smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(CN2CC[N@H+](Cc3cc(Cl)ccc3O)C[C@@H]2CCO)n1 ZINC000096865197 570232813 /nfs/dbraw/zinc/23/28/13/570232813.db2.gz CJOSCGTUAXWAKI-IBGZPJMESA-N 1 1 375.900 2.818 50 10 GFCAMO Cc1cccc(CN2CC[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]2CCO)n1 ZINC000096865197 570232814 /nfs/dbraw/zinc/23/28/14/570232814.db2.gz CJOSCGTUAXWAKI-IBGZPJMESA-N 1 1 375.900 2.818 50 10 GFCAMO Cc1cc(C(=O)C[NH+]2CCC(C)CC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000013041051 570743586 /nfs/dbraw/zinc/74/35/86/570743586.db2.gz RAEJDSPZHHCALD-UHFFFAOYSA-N 1 1 389.521 2.656 50 10 GFCAMO COc1ccc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)c(O)c1 ZINC000020166390 570245639 /nfs/dbraw/zinc/24/56/39/570245639.db2.gz XTLSGTPPMWYOBB-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(C[N@@H+]2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c(O)c1 ZINC000020166390 570245642 /nfs/dbraw/zinc/24/56/42/570245642.db2.gz XTLSGTPPMWYOBB-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(C[N@H+]2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c(O)c1 ZINC000020166390 570245644 /nfs/dbraw/zinc/24/56/44/570245644.db2.gz XTLSGTPPMWYOBB-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(N2CCN(C(=O)CC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000032776700 570799088 /nfs/dbraw/zinc/79/90/88/570799088.db2.gz ZRJZZKFBSBEZOZ-UHFFFAOYSA-N 1 1 379.504 2.792 50 10 GFCAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c(O)c1 ZINC000022853412 570331404 /nfs/dbraw/zinc/33/14/04/570331404.db2.gz YIALBQZDFDJXAA-QGZVFWFLSA-N 1 1 392.446 2.748 50 10 GFCAMO Cc1cc(=O)oc2c(C)c(O)c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc12 ZINC000409413650 231202408 /nfs/dbraw/zinc/20/24/08/231202408.db2.gz JQWPLZQCYRQAOX-CVEARBPZSA-N 1 1 392.455 2.896 50 10 GFCAMO Cc1cc(=O)oc2c(C)c(O)c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc12 ZINC000409413650 231202410 /nfs/dbraw/zinc/20/24/10/231202410.db2.gz JQWPLZQCYRQAOX-CVEARBPZSA-N 1 1 392.455 2.896 50 10 GFCAMO COc1ccc(O)c(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023374570 570358281 /nfs/dbraw/zinc/35/82/81/570358281.db2.gz HQVPQNFWKWUNCD-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(O)c(C[N@@H+]2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023374570 570358283 /nfs/dbraw/zinc/35/82/83/570358283.db2.gz HQVPQNFWKWUNCD-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(O)c(C[N@H+]2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023374570 570358284 /nfs/dbraw/zinc/35/82/84/570358284.db2.gz HQVPQNFWKWUNCD-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(N2CC[NH+](CCNc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000021629778 204759883 /nfs/dbraw/zinc/75/98/83/204759883.db2.gz ZHPHWMCEMGOKHV-UHFFFAOYSA-N 1 1 379.464 2.979 50 10 GFCAMO CCOc1cccc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c1O ZINC000020118491 570241504 /nfs/dbraw/zinc/24/15/04/570241504.db2.gz XUDDVNUVYXAABR-FQEVSTJZSA-N 1 1 385.508 2.563 50 10 GFCAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1O ZINC000023129803 570345796 /nfs/dbraw/zinc/34/57/96/570345796.db2.gz OSODXLBUXSYQFB-KRWDZBQOSA-N 1 1 392.446 2.748 50 10 GFCAMO CCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccc(N(C)C)cc1)CC2)C(C)C ZINC000012149641 204377563 /nfs/dbraw/zinc/37/75/63/204377563.db2.gz JWNOTTYOGGJHAY-OAQYLSRUSA-N 1 1 398.555 2.626 50 10 GFCAMO C[NH+]1CCN(c2ccc(CN3CCC[C@H]3c3ccc(C(N)=O)s3)cc2)CC1 ZINC000019228720 207108818 /nfs/dbraw/zinc/10/88/18/207108818.db2.gz GGXATKZRYDYOSQ-SFHVURJKSA-N 1 1 384.549 2.936 50 10 GFCAMO COc1cccc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)c1O ZINC000020774054 207213845 /nfs/dbraw/zinc/21/38/45/207213845.db2.gz YKNWZOKVVDBCIJ-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1cccc(C[N@@H+]2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1O ZINC000020774054 207213850 /nfs/dbraw/zinc/21/38/50/207213850.db2.gz YKNWZOKVVDBCIJ-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1cccc(C[N@H+]2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1O ZINC000020774054 207213854 /nfs/dbraw/zinc/21/38/54/207213854.db2.gz YKNWZOKVVDBCIJ-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NN1CC[NH+](C)CC1 ZINC000100423267 208375978 /nfs/dbraw/zinc/37/59/78/208375978.db2.gz USNAYTHGJXAKIO-JXAWBTAJSA-N 1 1 398.536 2.825 50 10 GFCAMO CN(C)c1ccc(C[NH+]2CCN(CC(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000022751924 207259406 /nfs/dbraw/zinc/25/94/06/207259406.db2.gz FWYCUPARLKLCRJ-UHFFFAOYSA-N 1 1 384.568 2.877 50 10 GFCAMO Cc1cccc(CN2CC[N@H+](Cc3cc(Cl)ccc3O)C[C@H]2CCO)n1 ZINC000104539778 570260054 /nfs/dbraw/zinc/26/00/54/570260054.db2.gz CJOSCGTUAXWAKI-LJQANCHMSA-N 1 1 375.900 2.818 50 10 GFCAMO Cc1cccc(CN2CC[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]2CCO)n1 ZINC000104539778 570260058 /nfs/dbraw/zinc/26/00/58/570260058.db2.gz CJOSCGTUAXWAKI-LJQANCHMSA-N 1 1 375.900 2.818 50 10 GFCAMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000014980561 207039442 /nfs/dbraw/zinc/03/94/42/207039442.db2.gz JVKNLZDDMVVQPO-HXUWFJFHSA-N 1 1 396.539 2.807 50 10 GFCAMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(C(=O)NC)cc2)cc1 ZINC000032797367 570819873 /nfs/dbraw/zinc/81/98/73/570819873.db2.gz HDISCNAMBUHUFE-UHFFFAOYSA-N 1 1 382.508 2.963 50 10 GFCAMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C(=O)NC)cc2)cc1 ZINC000032797367 570819876 /nfs/dbraw/zinc/81/98/76/570819876.db2.gz HDISCNAMBUHUFE-UHFFFAOYSA-N 1 1 382.508 2.963 50 10 GFCAMO COc1ccc(N2CC[NH+](Cc3cc(=O)oc4cc5c(cc34)OCO5)CC2)cc1 ZINC000054220031 206278829 /nfs/dbraw/zinc/27/88/29/206278829.db2.gz QIEBXEBUDACELR-UHFFFAOYSA-N 1 1 394.427 2.853 50 10 GFCAMO COc1ccc(O)c(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1 ZINC000020783593 207214348 /nfs/dbraw/zinc/21/43/48/207214348.db2.gz APQUSVMXDQAESG-KRWDZBQOSA-N 1 1 392.446 2.748 50 10 GFCAMO COc1ccc(N2CCC([N@H+]3C[C@H]4CC[C@@H](C3)C(=O)N4CC3CC3)CC2)cc1 ZINC000095359630 536669567 /nfs/dbraw/zinc/66/95/67/536669567.db2.gz NOORGNGTRIOPJI-GHTZIAJQSA-N 1 1 383.536 2.997 50 10 GFCAMO COCCNc1cc(N2CC[NH+](C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006738014 570562597 /nfs/dbraw/zinc/56/25/97/570562597.db2.gz UATXLANIWXCZCU-UHFFFAOYSA-N 1 1 392.459 2.849 50 10 GFCAMO CN(C)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000007361863 570833685 /nfs/dbraw/zinc/83/36/85/570833685.db2.gz GTYARRKMIGRQOF-UHFFFAOYSA-N 1 1 380.492 2.715 50 10 GFCAMO CN(C)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000007361863 570833687 /nfs/dbraw/zinc/83/36/87/570833687.db2.gz GTYARRKMIGRQOF-UHFFFAOYSA-N 1 1 380.492 2.715 50 10 GFCAMO COc1ccc(N2CC[NH+](CCC(=O)Nc3nnc(C4CC4)s3)CC2)cc1 ZINC000013323211 570895078 /nfs/dbraw/zinc/89/50/78/570895078.db2.gz DBJDQOUUNKIRIJ-UHFFFAOYSA-N 1 1 387.509 2.575 50 10 GFCAMO C[NH+]1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 ZINC000020025467 207174357 /nfs/dbraw/zinc/17/43/57/207174357.db2.gz YTNCBLAZOJWFGY-WYMLVPIESA-N 1 1 395.575 2.504 50 10 GFCAMO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000026771520 654559416 /nfs/dbraw/zinc/55/94/16/654559416.db2.gz WUPFQEDVNYNDOH-OLZOCXBDSA-N 1 1 375.266 2.936 50 10 GFCAMO CCOc1cccc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)c1O ZINC000020598891 210350893 /nfs/dbraw/zinc/35/08/93/210350893.db2.gz IPQKBOPXQQPDEG-KRWDZBQOSA-N 1 1 376.522 2.921 50 10 GFCAMO CCOc1cccc(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)c1O ZINC000020598891 210350896 /nfs/dbraw/zinc/35/08/96/210350896.db2.gz IPQKBOPXQQPDEG-KRWDZBQOSA-N 1 1 376.522 2.921 50 10 GFCAMO CCOc1cccc(C[N@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)c1O ZINC000020598891 210350886 /nfs/dbraw/zinc/35/08/86/210350886.db2.gz IPQKBOPXQQPDEG-KRWDZBQOSA-N 1 1 376.522 2.921 50 10 GFCAMO CCn1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cn1 ZINC000020453732 210335643 /nfs/dbraw/zinc/33/56/43/210335643.db2.gz CSXKXYJTKZALFF-NRFANRHFSA-N 1 1 383.540 2.698 50 10 GFCAMO CCn1cc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cn1 ZINC000020453732 210335648 /nfs/dbraw/zinc/33/56/48/210335648.db2.gz CSXKXYJTKZALFF-NRFANRHFSA-N 1 1 383.540 2.698 50 10 GFCAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc(CO)o4)C3)CC2)cc1 ZINC000023373301 570357882 /nfs/dbraw/zinc/35/78/82/570357882.db2.gz PHBPXEPLKGROMF-LJQANCHMSA-N 1 1 385.508 2.567 50 10 GFCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc(CO)o4)C3)CC2)cc1 ZINC000023373301 570357883 /nfs/dbraw/zinc/35/78/83/570357883.db2.gz PHBPXEPLKGROMF-LJQANCHMSA-N 1 1 385.508 2.567 50 10 GFCAMO COc1ccc(N2CCN(C(=O)CC[N@H+]3CCc4sccc4C3)CC2)cc1 ZINC000032776789 570799147 /nfs/dbraw/zinc/79/91/47/570799147.db2.gz JCJHAKPGXPWDDZ-UHFFFAOYSA-N 1 1 385.533 2.854 50 10 GFCAMO CCOc1cccc(C[N@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)c1O ZINC000039388260 570590955 /nfs/dbraw/zinc/59/09/55/570590955.db2.gz IPQKBOPXQQPDEG-QGZVFWFLSA-N 1 1 376.522 2.921 50 10 GFCAMO CCOc1cccc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)c1O ZINC000039388260 570590960 /nfs/dbraw/zinc/59/09/60/570590960.db2.gz IPQKBOPXQQPDEG-QGZVFWFLSA-N 1 1 376.522 2.921 50 10 GFCAMO CCOc1cccc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)c1O ZINC000039388260 570590964 /nfs/dbraw/zinc/59/09/64/570590964.db2.gz IPQKBOPXQQPDEG-QGZVFWFLSA-N 1 1 376.522 2.921 50 10 GFCAMO CCOc1cccc(C[N@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)c1O ZINC000039485036 570592928 /nfs/dbraw/zinc/59/29/28/570592928.db2.gz VOUMDVDAFHYTEL-GOSISDBHSA-N 1 1 376.522 2.921 50 10 GFCAMO COc1cccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1O ZINC000022852470 570331437 /nfs/dbraw/zinc/33/14/37/570331437.db2.gz OSODXLBUXSYQFB-QGZVFWFLSA-N 1 1 392.446 2.748 50 10 GFCAMO CN(C)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000007249604 570820402 /nfs/dbraw/zinc/82/04/02/570820402.db2.gz RPIXYJINUZEKQM-UHFFFAOYSA-N 1 1 380.492 2.950 50 10 GFCAMO CN(C)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000007249604 570820405 /nfs/dbraw/zinc/82/04/05/570820405.db2.gz RPIXYJINUZEKQM-UHFFFAOYSA-N 1 1 380.492 2.950 50 10 GFCAMO CC[C@H](C)NC(=O)c1coc(CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000034678020 570294463 /nfs/dbraw/zinc/29/44/63/570294463.db2.gz BMRNJTRQECSCEV-KRWDZBQOSA-N 1 1 399.539 2.587 50 10 GFCAMO Cc1noc(C)c1-c1n[nH]c2c1CN(c1nc(N(C)C)[nH+]c3c1CCCC3)CC2 ZINC000023215168 570350519 /nfs/dbraw/zinc/35/05/19/570350519.db2.gz TYAPHZCXHIRZFY-UHFFFAOYSA-N 1 1 393.495 2.979 50 10 GFCAMO COc1ccc(O)c(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)c1 ZINC000036379415 570564039 /nfs/dbraw/zinc/56/40/39/570564039.db2.gz HQVPQNFWKWUNCD-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(O)c(C[N@@H+]2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1 ZINC000036379415 570564041 /nfs/dbraw/zinc/56/40/41/570564041.db2.gz HQVPQNFWKWUNCD-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(O)c(C[N@H+]2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1 ZINC000036379415 570564044 /nfs/dbraw/zinc/56/40/44/570564044.db2.gz HQVPQNFWKWUNCD-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1cccc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)c1O ZINC000036379414 570564117 /nfs/dbraw/zinc/56/41/17/570564117.db2.gz YKNWZOKVVDBCIJ-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1cccc(C[N@@H+]2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1O ZINC000036379414 570564123 /nfs/dbraw/zinc/56/41/23/570564123.db2.gz YKNWZOKVVDBCIJ-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1cccc(C[N@H+]2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1O ZINC000036379414 570564126 /nfs/dbraw/zinc/56/41/26/570564126.db2.gz YKNWZOKVVDBCIJ-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO CCOc1cccc(CN2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)c1O ZINC000038145417 570578727 /nfs/dbraw/zinc/57/87/27/570578727.db2.gz HHZNTKHCALSYGC-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO CCOc1cccc(C[N@@H+]2CCN(CCc3ccccc3)[C@H](CCO)C2)c1O ZINC000038145417 570578729 /nfs/dbraw/zinc/57/87/29/570578729.db2.gz HHZNTKHCALSYGC-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO CCOc1cccc(C[N@H+]2CCN(CCc3ccccc3)[C@H](CCO)C2)c1O ZINC000038145417 570578731 /nfs/dbraw/zinc/57/87/31/570578731.db2.gz HHZNTKHCALSYGC-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c(O)c1 ZINC000019882871 570227697 /nfs/dbraw/zinc/22/76/97/570227697.db2.gz UTRSIPYEKSQUKC-UHFFFAOYSA-N 1 1 378.476 2.836 50 10 GFCAMO CC(NCCC[NH+]1CCOCC1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000100095556 570707082 /nfs/dbraw/zinc/70/70/82/570707082.db2.gz OBWBWRGLOHCOBT-JXAWBTAJSA-N 1 1 399.520 2.605 50 10 GFCAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cc(Cl)ccc2O)N1)OCCCO4 ZINC000009156265 221072872 /nfs/dbraw/zinc/07/28/72/221072872.db2.gz VMZNTBXLKWLXGD-MRXNPFEDSA-N 1 1 385.811 2.653 50 10 GFCAMO CCN(CC)C(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000012512047 221199935 /nfs/dbraw/zinc/19/99/35/221199935.db2.gz PJPYDQFASVETKG-MRXNPFEDSA-N 1 1 391.903 2.956 50 10 GFCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc(CO)o4)C3)CC2)cc1 ZINC000023373304 570357920 /nfs/dbraw/zinc/35/79/20/570357920.db2.gz PHBPXEPLKGROMF-IBGZPJMESA-N 1 1 385.508 2.567 50 10 GFCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc(CO)o4)C3)CC2)cc1 ZINC000023373304 570357921 /nfs/dbraw/zinc/35/79/21/570357921.db2.gz PHBPXEPLKGROMF-IBGZPJMESA-N 1 1 385.508 2.567 50 10 GFCAMO C/C(NN1CC[NH+](C)CC1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000009418969 204310361 /nfs/dbraw/zinc/31/03/61/204310361.db2.gz FUVULYHGOHDUCO-SILNSSARSA-N 1 1 393.466 2.603 50 10 GFCAMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3c3cccn3C)CC2)cc1 ZINC000006980008 524410172 /nfs/dbraw/zinc/41/01/72/524410172.db2.gz CLACSZYGNADMJL-OAQYLSRUSA-N 1 1 382.508 2.519 50 10 GFCAMO CCOc1cccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c1O ZINC000023375088 570358374 /nfs/dbraw/zinc/35/83/74/570358374.db2.gz BYXGCYQRPBXMSQ-FQEVSTJZSA-N 1 1 388.483 2.999 50 10 GFCAMO O=C1[C@H]2CC[C@H](C[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)N1CC1CC1 ZINC000095370313 136178492 /nfs/dbraw/zinc/17/84/92/136178492.db2.gz PCRJNRXVAXFWAH-FXAWDEMLSA-N 1 1 397.519 2.717 50 10 GFCAMO COc1cccc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)c1O ZINC000000814090 570224766 /nfs/dbraw/zinc/22/47/66/570224766.db2.gz GAHKVZPBIUKCFK-UHFFFAOYSA-N 1 1 382.464 2.695 50 10 GFCAMO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2cccs2)[NH+]2CCCC2)cc1 ZINC000005098993 204111159 /nfs/dbraw/zinc/11/11/59/204111159.db2.gz PYBOEDLQRIVWID-QGZVFWFLSA-N 1 1 379.551 2.930 50 10 GFCAMO C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000004435023 204045021 /nfs/dbraw/zinc/04/50/21/204045021.db2.gz ZVWAYDAUKMSQGJ-UHFFFAOYSA-N 1 1 381.948 2.962 50 10 GFCAMO CCn1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cn1 ZINC000020453730 570258183 /nfs/dbraw/zinc/25/81/83/570258183.db2.gz CSXKXYJTKZALFF-OAQYLSRUSA-N 1 1 383.540 2.698 50 10 GFCAMO CCn1cc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cn1 ZINC000020453730 570258189 /nfs/dbraw/zinc/25/81/89/570258189.db2.gz CSXKXYJTKZALFF-OAQYLSRUSA-N 1 1 383.540 2.698 50 10 GFCAMO CN1CCc2cc([C@@H](CNS(=O)(=O)c3cccs3)[NH+]3CCCC3)ccc21 ZINC000008800936 205798460 /nfs/dbraw/zinc/79/84/60/205798460.db2.gz RGEQTBPBAZTUTA-GOSISDBHSA-N 1 1 391.562 2.856 50 10 GFCAMO CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022665752 570488065 /nfs/dbraw/zinc/48/80/65/570488065.db2.gz QMLINTGKJMGAHC-JOCHJYFZSA-N 1 1 384.499 2.891 50 10 GFCAMO CCOc1cccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c1O ZINC000039552344 205043221 /nfs/dbraw/zinc/04/32/21/205043221.db2.gz BYXGCYQRPBXMSQ-HXUWFJFHSA-N 1 1 388.483 2.999 50 10 GFCAMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCC[C@H]3c3cccn3C)CC2)cc1 ZINC000006980005 524410958 /nfs/dbraw/zinc/41/09/58/524410958.db2.gz CLACSZYGNADMJL-NRFANRHFSA-N 1 1 382.508 2.519 50 10 GFCAMO CCOc1ccc(N2CC[NH+](CCn3cnc4ccccc4c3=O)CC2)cc1 ZINC000089991138 535734980 /nfs/dbraw/zinc/73/49/80/535734980.db2.gz VRXREEWSDVEQDB-UHFFFAOYSA-N 1 1 378.476 2.617 50 10 GFCAMO CCOc1ccc(N2CC[NH+](CCNC(=S)NCc3ccccc3)CC2)cc1 ZINC000005063198 570427571 /nfs/dbraw/zinc/42/75/71/570427571.db2.gz UOFPZILHKRYETB-UHFFFAOYSA-N 1 1 398.576 2.872 50 10 GFCAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)CC2)cc1 ZINC000022914428 207263323 /nfs/dbraw/zinc/26/33/23/207263323.db2.gz OWACDPQMCFBINS-OAQYLSRUSA-N 1 1 383.540 2.524 50 10 GFCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cnn(C)c4C)C3)CC2)cc1 ZINC000022914428 207263325 /nfs/dbraw/zinc/26/33/25/207263325.db2.gz OWACDPQMCFBINS-OAQYLSRUSA-N 1 1 383.540 2.524 50 10 GFCAMO CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022665755 207259090 /nfs/dbraw/zinc/25/90/90/207259090.db2.gz QMLINTGKJMGAHC-QFIPXVFZSA-N 1 1 384.499 2.891 50 10 GFCAMO CN(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 ZINC000014980564 207037938 /nfs/dbraw/zinc/03/79/38/207037938.db2.gz JVKNLZDDMVVQPO-FQEVSTJZSA-N 1 1 396.539 2.807 50 10 GFCAMO CCOc1cccc(C[N@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)c1O ZINC000023357989 207275487 /nfs/dbraw/zinc/27/54/87/207275487.db2.gz VOUMDVDAFHYTEL-SFHVURJKSA-N 1 1 376.522 2.921 50 10 GFCAMO CCNc1cc(N2CC[NH+](CCO)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020322353 207188083 /nfs/dbraw/zinc/18/80/83/207188083.db2.gz SIOCEEWDVLSDSS-UHFFFAOYSA-N 1 1 392.459 2.585 50 10 GFCAMO COc1ccc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)c(O)c1 ZINC000036379413 570564161 /nfs/dbraw/zinc/56/41/61/570564161.db2.gz XTLSGTPPMWYOBB-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(C[N@@H+]2CCN(CCCc3ccccc3)[C@H](CCO)C2)c(O)c1 ZINC000036379413 570564165 /nfs/dbraw/zinc/56/41/65/570564165.db2.gz XTLSGTPPMWYOBB-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(C[N@H+]2CCN(CCCc3ccccc3)[C@H](CCO)C2)c(O)c1 ZINC000036379413 570564168 /nfs/dbraw/zinc/56/41/68/570564168.db2.gz XTLSGTPPMWYOBB-OAQYLSRUSA-N 1 1 384.520 2.902 50 10 GFCAMO COc1ccc(O)c(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1 ZINC000039405895 570590650 /nfs/dbraw/zinc/59/06/50/570590650.db2.gz APQUSVMXDQAESG-QGZVFWFLSA-N 1 1 392.446 2.748 50 10 GFCAMO CC1(C)CC(NC=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)CC(C)(C)[NH2+]1 ZINC000001270482 206370037 /nfs/dbraw/zinc/37/00/37/206370037.db2.gz CEUZYUZLOMQXLD-FOWTUZBSSA-N 1 1 384.480 2.888 50 10 GFCAMO CN(C)c1ccc(CN(C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022436832 207253542 /nfs/dbraw/zinc/25/35/42/207253542.db2.gz NOGIZUDOHNMNLS-UHFFFAOYSA-N 1 1 396.535 2.926 50 10 GFCAMO CC[NH+]1CCN(c2cc(NCCO)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737959 570562254 /nfs/dbraw/zinc/56/22/54/570562254.db2.gz NTKJQEQLVBTVQB-UHFFFAOYSA-N 1 1 392.459 2.585 50 10 GFCAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000011821562 570586271 /nfs/dbraw/zinc/58/62/71/570586271.db2.gz QKVDUQALPQSUHX-UYAOXDASSA-N 1 1 375.900 2.550 50 10 GFCAMO CCOc1cccc(CN2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)c1O ZINC000019224380 210232723 /nfs/dbraw/zinc/23/27/23/210232723.db2.gz HHZNTKHCALSYGC-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO CCOc1cccc(C[N@@H+]2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1O ZINC000019224380 210232726 /nfs/dbraw/zinc/23/27/26/210232726.db2.gz HHZNTKHCALSYGC-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO CCOc1cccc(C[N@H+]2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1O ZINC000019224380 210232731 /nfs/dbraw/zinc/23/27/31/210232731.db2.gz HHZNTKHCALSYGC-NRFANRHFSA-N 1 1 384.520 2.902 50 10 GFCAMO CN(C)c1ccc([C@H](CNS(=O)(=O)c2cccs2)[NH+]2CCCC2)cc1 ZINC000005098994 551096492 /nfs/dbraw/zinc/09/64/92/551096492.db2.gz PYBOEDLQRIVWID-KRWDZBQOSA-N 1 1 379.551 2.930 50 10 GFCAMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000006822502 570623293 /nfs/dbraw/zinc/62/32/93/570623293.db2.gz MNEWWUWOOMCZHE-CQSZACIVSA-N 1 1 389.521 2.656 50 10 GFCAMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000006822502 570623296 /nfs/dbraw/zinc/62/32/96/570623296.db2.gz MNEWWUWOOMCZHE-CQSZACIVSA-N 1 1 389.521 2.656 50 10 GFCAMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000006822500 570623315 /nfs/dbraw/zinc/62/33/15/570623315.db2.gz MNEWWUWOOMCZHE-AWEZNQCLSA-N 1 1 389.521 2.656 50 10 GFCAMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](C)C2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000006822500 570623317 /nfs/dbraw/zinc/62/33/17/570623317.db2.gz MNEWWUWOOMCZHE-AWEZNQCLSA-N 1 1 389.521 2.656 50 10 GFCAMO CN1CCN(c2ccc(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000067629729 211012833 /nfs/dbraw/zinc/01/28/33/211012833.db2.gz IHJWBPUYZAMASJ-UHFFFAOYSA-N 1 1 392.547 2.964 50 10 GFCAMO C[NH+]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 ZINC000019893341 210306171 /nfs/dbraw/zinc/30/61/71/210306171.db2.gz YTNCBLAZOJWFGY-OWBHPGMISA-N 1 1 395.575 2.504 50 10 GFCAMO CC[C@@H](C)NC(=O)c1coc(CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)n1 ZINC000034678019 570294456 /nfs/dbraw/zinc/29/44/56/570294456.db2.gz BMRNJTRQECSCEV-QGZVFWFLSA-N 1 1 399.539 2.587 50 10 GFCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cnn(C)c4C)C3)CC2)cc1 ZINC000022914433 570334559 /nfs/dbraw/zinc/33/45/59/570334559.db2.gz OWACDPQMCFBINS-NRFANRHFSA-N 1 1 383.540 2.524 50 10 GFCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cnn(C)c4C)C3)CC2)cc1 ZINC000022914433 570334561 /nfs/dbraw/zinc/33/45/61/570334561.db2.gz OWACDPQMCFBINS-NRFANRHFSA-N 1 1 383.540 2.524 50 10 GFCAMO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c(O)c1 ZINC000023145726 570346943 /nfs/dbraw/zinc/34/69/43/570346943.db2.gz YIALBQZDFDJXAA-KRWDZBQOSA-N 1 1 392.446 2.748 50 10 GFCAMO C[NH+]1CCC(OC(=O)c2c3ccccn3c3c2C(=O)c2ccccc2C3=O)CC1 ZINC000032899633 570895366 /nfs/dbraw/zinc/89/53/66/570895366.db2.gz ARBQAKDCFJVWHE-UHFFFAOYSA-N 1 1 388.423 2.966 50 10 GFCAMO Oc1cc2c(cc1C[NH+]1CCN(CCOc3ccc(Cl)cc3)CC1)OCO2 ZINC000023471873 570363284 /nfs/dbraw/zinc/36/32/84/570363284.db2.gz MDCRLEUSEKIIRR-UHFFFAOYSA-N 1 1 390.867 2.971 50 10 GFCAMO Oc1cc2c(cc1CN1CC[NH+](CCOc3ccc(Cl)cc3)CC1)OCO2 ZINC000023471873 570363287 /nfs/dbraw/zinc/36/32/87/570363287.db2.gz MDCRLEUSEKIIRR-UHFFFAOYSA-N 1 1 390.867 2.971 50 10 GFCAMO Cc1[nH+]ccn1-c1cncc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000089735895 136175622 /nfs/dbraw/zinc/17/56/22/136175622.db2.gz SJCNFOBZYZECOO-UHFFFAOYSA-N 1 1 382.443 2.683 50 10 GFCAMO CC(C)NC(=S)N(CCC[NH+]1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000020549708 570267589 /nfs/dbraw/zinc/26/75/89/570267589.db2.gz RONWNHLHGMTDPK-UHFFFAOYSA-N 1 1 378.586 2.560 50 10 GFCAMO CCS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000035349284 570343437 /nfs/dbraw/zinc/34/34/37/570343437.db2.gz JFIZZHDUTITVRZ-OAQYLSRUSA-N 1 1 387.549 2.791 50 10 GFCAMO CCS(=O)(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349284 570343438 /nfs/dbraw/zinc/34/34/38/570343438.db2.gz JFIZZHDUTITVRZ-OAQYLSRUSA-N 1 1 387.549 2.791 50 10 GFCAMO CCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccc(N(C)C)cc1)CC2)C(C)C ZINC000012149640 221160653 /nfs/dbraw/zinc/16/06/53/221160653.db2.gz JWNOTTYOGGJHAY-NRFANRHFSA-N 1 1 398.555 2.626 50 10 GFCAMO COc1cccc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c1O ZINC000019850552 570225827 /nfs/dbraw/zinc/22/58/27/570225827.db2.gz RYIRHWNORFTXAB-UHFFFAOYSA-N 1 1 378.476 2.836 50 10 GFCAMO CCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000020583021 570268802 /nfs/dbraw/zinc/26/88/02/570268802.db2.gz CEQQYUSCGSOOAS-UHFFFAOYSA-N 1 1 392.613 2.952 50 10 GFCAMO CCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000035349283 570343464 /nfs/dbraw/zinc/34/34/64/570343464.db2.gz JFIZZHDUTITVRZ-NRFANRHFSA-N 1 1 387.549 2.791 50 10 GFCAMO CCS(=O)(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000035349283 570343467 /nfs/dbraw/zinc/34/34/67/570343467.db2.gz JFIZZHDUTITVRZ-NRFANRHFSA-N 1 1 387.549 2.791 50 10 GFCAMO COc1ccc(N2CC[N@@H+](Cc3cccc(OCC(N)=O)c3)CC2(C)C)cc1 ZINC000072159284 136167185 /nfs/dbraw/zinc/16/71/85/136167185.db2.gz CXJQQVKGTHNYLL-UHFFFAOYSA-N 1 1 383.492 2.660 50 10 GFCAMO CCOc1cccc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1O ZINC000039500186 570592566 /nfs/dbraw/zinc/59/25/66/570592566.db2.gz XUDDVNUVYXAABR-HXUWFJFHSA-N 1 1 385.508 2.563 50 10 GFCAMO