smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@]21CCCN(Cc2ccco2)CC1 ZINC000306132728 206201681 /nfs/dbraw/zinc/20/16/81/206201681.db2.gz LQMKNZZXURCYNH-QHCPKHFHSA-N 1 3 379.548 3.700 40 0 GHABHO CN1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@]21CCCN(Cc2ccco2)CC1 ZINC000306132728 206201685 /nfs/dbraw/zinc/20/16/85/206201685.db2.gz LQMKNZZXURCYNH-QHCPKHFHSA-N 1 3 379.548 3.700 40 0 GHABHO Cc1cccc(CN2CCC(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000039754588 570447558 /nfs/dbraw/zinc/44/75/58/570447558.db2.gz PHHBRCQYBSRHBY-NHCUHLMSSA-N 1 3 385.596 3.691 40 0 GHABHO Cc1ccc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)o1 ZINC000019216572 570961870 /nfs/dbraw/zinc/96/18/70/570961870.db2.gz LTQUXMGWIFTPDE-XMSQKQJNSA-N 1 3 399.510 3.898 40 0 GHABHO Cc1ccc(CN2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)o1 ZINC000019216572 570961871 /nfs/dbraw/zinc/96/18/71/570961871.db2.gz LTQUXMGWIFTPDE-XMSQKQJNSA-N 1 3 399.510 3.898 40 0 GHABHO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096220983 570220068 /nfs/dbraw/zinc/22/00/68/570220068.db2.gz QOTMFDATKSQDMX-NRFANRHFSA-N 1 3 394.515 3.671 40 0 GHABHO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096220983 570220071 /nfs/dbraw/zinc/22/00/71/570220071.db2.gz QOTMFDATKSQDMX-NRFANRHFSA-N 1 3 394.515 3.671 40 0 GHABHO Cc1cc(N2CCN(Cc3ccc4ncccc4c3)CC2)cc([C@@H]2CCC[NH2+]2)n1 ZINC000019698042 860324586 /nfs/dbraw/zinc/32/45/86/860324586.db2.gz PRJYUDMVAQQUMQ-QHCPKHFHSA-N 1 3 387.531 3.685 40 0 GHABHO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009062732 856409914 /nfs/dbraw/zinc/40/99/14/856409914.db2.gz PGOBKBREPGMVJI-JOCHJYFZSA-N 1 3 389.559 3.809 40 0 GHABHO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009062732 856409919 /nfs/dbraw/zinc/40/99/19/856409919.db2.gz PGOBKBREPGMVJI-JOCHJYFZSA-N 1 3 389.559 3.809 40 0 GHABHO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccn1-c1ccncc1)Cc1ccccn1 ZINC000019527161 570997845 /nfs/dbraw/zinc/99/78/45/570997845.db2.gz WBFOYEVIEONDNU-JOCHJYFZSA-N 1 3 375.520 3.754 40 0 GHABHO CC[N@H+]1CCC[C@@H]1CN(Cc1cccn1-c1ccncc1)Cc1ccccn1 ZINC000019527161 570997847 /nfs/dbraw/zinc/99/78/47/570997847.db2.gz WBFOYEVIEONDNU-JOCHJYFZSA-N 1 3 375.520 3.754 40 0 GHABHO Cc1onc(C(=O)NC(C)(C)C[N@H+]2CCC[C@H](C)C2)c1CN1CCCCCC1 ZINC000019579538 571012546 /nfs/dbraw/zinc/01/25/46/571012546.db2.gz LTQXITAEXKBACB-KRWDZBQOSA-N 1 3 390.572 3.599 40 0 GHABHO Cc1onc(C(=O)NC(C)(C)C[N@@H+]2CCC[C@H](C)C2)c1CN1CCCCCC1 ZINC000019579538 571012552 /nfs/dbraw/zinc/01/25/52/571012552.db2.gz LTQXITAEXKBACB-KRWDZBQOSA-N 1 3 390.572 3.599 40 0 GHABHO CC[NH2+][C@H]1C[C@@H](c2ccccc2)OC2(CCN(Cc3cnc(CC)nc3)CC2)C1 ZINC000019712740 856426810 /nfs/dbraw/zinc/42/68/10/856426810.db2.gz QBACQJARBINCCQ-VXKWHMMOSA-N 1 3 394.563 3.903 40 0 GHABHO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009062733 856410064 /nfs/dbraw/zinc/41/00/64/856410064.db2.gz PGOBKBREPGMVJI-QFIPXVFZSA-N 1 3 389.559 3.809 40 0 GHABHO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009062733 856410067 /nfs/dbraw/zinc/41/00/67/856410067.db2.gz PGOBKBREPGMVJI-QFIPXVFZSA-N 1 3 389.559 3.809 40 0 GHABHO Cc1ccc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)o1 ZINC000036734282 205020910 /nfs/dbraw/zinc/02/09/10/205020910.db2.gz LTQUXMGWIFTPDE-AVRDEDQJSA-N 1 3 399.510 3.898 40 0 GHABHO Cc1ccc(CN2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)o1 ZINC000036734282 205020913 /nfs/dbraw/zinc/02/09/13/205020913.db2.gz LTQUXMGWIFTPDE-AVRDEDQJSA-N 1 3 399.510 3.898 40 0 GHABHO c1coc(CN2Cc3ccccc3C3(CCN(CC[NH+]4CCCC4)CC3)C2)c1 ZINC000096242486 570222695 /nfs/dbraw/zinc/22/26/95/570222695.db2.gz WOUCIKSATDISDK-UHFFFAOYSA-N 1 3 379.548 3.725 40 0 GHABHO c1coc(CN2Cc3ccccc3C3(CC[NH+](CCN4CCCC4)CC3)C2)c1 ZINC000096242486 570222696 /nfs/dbraw/zinc/22/26/96/570222696.db2.gz WOUCIKSATDISDK-UHFFFAOYSA-N 1 3 379.548 3.725 40 0 GHABHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000039759942 570445692 /nfs/dbraw/zinc/44/56/92/570445692.db2.gz ZXUNPLOGHDPGLQ-KDURUIRLSA-N 1 3 389.559 3.522 40 0 GHABHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000039759942 570445693 /nfs/dbraw/zinc/44/56/93/570445693.db2.gz ZXUNPLOGHDPGLQ-KDURUIRLSA-N 1 3 389.559 3.522 40 0 GHABHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000039759943 570445680 /nfs/dbraw/zinc/44/56/80/570445680.db2.gz ZXUNPLOGHDPGLQ-OALUTQOASA-N 1 3 389.559 3.522 40 0 GHABHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000039759944 570445695 /nfs/dbraw/zinc/44/56/95/570445695.db2.gz ZXUNPLOGHDPGLQ-RTBURBONSA-N 1 3 389.559 3.522 40 0 GHABHO [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCCCC2)CC1 ZINC000100768872 208381463 /nfs/dbraw/zinc/38/14/63/208381463.db2.gz QHJMFIMYDAPYPO-DSKINZAPSA-N 1 3 375.532 3.624 40 0 GHABHO C[N@@H+]1CCc2nc(C3CCN(Cc4ccc5c(c4)CC(C)(C)O5)CC3)ncc2C1 ZINC000019461736 207123694 /nfs/dbraw/zinc/12/36/94/207123694.db2.gz TVDZLDLTZBXWKC-UHFFFAOYSA-N 1 3 392.547 3.558 40 0 GHABHO C[N@H+]1CCc2nc(C3CCN(Cc4ccc5c(c4)CC(C)(C)O5)CC3)ncc2C1 ZINC000019461736 207123697 /nfs/dbraw/zinc/12/36/97/207123697.db2.gz TVDZLDLTZBXWKC-UHFFFAOYSA-N 1 3 392.547 3.558 40 0 GHABHO CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(Cc1ccc(C)o1)CC3 ZINC000097952838 208362840 /nfs/dbraw/zinc/36/28/40/208362840.db2.gz ACQYSMLCSCBKFT-XUZZJYLKSA-N 1 3 399.579 3.525 40 0 GHABHO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(Cc1ccc(C)o1)CC3 ZINC000097952838 208362847 /nfs/dbraw/zinc/36/28/47/208362847.db2.gz ACQYSMLCSCBKFT-XUZZJYLKSA-N 1 3 399.579 3.525 40 0 GHABHO CC[N@@H+]1CCC[C@H]1CN(Cc1cccn1-c1ccncc1)Cc1cccnc1 ZINC000019527192 207128292 /nfs/dbraw/zinc/12/82/92/207128292.db2.gz JOXSFIYXKLPXOU-QFIPXVFZSA-N 1 3 375.520 3.754 40 0 GHABHO CC[N@H+]1CCC[C@H]1CN(Cc1cccn1-c1ccncc1)Cc1cccnc1 ZINC000019527192 207128298 /nfs/dbraw/zinc/12/82/98/207128298.db2.gz JOXSFIYXKLPXOU-QFIPXVFZSA-N 1 3 375.520 3.754 40 0 GHABHO COC[C@@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096051797 208256982 /nfs/dbraw/zinc/25/69/82/208256982.db2.gz OUFGANBEMXYQAG-FQEVSTJZSA-N 1 3 385.577 3.955 40 0 GHABHO Cc1ccc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)o1 ZINC000036734284 570568089 /nfs/dbraw/zinc/56/80/89/570568089.db2.gz LTQUXMGWIFTPDE-GCJKJVERSA-N 1 3 399.510 3.898 40 0 GHABHO Cc1ccc(CN2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)o1 ZINC000036734284 570568094 /nfs/dbraw/zinc/56/80/94/570568094.db2.gz LTQUXMGWIFTPDE-GCJKJVERSA-N 1 3 399.510 3.898 40 0 GHABHO [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@H](c2ccc(F)cc2)N2CCCCCC2)CC1 ZINC000100768874 208380899 /nfs/dbraw/zinc/38/08/99/208380899.db2.gz QHJMFIMYDAPYPO-SLYNCCJLSA-N 1 3 375.532 3.624 40 0 GHABHO CC(C)N1CCC2(CC1)Oc1ccccc1-c1nn(CC[NH+]3CCCC3)cc12 ZINC000306137742 209104324 /nfs/dbraw/zinc/10/43/24/209104324.db2.gz RESUBBHZZKLFLN-UHFFFAOYSA-N 1 3 380.536 3.738 40 0 GHABHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000038831178 570584632 /nfs/dbraw/zinc/58/46/32/570584632.db2.gz FJOHRHPOHZVCDS-UHFFFAOYSA-N 1 3 391.559 3.811 40 0 GHABHO CNCc1cc([C@H]2CC[C@H](C[N@H+](C)Cc3ccc(C)cc3OC)CC2)nn1C ZINC000257237259 570767104 /nfs/dbraw/zinc/76/71/04/570767104.db2.gz HFTWFQAETFLOQM-WGSAOQKQSA-N 1 3 384.568 3.862 40 0 GHABHO CNCc1cc([C@H]2CC[C@H](C[N@@H+](C)Cc3ccc(C)cc3OC)CC2)nn1C ZINC000257237259 570767106 /nfs/dbraw/zinc/76/71/06/570767106.db2.gz HFTWFQAETFLOQM-WGSAOQKQSA-N 1 3 384.568 3.862 40 0 GHABHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CCN(Cc2ccccc2)CC1 ZINC000038831187 570584645 /nfs/dbraw/zinc/58/46/45/570584645.db2.gz BGLFHHGFFCDEJS-UHFFFAOYSA-N 1 3 391.559 3.811 40 0 GHABHO Cc1ccc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)o1 ZINC000019216570 210231592 /nfs/dbraw/zinc/23/15/92/210231592.db2.gz LTQUXMGWIFTPDE-PGRDOPGGSA-N 1 3 399.510 3.898 40 0 GHABHO Cc1ccc(CN2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)o1 ZINC000019216570 210231594 /nfs/dbraw/zinc/23/15/94/210231594.db2.gz LTQUXMGWIFTPDE-PGRDOPGGSA-N 1 3 399.510 3.898 40 0 GHABHO CN1CC2(C1)C[N@H+](Cc1ccccc1)C[C@]21CCCN(Cc2ccco2)CC1 ZINC000306132727 212049142 /nfs/dbraw/zinc/04/91/42/212049142.db2.gz LQMKNZZXURCYNH-HSZRJFAPSA-N 1 3 379.548 3.700 40 0 GHABHO CN1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@]21CCCN(Cc2ccco2)CC1 ZINC000306132727 212049145 /nfs/dbraw/zinc/04/91/45/212049145.db2.gz LQMKNZZXURCYNH-HSZRJFAPSA-N 1 3 379.548 3.700 40 0 GHABHO Cc1cccc(CN2CCC(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000039754582 570447454 /nfs/dbraw/zinc/44/74/54/570447454.db2.gz PHHBRCQYBSRHBY-OYRHEFFESA-N 1 3 385.596 3.691 40 0 GHABHO Cc1cccc(CN2CCC(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000039754582 570447459 /nfs/dbraw/zinc/44/74/59/570447459.db2.gz PHHBRCQYBSRHBY-OYRHEFFESA-N 1 3 385.596 3.691 40 0 GHABHO CNc1cc(C[N@H+](C)Cc2cccc3ncccc23)nc([C@H]2CCCCN2)n1 ZINC000019709942 860328437 /nfs/dbraw/zinc/32/84/37/860328437.db2.gz KFNKINDUYUYQBE-HXUWFJFHSA-N 1 3 376.508 3.513 40 0 GHABHO CNc1cc(C[N@@H+](C)Cc2cccc3ncccc23)nc([C@H]2CCCCN2)n1 ZINC000019709942 860328447 /nfs/dbraw/zinc/32/84/47/860328447.db2.gz KFNKINDUYUYQBE-HXUWFJFHSA-N 1 3 376.508 3.513 40 0 GHABHO CC[N@@H+]1CCC[C@H]1CN(Cc1cccn1-c1ccncc1)Cc1ccccn1 ZINC000019527162 210256883 /nfs/dbraw/zinc/25/68/83/210256883.db2.gz WBFOYEVIEONDNU-QFIPXVFZSA-N 1 3 375.520 3.754 40 0 GHABHO CC[N@H+]1CCC[C@H]1CN(Cc1cccn1-c1ccncc1)Cc1ccccn1 ZINC000019527162 210256887 /nfs/dbraw/zinc/25/68/87/210256887.db2.gz WBFOYEVIEONDNU-QFIPXVFZSA-N 1 3 375.520 3.754 40 0 GHABHO C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)CN1CCCCCC1 ZINC000257212764 212003602 /nfs/dbraw/zinc/00/36/02/212003602.db2.gz CEWNQZZFFMILQZ-ACUMWEPGSA-N 1 3 395.591 3.605 40 0 GHABHO Cc1cc(N2CCN(Cc3ccc4ncccc4c3)CC2)cc([C@H]2CCC[NH2+]2)n1 ZINC000019698043 210282211 /nfs/dbraw/zinc/28/22/11/210282211.db2.gz PRJYUDMVAQQUMQ-HSZRJFAPSA-N 1 3 387.531 3.685 40 0 GHABHO [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCCCC2)CC1 ZINC000257291528 570903515 /nfs/dbraw/zinc/90/35/15/570903515.db2.gz QHJMFIMYDAPYPO-CUWPLCDZSA-N 1 3 375.532 3.624 40 0 GHABHO Cc1cccc(CN2CCC(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000039754585 570447356 /nfs/dbraw/zinc/44/73/56/570447356.db2.gz PHHBRCQYBSRHBY-SFTDATJTSA-N 1 3 385.596 3.691 40 0 GHABHO CC(C)Oc1cccc(CN2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1 ZINC000019450846 210249120 /nfs/dbraw/zinc/24/91/20/210249120.db2.gz WKFMADNTLUMHQE-UHFFFAOYSA-N 1 3 380.536 3.631 40 0 GHABHO CC(C)Oc1cccc(CN2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c1 ZINC000019450846 210249125 /nfs/dbraw/zinc/24/91/25/210249125.db2.gz WKFMADNTLUMHQE-UHFFFAOYSA-N 1 3 380.536 3.631 40 0 GHABHO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(CN(C)C)cc2)cc1 ZINC000012344896 570645177 /nfs/dbraw/zinc/64/51/77/570645177.db2.gz WOLVAHREUCUDPY-RIKCKFAHSA-N 1 3 380.532 3.771 40 0 GHABHO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(CN(C)C)cc2)cc1 ZINC000012344896 570645179 /nfs/dbraw/zinc/64/51/79/570645179.db2.gz WOLVAHREUCUDPY-RIKCKFAHSA-N 1 3 380.532 3.771 40 0 GHABHO Cc1ccc(C[N@H+]2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1C ZINC000019213934 210230336 /nfs/dbraw/zinc/23/03/36/210230336.db2.gz WTMKQNWXZNEUSL-FQEVSTJZSA-N 1 3 377.536 3.599 40 0 GHABHO Cc1ccc(C[N@@H+]2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1C ZINC000019213934 210230339 /nfs/dbraw/zinc/23/03/39/210230339.db2.gz WTMKQNWXZNEUSL-FQEVSTJZSA-N 1 3 377.536 3.599 40 0 GHABHO Cc1noc(C)c1CN1CCC2(CC1)C[N@@H+](C1CCOCC1)Cc1ccccc12 ZINC000096242608 211322969 /nfs/dbraw/zinc/32/29/69/211322969.db2.gz HJGYLJVCQADLDY-UHFFFAOYSA-N 1 3 395.547 3.820 40 0 GHABHO Cc1noc(C)c1CN1CCC2(CC1)C[N@H+](C1CCOCC1)Cc1ccccc12 ZINC000096242608 211322973 /nfs/dbraw/zinc/32/29/73/211322973.db2.gz HJGYLJVCQADLDY-UHFFFAOYSA-N 1 3 395.547 3.820 40 0 GHABHO COc1ccc(OCCN(C)Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)cc1 ZINC000019586158 210272619 /nfs/dbraw/zinc/27/26/19/210272619.db2.gz GIUXJDBIZFHGPF-KRWDZBQOSA-N 1 3 394.519 3.549 40 0 GHABHO O=C(NCCC[NH+]1CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000022913679 570334303 /nfs/dbraw/zinc/33/43/03/570334303.db2.gz ZHXIATCIFQPJBX-UHFFFAOYSA-N 1 3 391.559 3.851 40 0 GHABHO Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1 ZINC000039757659 570449140 /nfs/dbraw/zinc/44/91/40/570449140.db2.gz UHKAJOMQFOZNDA-NHCUHLMSSA-N 1 3 385.596 3.691 40 0 GHABHO Cc1ccc(C[N@@H+]2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1C ZINC000019213932 210230358 /nfs/dbraw/zinc/23/03/58/210230358.db2.gz WTMKQNWXZNEUSL-HXUWFJFHSA-N 1 3 377.536 3.599 40 0 GHABHO Cc1ccc(C[N@H+]2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1C ZINC000019213932 210230356 /nfs/dbraw/zinc/23/03/56/210230356.db2.gz WTMKQNWXZNEUSL-HXUWFJFHSA-N 1 3 377.536 3.599 40 0 GHABHO Fc1ccc(-c2cccc(CN3CCc4nnc([C@@H]5CCC[NH2+]5)n4CC3)c2)cc1 ZINC000019706416 210283705 /nfs/dbraw/zinc/28/37/05/210283705.db2.gz FFHFTXNRFPPSMP-NRFANRHFSA-N 1 3 391.494 3.567 40 0 GHABHO CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2CC(C)(C)C[NH+](C)C ZINC000019017591 221393941 /nfs/dbraw/zinc/39/39/41/221393941.db2.gz GSZPBBMFDRTOPB-DNVJHFABSA-N 1 3 385.596 3.833 40 0 GHABHO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccn1-c1ccncc1)Cc1cccnc1 ZINC000019527191 570997872 /nfs/dbraw/zinc/99/78/72/570997872.db2.gz JOXSFIYXKLPXOU-JOCHJYFZSA-N 1 3 375.520 3.754 40 0 GHABHO CC[N@H+]1CCC[C@@H]1CN(Cc1cccn1-c1ccncc1)Cc1cccnc1 ZINC000019527191 570997875 /nfs/dbraw/zinc/99/78/75/570997875.db2.gz JOXSFIYXKLPXOU-JOCHJYFZSA-N 1 3 375.520 3.754 40 0 GHABHO CNc1cc(C[N@H+](C)Cc2cccc3ncccc23)nc([C@@H]2CCCCN2)n1 ZINC000019709941 860328292 /nfs/dbraw/zinc/32/82/92/860328292.db2.gz KFNKINDUYUYQBE-FQEVSTJZSA-N 1 3 376.508 3.513 40 0 GHABHO CNc1cc(C[N@@H+](C)Cc2cccc3ncccc23)nc([C@@H]2CCCCN2)n1 ZINC000019709941 860328303 /nfs/dbraw/zinc/32/83/03/860328303.db2.gz KFNKINDUYUYQBE-FQEVSTJZSA-N 1 3 376.508 3.513 40 0 GHABHO [NH3+]C[C@H]1CC[C@H](C(=O)NC[C@H](c2ccc(F)cc2)N2CCCCCC2)CC1 ZINC000257291529 570903525 /nfs/dbraw/zinc/90/35/25/570903525.db2.gz QHJMFIMYDAPYPO-YFVAEKQCSA-N 1 3 375.532 3.624 40 0 GHABHO COc1ccc(OCCN(C)Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)cc1 ZINC000019586156 571015636 /nfs/dbraw/zinc/01/56/36/571015636.db2.gz GIUXJDBIZFHGPF-QGZVFWFLSA-N 1 3 394.519 3.549 40 0 GHABHO COc1ccccc1C1(O)CC[NH+](CC2CCN(Cc3ccccc3)CC2)CC1 ZINC000012293079 221176157 /nfs/dbraw/zinc/17/61/57/221176157.db2.gz XPYAIPMTUKVJBN-UHFFFAOYSA-N 1 3 394.559 3.891 40 0 GHABHO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096220981 222398649 /nfs/dbraw/zinc/39/86/49/222398649.db2.gz QOTMFDATKSQDMX-OAQYLSRUSA-N 1 3 394.515 3.671 40 0 GHABHO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096220981 222398653 /nfs/dbraw/zinc/39/86/53/222398653.db2.gz QOTMFDATKSQDMX-OAQYLSRUSA-N 1 3 394.515 3.671 40 0 GHABHO Cc1ccc(CN2CCC(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000039757658 570449056 /nfs/dbraw/zinc/44/90/56/570449056.db2.gz UHKAJOMQFOZNDA-SFTDATJTSA-N 1 3 385.596 3.691 40 0 GHABHO Cc1onc(C(=O)NC(C)(C)C[N@H+]2CCC[C@@H](C)C2)c1CN1CCCCCC1 ZINC000019579534 571012735 /nfs/dbraw/zinc/01/27/35/571012735.db2.gz LTQXITAEXKBACB-QGZVFWFLSA-N 1 3 390.572 3.599 40 0 GHABHO Cc1onc(C(=O)NC(C)(C)C[N@@H+]2CCC[C@@H](C)C2)c1CN1CCCCCC1 ZINC000019579534 571012740 /nfs/dbraw/zinc/01/27/40/571012740.db2.gz LTQXITAEXKBACB-QGZVFWFLSA-N 1 3 390.572 3.599 40 0 GHABHO Fc1ccc(-c2cccc(CN3CCc4nnc([C@H]5CCC[NH2+]5)n4CC3)c2)cc1 ZINC000019706418 571032265 /nfs/dbraw/zinc/03/22/65/571032265.db2.gz FFHFTXNRFPPSMP-OAQYLSRUSA-N 1 3 391.494 3.567 40 0 GHABHO CC[NH2+][C@H]1C[C@@H](c2ccccc2)OC2(CCN(Cc3cn(C)nc3C)CC2)C1 ZINC000019712777 856427398 /nfs/dbraw/zinc/42/73/98/856427398.db2.gz JOROXVZQAJXMMX-VXKWHMMOSA-N 1 3 382.552 3.593 40 0 GHABHO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000047303562 570653896 /nfs/dbraw/zinc/65/38/96/570653896.db2.gz BDQPUUJJACTPJZ-UHFFFAOYSA-N 1 3 391.559 3.811 40 0 GHABHO COC[C@H]1CC2(CN1Cc1ccccn1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096051796 222375487 /nfs/dbraw/zinc/37/54/87/222375487.db2.gz OUFGANBEMXYQAG-HXUWFJFHSA-N 1 3 385.577 3.955 40 0 GHABHO Cc1ccc(CN2CCC(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000039757657 570449192 /nfs/dbraw/zinc/44/91/92/570449192.db2.gz UHKAJOMQFOZNDA-OYRHEFFESA-N 1 3 385.596 3.691 40 0 GHABHO Cc1ccc(CN2CCC(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000039757657 570449196 /nfs/dbraw/zinc/44/91/96/570449196.db2.gz UHKAJOMQFOZNDA-OYRHEFFESA-N 1 3 385.596 3.691 40 0 GHABHO COc1ccc(C[N@H+](C)C2CCC3(CC2)CNCc2ccccc2O3)cc1OC ZINC000019586414 571015687 /nfs/dbraw/zinc/01/56/87/571015687.db2.gz LQCCCZSLXTVKGP-UHFFFAOYSA-N 1 3 396.531 3.999 40 0 GHABHO COc1ccc(C[N@@H+](C)C2CCC3(CC2)CNCc2ccccc2O3)cc1OC ZINC000019586414 571015691 /nfs/dbraw/zinc/01/56/91/571015691.db2.gz LQCCCZSLXTVKGP-UHFFFAOYSA-N 1 3 396.531 3.999 40 0 GHABHO COc1cccc(-c2ccc(CN3CCC([N@H+](C)CCN(C)C)CC3)cc2)c1 ZINC000019582444 571013709 /nfs/dbraw/zinc/01/37/09/571013709.db2.gz PYPSAWDPJOHZFY-UHFFFAOYSA-N 1 3 381.564 3.820 40 0 GHABHO COc1cccc(-c2ccc(CN3CCC([N@@H+](C)CCN(C)C)CC3)cc2)c1 ZINC000019582444 571013712 /nfs/dbraw/zinc/01/37/12/571013712.db2.gz PYPSAWDPJOHZFY-UHFFFAOYSA-N 1 3 381.564 3.820 40 0 GHABHO C[NH+](C)CCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21 ZINC000012240547 221171608 /nfs/dbraw/zinc/17/16/08/221171608.db2.gz QWAXVVFXKPJNRJ-UHFFFAOYSA-N 1 3 395.522 3.826 40 0 GHABHO