930.db2.gz GWBBXDCBRWOLGP-IBGZPJMESA-N 2 2 361.490 2.129 50 0 FEAALP CCCCNC(=O)c1cccc(-c2cc(N3CC[NH+](C)CC3)nc(N)[nH+]2)c1 ZINC000097759430 209197742 /nfs/dbraw/zinc/19/77/42/209197742.db2.gz FUVCADUECCYGFV-UHFFFAOYSA-N 2 2 368.485 2.008 50 0 FEAALP COCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071760960 541771334 /nfs/dbraw/zinc/77/13/34/541771334.db2.gz AULGBXNEWWMKTE-FQEVSTJZSA-N 2 2 373.541 2.168 50 0 FEAALP COCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071760960 541771337 /nfs/dbraw/zinc/77/13/37/541771337.db2.gz AULGBXNEWWMKTE-FQEVSTJZSA-N 2 2 373.541 2.168 50 0 FEAALP c1cn(CC2(CNc3nc(-c4ccccn4)nc4c3CC[NH2+]C4)CC2)c[nH+]1 ZINC000072166630 541793832 /nfs/dbraw/zinc/79/38/32/541793832.db2.gz VXKPKNQRJQLVNU-UHFFFAOYSA-N 2 2 361.453 2.273 50 0 FEAALP Cc1cc(C)n(-c2cccc(C[N@H+](C)Cc3cc4n(n3)CC[NH2+]C4)c2)n1 ZINC000072169976 541795084 /nfs/dbraw/zinc/79/50/84/541795084.db2.gz YVDUIKVTNOYHKR-UHFFFAOYSA-N 2 2 350.470 2.421 50 0 FEAALP Cc1cc(C)n(-c2cccc(C[N@@H+](C)Cc3cc4n(n3)CC[NH2+]C4)c2)n1 ZINC000072169976 541795086 /nfs/dbraw/zinc/79/50/86/541795086.db2.gz YVDUIKVTNOYHKR-UHFFFAOYSA-N 2 2 350.470 2.421 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](CCC(C)(C)C)CC1 ZINC000077505235 542389841 /nfs/dbraw/zinc/38/98/41/542389841.db2.gz OOLVVRSGVGXVQN-UHFFFAOYSA-N 2 2 363.550 2.387 50 0 FEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccccc3C)CC2)[nH+]cn1 ZINC000067601946 208709903 /nfs/dbraw/zinc/70/99/03/208709903.db2.gz COPFSBCQCHZFEM-UHFFFAOYSA-N 2 2 362.437 2.242 50 0 FEAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000095505913 209064445 /nfs/dbraw/zinc/06/44/45/209064445.db2.gz IUEYQKQDPKXHNI-UHFFFAOYSA-N 2 2 363.412 2.138 50 0 FEAALP O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000095516495 209070730 /nfs/dbraw/zinc/07/07/30/209070730.db2.gz LKUBRRLOPQPKPI-IBGZPJMESA-N 2 2 368.481 2.263 50 0 FEAALP COc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)nc(N)[nH+]1 ZINC000091656728 132202974 /nfs/dbraw/zinc/20/29/74/132202974.db2.gz BLBFJDINTLJVTM-HNNXBMFYSA-N 2 2 365.441 2.091 50 0 FEAALP C[C@H](C1CCN(c2cc(N3CCC(O)CC3)[nH+]cn2)CC1)[NH+]1CCCC1 ZINC000095352000 132207036 /nfs/dbraw/zinc/20/70/36/132207036.db2.gz QUBPJMAEXSFFSQ-MRXNPFEDSA-N 2 2 359.518 2.138 50 0 FEAALP C[C@H](C1CCN(c2cc(N3CCC(O)CC3)nc[nH+]2)CC1)[NH+]1CCCC1 ZINC000095352000 132207037 /nfs/dbraw/zinc/20/70/37/132207037.db2.gz QUBPJMAEXSFFSQ-MRXNPFEDSA-N 2 2 359.518 2.138 50 0 FEAALP CN(C)c1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095498516 132212017 /nfs/dbraw/zinc/21/20/17/132212017.db2.gz FIBFMMDTNSWBSN-INIZCTEOSA-N 3 2 357.506 2.075 50 0 FEAALP OCC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1CCc1ccccc1 ZINC000107014943 132240608 /nfs/dbraw/zinc/24/06/08/132240608.db2.gz XCPZNMIHGJQMAW-QGZVFWFLSA-N 2 2 351.454 2.074 50 0 FEAALP OCC[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1CCc1ccccc1 ZINC000107014943 132240609 /nfs/dbraw/zinc/24/06/09/132240609.db2.gz XCPZNMIHGJQMAW-QGZVFWFLSA-N 2 2 351.454 2.074 50 0 FEAALP COc1ccc(OC2CCN(c3cc(C4CC([NH3+])C4)[nH+]c(N)n3)CC2)cc1 ZINC000219631103 132274700 /nfs/dbraw/zinc/27/47/00/132274700.db2.gz RCKNVQZOMIFMIL-UHFFFAOYSA-N 2 2 369.469 2.320 50 0 FEAALP COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1 ZINC000091769024 542824353 /nfs/dbraw/zinc/82/43/53/542824353.db2.gz RPSZMEKSTDMLHV-QGZVFWFLSA-N 2 2 366.469 2.448 50 0 FEAALP COc1cccc(C[N@H+]2CCC[C@@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1 ZINC000091769024 542824356 /nfs/dbraw/zinc/82/43/56/542824356.db2.gz RPSZMEKSTDMLHV-QGZVFWFLSA-N 2 2 366.469 2.448 50 0 FEAALP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091818477 542826701 /nfs/dbraw/zinc/82/67/01/542826701.db2.gz CAKUPQNRWYAIRK-CYGHRXIMSA-N 2 2 352.906 2.490 50 0 FEAALP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccc(Cl)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091818477 542826704 /nfs/dbraw/zinc/82/67/04/542826704.db2.gz CAKUPQNRWYAIRK-CYGHRXIMSA-N 2 2 352.906 2.490 50 0 FEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091818477 542826705 /nfs/dbraw/zinc/82/67/05/542826705.db2.gz CAKUPQNRWYAIRK-CYGHRXIMSA-N 2 2 352.906 2.490 50 0 FEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091818477 542826707 /nfs/dbraw/zinc/82/67/07/542826707.db2.gz CAKUPQNRWYAIRK-CYGHRXIMSA-N 2 2 352.906 2.490 50 0 FEAALP Cc1[nH+]c(CNC(=O)c2ccc(OCCC[NH3+])c(Cl)c2)n(C)c1C ZINC000426420387 263584655 /nfs/dbraw/zinc/58/46/55/263584655.db2.gz RNJOFXWJHKYWJP-UHFFFAOYSA-N 2 2 350.850 2.348 50 0 FEAALP CCC[N@@H+]1CCCn2nc(CNC(=O)C[NH+]3Cc4ccccc4C3)cc2C1 ZINC000082137715 519854549 /nfs/dbraw/zinc/85/45/49/519854549.db2.gz JTSZXARYTNEQFE-UHFFFAOYSA-N 2 2 367.497 2.131 50 0 FEAALP CCC[N@H+]1CCCn2nc(CNC(=O)C[NH+]3Cc4ccccc4C3)cc2C1 ZINC000082137715 519854550 /nfs/dbraw/zinc/85/45/50/519854550.db2.gz JTSZXARYTNEQFE-UHFFFAOYSA-N 2 2 367.497 2.131 50 0 FEAALP Cc1[nH+]ccn1Cc1nnc(C2CCN(c3cc[nH+]cc3F)CC2)n1C ZINC000091708057 527451145 /nfs/dbraw/zinc/45/11/45/527451145.db2.gz XGIBXPBPJMDMPW-UHFFFAOYSA-N 2 2 355.421 2.286 50 0 FEAALP CCN(C)c1cc[nH+]c(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095379065 535765799 /nfs/dbraw/zinc/76/57/99/535765799.db2.gz NAKRACRBSHIRIH-KRWDZBQOSA-N 3 2 371.533 2.465 50 0 FEAALP C[C@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000215023728 548667506 /nfs/dbraw/zinc/66/75/06/548667506.db2.gz MFEFVSWEOUMMJI-MRXNPFEDSA-N 2 2 356.470 2.145 50 0 FEAALP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000240444275 548884789 /nfs/dbraw/zinc/88/47/89/548884789.db2.gz FXDLRNUUKUJOAD-YLJYHZDGSA-N 2 2 357.498 2.218 50 0 FEAALP CC(C)c1[nH+]c2ccccc2n1CC(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000299761385 553611542 /nfs/dbraw/zinc/61/15/42/553611542.db2.gz KWTNHZNIRMUGRX-WMZOPIPTSA-N 2 2 356.470 2.139 50 0 FEAALP Cn1cc[nH+]c1-c1ccc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000426527696 559737025 /nfs/dbraw/zinc/73/70/25/559737025.db2.gz GMWCBRDWEXSAMG-ROUUACIJSA-N 2 2 354.454 2.070 50 0 FEAALP COc1ccc(C(=O)NCc2ccc3[nH]c(C)[nH+]c3c2)c(OCC[NH3+])c1 ZINC000426382855 571217689 /nfs/dbraw/zinc/21/76/89/571217689.db2.gz CDZQFYBQYYGWIK-UHFFFAOYSA-N 2 2 354.410 2.147 50 0 FEAALP COc1ccc(C(=O)NCc2ccc3[nH+]c(C)[nH]c3c2)c(OCC[NH3+])c1 ZINC000426382855 571217691 /nfs/dbraw/zinc/21/76/91/571217691.db2.gz CDZQFYBQYYGWIK-UHFFFAOYSA-N 2 2 354.410 2.147 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C2)c(C)c1 ZINC000023340415 670047633 /nfs/dbraw/zinc/04/76/33/670047633.db2.gz YWTNIRFIQGSDNK-GOSISDBHSA-N 2 2 367.559 2.340 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)c(C)c1 ZINC000023340415 670047636 /nfs/dbraw/zinc/04/76/36/670047636.db2.gz YWTNIRFIQGSDNK-GOSISDBHSA-N 2 2 367.559 2.340 50 0 FEAALP CN(CCn1cc[nH+]c1)C(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000015064995 539610075 /nfs/dbraw/zinc/61/00/75/539610075.db2.gz RAMKHHLGZLEZIA-UHFFFAOYSA-N 2 2 352.482 2.365 50 0 FEAALP Fc1ccc(-n2ncc3c2nc[nH+]c3NCCC[NH+]2CCOCC2)cc1 ZINC000020662100 539676958 /nfs/dbraw/zinc/67/69/58/539676958.db2.gz UAIYBOOXYINUCJ-UHFFFAOYSA-N 2 2 356.405 2.089 50 0 FEAALP COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)CC1 ZINC000020149208 539672600 /nfs/dbraw/zinc/67/26/00/539672600.db2.gz HGCBOHQWYUJMFU-KRWDZBQOSA-N 2 2 355.486 2.205 50 0 FEAALP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000054694875 540604013 /nfs/dbraw/zinc/60/40/13/540604013.db2.gz KBYQNRLMSZBSRZ-INIZCTEOSA-N 2 2 370.419 2.237 50 0 FEAALP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000054694875 540604017 /nfs/dbraw/zinc/60/40/17/540604017.db2.gz KBYQNRLMSZBSRZ-INIZCTEOSA-N 2 2 370.419 2.237 50 0 FEAALP Oc1cccc(C[NH+]2CCC([NH2+]C[C@]3(O)CCC[N@@H+]4CCCC[C@@H]43)CC2)c1 ZINC000063856200 541189162 /nfs/dbraw/zinc/18/91/62/541189162.db2.gz NIDMTCYVVRVLJO-FGZHOGPDSA-N 3 2 373.541 2.326 50 0 FEAALP Oc1cccc(C[NH+]2CCC([NH2+]C[C@]3(O)CCC[N@H+]4CCCC[C@@H]43)CC2)c1 ZINC000063856200 541189165 /nfs/dbraw/zinc/18/91/65/541189165.db2.gz NIDMTCYVVRVLJO-FGZHOGPDSA-N 3 2 373.541 2.326 50 0 FEAALP O=C(COc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)N1CCCCC1 ZINC000065384947 541236439 /nfs/dbraw/zinc/23/64/39/541236439.db2.gz HUDBMPPGEGGQFT-MOPGFXCFSA-N 2 2 357.498 2.404 50 0 FEAALP O=C(COc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)N1CCCCC1 ZINC000065384947 541236443 /nfs/dbraw/zinc/23/64/43/541236443.db2.gz HUDBMPPGEGGQFT-MOPGFXCFSA-N 2 2 357.498 2.404 50 0 FEAALP COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)c1OCCn1cc[nH+]c1 ZINC000102481133 209236397 /nfs/dbraw/zinc/23/63/97/209236397.db2.gz JKBJJQNRXWELMG-PIIMJCKOSA-N 2 2 357.454 2.458 50 0 FEAALP COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)c1OCCn1cc[nH+]c1 ZINC000102481133 209236398 /nfs/dbraw/zinc/23/63/98/209236398.db2.gz JKBJJQNRXWELMG-PIIMJCKOSA-N 2 2 357.454 2.458 50 0 FEAALP CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067562276 541480745 /nfs/dbraw/zinc/48/07/45/541480745.db2.gz VICQZVDWLOTJOQ-MRXNPFEDSA-N 2 2 370.501 2.031 50 0 FEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3cccc(C)c3)CC2)[nH+]cn1 ZINC000067612495 541489801 /nfs/dbraw/zinc/48/98/01/541489801.db2.gz HVBLNGHMXVHQRR-UHFFFAOYSA-N 2 2 362.437 2.242 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccccc2C)[nH+]c(C)n1 ZINC000067613919 541490277 /nfs/dbraw/zinc/49/02/77/541490277.db2.gz OVNRSYOFTFXDSX-UHFFFAOYSA-N 2 2 350.426 2.429 50 0 FEAALP COc1ccc(CCCC(=O)N2CC[N@H+](C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000067689087 541499743 /nfs/dbraw/zinc/49/97/43/541499743.db2.gz NPCDFJKXIFXHIG-UHFFFAOYSA-N 2 2 359.514 2.256 50 0 FEAALP COc1ccc(CCCC(=O)N2CC[N@@H+](C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000067689087 541499746 /nfs/dbraw/zinc/49/97/46/541499746.db2.gz NPCDFJKXIFXHIG-UHFFFAOYSA-N 2 2 359.514 2.256 50 0 FEAALP Cc1c(Cl)cc(C[N@@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc1Cl ZINC000067805905 541515263 /nfs/dbraw/zinc/51/52/63/541515263.db2.gz QNZMPKJUFQPQFL-IRXDYDNUSA-N 2 2 358.313 2.094 50 0 FEAALP Cc1c(Cl)cc(C[N@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc1Cl ZINC000067805905 541515269 /nfs/dbraw/zinc/51/52/69/541515269.db2.gz QNZMPKJUFQPQFL-IRXDYDNUSA-N 2 2 358.313 2.094 50 0 FEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccccc3F)[nH+]cn2)c1C ZINC000072117219 541783483 /nfs/dbraw/zinc/78/34/83/541783483.db2.gz FCDZLWKJZAPRER-UHFFFAOYSA-N 2 2 354.389 2.260 50 0 FEAALP O=C1CC[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]2N1CCCn1cc[nH+]c1 ZINC000072412092 541807564 /nfs/dbraw/zinc/80/75/64/541807564.db2.gz FSEVOQIPIXTRJF-RBUKOAKNSA-N 2 2 353.470 2.181 50 0 FEAALP O=C1CC[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]2N1CCCn1cc[nH+]c1 ZINC000072412092 541807565 /nfs/dbraw/zinc/80/75/65/541807565.db2.gz FSEVOQIPIXTRJF-RBUKOAKNSA-N 2 2 353.470 2.181 50 0 FEAALP CCCn1cc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C)CC2)c(C)n1 ZINC000077357492 542371907 /nfs/dbraw/zinc/37/19/07/542371907.db2.gz HSEUNMDJCVRRQE-UHFFFAOYSA-N 2 2 359.522 2.171 50 0 FEAALP CCn1cc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)cn1 ZINC000077355771 542371983 /nfs/dbraw/zinc/37/19/83/542371983.db2.gz FMJQLDYFSZRUND-UHFFFAOYSA-N 2 2 357.506 2.007 50 0 FEAALP Cn1c2ccccc2nc1C[N@@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091876621 209002732 /nfs/dbraw/zinc/00/27/32/209002732.db2.gz JXUCUGNDXJIDMJ-QZTJIDSGSA-N 2 2 356.514 2.490 50 0 FEAALP Cn1c2ccccc2nc1C[N@H+]1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091876621 209002736 /nfs/dbraw/zinc/00/27/36/209002736.db2.gz JXUCUGNDXJIDMJ-QZTJIDSGSA-N 2 2 356.514 2.490 50 0 FEAALP Cc1[nH+]ccn1CC1(CNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000096151563 132220643 /nfs/dbraw/zinc/22/06/43/132220643.db2.gz OFLREWMFZZOZIY-KRWDZBQOSA-N 2 2 353.470 2.400 50 0 FEAALP C[N@@H+]1CCC[C@@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)C1 ZINC000091830515 542827723 /nfs/dbraw/zinc/82/77/23/542827723.db2.gz GZGOYSOSTLVVOR-LJQANCHMSA-N 2 2 367.497 2.374 50 0 FEAALP C[N@H+]1CCC[C@@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)C1 ZINC000091830515 542827724 /nfs/dbraw/zinc/82/77/24/542827724.db2.gz GZGOYSOSTLVVOR-LJQANCHMSA-N 2 2 367.497 2.374 50 0 FEAALP Cc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc[nH+]1 ZINC000071416229 136139126 /nfs/dbraw/zinc/13/91/26/136139126.db2.gz DEUCXTHKJUPPGQ-KRWDZBQOSA-N 2 2 357.502 2.088 50 0 FEAALP Cc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc[nH+]1 ZINC000071416229 136139127 /nfs/dbraw/zinc/13/91/27/136139127.db2.gz DEUCXTHKJUPPGQ-KRWDZBQOSA-N 2 2 357.502 2.088 50 0 FEAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccco4)CC3)[nH+]c(C)n2)c1C ZINC000072437288 136147425 /nfs/dbraw/zinc/14/74/25/136147425.db2.gz BPEJNCGWTKFPQG-UHFFFAOYSA-N 2 2 366.425 2.143 50 0 FEAALP CC(C)n1cc[nH+]c1CN1CC[N@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000108032121 543282186 /nfs/dbraw/zinc/28/21/86/543282186.db2.gz YSTRASOCCHCGBD-OAQYLSRUSA-N 2 2 373.545 2.373 50 0 FEAALP CC(C)n1cc[nH+]c1CN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000108032121 543282188 /nfs/dbraw/zinc/28/21/88/543282188.db2.gz YSTRASOCCHCGBD-OAQYLSRUSA-N 2 2 373.545 2.373 50 0 FEAALP CCCCC(=O)N1CCN(c2cc(-n3c[nH+]c(C)c3C)nc(C)[nH+]2)CC1 ZINC000085534085 519907884 /nfs/dbraw/zinc/90/78/84/519907884.db2.gz WHCRZNVJEQMBLQ-UHFFFAOYSA-N 2 2 356.474 2.426 50 0 FEAALP C[NH+](C)[C@H](C(=O)N1CC[NH+](CCn2cccc2)CC1)c1cccc(F)c1 ZINC000091656270 522063237 /nfs/dbraw/zinc/06/32/37/522063237.db2.gz YSVVSLXUEYOXCE-IBGZPJMESA-N 2 2 358.461 2.074 50 0 FEAALP C[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020994505 523342261 /nfs/dbraw/zinc/34/22/61/523342261.db2.gz OUEHJSPIMWRUKV-OAQYLSRUSA-N 2 2 370.493 2.391 50 0 FEAALP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020994505 523342268 /nfs/dbraw/zinc/34/22/68/523342268.db2.gz OUEHJSPIMWRUKV-OAQYLSRUSA-N 2 2 370.493 2.391 50 0 FEAALP CCNc1cc[nH+]c(N2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)n1 ZINC000072454029 535526751 /nfs/dbraw/zinc/52/67/51/535526751.db2.gz NRDZCMMXQMCBCS-OAHLLOKOSA-N 2 2 370.505 2.017 50 0 FEAALP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000171239869 546199306 /nfs/dbraw/zinc/19/93/06/546199306.db2.gz GGKHGNDSFSDSLG-GOSISDBHSA-N 2 2 360.502 2.007 50 0 FEAALP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000171239869 546199310 /nfs/dbraw/zinc/19/93/10/546199310.db2.gz GGKHGNDSFSDSLG-GOSISDBHSA-N 2 2 360.502 2.007 50 0 FEAALP Cc1nnc([C@H]2CCC[N@H+]2CCN2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000241081934 548884710 /nfs/dbraw/zinc/88/47/10/548884710.db2.gz YSUPSFLLKOYGDU-LJQANCHMSA-N 2 2 354.502 2.068 50 0 FEAALP CN1C(=O)CCC12CC[NH+](C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000244811542 548895612 /nfs/dbraw/zinc/89/56/12/548895612.db2.gz SGNQBOBQPCKCII-HXUWFJFHSA-N 2 2 371.525 2.364 50 0 FEAALP CN1C(=O)CCC12CC[NH+](C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000244811542 548895616 /nfs/dbraw/zinc/89/56/16/548895616.db2.gz SGNQBOBQPCKCII-HXUWFJFHSA-N 2 2 371.525 2.364 50 0 FEAALP COCCn1c(C[NH2+]Cc2cc3ccccc3o2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244874789 548898390 /nfs/dbraw/zinc/89/83/90/548898390.db2.gz XHISLTMNWZLNPX-SHTZXODSSA-N 2 2 355.442 2.165 50 0 FEAALP CCn1c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nc2ccccc21 ZINC000248126716 549407950 /nfs/dbraw/zinc/40/79/50/549407950.db2.gz LZCGEGAPVWCKHU-UHFFFAOYSA-N 2 2 369.513 2.042 50 0 FEAALP CCn1nc(C)c(NC(=O)C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)c1C ZINC000252485087 549667879 /nfs/dbraw/zinc/66/78/79/549667879.db2.gz GNJMEVFSHFKNBQ-UHFFFAOYSA-N 2 2 358.490 2.375 50 0 FEAALP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000283390541 551358527 /nfs/dbraw/zinc/35/85/27/551358527.db2.gz APGOORHEXOJDKQ-IBGZPJMESA-N 2 2 374.529 2.005 50 0 FEAALP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000283390541 551358529 /nfs/dbraw/zinc/35/85/29/551358529.db2.gz APGOORHEXOJDKQ-IBGZPJMESA-N 2 2 374.529 2.005 50 0 FEAALP Cc1ccc(-c2ccc(C(=O)NC3CC[NH+](CC(N)=O)CC3)cc2)c(C)[nH+]1 ZINC000426505637 559736303 /nfs/dbraw/zinc/73/63/03/559736303.db2.gz FEARNBXFYSYIJI-UHFFFAOYSA-N 2 2 366.465 2.045 50 0 FEAALP C[NH+]1CCC([NH+]2CCN(C(=O)NCc3cnc4ccccc4c3)CC2)CC1 ZINC000426584837 559738359 /nfs/dbraw/zinc/73/83/59/559738359.db2.gz RHVUEPYXYATSRL-UHFFFAOYSA-N 2 2 367.497 2.156 50 0 FEAALP COc1cccc(C[NH+]2CCN(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000534673596 562540083 /nfs/dbraw/zinc/54/00/83/562540083.db2.gz HWUMZCOQIQZTLZ-SFHVURJKSA-N 2 2 374.529 2.397 50 0 FEAALP COc1cccc(C[NH+]2CCN(C(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000534673596 562540084 /nfs/dbraw/zinc/54/00/84/562540084.db2.gz HWUMZCOQIQZTLZ-SFHVURJKSA-N 2 2 374.529 2.397 50 0 FEAALP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000584888614 571314262 /nfs/dbraw/zinc/31/42/62/571314262.db2.gz PULLFJDBEBOPKU-GOSISDBHSA-N 2 2 374.529 2.340 50 0 FEAALP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000584888614 571314263 /nfs/dbraw/zinc/31/42/63/571314263.db2.gz PULLFJDBEBOPKU-GOSISDBHSA-N 2 2 374.529 2.340 50 0 FEAALP Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000014979162 539607930 /nfs/dbraw/zinc/60/79/30/539607930.db2.gz DHJSYCXJVONKRK-QGZVFWFLSA-N 2 2 371.522 2.171 50 0 FEAALP Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000014979162 539607935 /nfs/dbraw/zinc/60/79/35/539607935.db2.gz DHJSYCXJVONKRK-QGZVFWFLSA-N 2 2 371.522 2.171 50 0 FEAALP COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)CC1 ZINC000020149207 539672461 /nfs/dbraw/zinc/67/24/61/539672461.db2.gz HGCBOHQWYUJMFU-QGZVFWFLSA-N 2 2 355.486 2.205 50 0 FEAALP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025413256 539759646 /nfs/dbraw/zinc/75/96/46/539759646.db2.gz CBIYNIISAKDDAK-KSZLIROESA-N 2 2 359.514 2.265 50 0 FEAALP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000025413256 539759648 /nfs/dbraw/zinc/75/96/48/539759648.db2.gz CBIYNIISAKDDAK-KSZLIROESA-N 2 2 359.514 2.265 50 0 FEAALP C[N@@H+]1CCCNC(=O)C12CC[NH+](Cc1ccc3c(c1)CC(C)(C)O3)CC2 ZINC000067604448 541487742 /nfs/dbraw/zinc/48/77/42/541487742.db2.gz AXYOZMMEWQLENT-UHFFFAOYSA-N 2 2 357.498 2.186 50 0 FEAALP C[N@H+]1CCCNC(=O)C12CC[NH+](Cc1ccc3c(c1)CC(C)(C)O3)CC2 ZINC000067604448 541487746 /nfs/dbraw/zinc/48/77/46/541487746.db2.gz AXYOZMMEWQLENT-UHFFFAOYSA-N 2 2 357.498 2.186 50 0 FEAALP CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(C[NH+](C)Cc2ccccc2)on1 ZINC000067713377 541504117 /nfs/dbraw/zinc/50/41/17/541504117.db2.gz AYGHNIHLUVRWKG-QGZVFWFLSA-N 2 2 356.470 2.473 50 0 FEAALP CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(C[NH+](C)Cc2ccccc2)on1 ZINC000067713377 541504122 /nfs/dbraw/zinc/50/41/22/541504122.db2.gz AYGHNIHLUVRWKG-QGZVFWFLSA-N 2 2 356.470 2.473 50 0 FEAALP CN(C[C@H]1CCC[NH+]1C)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067713377 541504126 /nfs/dbraw/zinc/50/41/26/541504126.db2.gz AYGHNIHLUVRWKG-QGZVFWFLSA-N 2 2 356.470 2.473 50 0 FEAALP CN(C[C@H]1CCC[NH+]1C)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067713377 541504129 /nfs/dbraw/zinc/50/41/29/541504129.db2.gz AYGHNIHLUVRWKG-QGZVFWFLSA-N 2 2 356.470 2.473 50 0 FEAALP C[C@H](Sc1ccccn1)C(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067817210 541517027 /nfs/dbraw/zinc/51/70/27/541517027.db2.gz PSTAUOVDYTWTQG-INIZCTEOSA-N 2 2 362.543 2.191 50 0 FEAALP C[C@H](Sc1ccccn1)C(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067817210 541517028 /nfs/dbraw/zinc/51/70/28/541517028.db2.gz PSTAUOVDYTWTQG-INIZCTEOSA-N 2 2 362.543 2.191 50 0 FEAALP Cc1cccc(Cl)c1OCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000097492542 209182817 /nfs/dbraw/zinc/18/28/17/209182817.db2.gz RSZZHZSCZSZQMX-KRWDZBQOSA-N 2 2 365.905 2.360 50 0 FEAALP Cc1cccc(Cl)c1OCCNC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000097492542 209182820 /nfs/dbraw/zinc/18/28/20/209182820.db2.gz RSZZHZSCZSZQMX-KRWDZBQOSA-N 2 2 365.905 2.360 50 0 FEAALP CCn1cc[nH+]c1CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071524284 541767722 /nfs/dbraw/zinc/76/77/22/541767722.db2.gz IZQGUGHBYBTTPE-GOSISDBHSA-N 2 2 373.545 2.202 50 0 FEAALP CCn1cc[nH+]c1CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071524284 541767723 /nfs/dbraw/zinc/76/77/23/541767723.db2.gz IZQGUGHBYBTTPE-GOSISDBHSA-N 2 2 373.545 2.202 50 0 FEAALP Cn1c[nH+]cc1C[N@@H+]1CCc2ncnc(NCc3cccs3)c2CC1 ZINC000072423696 541809988 /nfs/dbraw/zinc/80/99/88/541809988.db2.gz UOWANQQXRDRSET-UHFFFAOYSA-N 2 2 354.483 2.485 50 0 FEAALP Cn1c[nH+]cc1C[N@H+]1CCc2ncnc(NCc3cccs3)c2CC1 ZINC000072423696 541809992 /nfs/dbraw/zinc/80/99/92/541809992.db2.gz UOWANQQXRDRSET-UHFFFAOYSA-N 2 2 354.483 2.485 50 0 FEAALP Cc1nc[nH]c1C[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072425354 541810869 /nfs/dbraw/zinc/81/08/69/541810869.db2.gz KXAUYHBZCQDNTH-INIZCTEOSA-N 2 2 357.506 2.212 50 0 FEAALP Cc1nc[nH]c1C[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072425354 541810872 /nfs/dbraw/zinc/81/08/72/541810872.db2.gz KXAUYHBZCQDNTH-INIZCTEOSA-N 2 2 357.506 2.212 50 0 FEAALP COc1ccc(CCC(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000012075393 207335431 /nfs/dbraw/zinc/33/54/31/207335431.db2.gz ABHAAVCAIPUIIG-GOSISDBHSA-N 2 2 359.514 2.303 50 0 FEAALP COc1ccc(CCC(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000012075393 207335436 /nfs/dbraw/zinc/33/54/36/207335436.db2.gz ABHAAVCAIPUIIG-GOSISDBHSA-N 2 2 359.514 2.303 50 0 FEAALP O=C(NC1CCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000012306487 207358651 /nfs/dbraw/zinc/35/86/51/207358651.db2.gz MXSTWPOXPUUNJJ-GOSISDBHSA-N 2 2 356.514 2.427 50 0 FEAALP O=C(NC1CCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000012306487 207358656 /nfs/dbraw/zinc/35/86/56/207358656.db2.gz MXSTWPOXPUUNJJ-GOSISDBHSA-N 2 2 356.514 2.427 50 0 FEAALP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccc4[nH]ccc4c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091952248 209007155 /nfs/dbraw/zinc/00/71/55/209007155.db2.gz UWMUHWZJLFTZKS-WOUAJJJCSA-N 2 2 357.498 2.317 50 0 FEAALP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccc4[nH]ccc4c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091952248 209007160 /nfs/dbraw/zinc/00/71/60/209007160.db2.gz UWMUHWZJLFTZKS-WOUAJJJCSA-N 2 2 357.498 2.317 50 0 FEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091952248 209007161 /nfs/dbraw/zinc/00/71/61/209007161.db2.gz UWMUHWZJLFTZKS-WOUAJJJCSA-N 2 2 357.498 2.317 50 0 FEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091952248 209007164 /nfs/dbraw/zinc/00/71/64/209007164.db2.gz UWMUHWZJLFTZKS-WOUAJJJCSA-N 2 2 357.498 2.317 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2ccncc2F)CC1 ZINC000095354220 209024113 /nfs/dbraw/zinc/02/41/13/209024113.db2.gz BKHHYKSQDUYZKU-UHFFFAOYSA-N 2 2 359.449 2.389 50 0 FEAALP CC[C@H](Cn1cc[nH+]c1)NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000095355077 132207147 /nfs/dbraw/zinc/20/71/47/132207147.db2.gz YRXKANPGMUMDJC-LJQANCHMSA-N 2 2 369.513 2.299 50 0 FEAALP Cc1ccccc1C[NH+]1CCN(c2cc(N3CCCC3)[nH+]c(N)n2)CC1 ZINC000095363112 132208022 /nfs/dbraw/zinc/20/80/22/132208022.db2.gz XCAUTEBLVFNZPX-UHFFFAOYSA-N 2 2 352.486 2.290 50 0 FEAALP CCc1cc(N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)nc(C)[nH+]1 ZINC000230179196 132289238 /nfs/dbraw/zinc/28/92/38/132289238.db2.gz WXLSGGQXQNUHQD-OAQYLSRUSA-N 2 2 371.529 2.261 50 0 FEAALP CCc1cc(N2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)nc(C)[nH+]1 ZINC000230179196 132289240 /nfs/dbraw/zinc/28/92/40/132289240.db2.gz WXLSGGQXQNUHQD-OAQYLSRUSA-N 2 2 371.529 2.261 50 0 FEAALP C[C@@H]1C[N@@H+](C[C@@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091746792 542823877 /nfs/dbraw/zinc/82/38/77/542823877.db2.gz DMBJPRUNPOSABH-LXTVHRRPSA-N 2 2 373.419 2.254 50 0 FEAALP C[C@@H]1C[N@H+](C[C@@H]2CN(c3cc(C(F)(F)F)cc[nH+]3)C[C@@H]2CO)C[C@H](C)O1 ZINC000091746792 542823881 /nfs/dbraw/zinc/82/38/81/542823881.db2.gz DMBJPRUNPOSABH-LXTVHRRPSA-N 2 2 373.419 2.254 50 0 FEAALP Cn1ccnc1C[NH+]1CCC(c2nnc(C[NH+]3CCCCCC3)n2C)CC1 ZINC000091807941 542826823 /nfs/dbraw/zinc/82/68/23/542826823.db2.gz NXPQCWVPMRMEBS-UHFFFAOYSA-N 2 2 371.533 2.304 50 0 FEAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000097499630 543012093 /nfs/dbraw/zinc/01/20/93/543012093.db2.gz RBCLVQQTNYSFGV-SFHVURJKSA-N 2 2 362.518 2.305 50 0 FEAALP CN1CCC[C@@]2(CC[N@H+](Cc3ccccc3OCCn3cc[nH+]c3)C2)C1=O ZINC000091619960 523837323 /nfs/dbraw/zinc/83/73/23/523837323.db2.gz QEKPKXIAOWSCMS-NRFANRHFSA-N 2 2 368.481 2.406 50 0 FEAALP CN1CCC[C@@]2(CC[N@@H+](Cc3ccccc3OCCn3cc[nH+]c3)C2)C1=O ZINC000091619960 523837328 /nfs/dbraw/zinc/83/73/28/523837328.db2.gz QEKPKXIAOWSCMS-NRFANRHFSA-N 2 2 368.481 2.406 50 0 FEAALP CC(C)c1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000095468687 535369544 /nfs/dbraw/zinc/36/95/44/535369544.db2.gz YWZYZZVMWPZQJY-UHFFFAOYSA-N 2 2 362.518 2.387 50 0 FEAALP Cn1nc(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)c2c1cccc2Cl ZINC000215002202 548668109 /nfs/dbraw/zinc/66/81/09/548668109.db2.gz GEHSUYKKDMWBOE-UHFFFAOYSA-N 2 2 359.861 2.450 50 0 FEAALP O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000215305729 548670670 /nfs/dbraw/zinc/67/06/70/548670670.db2.gz XTLVVOMKDAEANW-HNNXBMFYSA-N 2 2 371.403 2.418 50 0 FEAALP O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000215305729 548670677 /nfs/dbraw/zinc/67/06/77/548670677.db2.gz XTLVVOMKDAEANW-HNNXBMFYSA-N 2 2 371.403 2.418 50 0 FEAALP Cc1nc2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC[NH+](C)CC3)ccc2n1C ZINC000223393619 548720054 /nfs/dbraw/zinc/72/00/54/548720054.db2.gz HRABFQVFBQYCAF-FQEVSTJZSA-N 2 2 369.513 2.057 50 0 FEAALP Cc1nc2cc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC[NH+](C)CC3)ccc2n1C ZINC000223393619 548720060 /nfs/dbraw/zinc/72/00/60/548720060.db2.gz HRABFQVFBQYCAF-FQEVSTJZSA-N 2 2 369.513 2.057 50 0 FEAALP Nc1nc(NCc2ccc(N3CCCC3=O)cc2)cc([C@H]2C[C@H]([NH3+])C2)[nH+]1 ZINC000244874163 548898328 /nfs/dbraw/zinc/89/83/28/548898328.db2.gz WVTZGLYCOWWDGP-HDJSIYSDSA-N 2 2 352.442 2.002 50 0 FEAALP COCC[NH+]1CCC([NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 ZINC000252491015 549669069 /nfs/dbraw/zinc/66/90/69/549669069.db2.gz LIISEXRBLUQDLR-UHFFFAOYSA-N 2 2 372.435 2.333 50 0 FEAALP Cc1[nH]c2ccc(CNC(=O)C3CC[NH+](C4CCOCC4)CC3)cc2[nH+]1 ZINC000299758952 553610824 /nfs/dbraw/zinc/61/08/24/553610824.db2.gz FXQRAVUKVCVIMQ-UHFFFAOYSA-N 2 2 356.470 2.379 50 0 FEAALP Cc1[nH]c2cc(CNC(=O)C3CC[NH+](C4CCOCC4)CC3)ccc2[nH+]1 ZINC000299758952 553610828 /nfs/dbraw/zinc/61/08/28/553610828.db2.gz FXQRAVUKVCVIMQ-UHFFFAOYSA-N 2 2 356.470 2.379 50 0 FEAALP CN(C)c1[nH+]cc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)n1C ZINC000331917231 554346292 /nfs/dbraw/zinc/34/62/92/554346292.db2.gz SSZMCPSSJQQZQW-UHFFFAOYSA-N 2 2 362.522 2.082 50 0 FEAALP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC[C@@]1(C)CC[N@H+](C)C1 ZINC000426551814 559737574 /nfs/dbraw/zinc/73/75/74/559737574.db2.gz NQFILUFSAPZXLG-HXUWFJFHSA-N 2 2 355.486 2.415 50 0 FEAALP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NC[C@@]1(C)CC[N@@H+](C)C1 ZINC000426551814 559737575 /nfs/dbraw/zinc/73/75/75/559737575.db2.gz NQFILUFSAPZXLG-HXUWFJFHSA-N 2 2 355.486 2.415 50 0 FEAALP Cn1cc[nH+]c1-c1cccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000426361417 571215475 /nfs/dbraw/zinc/21/54/75/571215475.db2.gz UXRRNYSUSAFMJL-SFHVURJKSA-N 2 2 356.470 2.270 50 0 FEAALP C[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000185142320 672521093 /nfs/dbraw/zinc/52/10/93/672521093.db2.gz TWHJXUOUYJSMHQ-AWEZNQCLSA-N 2 2 362.499 2.249 50 0 FEAALP C[NH+](C)CCCNC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000042922687 540082642 /nfs/dbraw/zinc/08/26/42/540082642.db2.gz BOKHBSJCHJEPIS-UHFFFAOYSA-N 2 2 372.435 2.484 50 0 FEAALP Cn1c(CC2CC[NH2+]CC2)nnc1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055198292 540635294 /nfs/dbraw/zinc/63/52/94/540635294.db2.gz BZONGGCGMSZSKZ-GOSISDBHSA-N 2 2 354.502 2.479 50 0 FEAALP Cn1c(CC2CC[NH2+]CC2)nnc1C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000055198292 540635297 /nfs/dbraw/zinc/63/52/97/540635297.db2.gz BZONGGCGMSZSKZ-GOSISDBHSA-N 2 2 354.502 2.479 50 0 FEAALP Cc1ccc2[nH]c(CCC(=O)N3CCC[C@](O)(C[NH+](C)C)C3)[nH+]c2c1C ZINC000072153034 541791001 /nfs/dbraw/zinc/79/10/01/541791001.db2.gz IMJRCOFDOSMSJE-FQEVSTJZSA-N 2 2 358.486 2.027 50 0 FEAALP c1c(C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)nn2c1C[NH2+]CC2 ZINC000072167498 541793982 /nfs/dbraw/zinc/79/39/82/541793982.db2.gz NMFOEDNXCQVSRT-HNNXBMFYSA-N 2 2 350.470 2.317 50 0 FEAALP c1c(C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)nn2c1C[NH2+]CC2 ZINC000072167498 541793987 /nfs/dbraw/zinc/79/39/87/541793987.db2.gz NMFOEDNXCQVSRT-HNNXBMFYSA-N 2 2 350.470 2.317 50 0 FEAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000072419582 541808462 /nfs/dbraw/zinc/80/84/62/541808462.db2.gz VJWMTHPMDOVVNY-KRWDZBQOSA-N 3 2 360.550 2.075 50 0 FEAALP Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000072419582 541808466 /nfs/dbraw/zinc/80/84/66/541808466.db2.gz VJWMTHPMDOVVNY-KRWDZBQOSA-N 3 2 360.550 2.075 50 0 FEAALP Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000072419582 541808468 /nfs/dbraw/zinc/80/84/68/541808468.db2.gz VJWMTHPMDOVVNY-KRWDZBQOSA-N 2 2 360.550 2.075 50 0 FEAALP Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000072419582 541808471 /nfs/dbraw/zinc/80/84/71/541808471.db2.gz VJWMTHPMDOVVNY-KRWDZBQOSA-N 2 2 360.550 2.075 50 0 FEAALP CC(C)(O)CCc1ccc(C[NH+]2CCN(CCn3cc[nH+]c3)CC2)cc1 ZINC000072421117 541809293 /nfs/dbraw/zinc/80/92/93/541809293.db2.gz XWDHCBWXXVGUCQ-UHFFFAOYSA-N 2 2 356.514 2.404 50 0 FEAALP CCOC(=O)c1nn(CC[NH+](C)C)c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000020778473 211295483 /nfs/dbraw/zinc/29/54/83/211295483.db2.gz NSTMHBJWVOVLRA-UHFFFAOYSA-N 2 2 356.470 2.180 50 0 FEAALP CCOC(=O)c1nn(CC[NH+](C)C)c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000020778473 211295484 /nfs/dbraw/zinc/29/54/84/211295484.db2.gz NSTMHBJWVOVLRA-UHFFFAOYSA-N 2 2 356.470 2.180 50 0 FEAALP CC[NH+]1CCC([NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)CC1 ZINC000077470070 542385989 /nfs/dbraw/zinc/38/59/89/542385989.db2.gz FPHAUTKUUYRNAV-UHFFFAOYSA-N 3 2 360.550 2.075 50 0 FEAALP CC[NH+]1CCC([NH+]2CCC(c3nnc(CN4CCCC4)n3C)CC2)CC1 ZINC000077470070 542385993 /nfs/dbraw/zinc/38/59/93/542385993.db2.gz FPHAUTKUUYRNAV-UHFFFAOYSA-N 2 2 360.550 2.075 50 0 FEAALP CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(C[NH+]2CCc3ccccc3C2)on1 ZINC000067514140 221258415 /nfs/dbraw/zinc/25/84/15/221258415.db2.gz GVZQXTOMYBYTHR-GOSISDBHSA-N 2 2 368.481 2.399 50 0 FEAALP CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(C[NH+]2CCc3ccccc3C2)on1 ZINC000067514140 221258416 /nfs/dbraw/zinc/25/84/16/221258416.db2.gz GVZQXTOMYBYTHR-GOSISDBHSA-N 2 2 368.481 2.399 50 0 FEAALP CN(C[C@H]1CCC[NH+]1C)C(=O)c1cc(C[N@@H+]2CCc3ccccc3C2)on1 ZINC000067514140 221258418 /nfs/dbraw/zinc/25/84/18/221258418.db2.gz GVZQXTOMYBYTHR-GOSISDBHSA-N 2 2 368.481 2.399 50 0 FEAALP CN(C[C@H]1CCC[NH+]1C)C(=O)c1cc(C[N@H+]2CCc3ccccc3C2)on1 ZINC000067514140 221258419 /nfs/dbraw/zinc/25/84/19/221258419.db2.gz GVZQXTOMYBYTHR-GOSISDBHSA-N 2 2 368.481 2.399 50 0 FEAALP O=C(c1ccccn1)N1CCC([N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)CC1 ZINC000067910428 221304473 /nfs/dbraw/zinc/30/44/73/221304473.db2.gz WKIMDIJZDIWWSR-QGZVFWFLSA-N 2 2 353.470 2.295 50 0 FEAALP O=C(c1ccccn1)N1CCC([N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)CC1 ZINC000067910428 221304476 /nfs/dbraw/zinc/30/44/76/221304476.db2.gz WKIMDIJZDIWWSR-QGZVFWFLSA-N 2 2 353.470 2.295 50 0 FEAALP Cc1cccc(C[NH+]2CCN(c3cc(N4CCC(O)CC4)[nH+]cn3)CC2)c1 ZINC000095507090 132212807 /nfs/dbraw/zinc/21/28/07/132212807.db2.gz FURDCSUHKGTAAF-UHFFFAOYSA-N 2 2 367.497 2.068 50 0 FEAALP Nc1nc(N2CCC(OCc3ccccc3)CC2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220002687 132275678 /nfs/dbraw/zinc/27/56/78/132275678.db2.gz UEDOXMOQPIGCBU-UHFFFAOYSA-N 2 2 353.470 2.449 50 0 FEAALP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3cccc(F)c3F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091452346 542807961 /nfs/dbraw/zinc/80/79/61/542807961.db2.gz AYGHTXPVIDGFGP-YALNPMBYSA-N 2 2 354.441 2.114 50 0 FEAALP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3cccc(F)c3F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091452346 542807963 /nfs/dbraw/zinc/80/79/63/542807963.db2.gz AYGHTXPVIDGFGP-YALNPMBYSA-N 2 2 354.441 2.114 50 0 FEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3cccc(F)c3F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091452346 542807965 /nfs/dbraw/zinc/80/79/65/542807965.db2.gz AYGHTXPVIDGFGP-YALNPMBYSA-N 2 2 354.441 2.114 50 0 FEAALP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3cccc(F)c3F)C[C@@H]2CO)C[C@H](C)O1 ZINC000091452346 542807966 /nfs/dbraw/zinc/80/79/66/542807966.db2.gz AYGHTXPVIDGFGP-YALNPMBYSA-N 2 2 354.441 2.114 50 0 FEAALP CCOc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091793957 542826057 /nfs/dbraw/zinc/82/60/57/542826057.db2.gz YXJQYPGHTGENPJ-PIKOESSRSA-N 2 2 362.514 2.235 50 0 FEAALP CCOc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091793957 542826061 /nfs/dbraw/zinc/82/60/61/542826061.db2.gz YXJQYPGHTGENPJ-PIKOESSRSA-N 2 2 362.514 2.235 50 0 FEAALP CCOc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091793957 542826065 /nfs/dbraw/zinc/82/60/65/542826065.db2.gz YXJQYPGHTGENPJ-PIKOESSRSA-N 2 2 362.514 2.235 50 0 FEAALP CCOc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000091793957 542826067 /nfs/dbraw/zinc/82/60/67/542826067.db2.gz YXJQYPGHTGENPJ-PIKOESSRSA-N 2 2 362.514 2.235 50 0 FEAALP Cc1cccc(N2CC[NH+](CC(=O)N3CCC4(CC[NH2+]CC4)CC3)CC2)c1 ZINC000071759406 136140495 /nfs/dbraw/zinc/14/04/95/136140495.db2.gz DLXAVFUNYVACQJ-UHFFFAOYSA-N 2 2 370.541 2.109 50 0 FEAALP Cc1nc(N2CCC[C@@]3(CCC(=O)N(CC[NH+](C)C)C3)C2)c(C)c(C)[nH+]1 ZINC000072447233 136148012 /nfs/dbraw/zinc/14/80/12/136148012.db2.gz ROUPWKSGABQZJP-FQEVSTJZSA-N 2 2 359.518 2.172 50 0 FEAALP O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000095355035 542958041 /nfs/dbraw/zinc/95/80/41/542958041.db2.gz AKUODXGHXCKFOS-LJQANCHMSA-N 2 2 368.481 2.231 50 0 FEAALP O=C([C@@H]1CCC[N@@H+](Cc2ccco2)C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000095355035 542958043 /nfs/dbraw/zinc/95/80/43/542958043.db2.gz AKUODXGHXCKFOS-LJQANCHMSA-N 2 2 368.481 2.231 50 0 FEAALP COc1cccc([C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095364221 542961094 /nfs/dbraw/zinc/96/10/94/542961094.db2.gz BCTPYSNWLLOHJQ-HMXCVIKNSA-N 2 2 366.465 2.050 50 0 FEAALP CCn1ncc(C(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)c1C ZINC000095522201 542980209 /nfs/dbraw/zinc/98/02/09/542980209.db2.gz LMMMVRCOTKZTMD-KRWDZBQOSA-N 2 2 372.517 2.379 50 0 FEAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1 ZINC000095528104 542982055 /nfs/dbraw/zinc/98/20/55/542982055.db2.gz BVXZENGQHGZNDO-GOSISDBHSA-N 2 2 374.460 2.023 50 0 FEAALP Cc1cc(Cl)ccc1OCC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000096139490 222042565 /nfs/dbraw/zinc/04/25/65/222042565.db2.gz TWZCUXUBMQKNLL-MRXNPFEDSA-N 2 2 365.905 2.171 50 0 FEAALP c1cc(OCCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000097155841 222164460 /nfs/dbraw/zinc/16/44/60/222164460.db2.gz JWHXWVQLTUTWJT-QFIPXVFZSA-N 3 2 373.541 2.363 50 0 FEAALP c1cc(OCCC[NH+]2CCOCC2)ccc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000097155841 222164463 /nfs/dbraw/zinc/16/44/63/222164463.db2.gz JWHXWVQLTUTWJT-QFIPXVFZSA-N 3 2 373.541 2.363 50 0 FEAALP CCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CSCC[NH+]2CCCC2)C1 ZINC000091625256 523555774 /nfs/dbraw/zinc/55/57/74/523555774.db2.gz VRQOFXDNUQHZCL-MRXNPFEDSA-N 2 2 350.532 2.438 50 0 FEAALP Cc1nc(N2CCC(c3nnc(Cn4cc[nH+]c4)n3C3CC3)CC2)cc[nH+]1 ZINC000091691164 527344151 /nfs/dbraw/zinc/34/41/51/527344151.db2.gz NXRUZWSEPMFWOX-UHFFFAOYSA-N 2 2 364.457 2.340 50 0 FEAALP CCC[NH+]1CCC([NH+]2CCN(Cc3cn(C)nc3C(F)F)CC2)CC1 ZINC000170598065 546163864 /nfs/dbraw/zinc/16/38/64/546163864.db2.gz XIVORLHRVFGUQC-UHFFFAOYSA-N 2 2 355.477 2.350 50 0 FEAALP CCC[NH+]1CCC(N2CC[NH+](Cc3cn(C)nc3C(F)F)CC2)CC1 ZINC000170598065 546163869 /nfs/dbraw/zinc/16/38/69/546163869.db2.gz XIVORLHRVFGUQC-UHFFFAOYSA-N 2 2 355.477 2.350 50 0 FEAALP Cc1nnc(SCCCNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)s1 ZINC000223363141 548719253 /nfs/dbraw/zinc/71/92/53/548719253.db2.gz YGNFTJQWXDPGGV-UHFFFAOYSA-N 2 2 351.505 2.018 50 0 FEAALP Cc1cc(=O)n(CC[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(=O)[nH]1 ZINC000253536623 549691640 /nfs/dbraw/zinc/69/16/40/549691640.db2.gz IUWWKHJJTPXPGR-OAHLLOKOSA-N 2 2 367.453 2.088 50 0 FEAALP Cc1cc(=O)n(CC[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)c(=O)[nH]1 ZINC000253536623 549691643 /nfs/dbraw/zinc/69/16/43/549691643.db2.gz IUWWKHJJTPXPGR-OAHLLOKOSA-N 2 2 367.453 2.088 50 0 FEAALP O=C(NC1CC[NH+](Cc2cccnc2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000426382725 571217408 /nfs/dbraw/zinc/21/74/08/571217408.db2.gz NKHCYLBPQHMSOY-QGZVFWFLSA-N 2 2 368.485 2.358 50 0 FEAALP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000025413260 210173082 /nfs/dbraw/zinc/17/30/82/210173082.db2.gz CBIYNIISAKDDAK-KZNAEPCWSA-N 2 2 359.514 2.265 50 0 FEAALP COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000299787665 210029679 /nfs/dbraw/zinc/02/96/79/210029679.db2.gz YPUXGZHKHRUHAO-INIZCTEOSA-N 2 2 357.458 2.352 50 0 FEAALP COCCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000299787665 210029683 /nfs/dbraw/zinc/02/96/83/210029683.db2.gz YPUXGZHKHRUHAO-INIZCTEOSA-N 2 2 357.458 2.352 50 0 FEAALP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000299770798 210017882 /nfs/dbraw/zinc/01/78/82/210017882.db2.gz RNBZQWFLPGLKKW-GOSISDBHSA-N 2 2 357.458 2.447 50 0 FEAALP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)CCc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000299756242 210008501 /nfs/dbraw/zinc/00/85/01/210008501.db2.gz KKBXPKOXGAZPNU-ROUUACIJSA-N 2 2 358.486 2.336 50 0 FEAALP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)CCc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000299756242 210008503 /nfs/dbraw/zinc/00/85/03/210008503.db2.gz KKBXPKOXGAZPNU-ROUUACIJSA-N 2 2 358.486 2.336 50 0 FEAALP O=c1[nH]c(CC2CC2)nc2c1CC[N@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)C2 ZINC000072151072 541790068 /nfs/dbraw/zinc/79/00/68/541790068.db2.gz KFAFOQKEVIBIHZ-QFBILLFUSA-N 2 2 356.514 2.345 50 0 FEAALP O=c1[nH]c(CC2CC2)nc2c1CC[N@@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)C2 ZINC000072151072 541790071 /nfs/dbraw/zinc/79/00/71/541790071.db2.gz KFAFOQKEVIBIHZ-QFBILLFUSA-N 2 2 356.514 2.345 50 0 FEAALP O=c1[nH]c(CC2CC2)nc2c1CC[NH+](C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000072151072 541790074 /nfs/dbraw/zinc/79/00/74/541790074.db2.gz KFAFOQKEVIBIHZ-QFBILLFUSA-N 2 2 356.514 2.345 50 0 FEAALP O=c1[nH]c(CC2CC2)nc2c1CC[NH+](C[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000072151072 541790077 /nfs/dbraw/zinc/79/00/77/541790077.db2.gz KFAFOQKEVIBIHZ-QFBILLFUSA-N 2 2 356.514 2.345 50 0 FEAALP Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCn3cc[nH+]c3)C2)co1 ZINC000072447199 541814882 /nfs/dbraw/zinc/81/48/82/541814882.db2.gz MVXAGWFXNUSGME-FUHWJXTLSA-N 2 2 357.458 2.083 50 0 FEAALP Cc1nc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCn3cc[nH+]c3)C2)co1 ZINC000072447199 541814885 /nfs/dbraw/zinc/81/48/85/541814885.db2.gz MVXAGWFXNUSGME-FUHWJXTLSA-N 2 2 357.458 2.083 50 0 FEAALP O=C1OC2(CN1CCOc1ccccc1)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC000072458014 541816908 /nfs/dbraw/zinc/81/69/08/541816908.db2.gz OVVQRBAMTCDDFG-KRWDZBQOSA-N 2 2 359.470 2.104 50 0 FEAALP C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000072477052 541819733 /nfs/dbraw/zinc/81/97/33/541819733.db2.gz PQRBRSRQWWQJIN-OAQYLSRUSA-N 3 2 361.530 2.050 50 0 FEAALP C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2OCC[NH+]2CCCCC2)C1 ZINC000072477052 541819735 /nfs/dbraw/zinc/81/97/35/541819735.db2.gz PQRBRSRQWWQJIN-OAQYLSRUSA-N 3 2 361.530 2.050 50 0 FEAALP COc1cccc2c1OCC(C[NH+]1CCN([C@@H]3C[NH+]4CCC3CC4)CC1)=C2 ZINC000065381443 221207210 /nfs/dbraw/zinc/20/72/10/221207210.db2.gz MYVRXHRGZJKCTA-HXUWFJFHSA-N 2 2 369.509 2.183 50 0 FEAALP C[C@H](CCNc1nc(-c2ccncc2)nc2c1CC[NH2+]CC2)n1cc[nH+]c1 ZINC000065408688 221216357 /nfs/dbraw/zinc/21/63/57/221216357.db2.gz DVCDMAKGKWPFFN-OAHLLOKOSA-N 2 2 363.469 2.487 50 0 FEAALP Cn1c(C(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)cc2ccccc21 ZINC000067954372 221307477 /nfs/dbraw/zinc/30/74/77/221307477.db2.gz QBMDQVWLWRAZNI-UHFFFAOYSA-N 2 2 354.498 2.420 50 0 FEAALP Cn1c(C(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)cc2ccccc21 ZINC000067954372 221307478 /nfs/dbraw/zinc/30/74/78/221307478.db2.gz QBMDQVWLWRAZNI-UHFFFAOYSA-N 2 2 354.498 2.420 50 0 FEAALP Cc1c(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cnn1C ZINC000071759875 221367218 /nfs/dbraw/zinc/36/72/18/221367218.db2.gz YEELDAIZOBRHHG-SFHVURJKSA-N 2 2 373.545 2.027 50 0 FEAALP Cc1c(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cnn1C ZINC000071759875 221367219 /nfs/dbraw/zinc/36/72/19/221367219.db2.gz YEELDAIZOBRHHG-SFHVURJKSA-N 2 2 373.545 2.027 50 0 FEAALP Cc1ccc[nH+]c1N1CCN(C(=O)[C@@H](c2cccnc2)[NH+]2CCCC2)CC1 ZINC000082160591 132197591 /nfs/dbraw/zinc/19/75/91/132197591.db2.gz WAZUTAFCSUDNNY-LJQANCHMSA-N 2 2 365.481 2.271 50 0 FEAALP CC(C)C[N@@H+]1CCc2nc[nH]c2C12CCN(c1nc(N(C)C)cc[nH+]1)CC2 ZINC000091586577 132202517 /nfs/dbraw/zinc/20/25/17/132202517.db2.gz FVTNVCIHBIAGMG-UHFFFAOYSA-N 2 2 369.517 2.276 50 0 FEAALP CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(c1nc(N(C)C)cc[nH+]1)CC2 ZINC000091586577 132202518 /nfs/dbraw/zinc/20/25/18/132202518.db2.gz FVTNVCIHBIAGMG-UHFFFAOYSA-N 2 2 369.517 2.276 50 0 FEAALP CCc1cc(N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)nc(C)[nH+]1 ZINC000091724749 132203459 /nfs/dbraw/zinc/20/34/59/132203459.db2.gz VKXXIKCVWVCLHZ-GOSISDBHSA-N 2 2 371.529 2.261 50 0 FEAALP CCc1cc(N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)nc(C)[nH+]1 ZINC000091724749 132203460 /nfs/dbraw/zinc/20/34/60/132203460.db2.gz VKXXIKCVWVCLHZ-GOSISDBHSA-N 2 2 371.529 2.261 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2ccc(C(=O)[O-])c[nH+]2)C1 ZINC000095391917 132210861 /nfs/dbraw/zinc/21/08/61/132210861.db2.gz HTVCECAWYGQIQE-INIZCTEOSA-N 2 2 357.458 2.312 50 0 FEAALP COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1 ZINC000091769025 542824699 /nfs/dbraw/zinc/82/46/99/542824699.db2.gz RPSZMEKSTDMLHV-KRWDZBQOSA-N 2 2 366.469 2.448 50 0 FEAALP COc1cccc(C[N@H+]2CCC[C@H](c3nnc(Cn4cc[nH+]c4)n3C)C2)c1 ZINC000091769025 542824703 /nfs/dbraw/zinc/82/47/03/542824703.db2.gz RPSZMEKSTDMLHV-KRWDZBQOSA-N 2 2 366.469 2.448 50 0 FEAALP Cc1ccc([C@H](C(=O)NCC2([NH+]3CCN(C)CC3)CCCC2)[NH+](C)C)cc1 ZINC000092065828 542842689 /nfs/dbraw/zinc/84/26/89/542842689.db2.gz FAZSZXTZMKZDLV-HXUWFJFHSA-N 2 2 372.557 2.274 50 0 FEAALP Cc1ccc([C@H](C(=O)NCC2(N3CC[NH+](C)CC3)CCCC2)[NH+](C)C)cc1 ZINC000092065828 542842694 /nfs/dbraw/zinc/84/26/94/542842694.db2.gz FAZSZXTZMKZDLV-HXUWFJFHSA-N 2 2 372.557 2.274 50 0 FEAALP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000034668668 136117969 /nfs/dbraw/zinc/11/79/69/136117969.db2.gz FHNKTRZSBGSJOQ-MRXNPFEDSA-N 2 2 364.921 2.015 50 0 FEAALP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@H+](Cc3nccs3)C2)n1C ZINC000095370527 542963052 /nfs/dbraw/zinc/96/30/52/542963052.db2.gz IUDIBCLLXKVIDW-CQSZACIVSA-N 2 2 357.487 2.204 50 0 FEAALP Cc1[nH+]ccn1Cc1nnc([C@@H]2CCC[N@@H+](Cc3nccs3)C2)n1C ZINC000095370527 542963054 /nfs/dbraw/zinc/96/30/54/542963054.db2.gz IUDIBCLLXKVIDW-CQSZACIVSA-N 2 2 357.487 2.204 50 0 FEAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1 ZINC000095528105 542981577 /nfs/dbraw/zinc/98/15/77/542981577.db2.gz BVXZENGQHGZNDO-SFHVURJKSA-N 2 2 374.460 2.023 50 0 FEAALP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N[C@@H]1CCOc2ccccc21 ZINC000171644878 327151237 /nfs/dbraw/zinc/15/12/37/327151237.db2.gz ASVUNIVSSXAIDK-SJLPKXTDSA-N 2 2 366.465 2.455 50 0 FEAALP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N[C@@H]1CCOc2ccccc21 ZINC000171644878 327151238 /nfs/dbraw/zinc/15/12/38/327151238.db2.gz ASVUNIVSSXAIDK-SJLPKXTDSA-N 2 2 366.465 2.455 50 0 FEAALP C[N@H+]1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc32)[C@@H](C[NH3+])C1 ZINC000170677296 546169994 /nfs/dbraw/zinc/16/99/94/546169994.db2.gz HJOYPFPHHFQCIF-AWEZNQCLSA-N 2 2 350.422 2.210 50 0 FEAALP C[C@H](O)c1cc2n(n1)CC[N@H+](Cc1ccccc1OCCn1cc[nH+]c1)C2 ZINC000221344304 548705317 /nfs/dbraw/zinc/70/53/17/548705317.db2.gz XKHMOGILKZFFGX-INIZCTEOSA-N 2 2 367.453 2.228 50 0 FEAALP C[C@H](O)c1cc2n(n1)CC[N@@H+](Cc1ccccc1OCCn1cc[nH+]c1)C2 ZINC000221344304 548705320 /nfs/dbraw/zinc/70/53/20/548705320.db2.gz XKHMOGILKZFFGX-INIZCTEOSA-N 2 2 367.453 2.228 50 0 FEAALP C[N@H+](Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1)Cc1ccc2nsnc2c1 ZINC000252519058 549673261 /nfs/dbraw/zinc/67/32/61/549673261.db2.gz AVMDCOHISGNBAT-JOCQHMNTSA-N 2 2 369.498 2.454 50 0 FEAALP C[N@@H+](Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1)Cc1ccc2nsnc2c1 ZINC000252519058 549673264 /nfs/dbraw/zinc/67/32/64/549673264.db2.gz AVMDCOHISGNBAT-JOCQHMNTSA-N 2 2 369.498 2.454 50 0 FEAALP CCCc1c[nH+]c(C)nc1N[C@@H]1CC[N@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299799248 553616512 /nfs/dbraw/zinc/61/65/12/553616512.db2.gz QGRMZRCDUHQAET-QZTJIDSGSA-N 2 2 359.474 2.390 50 0 FEAALP CCCc1c[nH+]c(C)nc1N[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C[C@H]1O ZINC000299799248 553616514 /nfs/dbraw/zinc/61/65/14/553616514.db2.gz QGRMZRCDUHQAET-QZTJIDSGSA-N 2 2 359.474 2.390 50 0 FEAALP Cc1cccc(C[NH+]2CCN(c3cc([C@@H]4CCOC4)[nH+]c(N)n3)CC2)c1 ZINC000426509521 559736457 /nfs/dbraw/zinc/73/64/57/559736457.db2.gz RNDTZXAYMOUYMS-QGZVFWFLSA-N 2 2 353.470 2.193 50 0 FEAALP C[N@@H+]1CC[C@](C)(CNC(=O)N(CCCn2cc[nH+]c2)Cc2ccncc2)C1 ZINC000426621647 559739173 /nfs/dbraw/zinc/73/91/73/559739173.db2.gz LXYZNKYVQAAHNI-HXUWFJFHSA-N 2 2 370.501 2.222 50 0 FEAALP C[N@H+]1CC[C@](C)(CNC(=O)N(CCCn2cc[nH+]c2)Cc2ccncc2)C1 ZINC000426621647 559739174 /nfs/dbraw/zinc/73/91/74/559739174.db2.gz LXYZNKYVQAAHNI-HXUWFJFHSA-N 2 2 370.501 2.222 50 0 FEAALP C[C@@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000222088919 568495845 /nfs/dbraw/zinc/49/58/45/568495845.db2.gz NTKVWQNMNACXGL-DYESRHJHSA-N 2 2 370.541 2.107 50 0 FEAALP C[C@@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000222088919 568495846 /nfs/dbraw/zinc/49/58/46/568495846.db2.gz NTKVWQNMNACXGL-DYESRHJHSA-N 2 2 370.541 2.107 50 0 FEAALP CCc1ccc(CN(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000584900548 571316148 /nfs/dbraw/zinc/31/61/48/571316148.db2.gz CQRWZVAQNHPTLW-UHFFFAOYSA-N 2 2 373.545 2.344 50 0 FEAALP COC(=O)CC[C@H]1C[N@H+](Cc2ccc(O)c(OC)c2)CC[C@H]1[NH+](C)C ZINC000011784165 539535221 /nfs/dbraw/zinc/53/52/21/539535221.db2.gz FRAJNVOPJOBCMK-JKSUJKDBSA-N 2 2 350.459 2.106 50 0 FEAALP COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(O)c(OC)c2)CC[C@H]1[NH+](C)C ZINC000011784165 539535226 /nfs/dbraw/zinc/53/52/26/539535226.db2.gz FRAJNVOPJOBCMK-JKSUJKDBSA-N 2 2 350.459 2.106 50 0 FEAALP CCC[C@@H](NC(=O)c1ccc(NC(=O)C[NH+](C)C)cc1)c1[nH+]ccn1C ZINC000299758467 210010496 /nfs/dbraw/zinc/01/04/96/210010496.db2.gz NHTZGTCHYUZRBM-MRXNPFEDSA-N 2 2 357.458 2.191 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2cccc(C)c2)C3)CC1 ZINC000015779419 539623632 /nfs/dbraw/zinc/62/36/32/539623632.db2.gz LRGUYUGVVRZWGX-UHFFFAOYSA-N 2 2 351.498 2.485 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2cccc(C)c2)C3)CC1 ZINC000015779419 539623636 /nfs/dbraw/zinc/62/36/36/539623636.db2.gz LRGUYUGVVRZWGX-UHFFFAOYSA-N 2 2 351.498 2.485 50 0 FEAALP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000025413253 539759927 /nfs/dbraw/zinc/75/99/27/539759927.db2.gz CBIYNIISAKDDAK-KURKYZTESA-N 2 2 359.514 2.265 50 0 FEAALP CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058208963 540833590 /nfs/dbraw/zinc/83/35/90/540833590.db2.gz LIGHVNDXCUCKEQ-QKLQHJQFSA-N 2 2 374.529 2.432 50 0 FEAALP CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000058208963 540833592 /nfs/dbraw/zinc/83/35/92/540833592.db2.gz LIGHVNDXCUCKEQ-QKLQHJQFSA-N 2 2 374.529 2.432 50 0 FEAALP CCCn1cc[nH+]c1CNC(=O)[C@@H]1CC2(C[N@@H+]1CCC)CC[NH+](C)CC2 ZINC000072480234 541821391 /nfs/dbraw/zinc/82/13/91/541821391.db2.gz NETCKOIELTWOHE-KRWDZBQOSA-N 3 2 361.534 2.106 50 0 FEAALP CCCn1cc[nH+]c1CNC(=O)[C@@H]1CC2(C[N@H+]1CCC)CC[NH+](C)CC2 ZINC000072480234 541821395 /nfs/dbraw/zinc/82/13/95/541821395.db2.gz NETCKOIELTWOHE-KRWDZBQOSA-N 3 2 361.534 2.106 50 0 FEAALP CCOCc1nc2c(c(NCc3c[nH+]cn3CC(C)C)n1)CC[NH2+]CC2 ZINC000072475329 541819520 /nfs/dbraw/zinc/81/95/20/541819520.db2.gz JILBFECLYWDYOV-UHFFFAOYSA-N 2 2 358.490 2.166 50 0 FEAALP CC[NH+]1CCN(CC(=O)NCc2ccc[nH+]c2N(C)C2CCCCC2)CC1 ZINC000023360302 211383554 /nfs/dbraw/zinc/38/35/54/211383554.db2.gz HTYZJJURZWASJX-UHFFFAOYSA-N 2 2 373.545 2.104 50 0 FEAALP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000015769633 211141457 /nfs/dbraw/zinc/14/14/57/211141457.db2.gz QUZUBQHNYGKRSN-UHFFFAOYSA-N 2 2 370.453 2.355 50 0 FEAALP C[NH+]1CCC2(CC1)CN(Cc1ccnn1-c1ccccc1)CCC[N@@H+]2C ZINC000067654684 221266707 /nfs/dbraw/zinc/26/67/07/221266707.db2.gz LNPSQTDTXYDZND-UHFFFAOYSA-N 2 2 353.514 2.474 50 0 FEAALP C[NH+]1CCC2(CC1)CN(Cc1ccnn1-c1ccccc1)CCC[N@H+]2C ZINC000067654684 221266712 /nfs/dbraw/zinc/26/67/12/221266712.db2.gz LNPSQTDTXYDZND-UHFFFAOYSA-N 2 2 353.514 2.474 50 0 FEAALP Cc1ccccc1[C@@H](C(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1)[NH+](C)C ZINC000067947728 221307527 /nfs/dbraw/zinc/30/75/27/221307527.db2.gz FXDJXMSBVAJQHM-FQEVSTJZSA-N 3 2 372.557 2.226 50 0 FEAALP Cc1ccccc1[C@@H](C(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1)[NH+](C)C ZINC000067947728 221307528 /nfs/dbraw/zinc/30/75/28/221307528.db2.gz FXDJXMSBVAJQHM-FQEVSTJZSA-N 3 2 372.557 2.226 50 0 FEAALP Cc1ccccc1[C@@H](C(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1)[NH+](C)C ZINC000067947728 221307529 /nfs/dbraw/zinc/30/75/29/221307529.db2.gz FXDJXMSBVAJQHM-FQEVSTJZSA-N 2 2 372.557 2.226 50 0 FEAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CC=CC1 ZINC000071754744 221365746 /nfs/dbraw/zinc/36/57/46/221365746.db2.gz XYSBTFZJUPGFBK-IBGZPJMESA-N 2 2 354.498 2.156 50 0 FEAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1)N1CC=CC1 ZINC000071754744 221365748 /nfs/dbraw/zinc/36/57/48/221365748.db2.gz XYSBTFZJUPGFBK-IBGZPJMESA-N 2 2 354.498 2.156 50 0 FEAALP Cc1cc(C)c2c(ncnc2N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000095386100 132210095 /nfs/dbraw/zinc/21/00/95/132210095.db2.gz VYXRUCQEYHOWHK-KRWDZBQOSA-N 2 2 354.502 2.105 50 0 FEAALP Cc1cc(C)c2c(ncnc2N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000095386100 132210096 /nfs/dbraw/zinc/21/00/96/132210096.db2.gz VYXRUCQEYHOWHK-KRWDZBQOSA-N 2 2 354.502 2.105 50 0 FEAALP Cn1c(C[NH+]2CCCCCC2)nnc1C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000091736627 542822177 /nfs/dbraw/zinc/82/21/77/542822177.db2.gz RNUPFHPNMLTIDE-UHFFFAOYSA-N 3 2 360.550 2.123 50 0 FEAALP C[NH+](C)CCCC(=O)N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000095509114 542977243 /nfs/dbraw/zinc/97/72/43/542977243.db2.gz BOZCCRKCNVXTTA-UHFFFAOYSA-N 2 2 355.486 2.374 50 0 FEAALP Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095526342 542981273 /nfs/dbraw/zinc/98/12/73/542981273.db2.gz IJMYXIAXVVPZOQ-GOSISDBHSA-N 3 2 372.517 2.136 50 0 FEAALP C[C@@H](C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)n1cc[nH+]c1 ZINC000091364729 524204825 /nfs/dbraw/zinc/20/48/25/524204825.db2.gz XGNCBWIDKVPWLF-HNNXBMFYSA-N 2 2 356.474 2.105 50 0 FEAALP C[C@@H](C(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)n1cc[nH+]c1 ZINC000091364729 524204837 /nfs/dbraw/zinc/20/48/37/524204837.db2.gz XGNCBWIDKVPWLF-HNNXBMFYSA-N 2 2 356.474 2.105 50 0 FEAALP Cc1cccc(OC[C@H]2CCCN(C(=O)C[N@@H+](C)C3CC[NH2+]CC3)C2)c1 ZINC000082146305 524765491 /nfs/dbraw/zinc/76/54/91/524765491.db2.gz AZENEJXMQAECKA-SFHVURJKSA-N 2 2 359.514 2.296 50 0 FEAALP Cc1cccc(OC[C@H]2CCCN(C(=O)C[N@H+](C)C3CC[NH2+]CC3)C2)c1 ZINC000082146305 524765493 /nfs/dbraw/zinc/76/54/93/524765493.db2.gz AZENEJXMQAECKA-SFHVURJKSA-N 2 2 359.514 2.296 50 0 FEAALP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000020102822 526316865 /nfs/dbraw/zinc/31/68/65/526316865.db2.gz SJYNFRSAZZMONH-UHFFFAOYSA-N 2 2 365.905 2.000 50 0 FEAALP CCCc1cc(N2CC[NH2+][C@@H](C(=O)Nc3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC000072131983 535398950 /nfs/dbraw/zinc/39/89/50/535398950.db2.gz TZOPVHROWVICQS-QGZVFWFLSA-N 2 2 357.433 2.294 50 0 FEAALP CCc1c(C)[nH+]c(C)nc1N1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC)CC2 ZINC000091964855 536069355 /nfs/dbraw/zinc/06/93/55/536069355.db2.gz PCIKKHFUMGGWNH-FQEVSTJZSA-N 2 2 359.518 2.179 50 0 FEAALP CCc1c(C)[nH+]c(C)nc1N1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC)CC2 ZINC000091964855 536069361 /nfs/dbraw/zinc/06/93/61/536069361.db2.gz PCIKKHFUMGGWNH-FQEVSTJZSA-N 2 2 359.518 2.179 50 0 FEAALP O=C1C[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)CN1CC[NH+]1CCOCC1 ZINC000172697153 546265187 /nfs/dbraw/zinc/26/51/87/546265187.db2.gz QMTSHSXJXZVLRZ-CQSZACIVSA-N 2 2 372.296 2.016 50 0 FEAALP COc1ccc(C[NH+]2CCC(c3[nH+]ccn3C)CC2)cc1Cn1cncn1 ZINC000215034737 548668792 /nfs/dbraw/zinc/66/87/92/548668792.db2.gz LZHOILNCLBSGSG-UHFFFAOYSA-N 2 2 366.469 2.448 50 0 FEAALP C[N@@H+]1CCN(C(=O)C[NH+]2CCOc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000215748287 548673438 /nfs/dbraw/zinc/67/34/38/548673438.db2.gz IBEUVRPPMOFTAP-FQEVSTJZSA-N 2 2 365.477 2.396 50 0 FEAALP C[N@H+]1CCN(C(=O)C[NH+]2CCOc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000215748287 548673442 /nfs/dbraw/zinc/67/34/42/548673442.db2.gz IBEUVRPPMOFTAP-FQEVSTJZSA-N 2 2 365.477 2.396 50 0 FEAALP C[NH+]1CCN(C(=O)C[N@@H+]2CCOc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000215748287 548673446 /nfs/dbraw/zinc/67/34/46/548673446.db2.gz IBEUVRPPMOFTAP-FQEVSTJZSA-N 2 2 365.477 2.396 50 0 FEAALP C[NH+]1CCN(C(=O)C[N@H+]2CCOc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000215748287 548673451 /nfs/dbraw/zinc/67/34/51/548673451.db2.gz IBEUVRPPMOFTAP-FQEVSTJZSA-N 2 2 365.477 2.396 50 0 FEAALP O=C(C[C@@H]1C[NH2+]CCO1)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000215768976 548674573 /nfs/dbraw/zinc/67/45/73/548674573.db2.gz CSTYVTPJOARKSH-UYSNPLJNSA-N 2 2 356.470 2.331 50 0 FEAALP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000219570338 548694815 /nfs/dbraw/zinc/69/48/15/548694815.db2.gz IOTGFJNCRZYABX-IBGZPJMESA-N 2 2 356.470 2.200 50 0 FEAALP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000219570338 548694820 /nfs/dbraw/zinc/69/48/20/548694820.db2.gz IOTGFJNCRZYABX-IBGZPJMESA-N 2 2 356.470 2.200 50 0 FEAALP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000240444274 548884872 /nfs/dbraw/zinc/88/48/72/548884872.db2.gz FXDLRNUUKUJOAD-XLIONFOSSA-N 2 2 357.498 2.218 50 0 FEAALP CCC[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000011768913 539535269 /nfs/dbraw/zinc/53/52/69/539535269.db2.gz FZWUSEVQZNHELB-IBGZPJMESA-N 3 2 364.578 2.173 50 0 FEAALP CCC[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000011768913 539535273 /nfs/dbraw/zinc/53/52/73/539535273.db2.gz FZWUSEVQZNHELB-IBGZPJMESA-N 3 2 364.578 2.173 50 0 FEAALP CC[C@@H](C(=O)N(CCc1ccccc1)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000072407176 541805690 /nfs/dbraw/zinc/80/56/90/541805690.db2.gz HMPXTULPPNNOSW-NRFANRHFSA-N 2 2 373.541 2.263 50 0 FEAALP c1ccc(-n2c(CC3CC[NH2+]CC3)nnc2C[N@@H+]2CCCOCC2)cc1 ZINC000055393359 211947718 /nfs/dbraw/zinc/94/77/18/211947718.db2.gz UQOXMVZFEVZBQY-UHFFFAOYSA-N 2 2 355.486 2.032 50 0 FEAALP c1ccc(-n2c(CC3CC[NH2+]CC3)nnc2C[N@H+]2CCCOCC2)cc1 ZINC000055393359 211947722 /nfs/dbraw/zinc/94/77/22/211947722.db2.gz UQOXMVZFEVZBQY-UHFFFAOYSA-N 2 2 355.486 2.032 50 0 FEAALP Cn1ccc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000019654498 211243386 /nfs/dbraw/zinc/24/33/86/211243386.db2.gz HEKDVWZYPWMLTI-AWEZNQCLSA-N 2 2 352.442 2.190 50 0 FEAALP Cn1ccc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)n1 ZINC000019654498 211243391 /nfs/dbraw/zinc/24/33/91/211243391.db2.gz HEKDVWZYPWMLTI-AWEZNQCLSA-N 2 2 352.442 2.190 50 0 FEAALP Cn1c2ccccc2nc1C[NH+]1CCC(c2nnc(C[NH+](C)C)n2C)CC1 ZINC000077406477 542378436 /nfs/dbraw/zinc/37/84/36/542378436.db2.gz ZBFQVKXPBNJSJN-UHFFFAOYSA-N 2 2 367.501 2.143 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2ccc(F)cc2)[nH+]cn1 ZINC000067603586 221260439 /nfs/dbraw/zinc/26/04/39/221260439.db2.gz LWGNXGRZQBBNNX-UHFFFAOYSA-N 2 2 355.377 2.343 50 0 FEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccccc3F)CC2)[nH+]cn1 ZINC000067604233 221261851 /nfs/dbraw/zinc/26/18/51/221261851.db2.gz GWIGORBJTGUORP-UHFFFAOYSA-N 2 2 366.400 2.072 50 0 FEAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000067727347 221278128 /nfs/dbraw/zinc/27/81/28/221278128.db2.gz AKLIVWJHGOPUHH-KRWDZBQOSA-N 2 2 365.543 2.187 50 0 FEAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000067727347 221278131 /nfs/dbraw/zinc/27/81/31/221278131.db2.gz AKLIVWJHGOPUHH-KRWDZBQOSA-N 2 2 365.543 2.187 50 0 FEAALP O=C(Cc1cn2ccccc2[nH+]1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000071821260 221380326 /nfs/dbraw/zinc/38/03/26/221380326.db2.gz YUXOXVGUDJBMHS-UHFFFAOYSA-N 2 2 364.449 2.025 50 0 FEAALP C[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000077285304 132179313 /nfs/dbraw/zinc/17/93/13/132179313.db2.gz VPSBPTIEIXXOPG-QGZVFWFLSA-N 2 2 353.470 2.181 50 0 FEAALP CNc1cc(C)[nH+]c(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095354202 132207230 /nfs/dbraw/zinc/20/72/30/132207230.db2.gz WWNVBGBBPRQUEA-INIZCTEOSA-N 3 2 357.506 2.359 50 0 FEAALP C[N@@H+]1CCN(Cc2c[nH+]cn2C2CCCCC2)C[C@]12CCNC(=O)CC2 ZINC000091663537 542818574 /nfs/dbraw/zinc/81/85/74/542818574.db2.gz SJEGOGYTZALNHW-FQEVSTJZSA-N 2 2 359.518 2.175 50 0 FEAALP C[N@H+]1CCN(Cc2c[nH+]cn2C2CCCCC2)C[C@]12CCNC(=O)CC2 ZINC000091663537 542818580 /nfs/dbraw/zinc/81/85/80/542818580.db2.gz SJEGOGYTZALNHW-FQEVSTJZSA-N 2 2 359.518 2.175 50 0 FEAALP COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000095498822 542973976 /nfs/dbraw/zinc/97/39/76/542973976.db2.gz ZNJYTBKOADTAMS-QGZVFWFLSA-N 2 2 370.497 2.374 50 0 FEAALP COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000095498822 542973979 /nfs/dbraw/zinc/97/39/79/542973979.db2.gz ZNJYTBKOADTAMS-QGZVFWFLSA-N 2 2 370.497 2.374 50 0 FEAALP C[C@H](C(=O)NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)n1cc[nH+]c1 ZINC000091364730 526077385 /nfs/dbraw/zinc/07/73/85/526077385.db2.gz XGNCBWIDKVPWLF-OAHLLOKOSA-N 2 2 356.474 2.105 50 0 FEAALP C[C@H](C(=O)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2)n1cc[nH+]c1 ZINC000091364730 526077392 /nfs/dbraw/zinc/07/73/92/526077392.db2.gz XGNCBWIDKVPWLF-OAHLLOKOSA-N 2 2 356.474 2.105 50 0 FEAALP COc1cc2c(cc1OC)C[N@@H+](C1CC[NH+](CCn3cccn3)CC1)CC2 ZINC000426544939 559737364 /nfs/dbraw/zinc/73/73/64/559737364.db2.gz FQKXLAFGVPVGIO-UHFFFAOYSA-N 2 2 370.497 2.423 50 0 FEAALP COc1cc2c(cc1OC)C[N@H+](C1CC[NH+](CCn3cccn3)CC1)CC2 ZINC000426544939 559737365 /nfs/dbraw/zinc/73/73/65/559737365.db2.gz FQKXLAFGVPVGIO-UHFFFAOYSA-N 2 2 370.497 2.423 50 0 FEAALP COc1cccc(C[NH+]2CCN(C(=O)NC[C@@H](C)[NH+]3CCCC3)CC2)c1 ZINC000534589531 562537503 /nfs/dbraw/zinc/53/75/03/562537503.db2.gz YZFXGMAGMBADJS-QGZVFWFLSA-N 2 2 360.502 2.007 50 0 FEAALP Cc1cc(C)c(C[N@H+](C)Cc2cnccn2)cc1CN1CC[NH+](C)CC1 ZINC000216060185 568103176 /nfs/dbraw/zinc/10/31/76/568103176.db2.gz DOEAGCOFXDNFDC-UHFFFAOYSA-N 2 2 353.514 2.473 50 0 FEAALP Cc1cc(C)c(C[N@@H+](C)Cc2cnccn2)cc1CN1CC[NH+](C)CC1 ZINC000216060185 568103177 /nfs/dbraw/zinc/10/31/77/568103177.db2.gz DOEAGCOFXDNFDC-UHFFFAOYSA-N 2 2 353.514 2.473 50 0 FEAALP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@H+](C)Cc1cnccn1 ZINC000216060185 568103178 /nfs/dbraw/zinc/10/31/78/568103178.db2.gz DOEAGCOFXDNFDC-UHFFFAOYSA-N 2 2 353.514 2.473 50 0 FEAALP Cc1cc(C)c(C[NH+]2CCN(C)CC2)cc1C[N@@H+](C)Cc1cnccn1 ZINC000216060185 568103179 /nfs/dbraw/zinc/10/31/79/568103179.db2.gz DOEAGCOFXDNFDC-UHFFFAOYSA-N 2 2 353.514 2.473 50 0 FEAALP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000584888615 571314280 /nfs/dbraw/zinc/31/42/80/571314280.db2.gz PULLFJDBEBOPKU-SFHVURJKSA-N 2 2 374.529 2.340 50 0 FEAALP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000584888615 571314281 /nfs/dbraw/zinc/31/42/81/571314281.db2.gz PULLFJDBEBOPKU-SFHVURJKSA-N 2 2 374.529 2.340 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C2)c(C)c1 ZINC000023340417 670047466 /nfs/dbraw/zinc/04/74/66/670047466.db2.gz YWTNIRFIQGSDNK-SFHVURJKSA-N 2 2 367.559 2.340 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CCC[C@H]([N@H+](C)CCC[NH+](C)C)C2)c(C)c1 ZINC000023340417 670047469 /nfs/dbraw/zinc/04/74/69/670047469.db2.gz YWTNIRFIQGSDNK-SFHVURJKSA-N 2 2 367.559 2.340 50 0 FEAALP CC1(C)C=C(N2CC[NH+](C3=CC(C)(C)[NH2+]C(C)(C)C3)CC2)CC(C)(C)[NH2+]1 ZINC000053621488 540546188 /nfs/dbraw/zinc/54/61/88/540546188.db2.gz RZPLTVYMCOCISZ-UHFFFAOYSA-N 3 2 360.590 2.417 50 0 FEAALP CC(C)c1ccc(CN2CCC[C@@](O)(C[NH2+]CCc3[nH]cc[nH+]3)C2=O)cc1 ZINC000067540362 541477256 /nfs/dbraw/zinc/47/72/56/541477256.db2.gz KJCJDIMRKYMUJH-OAQYLSRUSA-N 2 2 370.497 2.219 50 0 FEAALP Nc1cc[nH+]c(N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072146402 541788115 /nfs/dbraw/zinc/78/81/15/541788115.db2.gz HIMNXTJJOHBJEW-CGTJXYLNSA-N 2 2 357.408 2.404 50 0 FEAALP Cc1cccc(-c2ncc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)cn2)c1 ZINC000072145752 541788125 /nfs/dbraw/zinc/78/81/25/541788125.db2.gz VFJBLTHNCOHGKM-TZIWHRDSSA-N 2 2 352.482 2.388 50 0 FEAALP Cc1cccc(-c2ncc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)cn2)c1 ZINC000072145752 541788130 /nfs/dbraw/zinc/78/81/30/541788130.db2.gz VFJBLTHNCOHGKM-TZIWHRDSSA-N 2 2 352.482 2.388 50 0 FEAALP Nc1nc(NCC2=CCCCC2)c2c([nH+]1)CCN([C@H]1CCC[NH2+]C1)CC2 ZINC000072424881 541810123 /nfs/dbraw/zinc/81/01/23/541810123.db2.gz SFBQHXLQBSDTIL-INIZCTEOSA-N 2 2 356.518 2.124 50 0 FEAALP COc1ccccc1NC1=[NH+][C@@H](c2coc3ccccc3c2=O)NC(=[NH2+])N1 ZINC000019329981 211215623 /nfs/dbraw/zinc/21/56/23/211215623.db2.gz QGGRAEYMZKOOQG-KRWDZBQOSA-N 2 2 363.377 2.396 50 0 FEAALP CN(CC[NH+]1CCCC1)C(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067884927 221301871 /nfs/dbraw/zinc/30/18/71/221301871.db2.gz FEOJBJZFGBGRFI-UHFFFAOYSA-N 2 2 356.470 2.474 50 0 FEAALP CN(CC[NH+]1CCCC1)C(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067884927 221301873 /nfs/dbraw/zinc/30/18/73/221301873.db2.gz FEOJBJZFGBGRFI-UHFFFAOYSA-N 2 2 356.470 2.474 50 0 FEAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000071681766 221353516 /nfs/dbraw/zinc/35/35/16/221353516.db2.gz OGBWEOUBCYTDMN-GOSISDBHSA-N 2 2 356.514 2.380 50 0 FEAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1)N1CCCC1 ZINC000071681766 221353518 /nfs/dbraw/zinc/35/35/18/221353518.db2.gz OGBWEOUBCYTDMN-GOSISDBHSA-N 2 2 356.514 2.380 50 0 FEAALP CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000091664067 132203109 /nfs/dbraw/zinc/20/31/09/132203109.db2.gz GFXBFZUNFPFBCY-UHFFFAOYSA-N 2 2 366.473 2.334 50 0 FEAALP CNc1cc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)nc(N)[nH+]1 ZINC000095528339 132215078 /nfs/dbraw/zinc/21/50/78/132215078.db2.gz FWKZMUDZZNNUCT-UHFFFAOYSA-N 2 2 364.457 2.124 50 0 FEAALP CCCc1cc(N2CCC([NH2+][C@H]3COC[C@@H]3N3CCCC3)CC2)nc(C)[nH+]1 ZINC000096137571 132220156 /nfs/dbraw/zinc/22/01/56/132220156.db2.gz QPZRRXSQTCXHMD-PMACEKPBSA-N 2 2 373.545 2.159 50 0 FEAALP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000089573860 542764620 /nfs/dbraw/zinc/76/46/20/542764620.db2.gz UKBVRZMVHKMLKK-AZCLRUCKSA-N 2 2 374.504 2.396 50 0 FEAALP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000089573860 542764623 /nfs/dbraw/zinc/76/46/23/542764623.db2.gz UKBVRZMVHKMLKK-AZCLRUCKSA-N 2 2 374.504 2.396 50 0 FEAALP CC(C)n1cc[nH+]c1CN1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095379685 542964755 /nfs/dbraw/zinc/96/47/55/542964755.db2.gz YSTRASOCCHCGBD-NRFANRHFSA-N 2 2 373.545 2.373 50 0 FEAALP CC(C)n1cc[nH+]c1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000095379685 542964758 /nfs/dbraw/zinc/96/47/58/542964758.db2.gz YSTRASOCCHCGBD-NRFANRHFSA-N 2 2 373.545 2.373 50 0 FEAALP NC(=O)Cn1cc[nH+]c1C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000095499937 542974320 /nfs/dbraw/zinc/97/43/20/542974320.db2.gz KHEJFHWMYRKKLW-UHFFFAOYSA-N 2 2 364.396 2.349 50 0 FEAALP COCCN(Cc1ccccc1C)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000097819513 222214556 /nfs/dbraw/zinc/21/45/56/222214556.db2.gz FETNVNUYFWRNRF-FQEVSTJZSA-N 2 2 359.514 2.186 50 0 FEAALP COCCN(Cc1ccccc1C)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000097819513 222214561 /nfs/dbraw/zinc/21/45/61/222214561.db2.gz FETNVNUYFWRNRF-FQEVSTJZSA-N 2 2 359.514 2.186 50 0 FEAALP C[NH+]1CCC(N2CC[N@H+](Cc3nc4ccccc4s3)C[C@H]2CCO)CC1 ZINC000104533234 222360017 /nfs/dbraw/zinc/36/00/17/222360017.db2.gz HVTVBJZHBBNINR-QGZVFWFLSA-N 2 2 374.554 2.259 50 0 FEAALP C[NH+]1CCC(N2CC[N@@H+](Cc3nc4ccccc4s3)C[C@H]2CCO)CC1 ZINC000104533234 222360020 /nfs/dbraw/zinc/36/00/20/222360020.db2.gz HVTVBJZHBBNINR-QGZVFWFLSA-N 2 2 374.554 2.259 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000071714670 536019452 /nfs/dbraw/zinc/01/94/52/536019452.db2.gz DSQZDCDLGUYTTC-UHFFFAOYSA-N 2 2 371.529 2.307 50 0 FEAALP CN(C)C(=O)N1CC[NH+](Cc2ccccc2OCCCn2cc[nH+]c2)CC1 ZINC000215637595 548672874 /nfs/dbraw/zinc/67/28/74/548672874.db2.gz ILIIIJVNYJDYJG-UHFFFAOYSA-N 2 2 371.485 2.151 50 0 FEAALP O=C(NC1(C[NH+]2CCOCC2)CCCC1)c1cccc(-c2[nH]cc[nH+]2)c1 ZINC000215606193 548673653 /nfs/dbraw/zinc/67/36/53/548673653.db2.gz LOADYZVRUHDQEJ-UHFFFAOYSA-N 2 2 354.454 2.452 50 0 FEAALP c1cc(CN2CC[NH+](C3CCCC3)CC2)cc(OCC[NH+]2CCOCC2)c1 ZINC000218996927 548691408 /nfs/dbraw/zinc/69/14/08/548691408.db2.gz IIVGIOGYTBBNFB-UHFFFAOYSA-N 2 2 373.541 2.458 50 0 FEAALP COc1ccccc1/C=C/C[N@@H+]1CCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000223622230 548721727 /nfs/dbraw/zinc/72/17/27/548721727.db2.gz JKFQCVJRBLLLSZ-FNQPIQQGSA-N 2 2 356.470 2.016 50 0 FEAALP COc1ccccc1/C=C/C[N@H+]1CCn2nc([C@@H](O)C[NH+](C)C)cc2C1 ZINC000223622230 548721731 /nfs/dbraw/zinc/72/17/31/548721731.db2.gz JKFQCVJRBLLLSZ-FNQPIQQGSA-N 2 2 356.470 2.016 50 0 FEAALP CCc1[nH+]ccn1CC[NH+]1CCC(C(=O)NCc2ccc(OC)cc2)CC1 ZINC000252505530 549670943 /nfs/dbraw/zinc/67/09/43/549670943.db2.gz VSECAQOCGIOJIL-UHFFFAOYSA-N 2 2 370.497 2.483 50 0 FEAALP Cc1[nH]c2c([nH+]1)CCN(C(=O)NC1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000584902805 570511462 /nfs/dbraw/zinc/51/14/62/570511462.db2.gz KHYCMXNUBNXBTG-UHFFFAOYSA-N 2 2 367.497 2.493 50 0 FEAALP Cc1[nH]c2c([nH+]1)CN(C(=O)NC1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000584902805 570511464 /nfs/dbraw/zinc/51/14/64/570511464.db2.gz KHYCMXNUBNXBTG-UHFFFAOYSA-N 2 2 367.497 2.493 50 0 FEAALP CSCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000015073152 670010303 /nfs/dbraw/zinc/01/03/03/670010303.db2.gz WFEODHPFEPWKRX-CQSZACIVSA-N 2 2 351.516 2.431 50 0 FEAALP CSCc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000015073152 670010304 /nfs/dbraw/zinc/01/03/04/670010304.db2.gz WFEODHPFEPWKRX-CQSZACIVSA-N 2 2 351.516 2.431 50 0 FEAALP C[NH+](C)CCNc1nc2n[nH]c(N)c2c2c1C[N@@H+](C1CCCCC1)CC2 ZINC000005207455 539405524 /nfs/dbraw/zinc/40/55/24/539405524.db2.gz FJEWFWIDLDMVFF-UHFFFAOYSA-N 2 2 357.506 2.204 50 0 FEAALP C[NH+](C)CCNc1nc2n[nH]c(N)c2c2c1C[N@H+](C1CCCCC1)CC2 ZINC000005207455 539405526 /nfs/dbraw/zinc/40/55/26/539405526.db2.gz FJEWFWIDLDMVFF-UHFFFAOYSA-N 2 2 357.506 2.204 50 0 FEAALP O=C1CC[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]2N1CCCn1cc[nH+]c1 ZINC000072408895 541806277 /nfs/dbraw/zinc/80/62/77/541806277.db2.gz DNMCIMVSXGSQEG-PKOBYXMFSA-N 2 2 353.470 2.181 50 0 FEAALP O=C1CC[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]2N1CCCn1cc[nH+]c1 ZINC000072408895 541806278 /nfs/dbraw/zinc/80/62/78/541806278.db2.gz DNMCIMVSXGSQEG-PKOBYXMFSA-N 2 2 353.470 2.181 50 0 FEAALP Cc1cccnc1C[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000072420213 541809327 /nfs/dbraw/zinc/80/93/27/541809327.db2.gz QPEQNRDQYIINJX-UHFFFAOYSA-N 2 2 370.472 2.305 50 0 FEAALP Cc1cccnc1C[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000072420213 541809330 /nfs/dbraw/zinc/80/93/30/541809330.db2.gz QPEQNRDQYIINJX-UHFFFAOYSA-N 2 2 370.472 2.305 50 0 FEAALP O=C1NC[C@]2(CCC[N@H+](Cc3ccc(OCCn4cc[nH+]c4)cc3)C2)O1 ZINC000072448455 541815556 /nfs/dbraw/zinc/81/55/56/541815556.db2.gz BGEYEXZJDZVMNH-IBGZPJMESA-N 2 2 356.426 2.037 50 0 FEAALP O=C1NC[C@]2(CCC[N@@H+](Cc3ccc(OCCn4cc[nH+]c4)cc3)C2)O1 ZINC000072448455 541815560 /nfs/dbraw/zinc/81/55/60/541815560.db2.gz BGEYEXZJDZVMNH-IBGZPJMESA-N 2 2 356.426 2.037 50 0 FEAALP Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCn3cc[nH+]c3)C2)on1 ZINC000072477333 541820737 /nfs/dbraw/zinc/82/07/37/541820737.db2.gz LZFNJFVPYVWPRR-FUHWJXTLSA-N 2 2 357.458 2.083 50 0 FEAALP Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCn3cc[nH+]c3)C2)on1 ZINC000072477333 541820740 /nfs/dbraw/zinc/82/07/40/541820740.db2.gz LZFNJFVPYVWPRR-FUHWJXTLSA-N 2 2 357.458 2.083 50 0 FEAALP C[NH+](C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000058307857 212003530 /nfs/dbraw/zinc/00/35/30/212003530.db2.gz QXSICNFVDCBQAD-OAQYLSRUSA-N 2 2 367.493 2.438 50 0 FEAALP CC[C@H]1CN(C(=O)c2ccc(NCCc3c[nH]c[nH+]3)nc2)CC[N@@H+]1C(C)C ZINC000067804900 221288282 /nfs/dbraw/zinc/28/82/82/221288282.db2.gz JSLGTUYJVAFZSW-SFHVURJKSA-N 2 2 370.501 2.404 50 0 FEAALP CC[C@H]1CN(C(=O)c2ccc(NCCc3c[nH]c[nH+]3)nc2)CC[N@H+]1C(C)C ZINC000067804900 221288286 /nfs/dbraw/zinc/28/82/86/221288286.db2.gz JSLGTUYJVAFZSW-SFHVURJKSA-N 2 2 370.501 2.404 50 0 FEAALP CC[C@H]1CN(C(=O)c2ccc(NCCc3c[nH+]c[nH]3)nc2)CC[N@@H+]1C(C)C ZINC000067804900 221288290 /nfs/dbraw/zinc/28/82/90/221288290.db2.gz JSLGTUYJVAFZSW-SFHVURJKSA-N 2 2 370.501 2.404 50 0 FEAALP CC[C@H]1CN(C(=O)c2ccc(NCCc3c[nH+]c[nH]3)nc2)CC[N@H+]1C(C)C ZINC000067804900 221288293 /nfs/dbraw/zinc/28/82/93/221288293.db2.gz JSLGTUYJVAFZSW-SFHVURJKSA-N 2 2 370.501 2.404 50 0 FEAALP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)[nH+]1 ZINC000071753022 221364122 /nfs/dbraw/zinc/36/41/22/221364122.db2.gz YUWZCCMOFBYQDM-KRWDZBQOSA-N 3 2 361.534 2.261 50 0 FEAALP Cc1c[nH]c(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](C(C)C)CC3)C2)[nH+]1 ZINC000071753022 221364126 /nfs/dbraw/zinc/36/41/26/221364126.db2.gz YUWZCCMOFBYQDM-KRWDZBQOSA-N 3 2 361.534 2.261 50 0 FEAALP Cn1cc[nH+]c1C1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000091391447 132201362 /nfs/dbraw/zinc/20/13/62/132201362.db2.gz NQPLYIQYLZSNOD-UHFFFAOYSA-N 2 2 367.497 2.192 50 0 FEAALP Cc1nc(N2CCC(c3nnc(Cn4cc[nH+]c4)n3C)CC2)c(C)c(C)[nH+]1 ZINC000091782280 132203930 /nfs/dbraw/zinc/20/39/30/132203930.db2.gz JBIFDNIKONGLDX-UHFFFAOYSA-N 2 2 366.473 2.159 50 0 FEAALP COc1cccc(N2CC[NH+](C3CC[NH+](C4CCOCC4)CC3)CC2)c1 ZINC000245026563 132291883 /nfs/dbraw/zinc/29/18/83/132291883.db2.gz NAHQQVUXSVZMBO-UHFFFAOYSA-N 2 2 359.514 2.461 50 0 FEAALP CC[NH+]1CCC(CNC(=O)[C@@H](c2ccc(C)cc2)[NH+](C)C)([NH+](C)C)CC1 ZINC000091270157 542803196 /nfs/dbraw/zinc/80/31/96/542803196.db2.gz QWVRLPWCUVTDRC-LJQANCHMSA-N 3 2 360.546 2.130 50 0 FEAALP COc1cc(OC)c(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000091876441 542830390 /nfs/dbraw/zinc/83/03/90/542830390.db2.gz NGWQHZWOWYDYNC-HZPDHXFCSA-N 2 2 368.905 2.493 50 0 FEAALP COc1cc(OC)c(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000091876441 542830393 /nfs/dbraw/zinc/83/03/93/542830393.db2.gz NGWQHZWOWYDYNC-HZPDHXFCSA-N 2 2 368.905 2.493 50 0 FEAALP Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)[C@H](C)n3cc[nH+]c3)CC2)c1 ZINC000052899845 136124579 /nfs/dbraw/zinc/12/45/79/136124579.db2.gz DRRLXINHDYGMJG-MOPGFXCFSA-N 2 2 369.513 2.470 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC[C@]2(CCC(=O)N(CC[NH+](C)C)C2)C1 ZINC000072456898 136148543 /nfs/dbraw/zinc/14/85/43/136148543.db2.gz IGTGDOLLZHYVLF-HXUWFJFHSA-N 2 2 359.518 2.118 50 0 FEAALP NC(=O)Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000095500566 542974598 /nfs/dbraw/zinc/97/45/98/542974598.db2.gz HOMABUCWKUBOAR-CQSZACIVSA-N 2 2 364.396 2.349 50 0 FEAALP NC(=O)Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000095500566 542974601 /nfs/dbraw/zinc/97/46/01/542974601.db2.gz HOMABUCWKUBOAR-CQSZACIVSA-N 2 2 364.396 2.349 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2n[nH]c3c2CCC3)CC1 ZINC000095502441 542975019 /nfs/dbraw/zinc/97/50/19/542975019.db2.gz SGNDJXUAXSJDRA-UHFFFAOYSA-N 2 2 370.501 2.066 50 0 FEAALP O=C(Cn1cc[nH+]c1-c1ccccc1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000095516494 542977871 /nfs/dbraw/zinc/97/78/71/542977871.db2.gz LKUBRRLOPQPKPI-LJQANCHMSA-N 2 2 368.481 2.263 50 0 FEAALP CCCCc1nc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc(C)[nH+]1 ZINC000096011500 542987637 /nfs/dbraw/zinc/98/76/37/542987637.db2.gz AWKDMMZAEVEJGA-UHFFFAOYSA-N 2 2 359.518 2.262 50 0 FEAALP CCCCc1nc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc(C)[nH+]1 ZINC000096011500 542987639 /nfs/dbraw/zinc/98/76/39/542987639.db2.gz AWKDMMZAEVEJGA-UHFFFAOYSA-N 2 2 359.518 2.262 50 0 FEAALP CCCOCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082161331 520253673 /nfs/dbraw/zinc/25/36/73/520253673.db2.gz NOXNMFZMEYJZBZ-SFHVURJKSA-N 2 2 351.535 2.212 50 0 FEAALP CCCOCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082161331 520253682 /nfs/dbraw/zinc/25/36/82/520253682.db2.gz NOXNMFZMEYJZBZ-SFHVURJKSA-N 2 2 351.535 2.212 50 0 FEAALP COc1cccc([C@H]2C[N@@H+](C3CCN(C(=O)C4CCC4)CC3)C[C@@H]2[NH3+])c1 ZINC000091551460 524181961 /nfs/dbraw/zinc/18/19/61/524181961.db2.gz JFDMVTHRRVJKBB-UXHICEINSA-N 2 2 357.498 2.213 50 0 FEAALP COc1cccc([C@H]2C[N@H+](C3CCN(C(=O)C4CCC4)CC3)C[C@@H]2[NH3+])c1 ZINC000091551460 524181970 /nfs/dbraw/zinc/18/19/70/524181970.db2.gz JFDMVTHRRVJKBB-UXHICEINSA-N 2 2 357.498 2.213 50 0 FEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000082127624 535981126 /nfs/dbraw/zinc/98/11/26/535981126.db2.gz XUBQYQXMDLSJRO-UHFFFAOYSA-N 2 2 355.490 2.376 50 0 FEAALP Cc1noc([C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2CO)n1 ZINC000253402021 549686851 /nfs/dbraw/zinc/68/68/51/549686851.db2.gz FYLWAPNFFZQPRX-PKOBYXMFSA-N 2 2 356.470 2.050 50 0 FEAALP Cc1noc([C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2CO)n1 ZINC000253402021 549686853 /nfs/dbraw/zinc/68/68/53/549686853.db2.gz FYLWAPNFFZQPRX-PKOBYXMFSA-N 2 2 356.470 2.050 50 0 FEAALP Cc1c[nH]c(CNC(=O)N2CCC[N@@H+](C3Cc4ccccc4C3)CC2)[nH+]1 ZINC000426374151 571216731 /nfs/dbraw/zinc/21/67/31/571216731.db2.gz JHHGFBRPJYZMBB-UHFFFAOYSA-N 2 2 353.470 2.103 50 0 FEAALP Cc1c[nH]c(CNC(=O)N2CCC[N@H+](C3Cc4ccccc4C3)CC2)[nH+]1 ZINC000426374151 571216732 /nfs/dbraw/zinc/21/67/32/571216732.db2.gz JHHGFBRPJYZMBB-UHFFFAOYSA-N 2 2 353.470 2.103 50 0 FEAALP O=C(NC1CC[NH+](Cc2cccnc2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000426382724 571217350 /nfs/dbraw/zinc/21/73/50/571217350.db2.gz NKHCYLBPQHMSOY-KRWDZBQOSA-N 2 2 368.485 2.358 50 0 FEAALP C[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000003305623 539362834 /nfs/dbraw/zinc/36/28/34/539362834.db2.gz HSCLWTMHLZQAQR-OAHLLOKOSA-N 2 2 357.292 2.215 50 0 FEAALP C[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000003305623 539362838 /nfs/dbraw/zinc/36/28/38/539362838.db2.gz HSCLWTMHLZQAQR-OAHLLOKOSA-N 2 2 357.292 2.215 50 0 FEAALP O=C(NCC1CC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000011821700 539535933 /nfs/dbraw/zinc/53/59/33/539535933.db2.gz LJDHGCXWHSJUPQ-IBGZPJMESA-N 2 2 356.514 2.284 50 0 FEAALP O=C(NCC1CC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000011821700 539535938 /nfs/dbraw/zinc/53/59/38/539535938.db2.gz LJDHGCXWHSJUPQ-IBGZPJMESA-N 2 2 356.514 2.284 50 0 FEAALP CC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)CC1 ZINC000014948077 539607897 /nfs/dbraw/zinc/60/78/97/539607897.db2.gz MOZGOJIQAKMVRV-LJQANCHMSA-N 2 2 373.545 2.137 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2cccc(OC)c2)C3)CC1 ZINC000015779430 539623282 /nfs/dbraw/zinc/62/32/82/539623282.db2.gz WVXHZIUZOHUMLE-UHFFFAOYSA-N 2 2 367.497 2.185 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2cccc(OC)c2)C3)CC1 ZINC000015779430 539623284 /nfs/dbraw/zinc/62/32/84/539623284.db2.gz WVXHZIUZOHUMLE-UHFFFAOYSA-N 2 2 367.497 2.185 50 0 FEAALP c1c(C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)nn2c1C[NH2+]CC2 ZINC000072167499 541794253 /nfs/dbraw/zinc/79/42/53/541794253.db2.gz NMFOEDNXCQVSRT-OAHLLOKOSA-N 2 2 350.470 2.317 50 0 FEAALP c1c(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)nn2c1C[NH2+]CC2 ZINC000072167499 541794255 /nfs/dbraw/zinc/79/42/55/541794255.db2.gz NMFOEDNXCQVSRT-OAHLLOKOSA-N 2 2 350.470 2.317 50 0 FEAALP COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)c(F)c1 ZINC000072408505 541806272 /nfs/dbraw/zinc/80/62/72/541806272.db2.gz CGLJEOAXDOSCHN-OAHLLOKOSA-N 2 2 361.465 2.404 50 0 FEAALP COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+](C)C)n3C)C2)c(F)c1 ZINC000072408505 541806273 /nfs/dbraw/zinc/80/62/73/541806273.db2.gz CGLJEOAXDOSCHN-OAHLLOKOSA-N 2 2 361.465 2.404 50 0 FEAALP Cc1csc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)n1 ZINC000072427129 541810795 /nfs/dbraw/zinc/81/07/95/541810795.db2.gz FDJRNNYUXSHNLJ-GOEBONIOSA-N 2 2 359.499 2.230 50 0 FEAALP Cc1csc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH+]c[nH]3)C2)n1 ZINC000072427129 541810797 /nfs/dbraw/zinc/81/07/97/541810797.db2.gz FDJRNNYUXSHNLJ-GOEBONIOSA-N 2 2 359.499 2.230 50 0 FEAALP Cc1csc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)n1 ZINC000072427129 541810799 /nfs/dbraw/zinc/81/07/99/541810799.db2.gz FDJRNNYUXSHNLJ-GOEBONIOSA-N 2 2 359.499 2.230 50 0 FEAALP Cc1csc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCc3c[nH]c[nH+]3)C2)n1 ZINC000072427129 541810800 /nfs/dbraw/zinc/81/08/00/541810800.db2.gz FDJRNNYUXSHNLJ-GOEBONIOSA-N 2 2 359.499 2.230 50 0 FEAALP CC[C@@H](Nc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1ccc(OC)c(OC)c1 ZINC000072428725 541811657 /nfs/dbraw/zinc/81/16/57/541811657.db2.gz HXJKFSQVRXAULP-CQSZACIVSA-N 2 2 357.458 2.327 50 0 FEAALP COc1ccc(C(=O)NCCNc2cc(-n3c[nH+]c(C)c3C)nc[nH+]2)cc1 ZINC000072437821 541814205 /nfs/dbraw/zinc/81/42/05/541814205.db2.gz FKNKIFBXRJJNHI-UHFFFAOYSA-N 2 2 366.425 2.130 50 0 FEAALP CC(C)=CCC[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072467913 541817430 /nfs/dbraw/zinc/81/74/30/541817430.db2.gz DPIQJJSZJBEENP-KRWDZBQOSA-N 2 2 361.534 2.308 50 0 FEAALP CC(C)=CCC[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1 ZINC000072467913 541817434 /nfs/dbraw/zinc/81/74/34/541817434.db2.gz DPIQJJSZJBEENP-KRWDZBQOSA-N 2 2 361.534 2.308 50 0 FEAALP c1csc(CCNc2ncnc3c2CC[N@@H+]([C@@H]2CCC[NH2+]C2)CC3)c1 ZINC000072454445 541816055 /nfs/dbraw/zinc/81/60/55/541816055.db2.gz MARRTPDVPRLIFY-OAHLLOKOSA-N 2 2 357.527 2.345 50 0 FEAALP c1csc(CCNc2ncnc3c2CC[N@H+]([C@@H]2CCC[NH2+]C2)CC3)c1 ZINC000072454445 541816058 /nfs/dbraw/zinc/81/60/58/541816058.db2.gz MARRTPDVPRLIFY-OAHLLOKOSA-N 2 2 357.527 2.345 50 0 FEAALP Fc1ccc2[nH]c(CCCn3ccnc3-c3cc4n(n3)CC[NH2+]C4)[nH+]c2c1 ZINC000072454627 541816684 /nfs/dbraw/zinc/81/66/84/541816684.db2.gz QNULLOHWGZGBTB-UHFFFAOYSA-N 2 2 365.416 2.498 50 0 FEAALP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1[nH+]ccn1CC)CC[NH+](C)CC2 ZINC000072479956 541821606 /nfs/dbraw/zinc/82/16/06/541821606.db2.gz FSNDPNLQCCORIL-KRWDZBQOSA-N 3 2 361.534 2.058 50 0 FEAALP CCC[N@H+]1CC2(C[C@H]1C(=O)N(C)Cc1[nH+]ccn1CC)CC[NH+](C)CC2 ZINC000072479956 541821607 /nfs/dbraw/zinc/82/16/07/541821607.db2.gz FSNDPNLQCCORIL-KRWDZBQOSA-N 3 2 361.534 2.058 50 0 FEAALP COCCC[N@H+](Cc1cnc(-c2ccccn2)nc1)C1CC[NH+](C)CC1 ZINC000072476209 541819386 /nfs/dbraw/zinc/81/93/86/541819386.db2.gz IPXOOXYPXVDPDI-UHFFFAOYSA-N 2 2 355.486 2.471 50 0 FEAALP COCCC[N@@H+](Cc1cnc(-c2ccccn2)nc1)C1CC[NH+](C)CC1 ZINC000072476209 541819390 /nfs/dbraw/zinc/81/93/90/541819390.db2.gz IPXOOXYPXVDPDI-UHFFFAOYSA-N 2 2 355.486 2.471 50 0 FEAALP COC1CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000058306903 212003698 /nfs/dbraw/zinc/00/36/98/212003698.db2.gz SWQOKYOYBAQLCK-UHFFFAOYSA-N 2 2 363.527 2.285 50 0 FEAALP O[C@H]1[C@H]([NH+]2CCC(Cn3cc[nH+]c3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000023214941 211379207 /nfs/dbraw/zinc/37/92/07/211379207.db2.gz GXTYUXPCBRMEHM-RTWAWAEBSA-N 3 2 366.509 2.332 50 0 FEAALP O[C@H]1[C@H]([NH+]2CCC(Cn3ccnc3)CC2)c2ccccc2C12CC[NH2+]CC2 ZINC000023214941 211379216 /nfs/dbraw/zinc/37/92/16/211379216.db2.gz GXTYUXPCBRMEHM-RTWAWAEBSA-N 2 2 366.509 2.332 50 0 FEAALP Cc1ccc(-n2ncc3c2nc[nH+]c3NCCC[NH+]2CCOCC2)cc1 ZINC000020662165 211292094 /nfs/dbraw/zinc/29/20/94/211292094.db2.gz STZDQJMYKXPUGQ-UHFFFAOYSA-N 2 2 352.442 2.258 50 0 FEAALP CCc1ccc(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C2)cc1 ZINC000015079352 211122197 /nfs/dbraw/zinc/12/21/97/211122197.db2.gz UUIWSEJWZCCMED-GOSISDBHSA-N 2 2 367.559 2.286 50 0 FEAALP CCc1ccc(S(=O)(=O)N2CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C2)cc1 ZINC000015079352 211122201 /nfs/dbraw/zinc/12/22/01/211122201.db2.gz UUIWSEJWZCCMED-GOSISDBHSA-N 2 2 367.559 2.286 50 0 FEAALP O=C(c1nc2sccn2c1C[NH2+]CCCn1cc[nH+]c1)N1CCCC1 ZINC000011818807 210896100 /nfs/dbraw/zinc/89/61/00/210896100.db2.gz NXIUHUNKKKARKC-UHFFFAOYSA-N 2 2 358.471 2.008 50 0 FEAALP C[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)Cc1ccccn1 ZINC000077406853 542379254 /nfs/dbraw/zinc/37/92/54/542379254.db2.gz FYMALMMWIRNHGL-UHFFFAOYSA-N 2 2 370.472 2.387 50 0 FEAALP C[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)Cc1ccccn1 ZINC000077406853 542379259 /nfs/dbraw/zinc/37/92/59/542379259.db2.gz FYMALMMWIRNHGL-UHFFFAOYSA-N 2 2 370.472 2.387 50 0 FEAALP C[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)Cc1ccccn1 ZINC000077406853 542379261 /nfs/dbraw/zinc/37/92/61/542379261.db2.gz FYMALMMWIRNHGL-UHFFFAOYSA-N 2 2 370.472 2.387 50 0 FEAALP C[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)Cc1ccccn1 ZINC000077406853 542379266 /nfs/dbraw/zinc/37/92/66/542379266.db2.gz FYMALMMWIRNHGL-UHFFFAOYSA-N 2 2 370.472 2.387 50 0 FEAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)[nH+]cn1 ZINC000067620618 221263488 /nfs/dbraw/zinc/26/34/88/221263488.db2.gz FFHJUYMRLDAWME-UHFFFAOYSA-N 2 2 366.400 2.072 50 0 FEAALP c1[nH]cc(C[C@H]2CN(c3cc[nH+]cc3)Cc3nnc(C4CCOCC4)n32)[nH+]1 ZINC000077391055 132183367 /nfs/dbraw/zinc/18/33/67/132183367.db2.gz YDCFNICUNODYPD-KRWDZBQOSA-N 2 2 365.441 2.094 50 0 FEAALP c1[nH]c(C[C@H]2CN(c3cc[nH+]cc3)Cc3nnc(C4CCOCC4)n32)c[nH+]1 ZINC000077391055 132183368 /nfs/dbraw/zinc/18/33/68/132183368.db2.gz YDCFNICUNODYPD-KRWDZBQOSA-N 2 2 365.441 2.094 50 0 FEAALP CCc1cc(N2CCC(c3nnc(Cn4cc[nH+]c4)n3C)CC2)nc(C)[nH+]1 ZINC000091985972 132205060 /nfs/dbraw/zinc/20/50/60/132205060.db2.gz ZMGSVWIAHNUXIH-UHFFFAOYSA-N 2 2 366.473 2.105 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000095385328 132209893 /nfs/dbraw/zinc/20/98/93/132209893.db2.gz CLSNYLOTASVRRV-UHFFFAOYSA-N 2 2 357.458 2.312 50 0 FEAALP CCCc1nc(N2CCC([N@@H+]3C[C@H](O)[C@@H](OC(C)C)C3)CC2)cc(C)[nH+]1 ZINC000095505809 132212667 /nfs/dbraw/zinc/21/26/67/132212667.db2.gz XQYBGBXKPHURNO-ROUUACIJSA-N 2 2 362.518 2.176 50 0 FEAALP CCCc1nc(N2CCC([N@H+]3C[C@H](O)[C@@H](OC(C)C)C3)CC2)cc(C)[nH+]1 ZINC000095505809 132212668 /nfs/dbraw/zinc/21/26/68/132212668.db2.gz XQYBGBXKPHURNO-ROUUACIJSA-N 2 2 362.518 2.176 50 0 FEAALP Cc1[nH+]c(N(C)C)nc(N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)c1C ZINC000095505584 132212690 /nfs/dbraw/zinc/21/26/90/132212690.db2.gz WPHKLEKKQICUGF-KRWDZBQOSA-N 3 2 371.533 2.302 50 0 FEAALP Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000055060727 136125967 /nfs/dbraw/zinc/12/59/67/136125967.db2.gz RGSWXCGIULFGMQ-IBGZPJMESA-N 2 2 367.497 2.005 50 0 FEAALP C[NH+](C)[C@@H](C(=O)N1CC[NH+](C2CCSCC2)CC1)c1cccc(F)c1 ZINC000095372511 542962527 /nfs/dbraw/zinc/96/25/27/542962527.db2.gz WBAATMMRVCSBRR-GOSISDBHSA-N 2 2 365.518 2.468 50 0 FEAALP C[NH+](C)[C@H](C(=O)N1CC[NH+](C2CCSCC2)CC1)c1cccc(F)c1 ZINC000095372510 542962929 /nfs/dbraw/zinc/96/29/29/542962929.db2.gz WBAATMMRVCSBRR-SFHVURJKSA-N 2 2 365.518 2.468 50 0 FEAALP C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000095373644 542963798 /nfs/dbraw/zinc/96/37/98/542963798.db2.gz IIHBSNRBOFVAJT-NRFANRHFSA-N 2 2 364.493 2.219 50 0 FEAALP C[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000095373644 542963801 /nfs/dbraw/zinc/96/38/01/542963801.db2.gz IIHBSNRBOFVAJT-NRFANRHFSA-N 2 2 364.493 2.219 50 0 FEAALP CCc1ncc(C(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)cn1 ZINC000095354369 542957969 /nfs/dbraw/zinc/95/79/69/542957969.db2.gz PEDXNMPFJRWZGX-UHFFFAOYSA-N 2 2 370.501 2.207 50 0 FEAALP O=C(C[NH+]1CCCC1)N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095367014 542960450 /nfs/dbraw/zinc/96/04/50/542960450.db2.gz JZFRGWSILJXYBF-HNNXBMFYSA-N 2 2 359.499 2.190 50 0 FEAALP O[C@H]1CCCOC12CC[NH+](Cc1ccccc1OCCn1cc[nH+]c1)CC2 ZINC000095390997 542968017 /nfs/dbraw/zinc/96/80/17/542968017.db2.gz PQYRSNAZAJXGTN-FQEVSTJZSA-N 2 2 371.481 2.468 50 0 FEAALP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000082106936 221700858 /nfs/dbraw/zinc/70/08/58/221700858.db2.gz QHKHRJFAEUOESF-KRWDZBQOSA-N 2 2 360.502 2.017 50 0 FEAALP COc1ccc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC000102846132 222310186 /nfs/dbraw/zinc/31/01/86/222310186.db2.gz YFLMSLDQWFZSTQ-RUENVJTFSA-N 2 2 354.454 2.225 50 0 FEAALP C[NH+]1CCC(N2CC[N@H+](Cc3cccc(Cl)c3)C[C@H]2CCO)CC1 ZINC000105627196 222372283 /nfs/dbraw/zinc/37/22/83/222372283.db2.gz SUKOJZGCACLAFD-LJQANCHMSA-N 2 2 351.922 2.303 50 0 FEAALP C[NH+]1CCC(N2CC[N@@H+](Cc3cccc(Cl)c3)C[C@H]2CCO)CC1 ZINC000105627196 222372287 /nfs/dbraw/zinc/37/22/87/222372287.db2.gz SUKOJZGCACLAFD-LJQANCHMSA-N 2 2 351.922 2.303 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCN(Cc3cccc(Cl)c3)C[C@H]2CCO)CC1 ZINC000105627196 222372290 /nfs/dbraw/zinc/37/22/90/222372290.db2.gz SUKOJZGCACLAFD-LJQANCHMSA-N 2 2 351.922 2.303 50 0 FEAALP C[NH+]1CCC([N@H+]2CCN(Cc3cccc(Cl)c3)C[C@H]2CCO)CC1 ZINC000105627196 222372293 /nfs/dbraw/zinc/37/22/93/222372293.db2.gz SUKOJZGCACLAFD-LJQANCHMSA-N 2 2 351.922 2.303 50 0 FEAALP Cc1nc2c(s1)[C@@H]([NH2+]CCC[NH+]1CCN(c3ncccn3)CC1)CCC2 ZINC000133703827 326613496 /nfs/dbraw/zinc/61/34/96/326613496.db2.gz MSGMNPPZRRDNCX-INIZCTEOSA-N 2 2 372.542 2.421 50 0 FEAALP O=C1NCCC[C@]12CC[N@H+](Cc1ccc(OCCn3cc[nH+]c3)cc1)C2 ZINC000091616454 527066302 /nfs/dbraw/zinc/06/63/02/527066302.db2.gz SZOANXVMCLYSTF-HXUWFJFHSA-N 2 2 354.454 2.064 50 0 FEAALP O=C1NCCC[C@]12CC[N@@H+](Cc1ccc(OCCn3cc[nH+]c3)cc1)C2 ZINC000091616454 527066308 /nfs/dbraw/zinc/06/63/08/527066308.db2.gz SZOANXVMCLYSTF-HXUWFJFHSA-N 2 2 354.454 2.064 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCN(c3cccc(C(F)(F)F)n3)C[C@@H]2CCO)CC1 ZINC000072463819 536339536 /nfs/dbraw/zinc/33/95/36/536339536.db2.gz JMRZGEHGJUHOPH-HNNXBMFYSA-N 2 2 372.435 2.068 50 0 FEAALP C[NH+]1CCC([N@H+]2CCN(c3cccc(C(F)(F)F)n3)C[C@@H]2CCO)CC1 ZINC000072463819 536339539 /nfs/dbraw/zinc/33/95/39/536339539.db2.gz JMRZGEHGJUHOPH-HNNXBMFYSA-N 2 2 372.435 2.068 50 0 FEAALP C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000216346757 548677453 /nfs/dbraw/zinc/67/74/53/548677453.db2.gz CMYBYNOZBHPXRW-VQTJNVASSA-N 2 2 359.514 2.066 50 0 FEAALP C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccccc1OCC[NH+]1CCOCC1)C2 ZINC000216346757 548677456 /nfs/dbraw/zinc/67/74/56/548677456.db2.gz CMYBYNOZBHPXRW-VQTJNVASSA-N 2 2 359.514 2.066 50 0 FEAALP Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccncc1 ZINC000252485251 549667628 /nfs/dbraw/zinc/66/76/28/549667628.db2.gz GPPDWZURWNRNMM-LJQANCHMSA-N 2 2 355.486 2.490 50 0 FEAALP Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccncc1 ZINC000252485251 549667632 /nfs/dbraw/zinc/66/76/32/549667632.db2.gz GPPDWZURWNRNMM-LJQANCHMSA-N 2 2 355.486 2.490 50 0 FEAALP C[N@H+](CCNC(=O)N1CCC[C@H](Cn2cc[nH+]c2)C1)CCc1ccccc1 ZINC000426701413 559740641 /nfs/dbraw/zinc/74/06/41/559740641.db2.gz LIEGYQYIQASFJB-HXUWFJFHSA-N 2 2 369.513 2.479 50 0 FEAALP C[N@@H+](CCNC(=O)N1CCC[C@H](Cn2cc[nH+]c2)C1)CCc1ccccc1 ZINC000426701413 559740642 /nfs/dbraw/zinc/74/06/42/559740642.db2.gz LIEGYQYIQASFJB-HXUWFJFHSA-N 2 2 369.513 2.479 50 0 FEAALP CC[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000426438524 571225131 /nfs/dbraw/zinc/22/51/31/571225131.db2.gz CTHAZJADPZMOCO-SFHVURJKSA-N 2 2 374.529 2.254 50 0 FEAALP CC[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)C1 ZINC000426438524 571225134 /nfs/dbraw/zinc/22/51/34/571225134.db2.gz CTHAZJADPZMOCO-SFHVURJKSA-N 2 2 374.529 2.254 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2cccc(F)c2)C3)CC1 ZINC000015779417 571351698 /nfs/dbraw/zinc/35/16/98/571351698.db2.gz JATTXQYSIXOYMQ-UHFFFAOYSA-N 2 2 355.461 2.316 50 0 FEAALP CC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2cccc(F)c2)C3)CC1 ZINC000015779417 571351699 /nfs/dbraw/zinc/35/16/99/571351699.db2.gz JATTXQYSIXOYMQ-UHFFFAOYSA-N 2 2 355.461 2.316 50 0 FEAALP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000008939808 539494550 /nfs/dbraw/zinc/49/45/50/539494550.db2.gz PYSKQIVPXMCSAA-UHFFFAOYSA-N 2 2 372.513 2.390 50 0 FEAALP C[N@H+](Cc1ccc(C(C)(C)C)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000008939808 539494552 /nfs/dbraw/zinc/49/45/52/539494552.db2.gz PYSKQIVPXMCSAA-UHFFFAOYSA-N 2 2 372.513 2.390 50 0 FEAALP Cc1ccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3)C2)c(OCCC[NH3+])c1 ZINC000299777944 210023445 /nfs/dbraw/zinc/02/34/45/210023445.db2.gz LXJOBCUUQPKPOL-QGZVFWFLSA-N 2 2 356.470 2.472 50 0 FEAALP O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CC[NH+](C2CCSCC2)CC1 ZINC000299767453 210015526 /nfs/dbraw/zinc/01/55/26/210015526.db2.gz GVUDCFZWVKIMDD-UHFFFAOYSA-N 2 2 360.483 2.178 50 0 FEAALP C[C@H]1CNC(=O)CC[N@@H+]1Cc1ccccc1OCCCCn1cc[nH+]c1 ZINC000055153934 540631627 /nfs/dbraw/zinc/63/16/27/540631627.db2.gz ZQORTKRCPLDSIQ-KRWDZBQOSA-N 2 2 356.470 2.453 50 0 FEAALP C[C@H]1CNC(=O)CC[N@H+]1Cc1ccccc1OCCCCn1cc[nH+]c1 ZINC000055153934 540631629 /nfs/dbraw/zinc/63/16/29/540631629.db2.gz ZQORTKRCPLDSIQ-KRWDZBQOSA-N 2 2 356.470 2.453 50 0 FEAALP Nc1cc(N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc[nH+]1 ZINC000072140445 541786197 /nfs/dbraw/zinc/78/61/97/541786197.db2.gz RAEDGQHOSFRSII-ATZDWAIDSA-N 2 2 357.408 2.404 50 0 FEAALP C[NH+](C)Cc1cc2n(n1)CC[N@H+](Cc1cnc(-c3cccs3)nc1)C2 ZINC000072146092 541787790 /nfs/dbraw/zinc/78/77/90/541787790.db2.gz BNQCOXKRQYZFJN-UHFFFAOYSA-N 2 2 354.483 2.479 50 0 FEAALP C[NH+](C)Cc1cc2n(n1)CC[N@@H+](Cc1cnc(-c3cccs3)nc1)C2 ZINC000072146092 541787792 /nfs/dbraw/zinc/78/77/92/541787792.db2.gz BNQCOXKRQYZFJN-UHFFFAOYSA-N 2 2 354.483 2.479 50 0 FEAALP O[C@]1(C[NH+]2CCCCC2)CC[N@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077406807 542379540 /nfs/dbraw/zinc/37/95/40/542379540.db2.gz MWLUYCOJEGREMT-FQEVSTJZSA-N 2 2 358.461 2.434 50 0 FEAALP O[C@]1(C[NH+]2CCCCC2)CC[N@@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000077406807 542379544 /nfs/dbraw/zinc/37/95/44/542379544.db2.gz MWLUYCOJEGREMT-FQEVSTJZSA-N 2 2 358.461 2.434 50 0 FEAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000077438390 542381573 /nfs/dbraw/zinc/38/15/73/542381573.db2.gz CRWYZUOIQJONLR-QGZVFWFLSA-N 2 2 354.397 2.431 50 0 FEAALP O[C@@]1(C[NH+]2CCCC2)CCC[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000077438390 542381575 /nfs/dbraw/zinc/38/15/75/542381575.db2.gz CRWYZUOIQJONLR-QGZVFWFLSA-N 2 2 354.397 2.431 50 0 FEAALP Cc1[nH+]c2ccccc2n1Cc1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)no1 ZINC000067712825 221273254 /nfs/dbraw/zinc/27/32/54/221273254.db2.gz UYPIOSORSIOKSD-OLZOCXBDSA-N 2 2 353.426 2.203 50 0 FEAALP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3c[nH+]cn3C3CC3)CC2)C1 ZINC000071754661 221364786 /nfs/dbraw/zinc/36/47/86/221364786.db2.gz ICVJDYQGFVPXIL-MRXNPFEDSA-N 2 2 371.529 2.173 50 0 FEAALP O=C(NC1CC1)[C@@H]1CCC[N@H+](C2CCN(Cc3c[nH+]cn3C3CC3)CC2)C1 ZINC000071754661 221364789 /nfs/dbraw/zinc/36/47/89/221364789.db2.gz ICVJDYQGFVPXIL-MRXNPFEDSA-N 2 2 371.529 2.173 50 0 FEAALP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2CC[NH+](C3CCOCC3)CC2)C1 ZINC000082106935 542684434 /nfs/dbraw/zinc/68/44/34/542684434.db2.gz QHKHRJFAEUOESF-QGZVFWFLSA-N 2 2 360.502 2.017 50 0 FEAALP c1nc(N2CCOCC2)ncc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077436796 132184694 /nfs/dbraw/zinc/18/46/94/132184694.db2.gz DGLOMGFTOOAHHS-IBGZPJMESA-N 2 2 359.518 2.154 50 0 FEAALP c1nc(N2CCOCC2)ncc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000077436796 132184696 /nfs/dbraw/zinc/18/46/96/132184696.db2.gz DGLOMGFTOOAHHS-IBGZPJMESA-N 2 2 359.518 2.154 50 0 FEAALP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000095427839 132211112 /nfs/dbraw/zinc/21/11/12/132211112.db2.gz SDYWERSFNQLEIP-QGZVFWFLSA-N 2 2 371.485 2.069 50 0 FEAALP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000095427839 132211113 /nfs/dbraw/zinc/21/11/13/132211113.db2.gz SDYWERSFNQLEIP-QGZVFWFLSA-N 2 2 371.485 2.069 50 0 FEAALP CNc1cc[nH+]c(N2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)n1 ZINC000072433814 136147215 /nfs/dbraw/zinc/14/72/15/136147215.db2.gz NHHVCXVDSHOPNS-HNNXBMFYSA-N 2 2 370.505 2.017 50 0 FEAALP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000095351217 542957631 /nfs/dbraw/zinc/95/76/31/542957631.db2.gz UNXAYSLWNXFQQD-CHWSQXEVSA-N 2 2 359.396 2.214 50 0 FEAALP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000095351217 542957634 /nfs/dbraw/zinc/95/76/34/542957634.db2.gz UNXAYSLWNXFQQD-CHWSQXEVSA-N 2 2 359.396 2.214 50 0 FEAALP C[NH+]1CCN(Cc2noc(C[NH+]3CCC(c4ccccc4)CC3)n2)CC1 ZINC000095392044 542968273 /nfs/dbraw/zinc/96/82/73/542968273.db2.gz YUUMVDWOIOSZIS-UHFFFAOYSA-N 2 2 355.486 2.197 50 0 FEAALP Cn1ccc2ccc(C(=O)N3CC[NH+](C[C@@H]4CCC[N@H+](C)C4)CC3)cc21 ZINC000095498438 542974512 /nfs/dbraw/zinc/97/45/12/542974512.db2.gz HBRITJMMOFWKMA-QGZVFWFLSA-N 2 2 354.498 2.278 50 0 FEAALP Cn1ccc2ccc(C(=O)N3CC[NH+](C[C@@H]4CCC[N@@H+](C)C4)CC3)cc21 ZINC000095498438 542974514 /nfs/dbraw/zinc/97/45/14/542974514.db2.gz HBRITJMMOFWKMA-QGZVFWFLSA-N 2 2 354.498 2.278 50 0 FEAALP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1cc(C)on1 ZINC000095946729 542983590 /nfs/dbraw/zinc/98/35/90/542983590.db2.gz PIFCHBGCGDBZKH-SFHVURJKSA-N 2 2 372.469 2.322 50 0 FEAALP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000095941567 542983624 /nfs/dbraw/zinc/98/36/24/542983624.db2.gz BWCRJRATABFZQV-PMACEKPBSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000095941567 542983626 /nfs/dbraw/zinc/98/36/26/542983626.db2.gz BWCRJRATABFZQV-PMACEKPBSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@@H](CNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000095941567 542983627 /nfs/dbraw/zinc/98/36/27/542983627.db2.gz BWCRJRATABFZQV-PMACEKPBSA-N 3 2 360.546 2.212 50 0 FEAALP C[NH+](C)[C@@H](CNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000095941567 542983629 /nfs/dbraw/zinc/98/36/29/542983629.db2.gz BWCRJRATABFZQV-PMACEKPBSA-N 3 2 360.546 2.212 50 0 FEAALP Cc1nnsc1C(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095523409 542979799 /nfs/dbraw/zinc/97/97/99/542979799.db2.gz KSXXFCLRLALAPO-CQSZACIVSA-N 2 2 362.503 2.015 50 0 FEAALP Cc1cccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)n1 ZINC000096132432 222038846 /nfs/dbraw/zinc/03/88/46/222038846.db2.gz AMDNYCNIVNWKFN-UHFFFAOYSA-N 2 2 354.502 2.494 50 0 FEAALP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000153303916 544757966 /nfs/dbraw/zinc/75/79/66/544757966.db2.gz HRQVUPLWESYGAA-IAGOWNOFSA-N 2 2 368.485 2.466 50 0 FEAALP CCNc1cc[nH+]c(N2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)n1 ZINC000082108211 520348591 /nfs/dbraw/zinc/34/85/91/520348591.db2.gz NJISJPBDXDIVRQ-UHFFFAOYSA-N 2 2 370.505 2.280 50 0 FEAALP CCCn1cc[nH+]c1CN1CC[N@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091365242 521662880 /nfs/dbraw/zinc/66/28/80/521662880.db2.gz STSCYWXWVVIESN-NRFANRHFSA-N 2 2 373.545 2.202 50 0 FEAALP CCCn1cc[nH+]c1CN1CC[N@@H+](C)[C@@]2(C1)CCC(=O)N(CC1CC1)CC2 ZINC000091365242 521662882 /nfs/dbraw/zinc/66/28/82/521662882.db2.gz STSCYWXWVVIESN-NRFANRHFSA-N 2 2 373.545 2.202 50 0 FEAALP Cc1cccc(OC[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CC[NH2+]CC3)C2)c1 ZINC000082146302 524759186 /nfs/dbraw/zinc/75/91/86/524759186.db2.gz AZENEJXMQAECKA-GOSISDBHSA-N 2 2 359.514 2.296 50 0 FEAALP Cc1cccc(OC[C@@H]2CCCN(C(=O)C[N@H+](C)C3CC[NH2+]CC3)C2)c1 ZINC000082146302 524759200 /nfs/dbraw/zinc/75/92/00/524759200.db2.gz AZENEJXMQAECKA-GOSISDBHSA-N 2 2 359.514 2.296 50 0 FEAALP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000020102749 526317635 /nfs/dbraw/zinc/31/76/35/526317635.db2.gz NTSVWDBQEPEIJY-UHFFFAOYSA-N 2 2 365.905 2.000 50 0 FEAALP Cc1c[nH+]ccc1N1CCCN(C(=O)CC2=CSC3=[NH+]CCN23)CC1 ZINC000219858356 548696066 /nfs/dbraw/zinc/69/60/66/548696066.db2.gz BHVSCOAMCPSOSD-UHFFFAOYSA-N 2 2 357.483 2.079 50 0 FEAALP Cc1[nH+]ccn1CC[C@H](NC(=O)CC[NH+]1CCOCC1)c1ccccc1 ZINC000221257022 548704220 /nfs/dbraw/zinc/70/42/20/548704220.db2.gz JXCBMHZEDLXXJP-IBGZPJMESA-N 2 2 356.470 2.161 50 0 FEAALP CC(C)(C)n1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)nn1 ZINC000242087951 548885738 /nfs/dbraw/zinc/88/57/38/548885738.db2.gz WAOZPYNDBZGZLW-UHFFFAOYSA-N 2 2 373.501 2.034 50 0 FEAALP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2CO)CC1)[NH+]1CCCCCC1 ZINC000244633493 548891709 /nfs/dbraw/zinc/89/17/09/548891709.db2.gz GDZDCWVTILBIMP-SFHVURJKSA-N 2 2 359.514 2.088 50 0 FEAALP CCn1c(C[NH+]2CCC(C[NH+]3CCCCC3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244735081 548893780 /nfs/dbraw/zinc/89/37/80/548893780.db2.gz NSTHSCSPFBCADX-HDICACEKSA-N 3 2 360.550 2.201 50 0 FEAALP Cc1noc([C@@H]2CCC[N@@H+]2CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000244872994 548897150 /nfs/dbraw/zinc/89/71/50/548897150.db2.gz WIDKQTRANXPRBE-IBGZPJMESA-N 2 2 355.486 2.333 50 0 FEAALP Cc1noc([C@@H]2CCC[N@H+]2CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000244872994 548897153 /nfs/dbraw/zinc/89/71/53/548897153.db2.gz WIDKQTRANXPRBE-IBGZPJMESA-N 2 2 355.486 2.333 50 0 FEAALP Cn1cc(-c2csc(CNc3ccc(N4CC[NH+](C)CC4)c[nH+]3)n2)cn1 ZINC000252527953 549673192 /nfs/dbraw/zinc/67/31/92/549673192.db2.gz DUUUWVYJSMVYCD-UHFFFAOYSA-N 2 2 369.498 2.303 50 0 FEAALP COc1ccc(CCNC(=O)N2CCC[N@H+](C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000426531853 559737102 /nfs/dbraw/zinc/73/71/02/559737102.db2.gz UQNCBZGBQSGQHK-UHFFFAOYSA-N 2 2 374.529 2.049 50 0 FEAALP COc1ccc(CCNC(=O)N2CCC[N@@H+](C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000426531853 559737103 /nfs/dbraw/zinc/73/71/03/559737103.db2.gz UQNCBZGBQSGQHK-UHFFFAOYSA-N 2 2 374.529 2.049 50 0 FEAALP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC([NH+]2CCSCC2)CC1 ZINC000426656965 559739714 /nfs/dbraw/zinc/73/97/14/559739714.db2.gz OTWJZBNGZGNXIU-UHFFFAOYSA-N 2 2 373.526 2.100 50 0 FEAALP Nc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426372003 571138665 /nfs/dbraw/zinc/13/86/65/571138665.db2.gz IELHDCAZJUQLKV-WEBJUUICSA-N 2 2 365.481 2.398 50 0 FEAALP C1CCC([NH+]2CCN(c3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)CC2)C1 ZINC000029997636 721859451 /nfs/dbraw/zinc/85/94/51/721859451.db2.gz LTCKPROOVJDJHA-UHFFFAOYSA-N 2 2 371.533 2.137 50 0 FEAALP Nc1cc[nH+]c(N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000072165390 541794048 /nfs/dbraw/zinc/79/40/48/541794048.db2.gz RGUJQVGUNGIAHL-FSPWUOQZSA-N 2 2 357.408 2.404 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)Nc2cc(F)cc(F)c2)[nH+]cn1 ZINC000072433974 541813833 /nfs/dbraw/zinc/81/38/33/541813833.db2.gz TVHKOLCIWCHUAB-UHFFFAOYSA-N 2 2 373.367 2.483 50 0 FEAALP Cc1cc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)on1 ZINC000072436282 541814038 /nfs/dbraw/zinc/81/40/38/541814038.db2.gz VLZSJQRLPQJYPA-MRXNPFEDSA-N 2 2 358.490 2.477 50 0 FEAALP Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)on1 ZINC000072436282 541814041 /nfs/dbraw/zinc/81/40/41/541814041.db2.gz VLZSJQRLPQJYPA-MRXNPFEDSA-N 2 2 358.490 2.477 50 0 FEAALP Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000014979165 220138465 /nfs/dbraw/zinc/13/84/65/220138465.db2.gz DHJSYCXJVONKRK-KRWDZBQOSA-N 2 2 371.522 2.171 50 0 FEAALP Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000014979165 220138466 /nfs/dbraw/zinc/13/84/66/220138466.db2.gz DHJSYCXJVONKRK-KRWDZBQOSA-N 2 2 371.522 2.171 50 0 FEAALP CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC[NH+]1CCCCC1)C2 ZINC000020994101 220347725 /nfs/dbraw/zinc/34/77/25/220347725.db2.gz KTEHXCRGVCHYAZ-KRWDZBQOSA-N 2 2 373.545 2.072 50 0 FEAALP CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000067562273 221259738 /nfs/dbraw/zinc/25/97/38/221259738.db2.gz VICQZVDWLOTJOQ-INIZCTEOSA-N 2 2 370.501 2.031 50 0 FEAALP C/C(=C\c1cc(Cl)ccc1O)C[NH+]1CCN(c2cc(N)[nH+]c(N)n2)CC1 ZINC000067723866 221276839 /nfs/dbraw/zinc/27/68/39/221276839.db2.gz JAWZKNCISXHWQD-XYOKQWHBSA-N 2 2 374.876 2.226 50 0 FEAALP COCC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071760961 221368439 /nfs/dbraw/zinc/36/84/39/221368439.db2.gz AULGBXNEWWMKTE-HXUWFJFHSA-N 2 2 373.541 2.168 50 0 FEAALP COCC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000071760961 221368442 /nfs/dbraw/zinc/36/84/42/221368442.db2.gz AULGBXNEWWMKTE-HXUWFJFHSA-N 2 2 373.541 2.168 50 0 FEAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCC1 ZINC000071681848 221353564 /nfs/dbraw/zinc/35/35/64/221353564.db2.gz FAZXWNBJFSKQQZ-LJQANCHMSA-N 2 2 356.514 2.380 50 0 FEAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCCC1 ZINC000071681848 221353565 /nfs/dbraw/zinc/35/35/65/221353565.db2.gz FAZXWNBJFSKQQZ-LJQANCHMSA-N 2 2 356.514 2.380 50 0 FEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000082107625 542684286 /nfs/dbraw/zinc/68/42/86/542684286.db2.gz YAGFQLBIYWUTRQ-UHFFFAOYSA-N 3 2 360.550 2.167 50 0 FEAALP CCn1c(CN2CCCC2)nnc1C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000082107625 542684288 /nfs/dbraw/zinc/68/42/88/542684288.db2.gz YAGFQLBIYWUTRQ-UHFFFAOYSA-N 2 2 360.550 2.167 50 0 FEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@H]1CCCN(c2[nH+]cnc3[nH]ccc32)C1 ZINC000077394456 132183324 /nfs/dbraw/zinc/18/33/24/132183324.db2.gz ZGEWBWITQQKKSQ-AWEZNQCLSA-N 2 2 366.473 2.066 50 0 FEAALP CCOCC[NH+]1CCN(c2cc(C)[nH+]c(Nc3cccc(O)c3)n2)CC1 ZINC000095355996 132207075 /nfs/dbraw/zinc/20/70/75/132207075.db2.gz QWHFWDVGRWLDMV-UHFFFAOYSA-N 2 2 357.458 2.393 50 0 FEAALP CCc1cc(N2CCC([NH2+]Cc3noc(C)n3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095501771 132212181 /nfs/dbraw/zinc/21/21/81/132212181.db2.gz PQHFKVCOGHPFJE-UHFFFAOYSA-N 2 2 371.489 2.089 50 0 FEAALP CCCc1nc(N2CCC([NH+]3CCN(C(=O)OC)CC3)CC2)cc(C)[nH+]1 ZINC000095500967 132212271 /nfs/dbraw/zinc/21/22/71/132212271.db2.gz XDWGYKCTISUSAS-UHFFFAOYSA-N 2 2 361.490 2.090 50 0 FEAALP c1cn(CCOc2ccc(C[NH+]3CCN(c4cnccn4)CC3)cc2)c[nH+]1 ZINC000215735819 132270707 /nfs/dbraw/zinc/27/07/07/132270707.db2.gz FFWPQEDDXODOHW-UHFFFAOYSA-N 2 2 364.453 2.074 50 0 FEAALP Cc1ccc(N2CCN(c3cc(C4CC([NH3+])C4)[nH+]c(N)n3)CC2)c(C)c1 ZINC000222270928 132276851 /nfs/dbraw/zinc/27/68/51/132276851.db2.gz GKMXSWLETYZVQU-UHFFFAOYSA-N 2 2 352.486 2.207 50 0 FEAALP CC(C)(C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccc1)C2)[NH+]1CCOCC1 ZINC000091950918 542834055 /nfs/dbraw/zinc/83/40/55/542834055.db2.gz KGUAAQPRJLHZFR-VQTJNVASSA-N 2 2 371.525 2.220 50 0 FEAALP CC(C)(C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2)[NH+]1CCOCC1 ZINC000091950918 542834058 /nfs/dbraw/zinc/83/40/58/542834058.db2.gz KGUAAQPRJLHZFR-VQTJNVASSA-N 2 2 371.525 2.220 50 0 FEAALP Cc1nc(N2CCC[C@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cc[nH+]1 ZINC000072420241 136145922 /nfs/dbraw/zinc/14/59/22/136145922.db2.gz QREJQXYCVQFKLQ-INIZCTEOSA-N 2 2 355.490 2.283 50 0 FEAALP CC(C)Nc1cc(N2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)nc[nH+]1 ZINC000072428723 136146609 /nfs/dbraw/zinc/14/66/09/136146609.db2.gz FDOUVDFWSADTFS-OAHLLOKOSA-N 2 2 361.515 2.432 50 0 FEAALP CC(C)Nc1cc(N2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)nc[nH+]1 ZINC000072428723 136146610 /nfs/dbraw/zinc/14/66/10/136146610.db2.gz FDOUVDFWSADTFS-OAHLLOKOSA-N 2 2 361.515 2.432 50 0 FEAALP C[NH+](C)[C@H](C(=O)NC1(C[NH+]2CCOCC2)CCCC1)c1cccc(F)c1 ZINC000095390210 542968204 /nfs/dbraw/zinc/96/82/04/542968204.db2.gz NHIBCBZWTHCNFG-SFHVURJKSA-N 2 2 363.477 2.190 50 0 FEAALP CC(C)=CC[NH+]1C[C@H]2CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc1ccccn1)C2 ZINC000091411597 519429391 /nfs/dbraw/zinc/42/93/91/519429391.db2.gz KUBODVBSTKUABO-UYAOXDASSA-N 2 2 356.514 2.402 50 0 FEAALP CC(C)=CC[NH+]1C[C@H]2CC[C@@H]1CN(C(=O)C[N@H+](C)Cc1ccccn1)C2 ZINC000091411597 519429398 /nfs/dbraw/zinc/42/93/98/519429398.db2.gz KUBODVBSTKUABO-UYAOXDASSA-N 2 2 356.514 2.402 50 0 FEAALP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C[NH+](C)Cc1ccccn1)C2 ZINC000091411597 519429403 /nfs/dbraw/zinc/42/94/03/519429403.db2.gz KUBODVBSTKUABO-UYAOXDASSA-N 2 2 356.514 2.402 50 0 FEAALP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C[NH+](C)Cc1ccccn1)C2 ZINC000091411597 519429409 /nfs/dbraw/zinc/42/94/09/519429409.db2.gz KUBODVBSTKUABO-UYAOXDASSA-N 2 2 356.514 2.402 50 0 FEAALP COc1c(C)c[nH+]c(CN(C)C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)c1C ZINC000252675538 521809151 /nfs/dbraw/zinc/80/91/51/521809151.db2.gz UHOHABLYDXJGPA-GASCZTMLSA-N 2 2 372.473 2.013 50 0 FEAALP c1ccc(OCC[NH+]2CCOCC2)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000248028609 526486005 /nfs/dbraw/zinc/48/60/05/526486005.db2.gz PDEFCCFDAGWHNT-FQEVSTJZSA-N 2 2 359.514 2.068 50 0 FEAALP c1ccc(OCC[NH+]2CCOCC2)c(CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000248028609 526486013 /nfs/dbraw/zinc/48/60/13/526486013.db2.gz PDEFCCFDAGWHNT-FQEVSTJZSA-N 2 2 359.514 2.068 50 0 FEAALP CCc1nc2c(c(N3CCC(Oc4cc[nH+]cc4)CC3)n1)CC[NH2+]CC2 ZINC000072448298 536154549 /nfs/dbraw/zinc/15/45/49/536154549.db2.gz PWIBDFAMMZBONT-UHFFFAOYSA-N 2 2 353.470 2.170 50 0 FEAALP COc1ccccc1N1CC[NH+](C2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000252501354 537067944 /nfs/dbraw/zinc/06/79/44/537067944.db2.gz UEYCXSXXKHUFDI-UHFFFAOYSA-N 2 2 359.514 2.461 50 0 FEAALP O=C1NC[C@]2(CCC[N@H+](Cc3ccccc3OCCCn3cc[nH+]c3)C2)O1 ZINC000215326816 548670945 /nfs/dbraw/zinc/67/09/45/548670945.db2.gz GWDSRMRTYOHNRM-FQEVSTJZSA-N 2 2 370.453 2.427 50 0 FEAALP O=C1NC[C@]2(CCC[N@@H+](Cc3ccccc3OCCCn3cc[nH+]c3)C2)O1 ZINC000215326816 548670949 /nfs/dbraw/zinc/67/09/49/548670949.db2.gz GWDSRMRTYOHNRM-FQEVSTJZSA-N 2 2 370.453 2.427 50 0 FEAALP OC1(C[NH+]2CCCC2)CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000215327804 548671767 /nfs/dbraw/zinc/67/17/67/548671767.db2.gz XSGSRHNBAFUQJL-UHFFFAOYSA-N 2 2 352.862 2.491 50 0 FEAALP CCN1CC[NH+](CCOc2ccc(C[NH+]3CCC(OC)CC3)cc2)CC1 ZINC000216228241 548675909 /nfs/dbraw/zinc/67/59/09/548675909.db2.gz LGKMJKXTLOKMNA-UHFFFAOYSA-N 2 2 361.530 2.314 50 0 FEAALP Cc1nnc([C@@H]2CCC[N@H+]2CCN2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000241081933 548884728 /nfs/dbraw/zinc/88/47/28/548884728.db2.gz YSUPSFLLKOYGDU-IBGZPJMESA-N 2 2 354.502 2.068 50 0 FEAALP C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527659017 562299244 /nfs/dbraw/zinc/29/92/44/562299244.db2.gz NFVJKXBNAVGUBS-WNHJNPCNSA-N 2 2 371.529 2.306 50 0 FEAALP C[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527659020 562299319 /nfs/dbraw/zinc/29/93/19/562299319.db2.gz NFVJKXBNAVGUBS-YSHGAJCASA-N 2 2 371.529 2.306 50 0 FEAALP C[NH2+]Cc1nnc(SCc2cn3cc(C)ccc3[nH+]2)n1C[C@H]1CCCO1 ZINC000426361447 571215510 /nfs/dbraw/zinc/21/55/10/571215510.db2.gz WKEXUJXCQZOWBD-OAHLLOKOSA-N 2 2 372.498 2.425 50 0 FEAALP CC(C)C[N@@H+]1CCN(C(=O)c2ccc(-c3[nH+]ccn3C)cc2)C[C@H]1CCO ZINC000426423167 571223559 /nfs/dbraw/zinc/22/35/59/571223559.db2.gz YEAGJDJXLFGPIB-LJQANCHMSA-N 2 2 370.497 2.252 50 0 FEAALP CC(C)C[N@H+]1CCN(C(=O)c2ccc(-c3[nH+]ccn3C)cc2)C[C@H]1CCO ZINC000426423167 571223560 /nfs/dbraw/zinc/22/35/60/571223560.db2.gz YEAGJDJXLFGPIB-LJQANCHMSA-N 2 2 370.497 2.252 50 0 FEAALP O=C(NCCn1cc[nH+]c1)[C@H]1CC12CC[NH+](CCc1ccccc1)CC2 ZINC000011784781 539534907 /nfs/dbraw/zinc/53/49/07/539534907.db2.gz RTZQIUCUKUTBHQ-LJQANCHMSA-N 2 2 352.482 2.344 50 0 FEAALP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)CC1 ZINC000034685142 539977771 /nfs/dbraw/zinc/97/77/71/539977771.db2.gz MPNDOBQFHQYVSW-GOSISDBHSA-N 2 2 371.525 2.162 50 0 FEAALP CC(C)[C@@H](C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000058208965 540833439 /nfs/dbraw/zinc/83/34/39/540833439.db2.gz LIGHVNDXCUCKEQ-HLIPFELVSA-N 2 2 374.529 2.432 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccccc2Cl)[nH+]cn1 ZINC000072433980 541813640 /nfs/dbraw/zinc/81/36/40/541813640.db2.gz AGHBUGNWXXVNLC-UHFFFAOYSA-N 2 2 356.817 2.466 50 0 FEAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000072473600 541818504 /nfs/dbraw/zinc/81/85/04/541818504.db2.gz HXILXDMLHLPXRL-CQSZACIVSA-N 2 2 371.514 2.261 50 0 FEAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000072473600 541818507 /nfs/dbraw/zinc/81/85/07/541818507.db2.gz HXILXDMLHLPXRL-CQSZACIVSA-N 2 2 371.514 2.261 50 0 FEAALP Nc1nc(NCc2cccc(OC(F)(F)F)c2)c2c([nH+]1)CC[NH2+]CC2 ZINC000072453510 541815698 /nfs/dbraw/zinc/81/56/98/541815698.db2.gz BZBRZNOCFCVQSO-UHFFFAOYSA-N 2 2 353.348 2.258 50 0 FEAALP CCCn1cc[nH+]c1CNC(=O)[C@H]1CC2(C[N@@H+]1CCC)CC[NH+](C)CC2 ZINC000072480235 541821338 /nfs/dbraw/zinc/82/13/38/541821338.db2.gz NETCKOIELTWOHE-QGZVFWFLSA-N 3 2 361.534 2.106 50 0 FEAALP CCCn1cc[nH+]c1CNC(=O)[C@H]1CC2(C[N@H+]1CCC)CC[NH+](C)CC2 ZINC000072480235 541821340 /nfs/dbraw/zinc/82/13/40/541821340.db2.gz NETCKOIELTWOHE-QGZVFWFLSA-N 3 2 361.534 2.106 50 0 FEAALP [NH2+]=c1n(CCc2ccccc2)c2ccccc2n1CC[NH+]1CCOCC1 ZINC000019943528 220306549 /nfs/dbraw/zinc/30/65/49/220306549.db2.gz LQPGNZSXGHYQOE-UHFFFAOYSA-N 2 2 350.466 2.497 50 0 FEAALP CC(C)=CCC[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1 ZINC000077439732 542382660 /nfs/dbraw/zinc/38/26/60/542382660.db2.gz BEFZSAYPDLAZRI-UHFFFAOYSA-N 2 2 361.534 2.308 50 0 FEAALP Cc1cc(C[NH+]2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)on1 ZINC000077535002 542393759 /nfs/dbraw/zinc/39/37/59/542393759.db2.gz LPWNPBHVBJMGMZ-UHFFFAOYSA-N 2 2 358.490 2.477 50 0 FEAALP Cn1c(C(=O)NCCC[NH+](C)C)cc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000065211051 221180083 /nfs/dbraw/zinc/18/00/83/221180083.db2.gz SEAXNHFXLHGOJW-UHFFFAOYSA-N 2 2 372.488 2.404 50 0 FEAALP Cn1c(C(=O)NCCC[NH+](C)C)cc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000065211051 221180086 /nfs/dbraw/zinc/18/00/86/221180086.db2.gz SEAXNHFXLHGOJW-UHFFFAOYSA-N 2 2 372.488 2.404 50 0 FEAALP Cc1ccc2[nH+]c(CNC(=O)c3cc4n(n3)CCC[N@@H+](C(C)C)C4)cn2c1 ZINC000065403264 221212212 /nfs/dbraw/zinc/21/22/12/221212212.db2.gz LJVNGJJZJPTAEB-UHFFFAOYSA-N 2 2 366.469 2.383 50 0 FEAALP Cc1ccc2[nH+]c(CNC(=O)c3cc4n(n3)CCC[N@H+](C(C)C)C4)cn2c1 ZINC000065403264 221212215 /nfs/dbraw/zinc/21/22/15/221212215.db2.gz LJVNGJJZJPTAEB-UHFFFAOYSA-N 2 2 366.469 2.383 50 0 FEAALP C[C@@H](Sc1ccccn1)C(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067817212 221288377 /nfs/dbraw/zinc/28/83/77/221288377.db2.gz PSTAUOVDYTWTQG-MRXNPFEDSA-N 2 2 362.543 2.191 50 0 FEAALP C[C@@H](Sc1ccccn1)C(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1 ZINC000067817212 221288381 /nfs/dbraw/zinc/28/83/81/221288381.db2.gz PSTAUOVDYTWTQG-MRXNPFEDSA-N 2 2 362.543 2.191 50 0 FEAALP COc1ccc2cc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)c(=O)[nH]c2c1 ZINC000067784182 221284938 /nfs/dbraw/zinc/28/49/38/221284938.db2.gz UZSULCKVEGBXPP-MRXNPFEDSA-N 2 2 371.481 2.081 50 0 FEAALP COc1ccc2cc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)c(=O)[nH]c2c1 ZINC000067784182 221284941 /nfs/dbraw/zinc/28/49/41/221284941.db2.gz UZSULCKVEGBXPP-MRXNPFEDSA-N 2 2 371.481 2.081 50 0 FEAALP Cc1ccc(CN2CCN(c3ccc(Cn4cc[nH+]c4)c[nH+]3)CC2=O)cc1 ZINC000077455533 132185891 /nfs/dbraw/zinc/18/58/91/132185891.db2.gz CWNVMLJFSFOGEW-UHFFFAOYSA-N 2 2 361.449 2.484 50 0 FEAALP CN(C)c1cc[nH+]c(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)n1 ZINC000095498515 132211937 /nfs/dbraw/zinc/21/19/37/132211937.db2.gz FIBFMMDTNSWBSN-MRXNPFEDSA-N 3 2 357.506 2.075 50 0 FEAALP CCn1cc[nH+]c1[C@H]1CCCN(c2nc(N3CCC(O)CC3)cc[nH+]2)C1 ZINC000095507762 132212836 /nfs/dbraw/zinc/21/28/36/132212836.db2.gz SUNSNXNXXKSCPZ-HNNXBMFYSA-N 2 2 356.474 2.038 50 0 FEAALP Cc1cc(N2CC[NH+](Cc3ccc4cc(F)ccc4n3)CC2)nc(N)[nH+]1 ZINC000216043486 132270753 /nfs/dbraw/zinc/27/07/53/132270753.db2.gz GNSMHBGIIPYNMD-UHFFFAOYSA-N 2 2 352.417 2.377 50 0 FEAALP COc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1C ZINC000091872939 542830414 /nfs/dbraw/zinc/83/04/14/542830414.db2.gz MTCCOMZZJCBSCV-PIKOESSRSA-N 2 2 362.514 2.153 50 0 FEAALP COc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1C ZINC000091872939 542830419 /nfs/dbraw/zinc/83/04/19/542830419.db2.gz MTCCOMZZJCBSCV-PIKOESSRSA-N 2 2 362.514 2.153 50 0 FEAALP COc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1C ZINC000091872939 542830424 /nfs/dbraw/zinc/83/04/24/542830424.db2.gz MTCCOMZZJCBSCV-PIKOESSRSA-N 2 2 362.514 2.153 50 0 FEAALP COc1ccc(C[NH+]2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)cc1C ZINC000091872939 542830429 /nfs/dbraw/zinc/83/04/29/542830429.db2.gz MTCCOMZZJCBSCV-PIKOESSRSA-N 2 2 362.514 2.153 50 0 FEAALP Cc1ccc(C[N@@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CCO)cc1 ZINC000072422301 136146106 /nfs/dbraw/zinc/14/61/06/136146106.db2.gz DTRKBIZOITVKKE-KRWDZBQOSA-N 2 2 351.454 2.340 50 0 FEAALP Cc1ccc(C[N@H+]2CCN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2CCO)cc1 ZINC000072422301 136146107 /nfs/dbraw/zinc/14/61/07/136146107.db2.gz DTRKBIZOITVKKE-KRWDZBQOSA-N 2 2 351.454 2.340 50 0 FEAALP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCn2cccc2)CC1)c1ccc(F)cc1 ZINC000095352836 542957474 /nfs/dbraw/zinc/95/74/74/542957474.db2.gz RJLJZOGIVVLGDG-LJQANCHMSA-N 2 2 358.461 2.074 50 0 FEAALP Cn1cc(C[N@H+](C)Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000095527923 542981927 /nfs/dbraw/zinc/98/19/27/542981927.db2.gz FASAWHCMLCGUQG-HXUWFJFHSA-N 2 2 372.513 2.278 50 0 FEAALP Cn1cc(C[N@@H+](C)Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000095527923 542981929 /nfs/dbraw/zinc/98/19/29/542981929.db2.gz FASAWHCMLCGUQG-HXUWFJFHSA-N 2 2 372.513 2.278 50 0 FEAALP C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131002 543205703 /nfs/dbraw/zinc/20/57/03/543205703.db2.gz VMDFICQAILTBRX-KRWDZBQOSA-N 2 2 361.534 2.117 50 0 FEAALP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106131002 543205707 /nfs/dbraw/zinc/20/57/07/543205707.db2.gz VMDFICQAILTBRX-KRWDZBQOSA-N 2 2 361.534 2.117 50 0 FEAALP CCn1cncc1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2CC)CC1 ZINC000096159695 222059492 /nfs/dbraw/zinc/05/94/92/222059492.db2.gz NUWCSYLLLVXYIY-UHFFFAOYSA-N 2 2 368.489 2.139 50 0 FEAALP CN(C)c1nc(Cl)c(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)s1 ZINC000097480139 222185111 /nfs/dbraw/zinc/18/51/11/222185111.db2.gz PVASRPOFYFNWEE-UHFFFAOYSA-N 2 2 355.895 2.086 50 0 FEAALP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000034668669 535638259 /nfs/dbraw/zinc/63/82/59/535638259.db2.gz FHNKTRZSBGSJOQ-INIZCTEOSA-N 2 2 364.921 2.015 50 0 FEAALP C[C@@H](Cc1ccc2c(c1)OCO2)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000215023676 548668547 /nfs/dbraw/zinc/66/85/47/548668547.db2.gz MFEFVSWEOUMMJI-INIZCTEOSA-N 2 2 356.470 2.145 50 0 FEAALP O=C1NC[C@@]2(CCC[N@H+](Cc3ccccc3OCCCn3cc[nH+]c3)C2)O1 ZINC000215326875 548671853 /nfs/dbraw/zinc/67/18/53/548671853.db2.gz GWDSRMRTYOHNRM-HXUWFJFHSA-N 2 2 370.453 2.427 50 0 FEAALP O=C1NC[C@@]2(CCC[N@@H+](Cc3ccccc3OCCCn3cc[nH+]c3)C2)O1 ZINC000215326875 548671855 /nfs/dbraw/zinc/67/18/55/548671855.db2.gz GWDSRMRTYOHNRM-HXUWFJFHSA-N 2 2 370.453 2.427 50 0 FEAALP c1ccc(OCC[NH+]2CCOCC2)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000216080790 548675733 /nfs/dbraw/zinc/67/57/33/548675733.db2.gz PDEFCCFDAGWHNT-HXUWFJFHSA-N 2 2 359.514 2.068 50 0 FEAALP c1ccc(OCC[NH+]2CCOCC2)c(CN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000216080790 548675738 /nfs/dbraw/zinc/67/57/38/548675738.db2.gz PDEFCCFDAGWHNT-HXUWFJFHSA-N 2 2 359.514 2.068 50 0 FEAALP Cn1cnnc1C1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000252497542 549669711 /nfs/dbraw/zinc/66/97/11/549669711.db2.gz QKBXASIJJHDDKJ-HXUWFJFHSA-N 2 2 369.513 2.286 50 0 FEAALP Cn1cnnc1C1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000252497542 549669716 /nfs/dbraw/zinc/66/97/16/549669716.db2.gz QKBXASIJJHDDKJ-HXUWFJFHSA-N 2 2 369.513 2.286 50 0 FEAALP C[N@@H+]1CCN(C(=O)c2cc(F)ccc2OCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000426477407 570606843 /nfs/dbraw/zinc/60/68/43/570606843.db2.gz OEODCYWSFJWECH-GOSISDBHSA-N 2 2 357.429 2.292 50 0 FEAALP C[N@H+]1CCN(C(=O)c2cc(F)ccc2OCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000426477407 570606844 /nfs/dbraw/zinc/60/68/44/570606844.db2.gz OEODCYWSFJWECH-GOSISDBHSA-N 2 2 357.429 2.292 50 0 FEAALP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cnc(C2CC[NH+](C)CC2)[nH]1 ZINC000685941695 571102035 /nfs/dbraw/zinc/10/20/35/571102035.db2.gz GCFDVQUDFOPZNB-INIZCTEOSA-N 2 2 356.474 2.029 50 0 FEAALP COc1ccccc1CN(C(=O)NCC1([NH+](C)C)CC[NH+](C)CC1)C1CC1 ZINC000426361170 571215459 /nfs/dbraw/zinc/21/54/59/571215459.db2.gz LFAFTEFFUFNJNQ-UHFFFAOYSA-N 2 2 374.529 2.395 50 0 FEAALP C[N@H+](C[C@@H](O)c1ccc(F)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000328600340 529944249 /nfs/dbraw/zinc/94/42/49/529944249.db2.gz XCUSUEPGMURPJJ-HXUWFJFHSA-N 2 2 358.461 2.288 50 0 FEAALP C[N@@H+](C[C@@H](O)c1ccc(F)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000328600340 529944251 /nfs/dbraw/zinc/94/42/51/529944251.db2.gz XCUSUEPGMURPJJ-HXUWFJFHSA-N 2 2 358.461 2.288 50 0 FEAALP CCn1ccnc1C[NH2+]Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012317349 539553909 /nfs/dbraw/zinc/55/39/09/539553909.db2.gz VLZVQXMWOZXLOQ-IBGZPJMESA-N 2 2 372.513 2.418 50 0 FEAALP COCC[N@H+](Cc1cccc(-c2nc(C)cc(=O)[nH]2)c1)C1CC[NH+](C)CC1 ZINC000023544130 539715521 /nfs/dbraw/zinc/71/55/21/539715521.db2.gz QHUKADBRTJATJG-UHFFFAOYSA-N 2 2 370.497 2.288 50 0 FEAALP COCC[N@@H+](Cc1cccc(-c2nc(C)cc(=O)[nH]2)c1)C1CC[NH+](C)CC1 ZINC000023544130 539715523 /nfs/dbraw/zinc/71/55/23/539715523.db2.gz QHUKADBRTJATJG-UHFFFAOYSA-N 2 2 370.497 2.288 50 0 FEAALP Cc1[nH+]c2ccccn2c1CN(C)C(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000299795413 223100252 /nfs/dbraw/zinc/10/02/52/223100252.db2.gz MBNAMFYPZYFURZ-UHFFFAOYSA-N 2 2 370.497 2.492 50 0 FEAALP Cc1ccc2[nH]c(CCC(=O)N3CCC[C@@](O)(C[NH+](C)C)C3)[nH+]c2c1C ZINC000072153035 541790823 /nfs/dbraw/zinc/79/08/23/541790823.db2.gz IMJRCOFDOSMSJE-HXUWFJFHSA-N 2 2 358.486 2.027 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2cc(C)ccc2C)[nH+]cn1 ZINC000072434078 541813760 /nfs/dbraw/zinc/81/37/60/541813760.db2.gz KWKKGAROCDPBBL-UHFFFAOYSA-N 2 2 350.426 2.429 50 0 FEAALP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000015076569 220147266 /nfs/dbraw/zinc/14/72/66/220147266.db2.gz RTXWFGZQIWDIFV-HNNXBMFYSA-N 2 2 373.950 2.377 50 0 FEAALP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000015076569 220147270 /nfs/dbraw/zinc/14/72/70/220147270.db2.gz RTXWFGZQIWDIFV-HNNXBMFYSA-N 2 2 373.950 2.377 50 0 FEAALP Cc1nc(C[NH+]2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)co1 ZINC000077437818 542381686 /nfs/dbraw/zinc/38/16/86/542381686.db2.gz GBNOMYDBRDTYRV-UHFFFAOYSA-N 2 2 358.490 2.477 50 0 FEAALP COc1cccc([C@@H](C)[NH2+]Cc2cn(CC[NH+]3CCOCC3)nc2C)c1 ZINC000065372819 221205415 /nfs/dbraw/zinc/20/54/15/221205415.db2.gz OLKHCFBUAOETLS-MRXNPFEDSA-N 2 2 358.486 2.383 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1cc3ccccc3oc1=O)CCC[N@@H+]2C ZINC000067741094 221278635 /nfs/dbraw/zinc/27/86/35/221278635.db2.gz VUOATQXGHAPHTJ-UHFFFAOYSA-N 2 2 369.465 2.035 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1cc3ccccc3oc1=O)CCC[N@H+]2C ZINC000067741094 221278637 /nfs/dbraw/zinc/27/86/37/221278637.db2.gz VUOATQXGHAPHTJ-UHFFFAOYSA-N 2 2 369.465 2.035 50 0 FEAALP C[N@H+](CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000067696917 221273745 /nfs/dbraw/zinc/27/37/45/221273745.db2.gz DJMFLYNQECMGJR-SFHVURJKSA-N 2 2 365.905 2.266 50 0 FEAALP C[N@@H+](CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)C1CC[NH+](C)CC1 ZINC000067696917 221273748 /nfs/dbraw/zinc/27/37/48/221273748.db2.gz DJMFLYNQECMGJR-SFHVURJKSA-N 2 2 365.905 2.266 50 0 FEAALP Cc1cccnc1C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071523781 221350712 /nfs/dbraw/zinc/35/07/12/221350712.db2.gz FBUSKNPXXAPNLJ-KRWDZBQOSA-N 2 2 356.514 2.345 50 0 FEAALP Cc1cccnc1C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071523781 221350714 /nfs/dbraw/zinc/35/07/14/221350714.db2.gz FBUSKNPXXAPNLJ-KRWDZBQOSA-N 2 2 356.514 2.345 50 0 FEAALP COc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)nc(N)[nH+]1 ZINC000095499467 132212010 /nfs/dbraw/zinc/21/20/10/132212010.db2.gz VWBSQIDMCQMFJY-LBPRGKRZSA-N 2 2 371.470 2.153 50 0 FEAALP Cc1ccc(N2CCN(c3cc(C4CC([NH3+])C4)[nH+]c(N)n3)CC2)cc1C ZINC000222515564 132277130 /nfs/dbraw/zinc/27/71/30/132277130.db2.gz QMQNDXHJNIAFMA-UHFFFAOYSA-N 2 2 352.486 2.207 50 0 FEAALP CC[C@@H](C(=O)N(C)C)[NH+]1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091288935 542804041 /nfs/dbraw/zinc/80/40/41/542804041.db2.gz ZEHHUJUYISOZMI-INIZCTEOSA-N 2 2 361.515 2.434 50 0 FEAALP Cc1nc[nH]c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC000092108036 542846867 /nfs/dbraw/zinc/84/68/67/542846867.db2.gz SMFUMDFXGKYQAH-ZWKOTPCHSA-N 2 2 370.501 2.126 50 0 FEAALP Cc1nc[nH]c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC000092108036 542846870 /nfs/dbraw/zinc/84/68/70/542846870.db2.gz SMFUMDFXGKYQAH-ZWKOTPCHSA-N 2 2 370.501 2.126 50 0 FEAALP Cc1nc(N2CC[C@@H]3[C@@H](CCC(=O)N3CC3CC[NH2+]CC3)C2)c(C)c(C)[nH+]1 ZINC000072432187 136146935 /nfs/dbraw/zinc/14/69/35/136146935.db2.gz PQDKTWFMDCCOAC-RBUKOAKNSA-N 2 2 371.529 2.219 50 0 FEAALP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)N[C@@H](C)c3ccccc3)CC2)CC1 ZINC000095432354 542970146 /nfs/dbraw/zinc/97/01/46/542970146.db2.gz PIBJZQSNCKLRNL-IBGZPJMESA-N 2 2 372.557 2.354 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccc(O)cc2)C1 ZINC000095518053 542979036 /nfs/dbraw/zinc/97/90/36/542979036.db2.gz MFRMFHKAHCPEQZ-SFHVURJKSA-N 2 2 370.497 2.489 50 0 FEAALP C[NH+]1CCC(O)(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)CC1 ZINC000097694645 222205597 /nfs/dbraw/zinc/20/55/97/222205597.db2.gz TYESIIDKDXVVFI-UHFFFAOYSA-N 2 2 370.497 2.410 50 0 FEAALP Cc1cccc(-c2ncc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)C3)cn2)c1 ZINC000097773039 222211782 /nfs/dbraw/zinc/21/17/82/222211782.db2.gz FJFQUPZHQGWVIC-FQEVSTJZSA-N 2 2 351.498 2.274 50 0 FEAALP Cc1cccc(-c2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)C3)cn2)c1 ZINC000097773039 222211784 /nfs/dbraw/zinc/21/17/84/222211784.db2.gz FJFQUPZHQGWVIC-FQEVSTJZSA-N 2 2 351.498 2.274 50 0 FEAALP CSc1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1 ZINC000104433971 222358376 /nfs/dbraw/zinc/35/83/76/222358376.db2.gz KTRJJAUJBOFKIP-LJQANCHMSA-N 2 2 363.571 2.371 50 0 FEAALP CSc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1 ZINC000104433971 222358378 /nfs/dbraw/zinc/35/83/78/222358378.db2.gz KTRJJAUJBOFKIP-LJQANCHMSA-N 2 2 363.571 2.371 50 0 FEAALP Cc1cc2[nH]c(CCC(=O)NCC[N@@H+]3CCCC[C@@H]3CO)[nH+]c2cc1C ZINC000299769085 534132670 /nfs/dbraw/zinc/13/26/70/534132670.db2.gz IYGCWXSAJVLQPI-MRXNPFEDSA-N 2 2 358.486 2.075 50 0 FEAALP Cc1cc2[nH]c(CCC(=O)NCC[N@H+]3CCCC[C@@H]3CO)[nH+]c2cc1C ZINC000299769085 534132672 /nfs/dbraw/zinc/13/26/72/534132672.db2.gz IYGCWXSAJVLQPI-MRXNPFEDSA-N 2 2 358.486 2.075 50 0 FEAALP CC(C)C[N@@H+]1CCCn2nc(CNC(=O)C[C@H](C)n3cc[nH+]c3)cc2C1 ZINC000082096739 519723187 /nfs/dbraw/zinc/72/31/87/519723187.db2.gz LJFOWSGSGXINLP-INIZCTEOSA-N 2 2 358.490 2.209 50 0 FEAALP CC(C)C[N@H+]1CCCn2nc(CNC(=O)C[C@H](C)n3cc[nH+]c3)cc2C1 ZINC000082096739 519723188 /nfs/dbraw/zinc/72/31/88/519723188.db2.gz LJFOWSGSGXINLP-INIZCTEOSA-N 2 2 358.490 2.209 50 0 FEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CCN(c2nc(NC)cc[nH+]2)CC1 ZINC000082108592 523189338 /nfs/dbraw/zinc/18/93/38/523189338.db2.gz FTBKFCVAPAKBFW-UHFFFAOYSA-N 2 2 370.505 2.110 50 0 FEAALP COc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000091426808 524451109 /nfs/dbraw/zinc/45/11/09/524451109.db2.gz ATJRWSKRBQHKFG-KRWDZBQOSA-N 2 2 366.469 2.448 50 0 FEAALP COc1ccccc1C[N@H+]1CCC[C@H](c2nnc(Cn3cc[nH+]c3)n2C)C1 ZINC000091426808 524451119 /nfs/dbraw/zinc/45/11/19/524451119.db2.gz ATJRWSKRBQHKFG-KRWDZBQOSA-N 2 2 366.469 2.448 50 0 FEAALP CSCc1ccc(N2C[C@H](CO)[C@H](C[N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)[nH+]c1 ZINC000091461754 525731704 /nfs/dbraw/zinc/73/17/04/525731704.db2.gz SVXMYGYHPGZBLG-CYGHRXIMSA-N 2 2 365.543 2.099 50 0 FEAALP CSCc1ccc(N2C[C@H](CO)[C@H](C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)[nH+]c1 ZINC000091461754 525731715 /nfs/dbraw/zinc/73/17/15/525731715.db2.gz SVXMYGYHPGZBLG-CYGHRXIMSA-N 2 2 365.543 2.099 50 0 FEAALP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000091425322 527392263 /nfs/dbraw/zinc/39/22/63/527392263.db2.gz STJVRUPETLHQDN-VQTJNVASSA-N 2 2 352.482 2.439 50 0 FEAALP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091425322 527392269 /nfs/dbraw/zinc/39/22/69/527392269.db2.gz STJVRUPETLHQDN-VQTJNVASSA-N 2 2 352.482 2.439 50 0 FEAALP CC(C)Cn1c[nH+]cc1CNC(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000220004172 534920321 /nfs/dbraw/zinc/92/03/21/534920321.db2.gz HPEFWQYECSFUDU-UHFFFAOYSA-N 2 2 355.486 2.221 50 0 FEAALP CCCc1cc(N2CC[C@@](O)(C[NH+]3CCOCC3)C(C)(C)C2)nc(C)[nH+]1 ZINC000091876412 535399391 /nfs/dbraw/zinc/39/93/91/535399391.db2.gz CWAGZRNSIYJGFN-HXUWFJFHSA-N 2 2 362.518 2.037 50 0 FEAALP CCOc1cc(C[N@@H+]2CCC(=O)NC[C@@H]2C)ccc1OCCn1cc[nH+]c1 ZINC000215929484 548674328 /nfs/dbraw/zinc/67/43/28/548674328.db2.gz BVDQGCGQAJTLIL-INIZCTEOSA-N 2 2 372.469 2.071 50 0 FEAALP CCOc1cc(C[N@H+]2CCC(=O)NC[C@@H]2C)ccc1OCCn1cc[nH+]c1 ZINC000215929484 548674332 /nfs/dbraw/zinc/67/43/32/548674332.db2.gz BVDQGCGQAJTLIL-INIZCTEOSA-N 2 2 372.469 2.071 50 0 FEAALP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245595857 548955204 /nfs/dbraw/zinc/95/52/04/548955204.db2.gz LLBMWKQZZQMYSU-IIDMSEBBSA-N 2 2 367.453 2.140 50 0 FEAALP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245595857 548955208 /nfs/dbraw/zinc/95/52/08/548955208.db2.gz LLBMWKQZZQMYSU-IIDMSEBBSA-N 2 2 367.453 2.140 50 0 FEAALP C[NH+](C)C1(CNC(=O)N2CC[C@H](c3ccc(F)cc3)C2)CC[NH+](C)CC1 ZINC000426598856 559738616 /nfs/dbraw/zinc/73/86/16/559738616.db2.gz LPTGSIPIJCLLCI-KRWDZBQOSA-N 2 2 362.493 2.351 50 0 FEAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NCC[NH2+]C)csc3C2)nc1 ZINC000426658282 559739754 /nfs/dbraw/zinc/73/97/54/559739754.db2.gz HIVDJYOZJYLBRT-UHFFFAOYSA-N 2 2 358.511 2.213 50 0 FEAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NCC[NH2+]C)csc3C2)nc1 ZINC000426658282 559739755 /nfs/dbraw/zinc/73/97/55/559739755.db2.gz HIVDJYOZJYLBRT-UHFFFAOYSA-N 2 2 358.511 2.213 50 0 FEAALP Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCC(O)CC4)n3C)C2)o1 ZINC000426473516 571227238 /nfs/dbraw/zinc/22/72/38/571227238.db2.gz JPYUWVBXQGRVTO-MRXNPFEDSA-N 2 2 373.501 2.053 50 0 FEAALP Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCC(O)CC4)n3C)C2)o1 ZINC000426473516 571227239 /nfs/dbraw/zinc/22/72/39/571227239.db2.gz JPYUWVBXQGRVTO-MRXNPFEDSA-N 2 2 373.501 2.053 50 0 FEAALP CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000584886801 571314006 /nfs/dbraw/zinc/31/40/06/571314006.db2.gz RVJYGENZPBOPAR-UHFFFAOYSA-N 2 2 363.412 2.494 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CC([NH2+]C[C@@H]3CCC[N@@H+](C(C)C)C3)C2)cc1 ZINC000584887884 571314149 /nfs/dbraw/zinc/31/41/49/571314149.db2.gz IRPBCGUMOLNDGW-KRWDZBQOSA-N 2 2 365.543 2.078 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CC([NH2+]C[C@@H]3CCC[N@H+](C(C)C)C3)C2)cc1 ZINC000584887884 571314150 /nfs/dbraw/zinc/31/41/50/571314150.db2.gz IRPBCGUMOLNDGW-KRWDZBQOSA-N 2 2 365.543 2.078 50 0 FEAALP Cn1cc[nH+]c1[C@@H](NC(=O)N1CCC([NH+]2CCSCC2)CC1)C1CC1 ZINC000584888470 571314228 /nfs/dbraw/zinc/31/42/28/571314228.db2.gz FKFQZXHOFKRANB-INIZCTEOSA-N 2 2 363.531 2.094 50 0 FEAALP CCn1ccnc1C[NH2+]Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012317350 539554339 /nfs/dbraw/zinc/55/43/39/539554339.db2.gz VLZVQXMWOZXLOQ-LJQANCHMSA-N 2 2 372.513 2.418 50 0 FEAALP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000299770800 223089721 /nfs/dbraw/zinc/08/97/21/223089721.db2.gz RNBZQWFLPGLKKW-SFHVURJKSA-N 2 2 357.458 2.447 50 0 FEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccc(C)cc3)[nH+]cn2)c1C ZINC000072116048 541783569 /nfs/dbraw/zinc/78/35/69/541783569.db2.gz MDNZPEBMGUGHPM-UHFFFAOYSA-N 2 2 350.426 2.429 50 0 FEAALP [NH3+]C1(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)CCC1 ZINC000072128195 541785432 /nfs/dbraw/zinc/78/54/32/541785432.db2.gz XUCWUEVAKCDUJY-BMGDILEWSA-N 2 2 361.436 2.235 50 0 FEAALP CCOC(=O)[C@]12CCC[NH2+][C@@H]1CC[N@H+](Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000072143806 541787438 /nfs/dbraw/zinc/78/74/38/541787438.db2.gz NVZVDSYMLLTMTL-MJGOQNOKSA-N 2 2 358.442 2.177 50 0 FEAALP CCOC(=O)[C@]12CCC[NH2+][C@@H]1CC[N@@H+](Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000072143806 541787440 /nfs/dbraw/zinc/78/74/40/541787440.db2.gz NVZVDSYMLLTMTL-MJGOQNOKSA-N 2 2 358.442 2.177 50 0 FEAALP Cc1ncc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cn1 ZINC000072420407 541808866 /nfs/dbraw/zinc/80/88/66/541808866.db2.gz ARYXTPJNPWXAIN-GOSISDBHSA-N 2 2 369.517 2.279 50 0 FEAALP Cc1ncc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCCC4)n3C)C2)cn1 ZINC000072420407 541808868 /nfs/dbraw/zinc/80/88/68/541808868.db2.gz ARYXTPJNPWXAIN-GOSISDBHSA-N 2 2 369.517 2.279 50 0 FEAALP CCn1c[nH+]cc1CNC(=O)C[C@H]1COCC[N@@H+]1C/C=C/c1ccccc1 ZINC000072433424 541813684 /nfs/dbraw/zinc/81/36/84/541813684.db2.gz IELRHGUSDKYDNX-AIADIJKESA-N 2 2 368.481 2.324 50 0 FEAALP CCn1c[nH+]cc1CNC(=O)C[C@H]1COCC[N@H+]1C/C=C/c1ccccc1 ZINC000072433424 541813687 /nfs/dbraw/zinc/81/36/87/541813687.db2.gz IELRHGUSDKYDNX-AIADIJKESA-N 2 2 368.481 2.324 50 0 FEAALP C[NH+]1CCC([N@@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012588751 220010785 /nfs/dbraw/zinc/01/07/85/220010785.db2.gz GXZLMJMMRBOIQL-IBGZPJMESA-N 2 2 353.470 2.369 50 0 FEAALP C[NH+]1CCC([N@H+]2CCC[C@H]2C(=O)Nc2cccc(-n3cccn3)c2)CC1 ZINC000012588751 220010788 /nfs/dbraw/zinc/01/07/88/220010788.db2.gz GXZLMJMMRBOIQL-IBGZPJMESA-N 2 2 353.470 2.369 50 0 FEAALP CCc1ccc(S(=O)(=O)N2CCC[C@H]([N@H+](C)CCC[NH+](C)C)C2)cc1 ZINC000015079353 220147724 /nfs/dbraw/zinc/14/77/24/220147724.db2.gz UUIWSEJWZCCMED-SFHVURJKSA-N 2 2 367.559 2.286 50 0 FEAALP CCc1ccc(S(=O)(=O)N2CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C2)cc1 ZINC000015079353 220147726 /nfs/dbraw/zinc/14/77/26/220147726.db2.gz UUIWSEJWZCCMED-SFHVURJKSA-N 2 2 367.559 2.286 50 0 FEAALP C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N2CCC[NH+](C)CC2)no1 ZINC000067758566 221282177 /nfs/dbraw/zinc/28/21/77/221282177.db2.gz IFTFXEUYAOECPW-UHFFFAOYSA-N 2 2 356.470 2.127 50 0 FEAALP C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)N2CCC[NH+](C)CC2)no1 ZINC000067758566 221282179 /nfs/dbraw/zinc/28/21/79/221282179.db2.gz IFTFXEUYAOECPW-UHFFFAOYSA-N 2 2 356.470 2.127 50 0 FEAALP C[NH+](CCc1ccccc1)Cc1cc(C(=O)N2CCC[N@H+](C)CC2)no1 ZINC000067758566 221282183 /nfs/dbraw/zinc/28/21/83/221282183.db2.gz IFTFXEUYAOECPW-UHFFFAOYSA-N 2 2 356.470 2.127 50 0 FEAALP C[NH+](CCc1ccccc1)Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)no1 ZINC000067758566 221282184 /nfs/dbraw/zinc/28/21/84/221282184.db2.gz IFTFXEUYAOECPW-UHFFFAOYSA-N 2 2 356.470 2.127 50 0 FEAALP Cc1[nH+]c[nH]c1CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071751906 221363536 /nfs/dbraw/zinc/36/35/36/221363536.db2.gz KOYVSLQSGHHKAU-QGZVFWFLSA-N 2 2 359.518 2.017 50 0 FEAALP Cc1[nH+]c[nH]c1CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071751906 221363538 /nfs/dbraw/zinc/36/35/38/221363538.db2.gz KOYVSLQSGHHKAU-QGZVFWFLSA-N 2 2 359.518 2.017 50 0 FEAALP COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000071681208 221354365 /nfs/dbraw/zinc/35/43/65/221354365.db2.gz HUAAETDIJKSVHS-CQSZACIVSA-N 2 2 369.469 2.363 50 0 FEAALP CCc1cc(N2CCC(c3nnc(C[NH+]4CCCC4)n3C)CC2)nc(C)[nH+]1 ZINC000077299329 132179936 /nfs/dbraw/zinc/17/99/36/132179936.db2.gz AGRKTZWJICQDMJ-UHFFFAOYSA-N 2 2 369.517 2.456 50 0 FEAALP COCCn1cc[nH+]c1C1CC[NH+](Cc2ccc(C(=O)N(C)C)o2)CC1 ZINC000091830639 542827239 /nfs/dbraw/zinc/82/72/39/542827239.db2.gz CLORUFPJXOUTGV-UHFFFAOYSA-N 2 2 360.458 2.204 50 0 FEAALP CC(C)(CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2)[NH+]1CCOCC1 ZINC000091892632 542829938 /nfs/dbraw/zinc/82/99/38/542829938.db2.gz XFSFMFLZCVLGRZ-VQTJNVASSA-N 2 2 358.530 2.089 50 0 FEAALP CC(C)(CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccncc1)C2)[NH+]1CCOCC1 ZINC000091892632 542829942 /nfs/dbraw/zinc/82/99/42/542829942.db2.gz XFSFMFLZCVLGRZ-VQTJNVASSA-N 2 2 358.530 2.089 50 0 FEAALP Cc1c[nH+]c(C)nc1N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071614113 136139558 /nfs/dbraw/zinc/13/95/58/136139558.db2.gz XDYXYEYFPLTQSK-INIZCTEOSA-N 2 2 357.502 2.053 50 0 FEAALP Cc1c[nH+]c(C)nc1N1CCC([N@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000071614113 136139559 /nfs/dbraw/zinc/13/95/59/136139559.db2.gz XDYXYEYFPLTQSK-INIZCTEOSA-N 2 2 357.502 2.053 50 0 FEAALP Cc1cccc(N2CC[NH+](CC(=O)N3CCC(c4[nH]cc[nH+]4)CC3)CC2)c1 ZINC000072477780 136149608 /nfs/dbraw/zinc/14/96/08/136149608.db2.gz KDXMZLFORLWMGU-UHFFFAOYSA-N 2 2 367.497 2.246 50 0 FEAALP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095357220 542959132 /nfs/dbraw/zinc/95/91/32/542959132.db2.gz MCDYWTCRBLAPBE-GOSISDBHSA-N 2 2 368.481 2.380 50 0 FEAALP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095357220 542959136 /nfs/dbraw/zinc/95/91/36/542959136.db2.gz MCDYWTCRBLAPBE-GOSISDBHSA-N 2 2 368.481 2.380 50 0 FEAALP O=C(C[NH+]1CCCC1)N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095367013 542960677 /nfs/dbraw/zinc/96/06/77/542960677.db2.gz JZFRGWSILJXYBF-OAHLLOKOSA-N 2 2 359.499 2.190 50 0 FEAALP COc1ccc([C@@H]2CN(c3cc(N)[nH+]cn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095386425 542966283 /nfs/dbraw/zinc/96/62/83/542966283.db2.gz LJRNSFGKRMQPDK-PWIZWCRZSA-N 2 2 351.454 2.134 50 0 FEAALP C[C@@H](Cn1cccn1)C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095363788 221864377 /nfs/dbraw/zinc/86/43/77/221864377.db2.gz SQHGHQOHKIFARP-KRWDZBQOSA-N 2 2 372.517 2.074 50 0 FEAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2cnn(-c3cccc(F)c3)c2)CC1 ZINC000097634907 222200564 /nfs/dbraw/zinc/20/05/64/222200564.db2.gz QDNSUFYTGAKGFX-UHFFFAOYSA-N 2 2 355.417 2.235 50 0 FEAALP c1nc2c([nH]1)C[N@H+](Cc1ccc(OCCC[NH+]3CCOCC3)cc1)CC2 ZINC000097675503 222204555 /nfs/dbraw/zinc/20/45/55/222204555.db2.gz BHTVHGATEIPEAZ-UHFFFAOYSA-N 2 2 356.470 2.069 50 0 FEAALP c1nc2c([nH]1)C[N@@H+](Cc1ccc(OCCC[NH+]3CCOCC3)cc1)CC2 ZINC000097675503 222204558 /nfs/dbraw/zinc/20/45/58/222204558.db2.gz BHTVHGATEIPEAZ-UHFFFAOYSA-N 2 2 356.470 2.069 50 0 FEAALP CC[NH+](CC)Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)o1 ZINC000042481079 535601858 /nfs/dbraw/zinc/60/18/58/535601858.db2.gz KPMNEICLSRLTOF-UHFFFAOYSA-N 2 2 372.469 2.283 50 0 FEAALP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000155435873 545525860 /nfs/dbraw/zinc/52/58/60/545525860.db2.gz CFWUIOFAGVXHEG-LSTHTHJFSA-N 2 2 359.514 2.029 50 0 FEAALP CC(C)N1CCC[C@@H]([N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC000192614747 548367968 /nfs/dbraw/zinc/36/79/68/548367968.db2.gz PGOFXIJWRKKSGV-HXUWFJFHSA-N 2 2 358.530 2.420 50 0 FEAALP CC(C)N1CCC[C@@H]([N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)C1=O ZINC000192614747 548367971 /nfs/dbraw/zinc/36/79/71/548367971.db2.gz PGOFXIJWRKKSGV-HXUWFJFHSA-N 2 2 358.530 2.420 50 0 FEAALP Cc1cc(C)c(C[N@@H+]2CCO[C@@H](C(N)=O)C2)cc1C[NH+]1CCC(C)CC1 ZINC000214976255 548668562 /nfs/dbraw/zinc/66/85/62/548668562.db2.gz CRGHPZKYTDOCKH-HXUWFJFHSA-N 2 2 359.514 2.221 50 0 FEAALP Cc1cc(C)c(C[N@H+]2CCO[C@@H](C(N)=O)C2)cc1C[NH+]1CCC(C)CC1 ZINC000214976255 548668564 /nfs/dbraw/zinc/66/85/64/548668564.db2.gz CRGHPZKYTDOCKH-HXUWFJFHSA-N 2 2 359.514 2.221 50 0 FEAALP CC(=O)N1CCC[N@H+](Cc2ccccc2OCCCn2cc[nH+]c2)CC1 ZINC000216196916 548676280 /nfs/dbraw/zinc/67/62/80/548676280.db2.gz CCDPUDBXXFHZCC-UHFFFAOYSA-N 2 2 356.470 2.406 50 0 FEAALP CC(=O)N1CCC[N@@H+](Cc2ccccc2OCCCn2cc[nH+]c2)CC1 ZINC000216196916 548676284 /nfs/dbraw/zinc/67/62/84/548676284.db2.gz CCDPUDBXXFHZCC-UHFFFAOYSA-N 2 2 356.470 2.406 50 0 FEAALP Cc1[nH+]ccn1CC[C@@H](NC(=O)CC[NH+]1CCOCC1)c1ccccc1 ZINC000221257083 548703724 /nfs/dbraw/zinc/70/37/24/548703724.db2.gz JXCBMHZEDLXXJP-LJQANCHMSA-N 2 2 356.470 2.161 50 0 FEAALP O=C1[C@H]([N@H+]2C[C@H]3[C@@H](C[NH+]4CCCC[C@@H]34)C2)CCN1c1c(F)cccc1F ZINC000252569085 549674845 /nfs/dbraw/zinc/67/48/45/549674845.db2.gz VYQAIBMJIACFCN-DFEHZGFQSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([N@@H+]2C[C@H]3[C@@H](C[NH+]4CCCC[C@@H]34)C2)CCN1c1c(F)cccc1F ZINC000252569085 549674848 /nfs/dbraw/zinc/67/48/48/549674848.db2.gz VYQAIBMJIACFCN-DFEHZGFQSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([NH+]2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)CCN1c1c(F)cccc1F ZINC000252569085 549674851 /nfs/dbraw/zinc/67/48/51/549674851.db2.gz VYQAIBMJIACFCN-DFEHZGFQSA-N 2 2 361.436 2.486 50 0 FEAALP O=C1[C@H]([NH+]2C[C@H]3[C@H](C2)C[N@H+]2CCCC[C@@H]32)CCN1c1c(F)cccc1F ZINC000252569085 549674853 /nfs/dbraw/zinc/67/48/53/549674853.db2.gz VYQAIBMJIACFCN-DFEHZGFQSA-N 2 2 361.436 2.486 50 0 FEAALP Cc1nnc([C@H]2CC3(C[N@@H+]2Cc2cccnc2)CC[NH+](CCCO)CC3)o1 ZINC000257190998 549714653 /nfs/dbraw/zinc/71/46/53/549714653.db2.gz OQIMGINRCNGJME-GOSISDBHSA-N 2 2 371.485 2.185 50 0 FEAALP Cc1nnc([C@H]2CC3(C[N@H+]2Cc2cccnc2)CC[NH+](CCCO)CC3)o1 ZINC000257190998 549714658 /nfs/dbraw/zinc/71/46/58/549714658.db2.gz OQIMGINRCNGJME-GOSISDBHSA-N 2 2 371.485 2.185 50 0 FEAALP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2nc(NC)cc(C)[nH+]2)c1 ZINC000426536528 559737291 /nfs/dbraw/zinc/73/72/91/559737291.db2.gz RERWDNFFFLUNHV-QGZVFWFLSA-N 2 2 353.470 2.708 50 0 FEAALP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2nc(NC)cc(C)[nH+]2)c1 ZINC000426536528 559737292 /nfs/dbraw/zinc/73/72/92/559737292.db2.gz RERWDNFFFLUNHV-QGZVFWFLSA-N 2 2 353.470 2.708 50 0 FEAALP COc1cccc(C[NH+]2CCN(C(=O)NC[C@H](C)[NH+]3CCCC3)CC2)c1 ZINC000534589530 562537561 /nfs/dbraw/zinc/53/75/61/562537561.db2.gz YZFXGMAGMBADJS-KRWDZBQOSA-N 2 2 360.502 2.007 50 0 FEAALP O=C(NCC1(Cn2cc[nH+]c2)CC1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000534671605 562539963 /nfs/dbraw/zinc/53/99/63/562539963.db2.gz VDSKSMSVSFCASQ-UHFFFAOYSA-N 2 2 355.442 2.311 50 0 FEAALP CCOc1ccc(C[N@@H+]2CCc3nc(N4CC[NH+](C)CC4)ncc3C2)cc1 ZINC000015779382 571351725 /nfs/dbraw/zinc/35/17/25/571351725.db2.gz KHDXBAVDJHPMFD-UHFFFAOYSA-N 2 2 367.497 2.185 50 0 FEAALP CCOc1ccc(C[N@H+]2CCc3nc(N4CC[NH+](C)CC4)ncc3C2)cc1 ZINC000015779382 571351726 /nfs/dbraw/zinc/35/17/26/571351726.db2.gz KHDXBAVDJHPMFD-UHFFFAOYSA-N 2 2 367.497 2.185 50 0 FEAALP COCCn1c[nH+]cc1CNC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000670449233 571352106 /nfs/dbraw/zinc/35/21/06/571352106.db2.gz VXPRSJSIZCYRDH-UHFFFAOYSA-N 2 2 356.470 2.025 50 0 FEAALP COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000020256905 539673286 /nfs/dbraw/zinc/67/32/86/539673286.db2.gz XTJNADRCIKHDHR-FQEVSTJZSA-N 2 2 372.557 2.376 50 0 FEAALP COc1ccccc1N1CCN([C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000020256905 539673289 /nfs/dbraw/zinc/67/32/89/539673289.db2.gz XTJNADRCIKHDHR-FQEVSTJZSA-N 2 2 372.557 2.376 50 0 FEAALP OCC[NH2+]CCC[NH2+]Cc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000261491777 223074516 /nfs/dbraw/zinc/07/45/16/223074516.db2.gz JAWFTQXGHFFDJX-UHFFFAOYSA-N 2 2 365.481 2.055 50 0 FEAALP Cc1ccc(C)c(C[N@@H+]2C[C@H]3OC(=O)N(CCC[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000067540825 541477158 /nfs/dbraw/zinc/47/71/58/541477158.db2.gz PMSMEEHJACKHIB-VQTJNVASSA-N 2 2 373.497 2.031 50 0 FEAALP Cc1ccc(C)c(C[N@H+]2C[C@H]3OC(=O)N(CCC[NH+]4CCOCC4)[C@H]3C2)c1 ZINC000067540825 541477160 /nfs/dbraw/zinc/47/71/60/541477160.db2.gz PMSMEEHJACKHIB-VQTJNVASSA-N 2 2 373.497 2.031 50 0 FEAALP C[C@@H]1CCCC[N@@H+]1C1CN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000072149362 541789124 /nfs/dbraw/zinc/78/91/24/541789124.db2.gz HPKBLLIIEVSFNA-LJQANCHMSA-N 2 2 373.541 2.456 50 0 FEAALP C[C@@H]1CCCC[N@H+]1C1CN(Cc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000072149362 541789127 /nfs/dbraw/zinc/78/91/27/541789127.db2.gz HPKBLLIIEVSFNA-LJQANCHMSA-N 2 2 373.541 2.456 50 0 FEAALP COc1ccccc1[C@@H]1CN(c2nc(N)cc[nH+]2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072156506 541791538 /nfs/dbraw/zinc/79/15/38/541791538.db2.gz WZTLTMPWBYOQJN-KFKAGJAMSA-N 2 2 351.454 2.134 50 0 FEAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000072422566 541809207 /nfs/dbraw/zinc/80/92/07/541809207.db2.gz BRLHCJSCNJXKQL-CQSZACIVSA-N 2 2 359.522 2.277 50 0 FEAALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)n[nH]2)C1 ZINC000072422566 541809211 /nfs/dbraw/zinc/80/92/11/541809211.db2.gz BRLHCJSCNJXKQL-CQSZACIVSA-N 2 2 359.522 2.277 50 0 FEAALP C[NH+](C)C1(CNC(=O)c2ccc(CCC(C)(C)O)cc2)CC[NH+](C)CC1 ZINC000072457290 541816967 /nfs/dbraw/zinc/81/69/67/541816967.db2.gz SAFSNPQVDHRSMS-UHFFFAOYSA-N 2 2 361.530 2.146 50 0 FEAALP Cc1ncsc1CCC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000012713979 220020836 /nfs/dbraw/zinc/02/08/36/220020836.db2.gz FHQRUOCLQJSMFI-HNNXBMFYSA-N 2 2 350.532 2.059 50 0 FEAALP Cc1ncsc1CCC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000012713979 220020838 /nfs/dbraw/zinc/02/08/38/220020838.db2.gz FHQRUOCLQJSMFI-HNNXBMFYSA-N 2 2 350.532 2.059 50 0 FEAALP C[N@H+](CCCC[NH+]1CCOCC1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012717517 220021211 /nfs/dbraw/zinc/02/12/11/220021211.db2.gz IUFMXEUHJRSODJ-UHFFFAOYSA-N 2 2 374.441 2.010 50 0 FEAALP C[N@@H+](CCCC[NH+]1CCOCC1)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012717517 220021214 /nfs/dbraw/zinc/02/12/14/220021214.db2.gz IUFMXEUHJRSODJ-UHFFFAOYSA-N 2 2 374.441 2.010 50 0 FEAALP CCOC(=O)C[NH+]1CCC2(CC1)c1ccccc1[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000019867762 220304293 /nfs/dbraw/zinc/30/42/93/220304293.db2.gz QWMSKSVZSMANHM-UXHICEINSA-N 2 2 358.482 2.095 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C2)cc1 ZINC000020204924 220317728 /nfs/dbraw/zinc/31/77/28/220317728.db2.gz APPHQUKBRPXMLW-KRWDZBQOSA-N 2 2 353.532 2.032 50 0 FEAALP Cc1ccc(S(=O)(=O)N2CCC[C@H]([N@H+](C)CCC[NH+](C)C)C2)cc1 ZINC000020204924 220317730 /nfs/dbraw/zinc/31/77/30/220317730.db2.gz APPHQUKBRPXMLW-KRWDZBQOSA-N 2 2 353.532 2.032 50 0 FEAALP COC(=O)[C@@]12C[NH+](Cc3cccnc3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000063857289 221143092 /nfs/dbraw/zinc/14/30/92/221143092.db2.gz PLIDIGXOIKEGTD-FPOVZHCZSA-N 2 2 351.450 2.189 50 0 FEAALP COC(=O)[C@@]12C[NH+](Cc3cccnc3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000063857289 221143094 /nfs/dbraw/zinc/14/30/94/221143094.db2.gz PLIDIGXOIKEGTD-FPOVZHCZSA-N 2 2 351.450 2.189 50 0 FEAALP COC(=O)[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+](Cc1cccnc1)C2 ZINC000063857289 221143097 /nfs/dbraw/zinc/14/30/97/221143097.db2.gz PLIDIGXOIKEGTD-FPOVZHCZSA-N 2 2 351.450 2.189 50 0 FEAALP COC(=O)[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000063857289 221143101 /nfs/dbraw/zinc/14/31/01/221143101.db2.gz PLIDIGXOIKEGTD-FPOVZHCZSA-N 2 2 351.450 2.189 50 0 FEAALP CC(C)Nc1cc(NCc2cccnc2N2CCC[N@H+](C)CC2)nc[nH+]1 ZINC000067726800 221277304 /nfs/dbraw/zinc/27/73/04/221277304.db2.gz YNDZFMLBTAEDKQ-UHFFFAOYSA-N 2 2 355.490 2.446 50 0 FEAALP CC(C)Nc1cc(NCc2cccnc2N2CCC[N@@H+](C)CC2)nc[nH+]1 ZINC000067726800 221277307 /nfs/dbraw/zinc/27/73/07/221277307.db2.gz YNDZFMLBTAEDKQ-UHFFFAOYSA-N 2 2 355.490 2.446 50 0 FEAALP CC(C)Nc1cc(NCc2cccnc2N2CCC[N@H+](C)CC2)[nH+]cn1 ZINC000067726800 221277309 /nfs/dbraw/zinc/27/73/09/221277309.db2.gz YNDZFMLBTAEDKQ-UHFFFAOYSA-N 2 2 355.490 2.446 50 0 FEAALP CC(C)Nc1cc(NCc2cccnc2N2CCC[N@@H+](C)CC2)[nH+]cn1 ZINC000067726800 221277311 /nfs/dbraw/zinc/27/73/11/221277311.db2.gz YNDZFMLBTAEDKQ-UHFFFAOYSA-N 2 2 355.490 2.446 50 0 FEAALP C[N@H+](Cc1cc(C(=O)N2CC[NH+]3CCC[C@@H]3C2)no1)Cc1ccccc1 ZINC000067774167 221284265 /nfs/dbraw/zinc/28/42/65/221284265.db2.gz JRWPPJHDABMOPZ-QGZVFWFLSA-N 2 2 354.454 2.227 50 0 FEAALP C[N@@H+](Cc1cc(C(=O)N2CC[NH+]3CCC[C@@H]3C2)no1)Cc1ccccc1 ZINC000067774167 221284268 /nfs/dbraw/zinc/28/42/68/221284268.db2.gz JRWPPJHDABMOPZ-QGZVFWFLSA-N 2 2 354.454 2.227 50 0 FEAALP C[NH+](Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)no1)Cc1ccccc1 ZINC000067774167 221284270 /nfs/dbraw/zinc/28/42/70/221284270.db2.gz JRWPPJHDABMOPZ-QGZVFWFLSA-N 2 2 354.454 2.227 50 0 FEAALP C[NH+](Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)no1)Cc1ccccc1 ZINC000067774167 221284272 /nfs/dbraw/zinc/28/42/72/221284272.db2.gz JRWPPJHDABMOPZ-QGZVFWFLSA-N 2 2 354.454 2.227 50 0 FEAALP CCc1cc(N2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)nc(C)[nH+]1 ZINC000077407175 132184151 /nfs/dbraw/zinc/18/41/51/132184151.db2.gz LREYXBRLJSKIMY-INIZCTEOSA-N 2 2 369.517 2.456 50 0 FEAALP CCn1c(Cn2cc[nH+]c2C)nnc1C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000092098995 132206226 /nfs/dbraw/zinc/20/62/26/132206226.db2.gz HABLZDWDGJFPQN-UHFFFAOYSA-N 2 2 366.473 2.334 50 0 FEAALP Cc1cc(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)nc(N)[nH+]1 ZINC000095373326 132209011 /nfs/dbraw/zinc/20/90/11/132209011.db2.gz KZZUOMOQCNRQCR-ZDUSSCGKSA-N 2 2 355.471 2.453 50 0 FEAALP CN(Cc1c[nH+]c2ccccn12)C(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000219524932 132274373 /nfs/dbraw/zinc/27/43/73/132274373.db2.gz VGRXPNFBNLRVMS-UHFFFAOYSA-N 2 2 363.465 2.358 50 0 FEAALP OCCNc1[nH+]c2ccccc2n1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000003348509 132385212 /nfs/dbraw/zinc/38/52/12/132385212.db2.gz QXYVBCXBLMUKCB-UHFFFAOYSA-N 2 2 369.444 2.359 50 0 FEAALP CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000091586627 542814453 /nfs/dbraw/zinc/81/44/53/542814453.db2.gz PAXFAFJNCJXOTF-IEBWSBKVSA-N 2 2 353.470 2.450 50 0 FEAALP CN(C)C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000091586627 542814455 /nfs/dbraw/zinc/81/44/55/542814455.db2.gz PAXFAFJNCJXOTF-IEBWSBKVSA-N 2 2 353.470 2.450 50 0 FEAALP CCc1c[nH+]c(C)nc1N1CCC[C@H](c2nnc(C[NH+]3CCCC3)n2C)C1 ZINC000072438314 136147460 /nfs/dbraw/zinc/14/74/60/136147460.db2.gz YIEGTWNBHHZAPC-KRWDZBQOSA-N 2 2 369.517 2.456 50 0 FEAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2ccc(CO)cc2)CC1 ZINC000095362956 542960329 /nfs/dbraw/zinc/96/03/29/542960329.db2.gz YIHVWNDKXWJMFU-UHFFFAOYSA-N 2 2 370.497 2.347 50 0 FEAALP C[N@@H+]1CCC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)C1 ZINC000095497387 542974019 /nfs/dbraw/zinc/97/40/19/542974019.db2.gz ZYZMYCARZDLPTN-INIZCTEOSA-N 2 2 373.526 2.436 50 0 FEAALP C[N@H+]1CCC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3cscn3)CC2)C1 ZINC000095497387 542974021 /nfs/dbraw/zinc/97/40/21/542974021.db2.gz ZYZMYCARZDLPTN-INIZCTEOSA-N 2 2 373.526 2.436 50 0 FEAALP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)C1 ZINC000095509049 542977061 /nfs/dbraw/zinc/97/70/61/542977061.db2.gz VJKCNGQQQKNHCX-ZWKOTPCHSA-N 2 2 353.470 2.160 50 0 FEAALP Cc1c2cccc(C)c2n(C)c1C(=O)N1CC[N@H+](C)C2(CC[NH2+]CC2)C1 ZINC000097393975 222179432 /nfs/dbraw/zinc/17/94/32/222179432.db2.gz WPGCUVIHVNDPSU-UHFFFAOYSA-N 2 2 354.498 2.305 50 0 FEAALP Cc1c2cccc(C)c2n(C)c1C(=O)N1CC[N@@H+](C)C2(CC[NH2+]CC2)C1 ZINC000097393975 222179434 /nfs/dbraw/zinc/17/94/34/222179434.db2.gz WPGCUVIHVNDPSU-UHFFFAOYSA-N 2 2 354.498 2.305 50 0 FEAALP CCn1ccnc1C[NH+]1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1 ZINC000091603283 523530201 /nfs/dbraw/zinc/53/02/01/523530201.db2.gz LDNNHHUCMXZFMT-UHFFFAOYSA-N 2 2 370.501 2.073 50 0 FEAALP CCn1ccnc1C[NH+]1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1 ZINC000091603283 523530213 /nfs/dbraw/zinc/53/02/13/523530213.db2.gz LDNNHHUCMXZFMT-UHFFFAOYSA-N 2 2 370.501 2.073 50 0 FEAALP CCCc1c[nH+]c(C)nc1N1CC[NH2+][C@H](C(=O)Nc2ccc(F)cc2)C1 ZINC000072149394 535436627 /nfs/dbraw/zinc/43/66/27/535436627.db2.gz UVPCLRDYDZODDA-KRWDZBQOSA-N 2 2 357.433 2.294 50 0 FEAALP COc1ccccc1C1CC[NH+](Cc2nnc([C@H]3C[C@@H]([NH3+])C3)n2C)CC1 ZINC000222529458 548708986 /nfs/dbraw/zinc/70/89/86/548708986.db2.gz LWZOFEIFDCJUBM-WKILWMFISA-N 2 2 355.486 2.408 50 0 FEAALP Cn1c(Cn2c3ccccc3[nH+]c2N2CCCC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000223282355 548718503 /nfs/dbraw/zinc/71/85/03/548718503.db2.gz YZMYRSSYBAPANB-HDJSIYSDSA-N 2 2 351.458 2.018 50 0 FEAALP c1cc(OCCC[NH+]2CCOCC2)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000244900312 548899419 /nfs/dbraw/zinc/89/94/19/548899419.db2.gz ZZXYBHINCVMHCR-UXHICEINSA-N 3 2 359.514 2.114 50 0 FEAALP c1cc(OCCC[NH+]2CCOCC2)ccc1C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000244900312 548899421 /nfs/dbraw/zinc/89/94/21/548899421.db2.gz ZZXYBHINCVMHCR-UXHICEINSA-N 3 2 359.514 2.114 50 0 FEAALP Cc1nnc([C@H]2CCC[N@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC000252481993 549667773 /nfs/dbraw/zinc/66/77/73/549667773.db2.gz CWMDCGCUOYUFQP-FQEVSTJZSA-N 2 2 368.529 2.110 50 0 FEAALP Cc1nnc([C@H]2CCC[N@@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)[nH]1 ZINC000252481993 549667776 /nfs/dbraw/zinc/66/77/76/549667776.db2.gz CWMDCGCUOYUFQP-FQEVSTJZSA-N 2 2 368.529 2.110 50 0 FEAALP Cc1n[nH]c([C@H]2CCC[N@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000252481993 549667780 /nfs/dbraw/zinc/66/77/80/549667780.db2.gz CWMDCGCUOYUFQP-FQEVSTJZSA-N 2 2 368.529 2.110 50 0 FEAALP Cc1n[nH]c([C@H]2CCC[N@@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000252481993 549667783 /nfs/dbraw/zinc/66/77/83/549667783.db2.gz CWMDCGCUOYUFQP-FQEVSTJZSA-N 2 2 368.529 2.110 50 0 FEAALP Cc1nc([C@H]2CCC[N@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC000252481993 549667787 /nfs/dbraw/zinc/66/77/87/549667787.db2.gz CWMDCGCUOYUFQP-FQEVSTJZSA-N 2 2 368.529 2.110 50 0 FEAALP Cc1nc([C@H]2CCC[N@@H+](CCN3CC[NH+](Cc4ccccc4)CC3)C2)n[nH]1 ZINC000252481993 549667791 /nfs/dbraw/zinc/66/77/91/549667791.db2.gz CWMDCGCUOYUFQP-FQEVSTJZSA-N 2 2 368.529 2.110 50 0 FEAALP CCn1c(C[N@@H+]2CCCOc3c(cccc3OC)C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252550771 549674188 /nfs/dbraw/zinc/67/41/88/549674188.db2.gz SXJYANMQMJBEIF-IYBDPMFKSA-N 2 2 371.485 2.296 50 0 FEAALP CCn1c(C[N@H+]2CCCOc3c(cccc3OC)C2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000252550771 549674192 /nfs/dbraw/zinc/67/41/92/549674192.db2.gz SXJYANMQMJBEIF-IYBDPMFKSA-N 2 2 371.485 2.296 50 0 FEAALP CNc1cc(C)[nH+]c(-c2ccc(C(=O)NCC[C@H]3CCC[N@@H+]3C)cc2)n1 ZINC000426545206 559737415 /nfs/dbraw/zinc/73/74/15/559737415.db2.gz UJPGTYCVFDEWSY-QGZVFWFLSA-N 2 2 353.470 2.130 50 0 FEAALP CNc1cc(C)[nH+]c(-c2ccc(C(=O)NCC[C@H]3CCC[N@H+]3C)cc2)n1 ZINC000426545206 559737416 /nfs/dbraw/zinc/73/74/16/559737416.db2.gz UJPGTYCVFDEWSY-QGZVFWFLSA-N 2 2 353.470 2.130 50 0 FEAALP CCn1c[nH+]cc1CNC(=O)Nc1ccc(C)c(NC(=O)C[NH+](C)C)c1 ZINC000426646993 559739650 /nfs/dbraw/zinc/73/96/50/559739650.db2.gz GKHWFSJJYBSPJJ-UHFFFAOYSA-N 2 2 358.446 2.033 50 0 FEAALP Cc1ccc(-c2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)c(N)[nH+]1 ZINC000426684582 559740309 /nfs/dbraw/zinc/74/03/09/559740309.db2.gz WTXLRDLWSQRDGN-UHFFFAOYSA-N 2 2 354.454 2.091 50 0 FEAALP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)N(CC)CC2CCOCC2)c(C)[nH+]1 ZINC000072163232 541792892 /nfs/dbraw/zinc/79/28/92/541792892.db2.gz VFLODEGBUXJFRB-IRXDYDNUSA-N 2 2 362.518 2.201 50 0 FEAALP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)N(CC)CC2CCOCC2)c(C)[nH+]1 ZINC000072163232 541792895 /nfs/dbraw/zinc/79/28/95/541792895.db2.gz VFLODEGBUXJFRB-IRXDYDNUSA-N 2 2 362.518 2.201 50 0 FEAALP O=C(C[C@H]1COCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)N1CCCC1 ZINC000072426450 541811225 /nfs/dbraw/zinc/81/12/25/541811225.db2.gz UDTLHBVXJYGCGO-IBGZPJMESA-N 2 2 354.454 2.086 50 0 FEAALP O=C(C[C@H]1COCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1)N1CCCC1 ZINC000072426450 541811229 /nfs/dbraw/zinc/81/12/29/541811229.db2.gz UDTLHBVXJYGCGO-IBGZPJMESA-N 2 2 354.454 2.086 50 0 FEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC000072410374 541807230 /nfs/dbraw/zinc/80/72/30/541807230.db2.gz MISKXIFFCODPTK-GOSISDBHSA-N 3 2 374.577 2.322 50 0 FEAALP Cn1c(C[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC000072410374 541807235 /nfs/dbraw/zinc/80/72/35/541807235.db2.gz MISKXIFFCODPTK-GOSISDBHSA-N 3 2 374.577 2.322 50 0 FEAALP Cc1[nH+]ccn1-c1cc(NCCNC(=O)c2ccc(C)cc2C)[nH+]cn1 ZINC000077128463 542346433 /nfs/dbraw/zinc/34/64/33/542346433.db2.gz ZTYTUVKNFZLJAD-UHFFFAOYSA-N 2 2 350.426 2.429 50 0 FEAALP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)CC1 ZINC000019810057 220299555 /nfs/dbraw/zinc/29/95/55/220299555.db2.gz FUMIRYSOGGKJAU-UHFFFAOYSA-N 2 2 353.869 2.465 50 0 FEAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC000077376855 542374357 /nfs/dbraw/zinc/37/43/57/542374357.db2.gz ZXFGEJXFRVTAMI-UHFFFAOYSA-N 2 2 371.533 2.200 50 0 FEAALP CC[NH+](CC)CC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC(C)C)C1 ZINC000020859574 220343330 /nfs/dbraw/zinc/34/33/30/220343330.db2.gz OXCKEQZOEHSGPM-INIZCTEOSA-N 2 2 363.550 2.030 50 0 FEAALP C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[C@H](C)O1 ZINC000058210700 221107521 /nfs/dbraw/zinc/10/75/21/221107521.db2.gz QXBJAKQAYXHJHU-IRXDYDNUSA-N 2 2 371.485 2.171 50 0 FEAALP C[NH+](C)[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000058307853 221113988 /nfs/dbraw/zinc/11/39/88/221113988.db2.gz QXSICNFVDCBQAD-NRFANRHFSA-N 2 2 367.493 2.438 50 0 FEAALP CCCN(Cc1[nH+]ccn1C)C(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000065452423 221220913 /nfs/dbraw/zinc/22/09/13/221220913.db2.gz KZJLRPWFMPYEIO-UHFFFAOYSA-N 2 2 355.486 2.224 50 0 FEAALP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc(C)o3)CC2)C1 ZINC000067724348 221276435 /nfs/dbraw/zinc/27/64/35/221276435.db2.gz QUHXARORXUDEGF-KRWDZBQOSA-N 2 2 363.502 2.027 50 0 FEAALP COCCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccc(C)o3)CC2)C1 ZINC000067724348 221276438 /nfs/dbraw/zinc/27/64/38/221276438.db2.gz QUHXARORXUDEGF-KRWDZBQOSA-N 2 2 363.502 2.027 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1nc3c(s1)CCCC3)CCC[N@@H+]2C ZINC000067805804 221289135 /nfs/dbraw/zinc/28/91/35/221289135.db2.gz VFCKRAVDTWRPBL-UHFFFAOYSA-N 2 2 362.543 2.264 50 0 FEAALP C[NH+]1CCC2(CC1)CN(C(=O)c1nc3c(s1)CCCC3)CCC[N@H+]2C ZINC000067805804 221289138 /nfs/dbraw/zinc/28/91/38/221289138.db2.gz VFCKRAVDTWRPBL-UHFFFAOYSA-N 2 2 362.543 2.264 50 0 FEAALP CCn1c[nH+]cc1CNC(=O)c1cc(C[N@H+](C)Cc2ccccc2)on1 ZINC000067896382 221302349 /nfs/dbraw/zinc/30/23/49/221302349.db2.gz QFQQQMRVZGHDOV-UHFFFAOYSA-N 2 2 353.426 2.453 50 0 FEAALP CCn1c[nH+]cc1CNC(=O)c1cc(C[N@@H+](C)Cc2ccccc2)on1 ZINC000067896382 221302352 /nfs/dbraw/zinc/30/23/52/221302352.db2.gz QFQQQMRVZGHDOV-UHFFFAOYSA-N 2 2 353.426 2.453 50 0 FEAALP O=C(NCC(F)F)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071750219 221362433 /nfs/dbraw/zinc/36/24/33/221362433.db2.gz XWPQSJHTUZPFJM-INIZCTEOSA-N 2 2 366.456 2.139 50 0 FEAALP O=C(NCC(F)F)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000071750219 221362434 /nfs/dbraw/zinc/36/24/34/221362434.db2.gz XWPQSJHTUZPFJM-INIZCTEOSA-N 2 2 366.456 2.139 50 0 FEAALP O=C1CC[C@]2(CCC[N@H+](Cc3ccncc3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082106969 542684375 /nfs/dbraw/zinc/68/43/75/542684375.db2.gz HDTIYPCVKYDMDS-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@]2(CCC[N@@H+](Cc3ccncc3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082106969 542684378 /nfs/dbraw/zinc/68/43/78/542684378.db2.gz HDTIYPCVKYDMDS-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@]2(CCC[N@H+](Cc3ccncc3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082106969 542684381 /nfs/dbraw/zinc/68/43/81/542684381.db2.gz HDTIYPCVKYDMDS-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP O=C1CC[C@]2(CCC[N@@H+](Cc3ccncc3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082106969 542684383 /nfs/dbraw/zinc/68/43/83/542684383.db2.gz HDTIYPCVKYDMDS-FQEVSTJZSA-N 2 2 353.470 2.252 50 0 FEAALP CC(C)Nc1cc[nH+]c(N2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)n1 ZINC000106947127 132240846 /nfs/dbraw/zinc/24/08/46/132240846.db2.gz CFZCCFUAEAAEPD-HNNXBMFYSA-N 2 2 361.515 2.432 50 0 FEAALP CC(C)Nc1cc[nH+]c(N2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)n1 ZINC000106947127 132240847 /nfs/dbraw/zinc/24/08/47/132240847.db2.gz CFZCCFUAEAAEPD-HNNXBMFYSA-N 2 2 361.515 2.432 50 0 FEAALP Nc1nc(C2CC([NH3+])C2)cc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000223239767 132278883 /nfs/dbraw/zinc/27/88/83/132278883.db2.gz LEDHDYHSWXRIDD-UHFFFAOYSA-N 2 2 372.904 2.239 50 0 FEAALP Cn1cc[nH+]c1C1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000091974018 542835039 /nfs/dbraw/zinc/83/50/39/542835039.db2.gz BCMTVVNPTFXNLF-UHFFFAOYSA-N 2 2 357.845 2.461 50 0 FEAALP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000057323102 136128650 /nfs/dbraw/zinc/12/86/50/136128650.db2.gz GDDVZVUDTGYNSR-UHFFFAOYSA-N 2 2 364.921 2.063 50 0 FEAALP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1 ZINC000095373806 542963941 /nfs/dbraw/zinc/96/39/41/542963941.db2.gz FSZAPDUWPNNOPX-GOSISDBHSA-N 2 2 360.502 2.112 50 0 FEAALP CCc1[nH+]ccn1CCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000095500747 542974152 /nfs/dbraw/zinc/97/41/52/542974152.db2.gz CMCQTQYUKSMQKF-UHFFFAOYSA-N 2 2 357.458 2.099 50 0 FEAALP O[C@@H](COc1cccc(C[NH+]2Cc3ccccc3C2)c1)C[NH+]1CCOCC1 ZINC000095502330 542975073 /nfs/dbraw/zinc/97/50/73/542975073.db2.gz PSAFLOAWTVUVKU-OAQYLSRUSA-N 2 2 368.477 2.274 50 0 FEAALP Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095526341 542981297 /nfs/dbraw/zinc/98/12/97/542981297.db2.gz IJMYXIAXVVPZOQ-SFHVURJKSA-N 3 2 372.517 2.136 50 0 FEAALP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000153304236 326729470 /nfs/dbraw/zinc/72/94/70/326729470.db2.gz HRQVUPLWESYGAA-IRXDYDNUSA-N 2 2 368.485 2.466 50 0 FEAALP Cc1cnccc1C[N@H+](C)Cc1cc2n(n1)CCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000244794538 526227957 /nfs/dbraw/zinc/22/79/57/526227957.db2.gz QOPSNNAQAWXYCK-SFHVURJKSA-N 2 2 368.529 2.034 50 0 FEAALP Cc1cnccc1C[N@@H+](C)Cc1cc2n(n1)CCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000244794538 526227961 /nfs/dbraw/zinc/22/79/61/526227961.db2.gz QOPSNNAQAWXYCK-SFHVURJKSA-N 2 2 368.529 2.034 50 0 FEAALP Cc1nc(N[C@H]2C[N@H+](CCC(=O)NC3CCCC3)C[C@@H]2C2CC2)cc[nH+]1 ZINC000091519417 527353240 /nfs/dbraw/zinc/35/32/40/527353240.db2.gz AIIYYROUJLKUKV-MSOLQXFVSA-N 2 2 357.502 2.356 50 0 FEAALP Cc1nc(N[C@H]2C[N@@H+](CCC(=O)NC3CCCC3)C[C@@H]2C2CC2)cc[nH+]1 ZINC000091519417 527353246 /nfs/dbraw/zinc/35/32/46/527353246.db2.gz AIIYYROUJLKUKV-MSOLQXFVSA-N 2 2 357.502 2.356 50 0 FEAALP O[C@@H](COCc1ccccc1)C[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000162480871 546139280 /nfs/dbraw/zinc/13/92/80/546139280.db2.gz ABAZLPVYBFSBHY-QGZVFWFLSA-N 2 2 361.873 2.435 50 0 FEAALP COc1cc(F)c(CN2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1OC ZINC000215476810 548671094 /nfs/dbraw/zinc/67/10/94/548671094.db2.gz ODSNWCMMRUNBNT-UHFFFAOYSA-N 2 2 351.466 2.055 50 0 FEAALP Cn1cc([C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000222530519 548709214 /nfs/dbraw/zinc/70/92/14/548709214.db2.gz FOFBPZUPFAFCPN-YYWHXJBOSA-N 2 2 354.498 2.486 50 0 FEAALP O=C(C1CCC1)N1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCCC2)CC1 ZINC000223693838 548723970 /nfs/dbraw/zinc/72/39/70/548723970.db2.gz JBOTYGFVBIVJEG-IYWMVGAKSA-N 2 2 361.530 2.009 50 0 FEAALP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2csc(C[NH3+])n2)C[C@@H](C)O1 ZINC000237410549 548824267 /nfs/dbraw/zinc/82/42/67/548824267.db2.gz YSHHOXJZHCDRCS-ZIAGYGMSSA-N 2 2 374.510 2.141 50 0 FEAALP CC(C)n1cc[nH+]c1C1CC[NH+](Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)CC1 ZINC000243901849 548890041 /nfs/dbraw/zinc/89/00/41/548890041.db2.gz BEUPEYZJGYCHPU-WKILWMFISA-N 3 2 357.506 2.177 50 0 FEAALP COCCn1c(C[N@H+](C)C/C=C/c2ccccc2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252539205 549673738 /nfs/dbraw/zinc/67/37/38/549673738.db2.gz NWMQRRDQQJVBBB-SOFAQEJWSA-N 2 2 355.486 2.274 50 0 FEAALP COCCn1c(C[N@@H+](C)C/C=C/c2ccccc2)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000252539205 549673741 /nfs/dbraw/zinc/67/37/41/549673741.db2.gz NWMQRRDQQJVBBB-SOFAQEJWSA-N 2 2 355.486 2.274 50 0 FEAALP Cc1ccn2cc(CNC(=O)N3CCC([NH+]4CCSCC4)CC3)[nH+]c2c1 ZINC000426503548 559736071 /nfs/dbraw/zinc/73/60/71/559736071.db2.gz QUWQBCLTNXYRBA-UHFFFAOYSA-N 2 2 373.526 2.366 50 0 FEAALP Cc1nc(N2CC[NH+](CCOc3ccccc3)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426690352 559740348 /nfs/dbraw/zinc/74/03/48/559740348.db2.gz UPDFKNFTJOZVKC-GOSISDBHSA-N 2 2 368.481 2.490 50 0 FEAALP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000584887134 571314029 /nfs/dbraw/zinc/31/40/29/571314029.db2.gz JEQPKUSCJWMAMN-KRWDZBQOSA-N 2 2 360.477 2.137 50 0 FEAALP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000584887134 571314031 /nfs/dbraw/zinc/31/40/31/571314031.db2.gz JEQPKUSCJWMAMN-KRWDZBQOSA-N 2 2 360.477 2.137 50 0 FEAALP Cc1[nH]c(C)c(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](CO)C3)cc2)[nH+]1 ZINC000584898036 571315759 /nfs/dbraw/zinc/31/57/59/571315759.db2.gz QPYDFVJDXTZKQI-MRXNPFEDSA-N 2 2 356.470 2.128 50 0 FEAALP Cc1[nH]c(C)c(-c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](CO)C3)cc2)[nH+]1 ZINC000584898036 571315760 /nfs/dbraw/zinc/31/57/60/571315760.db2.gz QPYDFVJDXTZKQI-MRXNPFEDSA-N 2 2 356.470 2.128 50 0 FEAALP Cc1[nH]c(-c2ccc(C(=O)NCC[N@@H+]3CCC[C@@H](CO)C3)cc2)c(C)[nH+]1 ZINC000584898036 571315761 /nfs/dbraw/zinc/31/57/61/571315761.db2.gz QPYDFVJDXTZKQI-MRXNPFEDSA-N 2 2 356.470 2.128 50 0 FEAALP Cc1[nH]c(-c2ccc(C(=O)NCC[N@H+]3CCC[C@@H](CO)C3)cc2)c(C)[nH+]1 ZINC000584898036 571315762 /nfs/dbraw/zinc/31/57/62/571315762.db2.gz QPYDFVJDXTZKQI-MRXNPFEDSA-N 2 2 356.470 2.128 50 0 FEAALP Cc1ccccc1C[NH+]1CCN(C(=O)CC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000299779715 223092990 /nfs/dbraw/zinc/09/29/90/223092990.db2.gz RLPARHKFEOGOPT-LJQANCHMSA-N 2 2 359.514 2.140 50 0 FEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3c(F)cccc3F)[nH+]cn2)c1C ZINC000072437385 541814133 /nfs/dbraw/zinc/81/41/33/541814133.db2.gz KBGRGKMHSDTISL-UHFFFAOYSA-N 2 2 372.379 2.399 50 0 FEAALP C[NH+](C)[C@@H](C(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccc2c(c1)OCO2 ZINC000072473235 541818744 /nfs/dbraw/zinc/81/87/44/541818744.db2.gz CLSVMBCHBPUJNN-QGZVFWFLSA-N 2 2 356.426 2.147 50 0 FEAALP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)C(=O)NCCC[N@H+]2C ZINC000067695198 221273941 /nfs/dbraw/zinc/27/39/41/221273941.db2.gz PCKMDEBZXZATEI-KRWDZBQOSA-N 2 2 353.551 2.240 50 0 FEAALP C[C@@H](CCCC(C)(C)O)CC[NH+]1CCC2(CC1)C(=O)NCCC[N@@H+]2C ZINC000067695198 221273943 /nfs/dbraw/zinc/27/39/43/221273943.db2.gz PCKMDEBZXZATEI-KRWDZBQOSA-N 2 2 353.551 2.240 50 0 FEAALP C[N@H+](Cc1cc(C(=O)NC[C@]2(C)CC[NH+](C)C2)no1)Cc1ccccc1 ZINC000067846644 221293792 /nfs/dbraw/zinc/29/37/92/221293792.db2.gz DIWWEPNLBMQITF-FQEVSTJZSA-N 2 2 356.470 2.378 50 0 FEAALP C[N@@H+](Cc1cc(C(=O)NC[C@]2(C)CC[NH+](C)C2)no1)Cc1ccccc1 ZINC000067846644 221293793 /nfs/dbraw/zinc/29/37/93/221293793.db2.gz DIWWEPNLBMQITF-FQEVSTJZSA-N 2 2 356.470 2.378 50 0 FEAALP C[NH+](Cc1cc(C(=O)NC[C@]2(C)CC[N@H+](C)C2)no1)Cc1ccccc1 ZINC000067846644 221293796 /nfs/dbraw/zinc/29/37/96/221293796.db2.gz DIWWEPNLBMQITF-FQEVSTJZSA-N 2 2 356.470 2.378 50 0 FEAALP C[NH+](Cc1cc(C(=O)NC[C@]2(C)CC[N@@H+](C)C2)no1)Cc1ccccc1 ZINC000067846644 221293797 /nfs/dbraw/zinc/29/37/97/221293797.db2.gz DIWWEPNLBMQITF-FQEVSTJZSA-N 2 2 356.470 2.378 50 0 FEAALP COc1ccccc1C[NH+]1CCN(c2cc(C3CC(O)C3)[nH+]c(C)n2)CC1 ZINC000220622176 132275970 /nfs/dbraw/zinc/27/59/70/132275970.db2.gz SFPTVBXNBWSSTA-UHFFFAOYSA-N 2 2 368.481 2.354 50 0 FEAALP CNc1nc(N2CCC(Cn3cc[nH+]c3C)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299800839 132300589 /nfs/dbraw/zinc/30/05/89/132300589.db2.gz JAMPUMMQUWAKNM-MRXNPFEDSA-N 2 2 356.474 2.444 50 0 FEAALP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2cnn3ccccc23)CC1 ZINC000092028242 542838272 /nfs/dbraw/zinc/83/82/72/542838272.db2.gz GFXULSGMZPBYIE-UHFFFAOYSA-N 2 2 366.469 2.112 50 0 FEAALP C[C@H](C(=O)NCC[NH+]1CCCC1)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684612 136117887 /nfs/dbraw/zinc/11/78/87/136117887.db2.gz KWSWKZZLCQKBKX-MRXNPFEDSA-N 2 2 364.921 2.063 50 0 FEAALP c1cn(C[C@@H]2CCCN(c3nc(-c4cccnc4)nc4c3C[NH2+]C4)C2)c[nH+]1 ZINC000072130645 136142080 /nfs/dbraw/zinc/14/20/80/136142080.db2.gz ZIXUNRHLHPQASY-HNNXBMFYSA-N 2 2 361.453 2.255 50 0 FEAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2[nH]cnc2C)CC1 ZINC000082108919 523188996 /nfs/dbraw/zinc/18/89/96/523188996.db2.gz PZGKUTXIAGDMAQ-UHFFFAOYSA-N 2 2 357.506 2.305 50 0 FEAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(OC)cc2)C1 ZINC000091535830 523555397 /nfs/dbraw/zinc/55/53/97/523555397.db2.gz SCNVSJWKTSDNNR-GOSISDBHSA-N 2 2 370.497 2.450 50 0 FEAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(OC)cc2)C1 ZINC000091535830 523555406 /nfs/dbraw/zinc/55/54/06/523555406.db2.gz SCNVSJWKTSDNNR-GOSISDBHSA-N 2 2 370.497 2.450 50 0 FEAALP C[N@@H+]1CCC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)C1 ZINC000091535307 523838378 /nfs/dbraw/zinc/83/83/78/523838378.db2.gz DDUIYLKEYCLCGL-SFHVURJKSA-N 2 2 367.497 2.374 50 0 FEAALP C[N@H+]1CCC[C@H](C(=O)N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)C1 ZINC000091535307 523838385 /nfs/dbraw/zinc/83/83/85/523838385.db2.gz DDUIYLKEYCLCGL-SFHVURJKSA-N 2 2 367.497 2.374 50 0 FEAALP CN(CCCc1[nH+]ccn1C)C(=O)C1(c2ccccc2)CC[NH+](C)CC1 ZINC000223777490 548724825 /nfs/dbraw/zinc/72/48/25/548724825.db2.gz JRDLFAZIOIXMKA-UHFFFAOYSA-N 2 2 354.498 2.475 50 0 FEAALP COc1ccc2ccccc2c1C[NH2+]Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C ZINC000244602089 548890630 /nfs/dbraw/zinc/89/06/30/548890630.db2.gz DXJDVOYABONRKP-GASCZTMLSA-N 2 2 351.454 2.471 50 0 FEAALP C[C@H]([NH3+])c1nnc(SCC[NH+]2CCOCC2)n1-c1cccc(Cl)c1 ZINC000426723806 559740968 /nfs/dbraw/zinc/74/09/68/559740968.db2.gz AOIYMGCZIIMWMP-LBPRGKRZSA-N 2 2 367.906 2.365 50 0 FEAALP C[N@H+](C[C@H](O)c1ccc(F)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000328600339 529962075 /nfs/dbraw/zinc/96/20/75/529962075.db2.gz XCUSUEPGMURPJJ-FQEVSTJZSA-N 2 2 358.461 2.288 50 0 FEAALP C[N@@H+](C[C@H](O)c1ccc(F)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000328600339 529962077 /nfs/dbraw/zinc/96/20/77/529962077.db2.gz XCUSUEPGMURPJJ-FQEVSTJZSA-N 2 2 358.461 2.288 50 0 FEAALP Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=S)NCC[NH+](C)C)cc12 ZINC000004969808 539397795 /nfs/dbraw/zinc/39/77/95/539397795.db2.gz WQHFVRZISDFSDC-UHFFFAOYSA-N 2 2 373.526 2.228 50 0 FEAALP Cc1nc[nH]c1C[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072425355 541811092 /nfs/dbraw/zinc/81/10/92/541811092.db2.gz KXAUYHBZCQDNTH-MRXNPFEDSA-N 2 2 357.506 2.212 50 0 FEAALP Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCCCC3)n2C)C1 ZINC000072425355 541811097 /nfs/dbraw/zinc/81/10/97/541811097.db2.gz KXAUYHBZCQDNTH-MRXNPFEDSA-N 2 2 357.506 2.212 50 0 FEAALP CC(C)n1ccnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072412245 541807290 /nfs/dbraw/zinc/80/72/90/541807290.db2.gz XEQSKDWFYXADHE-FUHWJXTLSA-N 2 2 370.501 2.243 50 0 FEAALP CC(C)n1ccnc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH+]c[nH]2)C1 ZINC000072412245 541807294 /nfs/dbraw/zinc/80/72/94/541807294.db2.gz XEQSKDWFYXADHE-FUHWJXTLSA-N 2 2 370.501 2.243 50 0 FEAALP CC(C)n1ccnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 ZINC000072412245 541807299 /nfs/dbraw/zinc/80/72/99/541807299.db2.gz XEQSKDWFYXADHE-FUHWJXTLSA-N 2 2 370.501 2.243 50 0 FEAALP CC(C)n1ccnc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]c[nH+]2)C1 ZINC000072412245 541807302 /nfs/dbraw/zinc/80/73/02/541807302.db2.gz XEQSKDWFYXADHE-FUHWJXTLSA-N 2 2 370.501 2.243 50 0 FEAALP COCCCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000072419069 541808359 /nfs/dbraw/zinc/80/83/59/541808359.db2.gz CIJQJUYZYPFJTG-UHFFFAOYSA-N 2 2 356.470 2.445 50 0 FEAALP Cc1[nH+]cn(-c2cc(NCCNC(=O)c3ccc(F)cc3F)[nH+]cn2)c1C ZINC000072436989 541814452 /nfs/dbraw/zinc/81/44/52/541814452.db2.gz PTSIOOUGWMAWDI-UHFFFAOYSA-N 2 2 372.379 2.399 50 0 FEAALP O[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000072467902 541817552 /nfs/dbraw/zinc/81/75/52/541817552.db2.gz MQSSVWNHUVMRAI-OAHLLOKOSA-N 2 2 354.397 2.429 50 0 FEAALP O[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000072467902 541817557 /nfs/dbraw/zinc/81/75/57/541817557.db2.gz MQSSVWNHUVMRAI-OAHLLOKOSA-N 2 2 354.397 2.429 50 0 FEAALP Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000077523774 542392251 /nfs/dbraw/zinc/39/22/51/542392251.db2.gz MLYKVCIXJVWJAA-UHFFFAOYSA-N 2 2 361.534 2.284 50 0 FEAALP CCNc1cc(N2CCC(CCC(=O)N3CCC[N@H+](C)CC3)CC2)nc[nH+]1 ZINC000065274003 221193329 /nfs/dbraw/zinc/19/33/29/221193329.db2.gz HXGXHPGGZDFMGF-UHFFFAOYSA-N 2 2 374.533 2.069 50 0 FEAALP CCNc1cc(N2CCC(CCC(=O)N3CCC[N@@H+](C)CC3)CC2)nc[nH+]1 ZINC000065274003 221193333 /nfs/dbraw/zinc/19/33/33/221193333.db2.gz HXGXHPGGZDFMGF-UHFFFAOYSA-N 2 2 374.533 2.069 50 0 FEAALP CCNc1cc(N2CCC(CCC(=O)N3CCC[N@H+](C)CC3)CC2)[nH+]cn1 ZINC000065274003 221193335 /nfs/dbraw/zinc/19/33/35/221193335.db2.gz HXGXHPGGZDFMGF-UHFFFAOYSA-N 2 2 374.533 2.069 50 0 FEAALP CCNc1cc(N2CCC(CCC(=O)N3CCC[N@@H+](C)CC3)CC2)[nH+]cn1 ZINC000065274003 221193338 /nfs/dbraw/zinc/19/33/38/221193338.db2.gz HXGXHPGGZDFMGF-UHFFFAOYSA-N 2 2 374.533 2.069 50 0 FEAALP O=C(c1ccccn1)N1CCC([N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)CC1 ZINC000067910429 221303893 /nfs/dbraw/zinc/30/38/93/221303893.db2.gz WKIMDIJZDIWWSR-KRWDZBQOSA-N 2 2 353.470 2.295 50 0 FEAALP O=C(c1ccccn1)N1CCC([N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)CC1 ZINC000067910429 221303896 /nfs/dbraw/zinc/30/38/96/221303896.db2.gz WKIMDIJZDIWWSR-KRWDZBQOSA-N 2 2 353.470 2.295 50 0 FEAALP Cc1ccccc1[C@H](C(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1)[NH+](C)C ZINC000067947729 221307650 /nfs/dbraw/zinc/30/76/50/221307650.db2.gz FXDJXMSBVAJQHM-HXUWFJFHSA-N 3 2 372.557 2.226 50 0 FEAALP Cc1ccccc1[C@H](C(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1)[NH+](C)C ZINC000067947729 221307651 /nfs/dbraw/zinc/30/76/51/221307651.db2.gz FXDJXMSBVAJQHM-HXUWFJFHSA-N 3 2 372.557 2.226 50 0 FEAALP Cc1ccccc1[C@H](C(=O)N1CCCN(C)C2(CC[NH+](C)CC2)C1)[NH+](C)C ZINC000067947729 221307653 /nfs/dbraw/zinc/30/76/53/221307653.db2.gz FXDJXMSBVAJQHM-HXUWFJFHSA-N 2 2 372.557 2.226 50 0 FEAALP CCn1cc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071639401 221353843 /nfs/dbraw/zinc/35/38/43/221353843.db2.gz BRTOSTIJGZECKM-IBGZPJMESA-N 2 2 373.545 2.202 50 0 FEAALP CCn1cc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cn1 ZINC000071639401 221353846 /nfs/dbraw/zinc/35/38/46/221353846.db2.gz BRTOSTIJGZECKM-IBGZPJMESA-N 2 2 373.545 2.202 50 0 FEAALP Cc1c[nH+]c(N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc1N(C)C ZINC000095523340 132214316 /nfs/dbraw/zinc/21/43/16/132214316.db2.gz DEVDCWRWGVOKLC-KRWDZBQOSA-N 3 2 371.533 2.383 50 0 FEAALP Cc1c[nH+]c(N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)nc1N(C)C ZINC000095523341 132214352 /nfs/dbraw/zinc/21/43/52/132214352.db2.gz DEVDCWRWGVOKLC-QGZVFWFLSA-N 3 2 371.533 2.383 50 0 FEAALP O=c1cc(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)[nH]c2ccc(F)cc12 ZINC000091624809 542816599 /nfs/dbraw/zinc/81/65/99/542816599.db2.gz JUOROWPGJNWHLA-UHFFFAOYSA-N 2 2 356.401 2.303 50 0 FEAALP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091724543 542821319 /nfs/dbraw/zinc/82/13/19/542821319.db2.gz LPIQYJIRHUSEEX-RTBURBONSA-N 2 2 368.481 2.039 50 0 FEAALP Cc1c2cccc(Cl)c2[nH]c1C[NH+]1C[C@H](CO)[C@H](C[N@H+](C)CCO)C1 ZINC000091713806 542821581 /nfs/dbraw/zinc/82/15/81/542821581.db2.gz OUSKNIKNUOJQRF-HUUCEWRRSA-N 2 2 365.905 2.094 50 0 FEAALP Cc1c2cccc(Cl)c2[nH]c1C[NH+]1C[C@H](CO)[C@H](C[N@@H+](C)CCO)C1 ZINC000091713806 542821586 /nfs/dbraw/zinc/82/15/86/542821586.db2.gz OUSKNIKNUOJQRF-HUUCEWRRSA-N 2 2 365.905 2.094 50 0 FEAALP Cc1c2cccc(Cl)c2[nH]c1C[N@@H+]1C[C@H](CO)[C@H](C[NH+](C)CCO)C1 ZINC000091713806 542821588 /nfs/dbraw/zinc/82/15/88/542821588.db2.gz OUSKNIKNUOJQRF-HUUCEWRRSA-N 2 2 365.905 2.094 50 0 FEAALP Cc1c2cccc(Cl)c2[nH]c1C[N@H+]1C[C@H](CO)[C@H](C[NH+](C)CCO)C1 ZINC000091713806 542821590 /nfs/dbraw/zinc/82/15/90/542821590.db2.gz OUSKNIKNUOJQRF-HUUCEWRRSA-N 2 2 365.905 2.094 50 0 FEAALP C[C@H](NC(=O)CCn1cc[nH+]c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000069583014 136137982 /nfs/dbraw/zinc/13/79/82/136137982.db2.gz HUJTVJKGUDJTEE-HNNXBMFYSA-N 2 2 359.449 2.042 50 0 FEAALP COc1cccc([C@H]2CN(c3cc(N)[nH+]cn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000095362163 542959652 /nfs/dbraw/zinc/95/96/52/542959652.db2.gz ATNZFKJZJBCOSZ-NSISKUIASA-N 2 2 351.454 2.134 50 0 FEAALP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000095364130 542960514 /nfs/dbraw/zinc/96/05/14/542960514.db2.gz PZHJTTJGJISFHD-FQEVSTJZSA-N 2 2 359.514 2.088 50 0 FEAALP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](Cc2ccccc2CO)CC1 ZINC000095364130 542960518 /nfs/dbraw/zinc/96/05/18/542960518.db2.gz PZHJTTJGJISFHD-FQEVSTJZSA-N 2 2 359.514 2.088 50 0 FEAALP CC[N@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095389576 542968290 /nfs/dbraw/zinc/96/82/90/542968290.db2.gz WQOHDHHUEKTBDU-CWFSZBLJSA-N 2 2 363.452 2.305 50 0 FEAALP CC[N@@H+](C)CC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095389576 542968293 /nfs/dbraw/zinc/96/82/93/542968293.db2.gz WQOHDHHUEKTBDU-CWFSZBLJSA-N 2 2 363.452 2.305 50 0 FEAALP Cc1c[nH+]ccc1N1CCCN(C(=O)CC2=CSC3=[NH+]CCCN23)CC1 ZINC000102680564 222304299 /nfs/dbraw/zinc/30/42/99/222304299.db2.gz KXVXGFKEAKTJBD-UHFFFAOYSA-N 2 2 371.510 2.469 50 0 FEAALP C[N@H+](Cc1ccccc1)C1(C(=O)N2CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000020455048 263380493 /nfs/dbraw/zinc/38/04/93/263380493.db2.gz YOJSAMJRRFGMFA-UHFFFAOYSA-N 2 2 363.505 2.430 50 0 FEAALP C[NH+]1CCN(c2ncc(C[NH+]3CCN(c4ccccc4)CC3)s2)CC1 ZINC000001399125 536425607 /nfs/dbraw/zinc/42/56/07/536425607.db2.gz XSTWDUCEXOGDBG-UHFFFAOYSA-N 2 2 357.527 2.217 50 0 FEAALP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000177205544 546569461 /nfs/dbraw/zinc/56/94/61/546569461.db2.gz VVBCJHREMGDCAX-UXHICEINSA-N 2 2 368.481 2.084 50 0 FEAALP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000177205544 546569466 /nfs/dbraw/zinc/56/94/66/546569466.db2.gz VVBCJHREMGDCAX-UXHICEINSA-N 2 2 368.481 2.084 50 0 FEAALP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000222806055 548711596 /nfs/dbraw/zinc/71/15/96/548711596.db2.gz VFUHIGKZPSSYGE-CGRMTHRGSA-N 2 2 368.481 2.103 50 0 FEAALP COc1ccc(C[N@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)c2cccnc12 ZINC000244778738 548895318 /nfs/dbraw/zinc/89/53/18/548895318.db2.gz PVRFBLVMQBLZLU-SHTZXODSSA-N 2 2 366.469 2.209 50 0 FEAALP COc1ccc(C[N@@H+](C)Cc2nnc([C@H]3C[C@H]([NH3+])C3)n2C)c2cccnc12 ZINC000244778738 548895321 /nfs/dbraw/zinc/89/53/21/548895321.db2.gz PVRFBLVMQBLZLU-SHTZXODSSA-N 2 2 366.469 2.209 50 0 FEAALP Cc1nnsc1C(=O)N1CCC(c2[nH+]ccn2CCC[NH+](C)C)CC1 ZINC000095360182 670759386 /nfs/dbraw/zinc/75/93/86/670759386.db2.gz IJCKQEBTFWOAFN-UHFFFAOYSA-N 2 2 362.503 2.015 50 0 FEAALP