smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@H](CNC(=O)CCc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)cc1 ZINC000793573849 1078225651 /nfs/dbraw/zinc/22/56/51/1078225651.db2.gz QPUHNSLYVSHGSO-SFHVURJKSA-N 1 2 401.511 2.791 20 10 HFCDLO CN(C)c1ccc([C@H](CNC(=O)CCc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000793573849 1078225656 /nfs/dbraw/zinc/22/56/56/1078225656.db2.gz QPUHNSLYVSHGSO-SFHVURJKSA-N 1 2 401.511 2.791 20 10 HFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000787332691 1076745003 /nfs/dbraw/zinc/74/50/03/1076745003.db2.gz UGBTWRIAAGAWFW-YHEJKZAPSA-N 1 2 409.486 2.591 20 10 HFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000787332691 1076745021 /nfs/dbraw/zinc/74/50/21/1076745021.db2.gz UGBTWRIAAGAWFW-YHEJKZAPSA-N 1 2 409.486 2.591 20 10 HFCDLO CC(C)[C@H](C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[NH+](C)C ZINC000787964065 1077010975 /nfs/dbraw/zinc/01/09/75/1077010975.db2.gz VZCRCINRXMTKMT-VBKZILBWSA-N 1 2 422.481 2.918 20 10 HFCDLO Cc1cc(C)c([C@@H](C)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)c(O)c1 ZINC000788730077 1077274131 /nfs/dbraw/zinc/27/41/31/1077274131.db2.gz QRJCAJGNFQIKLZ-MRXNPFEDSA-N 1 2 404.536 2.659 20 10 HFCDLO Cc1cc(C)c([C@H](C)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)c(O)c1 ZINC000788730076 1077274210 /nfs/dbraw/zinc/27/42/10/1077274210.db2.gz QRJCAJGNFQIKLZ-INIZCTEOSA-N 1 2 404.536 2.659 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3sc(CC4CC4)nc3C)CC2)cc1 ZINC000788824120 1077310355 /nfs/dbraw/zinc/31/03/55/1077310355.db2.gz YLIGJOVJVKDBIF-UHFFFAOYSA-N 1 2 414.575 2.965 20 10 HFCDLO CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC000746979100 1077314923 /nfs/dbraw/zinc/31/49/23/1077314923.db2.gz CSNWDHWHULXXDY-IBGZPJMESA-N 1 2 400.498 2.592 20 10 HFCDLO CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC000746979100 1077314928 /nfs/dbraw/zinc/31/49/28/1077314928.db2.gz CSNWDHWHULXXDY-IBGZPJMESA-N 1 2 400.498 2.592 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3oc(CC(C)C)nc3C)CC2)cc1 ZINC000789747019 1077779646 /nfs/dbraw/zinc/77/96/46/1077779646.db2.gz BLZGRKCIBTVMNM-UHFFFAOYSA-N 1 2 400.523 2.742 20 10 HFCDLO O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)c1c(F)ccc(O)c1O ZINC000790068857 1077920598 /nfs/dbraw/zinc/92/05/98/1077920598.db2.gz FVUPYHZEIQMCOA-UHFFFAOYSA-N 1 2 401.482 2.565 20 10 HFCDLO Cc1cccn2cc(CCNC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)[nH+]c12 ZINC000806537555 1079775630 /nfs/dbraw/zinc/77/56/30/1079775630.db2.gz LSBLSRHNSKODBB-UHFFFAOYSA-N 1 2 419.529 2.559 20 10 HFCDLO O=C(NCc1cc(Br)ccc1O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000807386921 1080583013 /nfs/dbraw/zinc/58/30/13/1080583013.db2.gz QLYXBTLVEFMTBQ-UHFFFAOYSA-N 1 2 415.247 2.595 20 10 HFCDLO O=C1/C(=C/c2ccnn2-c2ccccc2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000790626779 1078081662 /nfs/dbraw/zinc/08/16/62/1078081662.db2.gz AZLLCYALQIVKTE-SDXDJHTJSA-N 1 2 414.556 2.796 20 10 HFCDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000793119831 1078084239 /nfs/dbraw/zinc/08/42/39/1078084239.db2.gz GFTXMZRJKDFAFO-UHFFFAOYSA-N 1 2 418.419 2.915 20 10 HFCDLO O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCn2c[nH+]cc2C1 ZINC000793530380 1078212463 /nfs/dbraw/zinc/21/24/63/1078212463.db2.gz NNAHOEJMVPFWMM-DHDCSXOGSA-N 1 2 418.569 2.968 20 10 HFCDLO C[C@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000793912985 1078336468 /nfs/dbraw/zinc/33/64/68/1078336468.db2.gz FOWCFFQHAJQEIU-HNNXBMFYSA-N 1 2 409.465 2.571 20 10 HFCDLO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1cccc(Br)c1O ZINC000793967036 1078349119 /nfs/dbraw/zinc/34/91/19/1078349119.db2.gz AIBLNYZZYDRXFI-UHFFFAOYSA-N 1 2 404.268 2.621 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000805023335 1078835533 /nfs/dbraw/zinc/83/55/33/1078835533.db2.gz FUAYLBCBVBFHSB-LJQANCHMSA-N 1 2 409.534 2.668 20 10 HFCDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805091817 1078918061 /nfs/dbraw/zinc/91/80/61/1078918061.db2.gz QUYFQDULQAYASG-KNQAVFIVSA-N 1 2 400.567 2.928 20 10 HFCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000807101388 1080281045 /nfs/dbraw/zinc/28/10/45/1080281045.db2.gz XHKZXOIQPISNST-UHFFFAOYSA-N 1 2 411.550 2.593 20 10 HFCDLO COc1cc(Cl)cc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c1O ZINC000793607142 1078223508 /nfs/dbraw/zinc/22/35/08/1078223508.db2.gz OYGKNWAXQNRWGO-UHFFFAOYSA-N 1 2 410.923 2.863 20 10 HFCDLO COc1cc(Cl)cc(C[N@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c1O ZINC000793607142 1078223510 /nfs/dbraw/zinc/22/35/10/1078223510.db2.gz OYGKNWAXQNRWGO-UHFFFAOYSA-N 1 2 410.923 2.863 20 10 HFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000793716016 1078263314 /nfs/dbraw/zinc/26/33/14/1078263314.db2.gz CHGGMWGCBACJTM-UHFFFAOYSA-N 1 2 419.529 2.992 20 10 HFCDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792836014 1078008835 /nfs/dbraw/zinc/00/88/35/1078008835.db2.gz PVLRQULUDDYTOL-INIZCTEOSA-N 1 2 412.500 2.900 20 10 HFCDLO CC(C)[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[NH+]1CCN(C)CC1 ZINC000806361667 1079649036 /nfs/dbraw/zinc/64/90/36/1079649036.db2.gz PDLMZHLUSRABLL-MRXNPFEDSA-N 1 2 403.354 2.770 20 10 HFCDLO C[NH+]1CCN(c2ncccc2CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805003661 1078848762 /nfs/dbraw/zinc/84/87/62/1078848762.db2.gz SEGIQHVSYWWXEA-UHFFFAOYSA-N 1 2 424.332 2.845 20 10 HFCDLO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1O ZINC000806145556 1079466636 /nfs/dbraw/zinc/46/66/36/1079466636.db2.gz CQZCQXKKZWJRLX-CQSZACIVSA-N 1 2 413.883 2.973 20 10 HFCDLO CN1CCCc2cc(CNC(=O)Nc3ccccc3C(=O)N3CC[NH+](C)CC3)ccc21 ZINC000746762085 1077280592 /nfs/dbraw/zinc/28/05/92/1077280592.db2.gz KNGCWQHEFVLYRH-UHFFFAOYSA-N 1 2 421.545 2.778 20 10 HFCDLO Cc1cc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c(C)n1-c1ccccn1 ZINC000790156369 1077960900 /nfs/dbraw/zinc/96/09/00/1077960900.db2.gz CKBGBXHJGKWYFR-UHFFFAOYSA-N 1 2 403.486 2.585 20 10 HFCDLO Cc1cc(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c(C)n1-c1ccccn1 ZINC000790156369 1077960901 /nfs/dbraw/zinc/96/09/01/1077960901.db2.gz CKBGBXHJGKWYFR-UHFFFAOYSA-N 1 2 403.486 2.585 20 10 HFCDLO COc1ccc(N2CCN(C(=O)Cn3c(C)[nH+]c4cc(F)c(F)cc43)CC2)cc1 ZINC000792801981 1077996028 /nfs/dbraw/zinc/99/60/28/1077996028.db2.gz UFEHOUKQZMFOMW-UHFFFAOYSA-N 1 2 400.429 2.980 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCO[C@@H](C(C)(C)C)C3)cc2F)C[C@H](C)O1 ZINC000790431924 1078028792 /nfs/dbraw/zinc/02/87/92/1078028792.db2.gz ULNWTBKUZIHZPX-LLGFUMIMSA-N 1 2 421.557 2.802 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCO[C@@H](C(C)(C)C)C3)cc2F)C[C@H](C)O1 ZINC000790431924 1078028795 /nfs/dbraw/zinc/02/87/95/1078028795.db2.gz ULNWTBKUZIHZPX-LLGFUMIMSA-N 1 2 421.557 2.802 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(O)ccc3C(F)(F)F)CC2)cc1 ZINC000793247965 1078109525 /nfs/dbraw/zinc/10/95/25/1078109525.db2.gz XBIYRGITOFDBCX-UHFFFAOYSA-N 1 2 423.435 2.972 20 10 HFCDLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000793865756 1078327792 /nfs/dbraw/zinc/32/77/92/1078327792.db2.gz NRXMZLOQHNUBNT-UHFFFAOYSA-N 1 2 419.481 2.646 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)cc2)CC1 ZINC000805024996 1078836224 /nfs/dbraw/zinc/83/62/24/1078836224.db2.gz MNDMWHONENQHHN-QHCPKHFHSA-N 1 2 420.557 2.842 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)cc2)CC1 ZINC000805024996 1078836231 /nfs/dbraw/zinc/83/62/31/1078836231.db2.gz MNDMWHONENQHHN-QHCPKHFHSA-N 1 2 420.557 2.842 20 10 HFCDLO CCN1CC[NH+](C[C@H](C)CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805181255 1078965626 /nfs/dbraw/zinc/96/56/26/1078965626.db2.gz SXYBUNGSPPSABW-CYBMUJFWSA-N 1 2 403.354 2.772 20 10 HFCDLO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1O ZINC000806134415 1079435065 /nfs/dbraw/zinc/43/50/65/1079435065.db2.gz KQEUBQKFAHXESN-INIZCTEOSA-N 1 2 413.883 2.973 20 10 HFCDLO CC[C@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1cccc(Cl)c1O ZINC000806148513 1079467456 /nfs/dbraw/zinc/46/74/56/1079467456.db2.gz VAFPHZXIANGESY-KRWDZBQOSA-N 1 2 412.943 2.673 20 10 HFCDLO CN1CCCc2cc(CNC(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)ccc21 ZINC000746984951 1077321114 /nfs/dbraw/zinc/32/11/14/1077321114.db2.gz IGDNIMCVSCKEEM-JOCHJYFZSA-N 1 2 408.546 2.769 20 10 HFCDLO CN1CCCc2cc(CNC(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc21 ZINC000746984951 1077321120 /nfs/dbraw/zinc/32/11/20/1077321120.db2.gz IGDNIMCVSCKEEM-JOCHJYFZSA-N 1 2 408.546 2.769 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)cc2F)C[C@@H](C)O1 ZINC000789959077 1077869762 /nfs/dbraw/zinc/86/97/62/1077869762.db2.gz NXTICLDNMVRCBX-DRSNIGMVSA-N 1 2 419.541 2.699 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3COCC[N@H+]3C3CCCC3)cc2F)C[C@@H](C)O1 ZINC000789959077 1077869769 /nfs/dbraw/zinc/86/97/69/1077869769.db2.gz NXTICLDNMVRCBX-DRSNIGMVSA-N 1 2 419.541 2.699 20 10 HFCDLO COc1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(O)c1 ZINC000793134079 1078087402 /nfs/dbraw/zinc/08/74/02/1078087402.db2.gz PXKJDALIFVJPDI-UXHICEINSA-N 1 2 419.909 2.925 20 10 HFCDLO COc1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(O)c1 ZINC000793134079 1078087409 /nfs/dbraw/zinc/08/74/09/1078087409.db2.gz PXKJDALIFVJPDI-UXHICEINSA-N 1 2 419.909 2.925 20 10 HFCDLO CCCCNc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)nc(N)[nH+]1 ZINC000804613159 1078661584 /nfs/dbraw/zinc/66/15/84/1078661584.db2.gz BNOULCOFEWIVSU-UHFFFAOYSA-N 1 2 416.526 2.623 20 10 HFCDLO CCCCNc1cc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)[nH+]c(N)n1 ZINC000804613159 1078661588 /nfs/dbraw/zinc/66/15/88/1078661588.db2.gz BNOULCOFEWIVSU-UHFFFAOYSA-N 1 2 416.526 2.623 20 10 HFCDLO CC(C)(C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[NH+]1CCCC1 ZINC000805614092 1079175659 /nfs/dbraw/zinc/17/56/59/1079175659.db2.gz AARJGBYNPRFHIU-UHFFFAOYSA-N 1 2 420.465 2.818 20 10 HFCDLO CC(C)[C@H](C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[NH+](C)C ZINC000787964062 1077011006 /nfs/dbraw/zinc/01/10/06/1077011006.db2.gz VZCRCINRXMTKMT-JLTOFOAXSA-N 1 2 422.481 2.918 20 10 HFCDLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788936271 1077369633 /nfs/dbraw/zinc/36/96/33/1077369633.db2.gz JJWOTLLTOZHWRA-HXUWFJFHSA-N 1 2 420.557 2.636 20 10 HFCDLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788936271 1077369640 /nfs/dbraw/zinc/36/96/40/1077369640.db2.gz JJWOTLLTOZHWRA-HXUWFJFHSA-N 1 2 420.557 2.636 20 10 HFCDLO Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000791348168 1077389969 /nfs/dbraw/zinc/38/99/69/1077389969.db2.gz NZIWNZOPIKJWOO-UHFFFAOYSA-N 1 2 401.444 2.615 20 10 HFCDLO Cc1cccn2cc(CCNC(=O)C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)[nH+]c12 ZINC000806538195 1079810170 /nfs/dbraw/zinc/81/01/70/1079810170.db2.gz YIFMIOBEIJSRPE-UHFFFAOYSA-N 1 2 421.545 2.805 20 10 HFCDLO CCCN1C(=O)CC[C@@H](C(=O)N[C@@H](C)c2cc(OC)ccc2O)[C@@H]1c1c[nH+]cn1C ZINC000793687815 1078256866 /nfs/dbraw/zinc/25/68/66/1078256866.db2.gz CIQLGUSQDUVXCT-CMPZQBNXSA-N 1 2 414.506 2.701 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000805026762 1078838399 /nfs/dbraw/zinc/83/83/99/1078838399.db2.gz ZXCPAYRIXRSWQZ-UGKGYDQZSA-N 1 2 423.561 2.845 20 10 HFCDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805091818 1078918035 /nfs/dbraw/zinc/91/80/35/1078918035.db2.gz QUYFQDULQAYASG-SIKLNZKXSA-N 1 2 400.567 2.928 20 10 HFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000788653227 1077227183 /nfs/dbraw/zinc/22/71/83/1077227183.db2.gz WAKSYAJPSSNUQN-UHFFFAOYSA-N 1 2 423.561 2.670 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCO[C@H](C(C)(C)C)C3)cc2F)C[C@@H](C)O1 ZINC000790431925 1078028858 /nfs/dbraw/zinc/02/88/58/1078028858.db2.gz ULNWTBKUZIHZPX-LZJOCLMNSA-N 1 2 421.557 2.802 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCO[C@H](C(C)(C)C)C3)cc2F)C[C@@H](C)O1 ZINC000790431925 1078028864 /nfs/dbraw/zinc/02/88/64/1078028864.db2.gz ULNWTBKUZIHZPX-LZJOCLMNSA-N 1 2 421.557 2.802 20 10 HFCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000793869564 1078328573 /nfs/dbraw/zinc/32/85/73/1078328573.db2.gz XARZBWPDTAOERX-UHFFFAOYSA-N 1 2 415.559 2.757 20 10 HFCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000793869564 1078328578 /nfs/dbraw/zinc/32/85/78/1078328578.db2.gz XARZBWPDTAOERX-UHFFFAOYSA-N 1 2 415.559 2.757 20 10 HFCDLO O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccc(Cn2cc[nH+]c2)c1 ZINC001129661308 1078622556 /nfs/dbraw/zinc/62/25/56/1078622556.db2.gz JMIHKMDYNOZUTR-UHFFFAOYSA-N 1 2 412.440 2.976 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1F ZINC000804851481 1078720710 /nfs/dbraw/zinc/72/07/10/1078720710.db2.gz DAZNXXNRQYDIIX-FQEVSTJZSA-N 1 2 412.509 2.591 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1F ZINC000804851481 1078720718 /nfs/dbraw/zinc/72/07/18/1078720718.db2.gz DAZNXXNRQYDIIX-FQEVSTJZSA-N 1 2 412.509 2.591 20 10 HFCDLO C[NH+]1CCN(c2cc(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)ccn2)CC1 ZINC000804917199 1078738831 /nfs/dbraw/zinc/73/88/31/1078738831.db2.gz HECSIPDZYNXGAF-UHFFFAOYSA-N 1 2 424.332 2.845 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000805026752 1078838596 /nfs/dbraw/zinc/83/85/96/1078838596.db2.gz ZMWIJLRUKRCSOX-NRFANRHFSA-N 1 2 409.534 2.599 20 10 HFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000787332690 1076744428 /nfs/dbraw/zinc/74/44/28/1076744428.db2.gz UGBTWRIAAGAWFW-LBUQITIBSA-N 1 2 409.486 2.591 20 10 HFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000787332690 1076744435 /nfs/dbraw/zinc/74/44/35/1076744435.db2.gz UGBTWRIAAGAWFW-LBUQITIBSA-N 1 2 409.486 2.591 20 10 HFCDLO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(O)c3O)cc2Br)CC1 ZINC000787676064 1076890435 /nfs/dbraw/zinc/89/04/35/1076890435.db2.gz SVTAHDGRZQCSBO-UHFFFAOYSA-N 1 2 406.280 2.864 20 10 HFCDLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000788846505 1077318064 /nfs/dbraw/zinc/31/80/64/1077318064.db2.gz JDSZPNVZWPUPBG-UHFFFAOYSA-N 1 2 424.545 2.945 20 10 HFCDLO CNS(=O)(=O)c1cccc2c1CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C2 ZINC000789492040 1077593461 /nfs/dbraw/zinc/59/34/61/1077593461.db2.gz SXZDQQNYPQYUPL-UHFFFAOYSA-N 1 2 404.532 2.862 20 10 HFCDLO CNS(=O)(=O)c1cccc2c1CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C2 ZINC000789492040 1077593465 /nfs/dbraw/zinc/59/34/65/1077593465.db2.gz SXZDQQNYPQYUPL-UHFFFAOYSA-N 1 2 404.532 2.862 20 10 HFCDLO COc1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)c(O)c1 ZINC000793134083 1078087381 /nfs/dbraw/zinc/08/73/81/1078087381.db2.gz PXKJDALIFVJPDI-WOJBJXKFSA-N 1 2 419.909 2.925 20 10 HFCDLO COc1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)c(O)c1 ZINC000793134083 1078087386 /nfs/dbraw/zinc/08/73/86/1078087386.db2.gz PXKJDALIFVJPDI-WOJBJXKFSA-N 1 2 419.909 2.925 20 10 HFCDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805091819 1078918075 /nfs/dbraw/zinc/91/80/75/1078918075.db2.gz QUYFQDULQAYASG-UGKGYDQZSA-N 1 2 400.567 2.928 20 10 HFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000787332689 1076744466 /nfs/dbraw/zinc/74/44/66/1076744466.db2.gz UGBTWRIAAGAWFW-JIGPKXGUSA-N 1 2 409.486 2.591 20 10 HFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000787332689 1076744476 /nfs/dbraw/zinc/74/44/76/1076744476.db2.gz UGBTWRIAAGAWFW-JIGPKXGUSA-N 1 2 409.486 2.591 20 10 HFCDLO CCOC(=O)[C@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C1CCOCC1 ZINC000789580844 1077665066 /nfs/dbraw/zinc/66/50/66/1077665066.db2.gz MIERKQVGZSTALE-OAHLLOKOSA-N 1 2 402.285 2.611 20 10 HFCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000789752109 1077783312 /nfs/dbraw/zinc/78/33/12/1077783312.db2.gz HCRKYQJIDVHWQV-HZPDHXFCSA-N 1 2 417.941 2.594 20 10 HFCDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792836015 1078008748 /nfs/dbraw/zinc/00/87/48/1078008748.db2.gz PVLRQULUDDYTOL-MRXNPFEDSA-N 1 2 412.500 2.900 20 10 HFCDLO CN(C)c1ccc([C@H](CNC(=O)CCc2[nH]cc[nH+]2)NC(=O)OC(C)(C)C)cc1 ZINC000806944845 1080153242 /nfs/dbraw/zinc/15/32/42/1080153242.db2.gz LKUTVHOAPBEKOF-KRWDZBQOSA-N 1 2 401.511 2.791 20 10 HFCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000807095338 1080274304 /nfs/dbraw/zinc/27/43/04/1080274304.db2.gz CPFIEVPBXOEJCY-UHFFFAOYSA-N 1 2 423.561 2.616 20 10 HFCDLO COc1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(O)c1 ZINC000793134077 1078087434 /nfs/dbraw/zinc/08/74/34/1078087434.db2.gz PXKJDALIFVJPDI-PMACEKPBSA-N 1 2 419.909 2.925 20 10 HFCDLO COc1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(O)c1 ZINC000793134077 1078087437 /nfs/dbraw/zinc/08/74/37/1078087437.db2.gz PXKJDALIFVJPDI-PMACEKPBSA-N 1 2 419.909 2.925 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000805026753 1078838524 /nfs/dbraw/zinc/83/85/24/1078838524.db2.gz ZMWIJLRUKRCSOX-OAQYLSRUSA-N 1 2 409.534 2.599 20 10 HFCDLO Cn1cnc(/C=C\C(=O)N(CCCn2cc[nH+]c2)c2ccc(Br)cn2)c1 ZINC001130211079 1079088524 /nfs/dbraw/zinc/08/85/24/1079088524.db2.gz UOSXYNFNURJLCK-XQRVVYSFSA-N 1 2 415.295 2.911 20 10 HFCDLO CC[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1O ZINC000806134531 1079435154 /nfs/dbraw/zinc/43/51/54/1079435154.db2.gz LGUWNIDXQIPLFZ-MRXNPFEDSA-N 1 2 413.883 2.973 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNC(=O)C(F)(F)Cc3ccccc3)CC2)cc1 ZINC000793247742 1078109508 /nfs/dbraw/zinc/10/95/08/1078109508.db2.gz SGNOTIMXSHATBP-UHFFFAOYSA-N 1 2 403.473 2.811 20 10 HFCDLO CCCN1C(=O)CC[C@@H](C(=O)N[C@H](C)c2cc(OC)ccc2O)[C@@H]1c1c[nH+]cn1C ZINC000793687818 1078256887 /nfs/dbraw/zinc/25/68/87/1078256887.db2.gz CIQLGUSQDUVXCT-IUSZMWJPSA-N 1 2 414.506 2.701 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000804853505 1078723684 /nfs/dbraw/zinc/72/36/84/1078723684.db2.gz ZIAHNOLDCOBWID-OXJNMPFZSA-N 1 2 415.513 2.594 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000804853506 1078723742 /nfs/dbraw/zinc/72/37/42/1078723742.db2.gz ZIAHNOLDCOBWID-OXQOHEQNSA-N 1 2 415.513 2.594 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccn4cc[nH+]c4c3)cc2)CC1 ZINC000805024585 1078836862 /nfs/dbraw/zinc/83/68/62/1078836862.db2.gz KCEMCDUEOLBGFX-UHFFFAOYSA-N 1 2 405.502 2.503 20 10 HFCDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805091816 1078918016 /nfs/dbraw/zinc/91/80/16/1078918016.db2.gz QUYFQDULQAYASG-DENIHFKCSA-N 1 2 400.567 2.928 20 10 HFCDLO CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1cccc(Cl)c1O ZINC000806146788 1079467041 /nfs/dbraw/zinc/46/70/41/1079467041.db2.gz QMBMDRNYRGFVFS-QGZVFWFLSA-N 1 2 412.939 2.899 20 10 HFCDLO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000788940581 1077371295 /nfs/dbraw/zinc/37/12/95/1077371295.db2.gz XTUPECSOCXRKTJ-UHFFFAOYSA-N 1 2 423.561 2.819 20 10 HFCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000806989717 1080168808 /nfs/dbraw/zinc/16/88/08/1080168808.db2.gz OOUXDNBGKFWQHJ-UHFFFAOYSA-N 1 2 405.502 2.599 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3csc(C(F)(F)F)n3)CC2)cc1 ZINC000793247448 1078109541 /nfs/dbraw/zinc/10/95/41/1078109541.db2.gz OSXOFPKZGNCACP-UHFFFAOYSA-N 1 2 414.453 2.723 20 10 HFCDLO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc(Br)c2O)[C@@H](C)C1 ZINC000793591908 1078217629 /nfs/dbraw/zinc/21/76/29/1078217629.db2.gz SZLYYVPLKFQHJY-QWRGUYRKSA-N 1 2 422.161 2.804 20 10 HFCDLO C[C@H](O)C[N@H+]1CCN(Cc2cc(Br)cc(Br)c2O)[C@@H](C)C1 ZINC000793591908 1078217632 /nfs/dbraw/zinc/21/76/32/1078217632.db2.gz SZLYYVPLKFQHJY-QWRGUYRKSA-N 1 2 422.161 2.804 20 10 HFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)c2C)cc1 ZINC000787331280 1076744038 /nfs/dbraw/zinc/74/40/38/1076744038.db2.gz KTZWHBVSSYJXTM-KPLVRAHFSA-N 1 2 423.513 2.649 20 10 HFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)c2C)cc1 ZINC000787331280 1076744046 /nfs/dbraw/zinc/74/40/46/1076744046.db2.gz KTZWHBVSSYJXTM-KPLVRAHFSA-N 1 2 423.513 2.649 20 10 HFCDLO CN(C)c1ccc(CNC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000746718411 1077012398 /nfs/dbraw/zinc/01/23/98/1077012398.db2.gz FAXXHWXTLGANGM-UHFFFAOYSA-N 1 2 400.498 2.723 20 10 HFCDLO COc1ccc(N2CC[NH+](CCCNC(=O)c3[nH]nc4c3CCCCC4)CC2)cc1 ZINC000788733486 1077284646 /nfs/dbraw/zinc/28/46/46/1077284646.db2.gz NCQLNKMYMKVHAF-UHFFFAOYSA-N 1 2 411.550 2.629 20 10 HFCDLO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000791246357 1077357615 /nfs/dbraw/zinc/35/76/15/1077357615.db2.gz NNXRDTYAPIILER-MRXNPFEDSA-N 1 2 407.580 2.812 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000791554020 1077475949 /nfs/dbraw/zinc/47/59/49/1077475949.db2.gz QFPLLJSFWFRFNZ-FSBGXSNOSA-N 1 2 419.541 2.555 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000791554020 1077475954 /nfs/dbraw/zinc/47/59/54/1077475954.db2.gz QFPLLJSFWFRFNZ-FSBGXSNOSA-N 1 2 419.541 2.555 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ncsc3C(F)(F)F)CC2)cc1 ZINC000792096546 1077713467 /nfs/dbraw/zinc/71/34/67/1077713467.db2.gz KFJGVNAJFZGSAG-UHFFFAOYSA-N 1 2 414.453 2.723 20 10 HFCDLO CCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(N(C)C)cc2C)[C@@H]1c1c[nH+]cn1C ZINC000793516407 1078197599 /nfs/dbraw/zinc/19/75/99/1078197599.db2.gz TWJSAUGYRDFZIC-DENIHFKCSA-N 1 2 411.550 2.801 20 10 HFCDLO C[N@@H+]1CCN(Cc2cccc(Br)c2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605514 1078223532 /nfs/dbraw/zinc/22/35/32/1078223532.db2.gz VHYUNPCAJSBFSN-CQSZACIVSA-N 1 2 414.344 2.795 20 10 HFCDLO C[N@H+]1CCN(Cc2cccc(Br)c2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605514 1078223534 /nfs/dbraw/zinc/22/35/34/1078223534.db2.gz VHYUNPCAJSBFSN-CQSZACIVSA-N 1 2 414.344 2.795 20 10 HFCDLO CC[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1O ZINC000806134530 1079435089 /nfs/dbraw/zinc/43/50/89/1079435089.db2.gz LGUWNIDXQIPLFZ-INIZCTEOSA-N 1 2 413.883 2.973 20 10 HFCDLO CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[NH+](C)C ZINC000787964073 1077010923 /nfs/dbraw/zinc/01/09/23/1077010923.db2.gz VZCRCINRXMTKMT-XOBRGWDASA-N 1 2 422.481 2.918 20 10 HFCDLO O=C(c1cc2ccccc2s1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000788381572 1077136769 /nfs/dbraw/zinc/13/67/69/1077136769.db2.gz JFBBIDFRIFZFQC-GOSISDBHSA-N 1 2 410.495 2.991 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cccnc3C(F)(F)F)CC2)cc1 ZINC000788586835 1077213458 /nfs/dbraw/zinc/21/34/58/1077213458.db2.gz BVWKTPBZTAJNTK-UHFFFAOYSA-N 1 2 408.424 2.661 20 10 HFCDLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000788929022 1077339742 /nfs/dbraw/zinc/33/97/42/1077339742.db2.gz FDYRAPFABNFQMK-UHFFFAOYSA-N 1 2 420.557 2.556 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000788976757 1077380982 /nfs/dbraw/zinc/38/09/82/1077380982.db2.gz BRHAHYUEQUORMQ-UHFFFAOYSA-N 1 2 423.492 2.790 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1F ZINC000793717906 1078263822 /nfs/dbraw/zinc/26/38/22/1078263822.db2.gz LABFFMLBHSBJFU-UHFFFAOYSA-N 1 2 423.492 2.790 20 10 HFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)c2C)cc1 ZINC000787331285 1076744526 /nfs/dbraw/zinc/74/45/26/1076744526.db2.gz KTZWHBVSSYJXTM-LRXVAGHRSA-N 1 2 423.513 2.649 20 10 HFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)c2C)cc1 ZINC000787331285 1076744532 /nfs/dbraw/zinc/74/45/32/1076744532.db2.gz KTZWHBVSSYJXTM-LRXVAGHRSA-N 1 2 423.513 2.649 20 10 HFCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000788855032 1077334662 /nfs/dbraw/zinc/33/46/62/1077334662.db2.gz NHUBGBXYYDYBJN-UHFFFAOYSA-N 1 2 423.561 2.527 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)cc2F)C[C@@H](C)O1 ZINC000791554034 1077475972 /nfs/dbraw/zinc/47/59/72/1077475972.db2.gz QFPLLJSFWFRFNZ-QNFHRHJVSA-N 1 2 419.541 2.555 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3C[C@H](C)O[C@@H](C4CC4)C3)cc2F)C[C@@H](C)O1 ZINC000791554034 1077475975 /nfs/dbraw/zinc/47/59/75/1077475975.db2.gz QFPLLJSFWFRFNZ-QNFHRHJVSA-N 1 2 419.541 2.555 20 10 HFCDLO CCOC(=O)[C@@H]([NH2+]Cc1cc(Br)cc(OC)c1O)C1CCOCC1 ZINC000789580843 1077665036 /nfs/dbraw/zinc/66/50/36/1077665036.db2.gz MIERKQVGZSTALE-HNNXBMFYSA-N 1 2 402.285 2.611 20 10 HFCDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000789752111 1077783013 /nfs/dbraw/zinc/78/30/13/1077783013.db2.gz HCRKYQJIDVHWQV-JKSUJKDBSA-N 1 2 417.941 2.594 20 10 HFCDLO COc1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c(C)c1OC ZINC000806549861 1079787845 /nfs/dbraw/zinc/78/78/45/1079787845.db2.gz ZZZJKBBLJAXOIF-GHRIWEEISA-N 1 2 422.572 2.936 20 10 HFCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000807101528 1080281022 /nfs/dbraw/zinc/28/10/22/1080281022.db2.gz ZEPUFLMLSMNGHS-IBGZPJMESA-N 1 2 423.561 2.616 20 10 HFCDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000807281605 1080441668 /nfs/dbraw/zinc/44/16/68/1080441668.db2.gz XYKIZDQBQQBBPU-GOSISDBHSA-N 1 2 400.866 2.916 20 10 HFCDLO Nc1cc(COC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc[nH+]1 ZINC000787579656 1076871292 /nfs/dbraw/zinc/87/12/92/1076871292.db2.gz XJDQDJVYWPUEOL-UHFFFAOYSA-N 1 2 403.350 2.704 20 10 HFCDLO COc1cc(N2CC[NH+]([C@@H]3CCc4ccccc4NC3=O)CC2)cc(OC)c1OC ZINC000792288479 1077776626 /nfs/dbraw/zinc/77/66/26/1077776626.db2.gz XVKWVZWPUKLWNP-LJQANCHMSA-N 1 2 411.502 2.788 20 10 HFCDLO Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000807101532 1080280985 /nfs/dbraw/zinc/28/09/85/1080280985.db2.gz ZEPUFLMLSMNGHS-LJQANCHMSA-N 1 2 423.561 2.616 20 10 HFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000787328975 1076771132 /nfs/dbraw/zinc/77/11/32/1076771132.db2.gz AHKFARWYGIEMSI-XAEMIUIASA-N 1 2 423.513 2.634 20 10 HFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000787328975 1076771140 /nfs/dbraw/zinc/77/11/40/1076771140.db2.gz AHKFARWYGIEMSI-XAEMIUIASA-N 1 2 423.513 2.634 20 10 HFCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCCCNc1cccc[nH+]1 ZINC000788648097 1077224429 /nfs/dbraw/zinc/22/44/29/1077224429.db2.gz XEXHRNMMGKVVFZ-UHFFFAOYSA-N 1 2 409.534 2.649 20 10 HFCDLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCc3ccc(N4CCCC4)cc3)CC2)c1 ZINC000788931670 1077341274 /nfs/dbraw/zinc/34/12/74/1077341274.db2.gz JIJUBSFSXORCGI-UHFFFAOYSA-N 1 2 420.557 2.556 20 10 HFCDLO COc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c(C)c1OC ZINC000806549862 1079787791 /nfs/dbraw/zinc/78/77/91/1079787791.db2.gz ZZZJKBBLJAXOIF-LGMDPLHJSA-N 1 2 422.572 2.936 20 10 HFCDLO C[C@@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000793912994 1078336491 /nfs/dbraw/zinc/33/64/91/1078336491.db2.gz FOWCFFQHAJQEIU-OAHLLOKOSA-N 1 2 409.465 2.571 20 10 HFCDLO O=C(NCCCNc1cccc[nH+]1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000788640077 1077243179 /nfs/dbraw/zinc/24/31/79/1077243179.db2.gz QYNFUGBXEHHDPA-UHFFFAOYSA-N 1 2 408.458 2.527 20 10 HFCDLO O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000788882256 1077328901 /nfs/dbraw/zinc/32/89/01/1077328901.db2.gz BAHGVQJMIZNOOQ-LJQANCHMSA-N 1 2 414.481 2.545 20 10 HFCDLO Cc1cccn2cc(CCNC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)[nH+]c12 ZINC000746775621 1077366222 /nfs/dbraw/zinc/36/62/22/1077366222.db2.gz JJWHLFXCMMQNQT-UHFFFAOYSA-N 1 2 407.518 2.863 20 10 HFCDLO CCCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1c1c[nH+]cn1C ZINC000792876903 1078015861 /nfs/dbraw/zinc/01/58/61/1078015861.db2.gz AFDIJDUXIZRKLD-DENIHFKCSA-N 1 2 411.550 2.834 20 10 HFCDLO O=C(NCCCSc1nccs1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000806282257 1079544045 /nfs/dbraw/zinc/54/40/45/1079544045.db2.gz JGHUBLLIXCRXMA-UHFFFAOYSA-N 1 2 421.592 2.657 20 10 HFCDLO CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000793903344 1078333539 /nfs/dbraw/zinc/33/35/39/1078333539.db2.gz FSBSIFYBCUFURZ-UHFFFAOYSA-N 1 2 410.449 2.772 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000804853504 1078723781 /nfs/dbraw/zinc/72/37/81/1078723781.db2.gz ZIAHNOLDCOBWID-JXFKEZNVSA-N 1 2 415.513 2.594 20 10 HFCDLO CN1CCCc2cc(CNC(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)ccc21 ZINC000746984953 1077321037 /nfs/dbraw/zinc/32/10/37/1077321037.db2.gz IGDNIMCVSCKEEM-QFIPXVFZSA-N 1 2 408.546 2.769 20 10 HFCDLO CN1CCCc2cc(CNC(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)ccc21 ZINC000746984953 1077321042 /nfs/dbraw/zinc/32/10/42/1077321042.db2.gz IGDNIMCVSCKEEM-QFIPXVFZSA-N 1 2 408.546 2.769 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccn(C4CCCCC4)n3)CC2)cc1 ZINC000792096100 1077713703 /nfs/dbraw/zinc/71/37/03/1077713703.db2.gz GXXZPZLOTGTBNQ-UHFFFAOYSA-N 1 2 411.550 2.949 20 10 HFCDLO CN(C)c1ccc(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000792780432 1077999479 /nfs/dbraw/zinc/99/94/79/1077999479.db2.gz PJXAHGURNJCQOB-UHFFFAOYSA-N 1 2 412.500 2.902 20 10 HFCDLO CN(C)c1ccc(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000792780432 1077999481 /nfs/dbraw/zinc/99/94/81/1077999481.db2.gz PJXAHGURNJCQOB-UHFFFAOYSA-N 1 2 412.500 2.902 20 10 HFCDLO CCN1CC[NH+](CCCCNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000804954556 1078796489 /nfs/dbraw/zinc/79/64/89/1078796489.db2.gz FHEIXXYEWHIJAM-UHFFFAOYSA-N 1 2 403.354 2.916 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000805026760 1078838588 /nfs/dbraw/zinc/83/85/88/1078838588.db2.gz ZXCPAYRIXRSWQZ-KNQAVFIVSA-N 1 2 423.561 2.845 20 10 HFCDLO CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1O ZINC000806145555 1079466644 /nfs/dbraw/zinc/46/66/44/1079466644.db2.gz CQZCQXKKZWJRLX-AWEZNQCLSA-N 1 2 413.883 2.973 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cnn(-c4ccccc4F)c3)CC2)cc1 ZINC000746846194 1077727853 /nfs/dbraw/zinc/72/78/53/1077727853.db2.gz BYIRDWLFGJWTGH-UHFFFAOYSA-N 1 2 423.492 2.572 20 10 HFCDLO O=C1C[C@]2(CC[N@@H+](Cc3cc(Br)cc(Br)c3O)C2)CN1 ZINC000789768373 1077769422 /nfs/dbraw/zinc/76/94/22/1077769422.db2.gz MMFHFHIAMXBSDT-CQSZACIVSA-N 1 2 404.102 2.629 20 10 HFCDLO O=C1C[C@]2(CC[N@H+](Cc3cc(Br)cc(Br)c3O)C2)CN1 ZINC000789768373 1077769425 /nfs/dbraw/zinc/76/94/25/1077769425.db2.gz MMFHFHIAMXBSDT-CQSZACIVSA-N 1 2 404.102 2.629 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3COCC[N@@H+]3C3CCCC3)cc2F)C[C@H](C)O1 ZINC000789959078 1077869590 /nfs/dbraw/zinc/86/95/90/1077869590.db2.gz NXTICLDNMVRCBX-HYFFOGBASA-N 1 2 419.541 2.699 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3COCC[N@H+]3C3CCCC3)cc2F)C[C@H](C)O1 ZINC000789959078 1077869597 /nfs/dbraw/zinc/86/95/97/1077869597.db2.gz NXTICLDNMVRCBX-HYFFOGBASA-N 1 2 419.541 2.699 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)cc2F)C[C@H](C)O1 ZINC000789959079 1077870099 /nfs/dbraw/zinc/87/00/99/1077870099.db2.gz NXTICLDNMVRCBX-JKSBSHDWSA-N 1 2 419.541 2.699 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)cc2F)C[C@H](C)O1 ZINC000789959079 1077870101 /nfs/dbraw/zinc/87/01/01/1077870101.db2.gz NXTICLDNMVRCBX-JKSBSHDWSA-N 1 2 419.541 2.699 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCO[C@H](C(C)(C)C)C3)cc2F)C[C@H](C)O1 ZINC000790431923 1078028764 /nfs/dbraw/zinc/02/87/64/1078028764.db2.gz ULNWTBKUZIHZPX-FVJLSDCUSA-N 1 2 421.557 2.802 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCO[C@H](C(C)(C)C)C3)cc2F)C[C@H](C)O1 ZINC000790431923 1078028769 /nfs/dbraw/zinc/02/87/69/1078028769.db2.gz ULNWTBKUZIHZPX-FVJLSDCUSA-N 1 2 421.557 2.802 20 10 HFCDLO O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000807292112 1080478773 /nfs/dbraw/zinc/47/87/73/1080478773.db2.gz LUGIGEUSUKZSPA-UHFFFAOYSA-N 1 2 421.545 2.595 20 10 HFCDLO O=C1/C(=C\c2ccnn2-c2ccccc2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000790626778 1078081585 /nfs/dbraw/zinc/08/15/85/1078081585.db2.gz AZLLCYALQIVKTE-OBGWFSINSA-N 1 2 414.556 2.796 20 10 HFCDLO COc1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)c(O)c1 ZINC000793134081 1078087360 /nfs/dbraw/zinc/08/73/60/1078087360.db2.gz PXKJDALIFVJPDI-VQTJNVASSA-N 1 2 419.909 2.925 20 10 HFCDLO COc1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)c(O)c1 ZINC000793134081 1078087364 /nfs/dbraw/zinc/08/73/64/1078087364.db2.gz PXKJDALIFVJPDI-VQTJNVASSA-N 1 2 419.909 2.925 20 10 HFCDLO CCCN1C(=O)CC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H]1c1c[nH+]cn1C ZINC000793284699 1078118082 /nfs/dbraw/zinc/11/80/82/1078118082.db2.gz PYKRZPWHBZYFBO-AUSIDOKSSA-N 1 2 423.561 2.809 20 10 HFCDLO CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)cc(Br)c2O)CC1 ZINC000793281195 1078127426 /nfs/dbraw/zinc/12/74/26/1078127426.db2.gz PNBXVLUAQJXZAA-UHFFFAOYSA-N 1 2 413.131 2.584 20 10 HFCDLO CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)C2CC2)cc1 ZINC000793720018 1078265040 /nfs/dbraw/zinc/26/50/40/1078265040.db2.gz SYTPSQOORNEDIY-UHFFFAOYSA-N 1 2 417.513 2.746 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC(n4cc[nH+]c4)CC3)cc2)CC1 ZINC000805025374 1078838131 /nfs/dbraw/zinc/83/81/31/1078838131.db2.gz RECIALNWWVZNMH-UHFFFAOYSA-N 1 2 409.534 2.599 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)cc2F)C[C@H](C)O1 ZINC000791554026 1077476022 /nfs/dbraw/zinc/47/60/22/1077476022.db2.gz QFPLLJSFWFRFNZ-FSTVOOFJSA-N 1 2 419.541 2.555 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3C[C@@H](C4CC4)O[C@@H](C)C3)cc2F)C[C@H](C)O1 ZINC000791554026 1077476026 /nfs/dbraw/zinc/47/60/26/1077476026.db2.gz QFPLLJSFWFRFNZ-FSTVOOFJSA-N 1 2 419.541 2.555 20 10 HFCDLO CS(=O)(=O)Nc1ccc(N2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC000792173461 1077734147 /nfs/dbraw/zinc/73/41/47/1077734147.db2.gz XHEAGTVKYDRTKN-UHFFFAOYSA-N 1 2 413.902 2.878 20 10 HFCDLO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2cccc3nonc32)c1 ZINC000789750261 1077781892 /nfs/dbraw/zinc/78/18/92/1077781892.db2.gz OETZFAOYTJNXLU-UHFFFAOYSA-N 1 2 418.475 2.522 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)CC1 ZINC000805024667 1078836771 /nfs/dbraw/zinc/83/67/71/1078836771.db2.gz TVNUQVBYWNNRON-JOCHJYFZSA-N 1 2 422.529 2.614 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000747268209 1079259906 /nfs/dbraw/zinc/25/99/06/1079259906.db2.gz QVJZKCRXMYWYND-LICLKQGHSA-N 1 2 419.522 2.547 20 10 HFCDLO CC[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1O ZINC000806134417 1079435138 /nfs/dbraw/zinc/43/51/38/1079435138.db2.gz KQEUBQKFAHXESN-MRXNPFEDSA-N 1 2 413.883 2.973 20 10 HFCDLO Cc1cccn2cc(CCNC(=O)NCc3ccc(N4CCOCC4)c(F)c3)[nH+]c12 ZINC000746756408 1077246640 /nfs/dbraw/zinc/24/66/40/1077246640.db2.gz BBICICZXLFTFSH-UHFFFAOYSA-N 1 2 411.481 2.660 20 10 HFCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788770487 1077283518 /nfs/dbraw/zinc/28/35/18/1077283518.db2.gz UYZYMAIUJUHFIS-NRFANRHFSA-N 1 2 407.514 2.530 20 10 HFCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000788770487 1077283525 /nfs/dbraw/zinc/28/35/25/1077283525.db2.gz UYZYMAIUJUHFIS-NRFANRHFSA-N 1 2 407.514 2.530 20 10 HFCDLO CC[N@H+](CC(=O)NC(=O)c1ccc(OC)cc1)Cc1cc(Br)ccc1O ZINC000772797508 1077870100 /nfs/dbraw/zinc/87/01/00/1077870100.db2.gz FHUVZDPCXGHVIZ-UHFFFAOYSA-N 1 2 421.291 2.942 20 10 HFCDLO CC[N@@H+](CC(=O)NC(=O)c1ccc(OC)cc1)Cc1cc(Br)ccc1O ZINC000772797508 1077870102 /nfs/dbraw/zinc/87/01/02/1077870102.db2.gz FHUVZDPCXGHVIZ-UHFFFAOYSA-N 1 2 421.291 2.942 20 10 HFCDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000807282677 1080442227 /nfs/dbraw/zinc/44/22/27/1080442227.db2.gz QCTNZQKRHVSIMZ-IBGZPJMESA-N 1 2 414.893 2.845 20 10 HFCDLO CN(C)c1ccc([C@@H](CNC(=O)CCc2c[nH+]cn2C)NC(=O)OC(C)(C)C)cc1 ZINC000793569806 1078212368 /nfs/dbraw/zinc/21/23/68/1078212368.db2.gz DBTZKJHIRGKIBZ-LJQANCHMSA-N 1 2 415.538 2.801 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000805026759 1078838499 /nfs/dbraw/zinc/83/84/99/1078838499.db2.gz ZXCPAYRIXRSWQZ-DENIHFKCSA-N 1 2 423.561 2.845 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC(c4[nH]cc[nH+]4)CC3)cc2)CC1 ZINC000805020341 1078832206 /nfs/dbraw/zinc/83/22/06/1078832206.db2.gz RYDQSINUINUSMQ-UHFFFAOYSA-N 1 2 409.534 2.668 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000805023333 1078835448 /nfs/dbraw/zinc/83/54/48/1078835448.db2.gz FUAYLBCBVBFHSB-IBGZPJMESA-N 1 2 409.534 2.668 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC(c4c[nH]c[nH+]4)CC3)cc2)CC1 ZINC000805023190 1078835902 /nfs/dbraw/zinc/83/59/02/1078835902.db2.gz CONNYLQUOJSCJP-UHFFFAOYSA-N 1 2 409.534 2.668 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CCC(c4c[nH+]c[nH]4)CC3)cc2)CC1 ZINC000805023190 1078835909 /nfs/dbraw/zinc/83/59/09/1078835909.db2.gz CONNYLQUOJSCJP-UHFFFAOYSA-N 1 2 409.534 2.668 20 10 HFCDLO CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)CCO)c1cccc(Cl)c1O ZINC000806146786 1079467121 /nfs/dbraw/zinc/46/71/21/1079467121.db2.gz QMBMDRNYRGFVFS-KRWDZBQOSA-N 1 2 412.939 2.899 20 10 HFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000787332688 1076744967 /nfs/dbraw/zinc/74/49/67/1076744967.db2.gz UGBTWRIAAGAWFW-GIMINZRKSA-N 1 2 409.486 2.591 20 10 HFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000787332688 1076744976 /nfs/dbraw/zinc/74/49/76/1076744976.db2.gz UGBTWRIAAGAWFW-GIMINZRKSA-N 1 2 409.486 2.591 20 10 HFCDLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000807282678 1080442188 /nfs/dbraw/zinc/44/21/88/1080442188.db2.gz QCTNZQKRHVSIMZ-LJQANCHMSA-N 1 2 414.893 2.845 20 10 HFCDLO CN(c1ccc(CNC(=O)C(=O)NCCCCn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000793727619 1078268817 /nfs/dbraw/zinc/26/88/17/1078268817.db2.gz PNBSRQBZUXQPDU-UHFFFAOYSA-N 1 2 411.550 2.865 20 10 HFCDLO O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000788935128 1077369100 /nfs/dbraw/zinc/36/91/00/1077369100.db2.gz AVVMDQIRLPLNOU-UHFFFAOYSA-N 1 2 421.476 2.544 20 10 HFCDLO CN(C)c1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cn3)CC2)c(C(F)(F)F)c1 ZINC000792789005 1077991944 /nfs/dbraw/zinc/99/19/44/1077991944.db2.gz HHAMDEKIBAQUBQ-UHFFFAOYSA-N 1 2 407.440 2.588 20 10 HFCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000807512472 1080718736 /nfs/dbraw/zinc/71/87/36/1080718736.db2.gz WJIZCUXHFHBUTL-UHFFFAOYSA-N 1 2 406.229 2.535 20 10 HFCDLO CCCN1C(=O)CC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1c1c[nH+]cn1C ZINC000793279709 1078126320 /nfs/dbraw/zinc/12/63/20/1078126320.db2.gz HLSBXRTXIDWGSE-IIBYNOLFSA-N 1 2 415.513 2.631 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNS(=O)(=O)/C=C\c3ccc(F)cc3)CC2)cc1 ZINC000747268211 1079259715 /nfs/dbraw/zinc/25/97/15/1079259715.db2.gz QVJZKCRXMYWYND-YVLHZVERSA-N 1 2 419.522 2.547 20 10 HFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000787328972 1076771070 /nfs/dbraw/zinc/77/10/70/1076771070.db2.gz AHKFARWYGIEMSI-CEXJFXJFSA-N 1 2 423.513 2.634 20 10 HFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000787328972 1076771078 /nfs/dbraw/zinc/77/10/78/1076771078.db2.gz AHKFARWYGIEMSI-CEXJFXJFSA-N 1 2 423.513 2.634 20 10 HFCDLO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ncc(C(F)(F)F)s3)cc2)CC1 ZINC000788519972 1077189806 /nfs/dbraw/zinc/18/98/06/1077189806.db2.gz SBEWGRQEQIPASM-UHFFFAOYSA-N 1 2 405.467 2.687 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000788928427 1077339033 /nfs/dbraw/zinc/33/90/33/1077339033.db2.gz JQBMYUOLPJVHNW-UHFFFAOYSA-N 1 2 405.502 2.651 20 10 HFCDLO CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000791246356 1077357696 /nfs/dbraw/zinc/35/76/96/1077357696.db2.gz NNXRDTYAPIILER-INIZCTEOSA-N 1 2 407.580 2.812 20 10 HFCDLO O=C([C@@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1cccc(F)c1)N1CCOCC1 ZINC000789775545 1077808538 /nfs/dbraw/zinc/80/85/38/1077808538.db2.gz VXCYMLPARUIUOC-QGZVFWFLSA-N 1 2 406.885 2.992 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)cc2F)C[C@@H](C)O1 ZINC000789959080 1077870023 /nfs/dbraw/zinc/87/00/23/1077870023.db2.gz NXTICLDNMVRCBX-YVHKJVDXSA-N 1 2 419.541 2.699 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3COCC[N@H+]3C3CCCC3)cc2F)C[C@@H](C)O1 ZINC000789959080 1077870027 /nfs/dbraw/zinc/87/00/27/1077870027.db2.gz NXTICLDNMVRCBX-YVHKJVDXSA-N 1 2 419.541 2.699 20 10 HFCDLO CCCN1C(=O)CC[C@@H](C(=O)NCCCSc2nccs2)[C@@H]1c1c[nH+]cn1C ZINC000793495128 1078201533 /nfs/dbraw/zinc/20/15/33/1078201533.db2.gz FGOCAEKLMHHFEY-RHSMWYFYSA-N 1 2 421.592 2.865 20 10 HFCDLO CN(C)c1ccc([C@@H](CNC(=O)CCc2c[nH]c[nH+]2)NC(=O)OC(C)(C)C)cc1 ZINC000793573847 1078225626 /nfs/dbraw/zinc/22/56/26/1078225626.db2.gz QPUHNSLYVSHGSO-GOSISDBHSA-N 1 2 401.511 2.791 20 10 HFCDLO CN(C)c1ccc([C@@H](CNC(=O)CCc2c[nH+]c[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000793573847 1078225629 /nfs/dbraw/zinc/22/56/29/1078225629.db2.gz QPUHNSLYVSHGSO-GOSISDBHSA-N 1 2 401.511 2.791 20 10 HFCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000793720862 1078265616 /nfs/dbraw/zinc/26/56/16/1078265616.db2.gz VBOBTEPIRHILSC-UHFFFAOYSA-N 1 2 405.502 2.603 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1F ZINC000804851482 1078720784 /nfs/dbraw/zinc/72/07/84/1078720784.db2.gz DAZNXXNRQYDIIX-HXUWFJFHSA-N 1 2 412.509 2.591 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1F ZINC000804851482 1078720793 /nfs/dbraw/zinc/72/07/93/1078720793.db2.gz DAZNXXNRQYDIIX-HXUWFJFHSA-N 1 2 412.509 2.591 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)cc2)CC1 ZINC000805024994 1078836408 /nfs/dbraw/zinc/83/64/08/1078836408.db2.gz MNDMWHONENQHHN-HSZRJFAPSA-N 1 2 420.557 2.842 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)cc2)CC1 ZINC000805024994 1078836421 /nfs/dbraw/zinc/83/64/21/1078836421.db2.gz MNDMWHONENQHHN-HSZRJFAPSA-N 1 2 420.557 2.842 20 10 HFCDLO Cn1cnc(/C=C/C(=O)N(CCCn2cc[nH+]c2)c2ccc(Br)cn2)c1 ZINC001130211078 1079088593 /nfs/dbraw/zinc/08/85/93/1079088593.db2.gz UOSXYNFNURJLCK-GQCTYLIASA-N 1 2 415.295 2.911 20 10 HFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000787328974 1076771211 /nfs/dbraw/zinc/77/12/11/1076771211.db2.gz AHKFARWYGIEMSI-TXBYWVTISA-N 1 2 423.513 2.634 20 10 HFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000787328974 1076771223 /nfs/dbraw/zinc/77/12/23/1076771223.db2.gz AHKFARWYGIEMSI-TXBYWVTISA-N 1 2 423.513 2.634 20 10 HFCDLO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1F ZINC000746979101 1077314985 /nfs/dbraw/zinc/31/49/85/1077314985.db2.gz CSNWDHWHULXXDY-LJQANCHMSA-N 1 2 400.498 2.592 20 10 HFCDLO CN(C)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1F ZINC000746979101 1077314990 /nfs/dbraw/zinc/31/49/90/1077314990.db2.gz CSNWDHWHULXXDY-LJQANCHMSA-N 1 2 400.498 2.592 20 10 HFCDLO CN(C)c1ccc(CN2CC[NH+](CC(=O)N3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000792778361 1077999184 /nfs/dbraw/zinc/99/91/84/1077999184.db2.gz OHWIFMWTQFNSAU-UHFFFAOYSA-N 1 2 412.500 2.902 20 10 HFCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000793904153 1078333756 /nfs/dbraw/zinc/33/37/56/1078333756.db2.gz MKVWPIXHHLQOTE-UHFFFAOYSA-N 1 2 423.492 2.742 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000804853507 1078723822 /nfs/dbraw/zinc/72/38/22/1078723822.db2.gz ZIAHNOLDCOBWID-UZLBHIALSA-N 1 2 415.513 2.594 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000805026761 1078838474 /nfs/dbraw/zinc/83/84/74/1078838474.db2.gz ZXCPAYRIXRSWQZ-SIKLNZKXSA-N 1 2 423.561 2.845 20 10 HFCDLO Cc1cccn2cc(CCNC(=O)NCc3ccc(N4CCC(CO)CC4)cc3)[nH+]c12 ZINC000746759805 1077276912 /nfs/dbraw/zinc/27/69/12/1077276912.db2.gz VLYUGBFZLPPRGC-UHFFFAOYSA-N 1 2 421.545 2.893 20 10 HFCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788770492 1077283632 /nfs/dbraw/zinc/28/36/32/1077283632.db2.gz UYZYMAIUJUHFIS-OAQYLSRUSA-N 1 2 407.514 2.530 20 10 HFCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000788770492 1077283639 /nfs/dbraw/zinc/28/36/39/1077283639.db2.gz UYZYMAIUJUHFIS-OAQYLSRUSA-N 1 2 407.514 2.530 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000788954895 1077362007 /nfs/dbraw/zinc/36/20/07/1077362007.db2.gz OCXYMBBCYDRADZ-UHFFFAOYSA-N 1 2 412.534 2.828 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3CCO[C@@H](C(C)(C)C)C3)cc2F)C[C@@H](C)O1 ZINC000790431922 1078028875 /nfs/dbraw/zinc/02/88/75/1078028875.db2.gz ULNWTBKUZIHZPX-CBGDNZLLSA-N 1 2 421.557 2.802 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3CCO[C@@H](C(C)(C)C)C3)cc2F)C[C@@H](C)O1 ZINC000790431922 1078028882 /nfs/dbraw/zinc/02/88/82/1078028882.db2.gz ULNWTBKUZIHZPX-CBGDNZLLSA-N 1 2 421.557 2.802 20 10 HFCDLO CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CCCn3ccnc3C)cc2F)CC1 ZINC000747404096 1080771314 /nfs/dbraw/zinc/77/13/14/1080771314.db2.gz ZZSOADHDOGFQGN-UHFFFAOYSA-N 1 2 416.545 2.704 20 10 HFCDLO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000793717846 1078263954 /nfs/dbraw/zinc/26/39/54/1078263954.db2.gz KSAVTIXAHCPEOT-UHFFFAOYSA-N 1 2 419.529 2.993 20 10 HFCDLO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000793863216 1078326825 /nfs/dbraw/zinc/32/68/25/1078326825.db2.gz DOYLYBACMGWCNE-UHFFFAOYSA-N 1 2 408.546 2.622 20 10 HFCDLO C[NH+]1CCN(c2ccc(CNC(=O)NCc3cc(Cl)cc(Cl)c3O)cn2)CC1 ZINC000804900592 1078755408 /nfs/dbraw/zinc/75/54/08/1078755408.db2.gz YKOIQWPGSYPERS-UHFFFAOYSA-N 1 2 424.332 2.845 20 10 HFCDLO CC[C@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Cl)c1O ZINC000806136786 1079435623 /nfs/dbraw/zinc/43/56/23/1079435623.db2.gz GTLNSZYTAGHEEF-KRWDZBQOSA-N 1 2 403.914 2.615 20 10 HFCDLO CC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1cccc(Cl)c1O ZINC000806148514 1079467490 /nfs/dbraw/zinc/46/74/90/1079467490.db2.gz VAFPHZXIANGESY-QGZVFWFLSA-N 1 2 412.943 2.673 20 10 HFCDLO CN(C)c1ccc(CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)cc1F ZINC000746763077 1077290616 /nfs/dbraw/zinc/29/06/16/1077290616.db2.gz WNUZQPUMABOQHP-UHFFFAOYSA-N 1 2 413.497 2.601 20 10 HFCDLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792166526 1077732713 /nfs/dbraw/zinc/73/27/13/1077732713.db2.gz SKQNXQNDNPUKDV-UHFFFAOYSA-N 1 2 418.840 2.973 20 10 HFCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000789752106 1077783328 /nfs/dbraw/zinc/78/33/28/1077783328.db2.gz HCRKYQJIDVHWQV-CVEARBPZSA-N 1 2 417.941 2.594 20 10 HFCDLO O=C([C@H](C[NH2+]Cc1cccc(Cl)c1O)Cc1cccc(F)c1)N1CCOCC1 ZINC000789775543 1077808620 /nfs/dbraw/zinc/80/86/20/1077808620.db2.gz VXCYMLPARUIUOC-KRWDZBQOSA-N 1 2 406.885 2.992 20 10 HFCDLO CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000806537895 1079775046 /nfs/dbraw/zinc/77/50/46/1079775046.db2.gz XKZTVFOTWHALFE-UHFFFAOYSA-N 1 2 421.545 2.806 20 10 HFCDLO CN(C)c1ccc([C@@H](CNC(=O)CCc2[nH]cc[nH+]2)NC(=O)OC(C)(C)C)cc1 ZINC000806944846 1080153282 /nfs/dbraw/zinc/15/32/82/1080153282.db2.gz LKUTVHOAPBEKOF-QGZVFWFLSA-N 1 2 401.511 2.791 20 10 HFCDLO CN(C)c1ccc([C@H](CNC(=O)CCc2c[nH+]cn2C)NC(=O)OC(C)(C)C)cc1 ZINC000793569803 1078212451 /nfs/dbraw/zinc/21/24/51/1078212451.db2.gz DBTZKJHIRGKIBZ-IBGZPJMESA-N 1 2 415.538 2.801 20 10 HFCDLO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc(Br)c2O)[C@@H](C)C1 ZINC000793591909 1078217722 /nfs/dbraw/zinc/21/77/22/1078217722.db2.gz SZLYYVPLKFQHJY-WDEREUQCSA-N 1 2 422.161 2.804 20 10 HFCDLO C[C@@H](O)C[N@H+]1CCN(Cc2cc(Br)cc(Br)c2O)[C@@H](C)C1 ZINC000793591909 1078217724 /nfs/dbraw/zinc/21/77/24/1078217724.db2.gz SZLYYVPLKFQHJY-WDEREUQCSA-N 1 2 422.161 2.804 20 10 HFCDLO Cc1cc(C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000787328973 1076771263 /nfs/dbraw/zinc/77/12/63/1076771263.db2.gz AHKFARWYGIEMSI-PRCFCKQXSA-N 1 2 423.513 2.634 20 10 HFCDLO Cc1cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000787328973 1076771274 /nfs/dbraw/zinc/77/12/74/1076771274.db2.gz AHKFARWYGIEMSI-PRCFCKQXSA-N 1 2 423.513 2.634 20 10 HFCDLO O=S(=O)(c1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)s1)N1CCOCC1 ZINC000790950686 1077252187 /nfs/dbraw/zinc/25/21/87/1077252187.db2.gz RRKUOGHUEZXESK-UHFFFAOYSA-N 1 2 420.915 2.557 20 10 HFCDLO COC(=O)c1cc(-c2csc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)n2)c[nH]1 ZINC000789726518 1077761117 /nfs/dbraw/zinc/76/11/17/1077761117.db2.gz IRAHAXUASVUFTQ-UHFFFAOYSA-N 1 2 420.516 2.787 20 10 HFCDLO CC(C)[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)[NH+]1CCN(C)CC1 ZINC000806361661 1079648957 /nfs/dbraw/zinc/64/89/57/1079648957.db2.gz PDLMZHLUSRABLL-INIZCTEOSA-N 1 2 403.354 2.770 20 10 HFCDLO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc(Br)c2O)[C@H](C)C1 ZINC000793591905 1078217611 /nfs/dbraw/zinc/21/76/11/1078217611.db2.gz SZLYYVPLKFQHJY-GHMZBOCLSA-N 1 2 422.161 2.804 20 10 HFCDLO C[C@@H](O)C[N@H+]1CCN(Cc2cc(Br)cc(Br)c2O)[C@H](C)C1 ZINC000793591905 1078217615 /nfs/dbraw/zinc/21/76/15/1078217615.db2.gz SZLYYVPLKFQHJY-GHMZBOCLSA-N 1 2 422.161 2.804 20 10 HFCDLO O=C(c1cc2ccccc2s1)N1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000788381574 1077136822 /nfs/dbraw/zinc/13/68/22/1077136822.db2.gz JFBBIDFRIFZFQC-SFHVURJKSA-N 1 2 410.495 2.991 20 10 HFCDLO CC1CCN(c2ccc(CNC(=O)C(=O)NCCCNc3cccc[nH+]3)cc2)CC1 ZINC000788641844 1077244141 /nfs/dbraw/zinc/24/41/41/1077244141.db2.gz YFMSDZBCRITKMS-UHFFFAOYSA-N 1 2 409.534 2.553 20 10 HFCDLO O=C1C[C@@]2(CC[N@@H+](Cc3cc(Br)cc(Br)c3O)C2)CN1 ZINC000789768372 1077769340 /nfs/dbraw/zinc/76/93/40/1077769340.db2.gz MMFHFHIAMXBSDT-AWEZNQCLSA-N 1 2 404.102 2.629 20 10 HFCDLO O=C1C[C@@]2(CC[N@H+](Cc3cc(Br)cc(Br)c3O)C2)CN1 ZINC000789768372 1077769343 /nfs/dbraw/zinc/76/93/43/1077769343.db2.gz MMFHFHIAMXBSDT-AWEZNQCLSA-N 1 2 404.102 2.629 20 10 HFCDLO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Br)cc(Br)c2O)[C@H](C)C1 ZINC000793591907 1078217677 /nfs/dbraw/zinc/21/76/77/1078217677.db2.gz SZLYYVPLKFQHJY-MNOVXSKESA-N 1 2 422.161 2.804 20 10 HFCDLO C[C@H](O)C[N@H+]1CCN(Cc2cc(Br)cc(Br)c2O)[C@H](C)C1 ZINC000793591907 1078217680 /nfs/dbraw/zinc/21/76/80/1078217680.db2.gz SZLYYVPLKFQHJY-MNOVXSKESA-N 1 2 422.161 2.804 20 10 HFCDLO CC(C)[C@@H](C(=O)O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)[NH+](C)C ZINC000787964070 1077010882 /nfs/dbraw/zinc/01/08/82/1077010882.db2.gz VZCRCINRXMTKMT-VLIAUNLRSA-N 1 2 422.481 2.918 20 10 HFCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000788646449 1077224447 /nfs/dbraw/zinc/22/44/47/1077224447.db2.gz CPGUOHNMTHEZJT-UHFFFAOYSA-N 1 2 410.518 2.701 20 10 HFCDLO COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1C ZINC000788930706 1077340069 /nfs/dbraw/zinc/34/00/69/1077340069.db2.gz VAVOCRJZLXOINP-UHFFFAOYSA-N 1 2 410.518 2.582 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@@H+]3C[C@H](C)O[C@@H](C4CC4)C3)cc2F)C[C@H](C)O1 ZINC000791554030 1077475994 /nfs/dbraw/zinc/47/59/94/1077475994.db2.gz QFPLLJSFWFRFNZ-NRVIRDBHSA-N 1 2 419.541 2.555 20 10 HFCDLO C[C@@H]1CN(c2ccc(CNC(=O)C[N@H+]3C[C@H](C)O[C@@H](C4CC4)C3)cc2F)C[C@H](C)O1 ZINC000791554030 1077475999 /nfs/dbraw/zinc/47/59/99/1077475999.db2.gz QFPLLJSFWFRFNZ-NRVIRDBHSA-N 1 2 419.541 2.555 20 10 HFCDLO COc1cc(N2CC[NH+]([C@H]3CCc4ccccc4NC3=O)CC2)cc(OC)c1OC ZINC000792288477 1077776702 /nfs/dbraw/zinc/77/67/02/1077776702.db2.gz XVKWVZWPUKLWNP-IBGZPJMESA-N 1 2 411.502 2.788 20 10 HFCDLO CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000806537153 1079809288 /nfs/dbraw/zinc/80/92/88/1079809288.db2.gz PFPHIRVNUGAOPA-UHFFFAOYSA-N 1 2 408.502 2.836 20 10 HFCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000807511686 1080719090 /nfs/dbraw/zinc/71/90/90/1080719090.db2.gz BKRNSRBRVJIZLT-UHFFFAOYSA-N 1 2 406.229 2.535 20 10 HFCDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000793163316 1078085731 /nfs/dbraw/zinc/08/57/31/1078085731.db2.gz NETJLJLKTRABTB-UHFFFAOYSA-N 1 2 400.429 2.776 20 10 HFCDLO CCN1CC[NH+](C[C@@H](C)CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000805181256 1078965646 /nfs/dbraw/zinc/96/56/46/1078965646.db2.gz SXYBUNGSPPSABW-ZDUSSCGKSA-N 1 2 403.354 2.772 20 10 HFCDLO CC[C@@H]([NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(Cl)c1O ZINC000806136787 1079435676 /nfs/dbraw/zinc/43/56/76/1079435676.db2.gz GTLNSZYTAGHEEF-QGZVFWFLSA-N 1 2 403.914 2.615 20 10 HFCDLO CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000788964495 1077365020 /nfs/dbraw/zinc/36/50/20/1077365020.db2.gz NTSSHDNISNPSEK-UHFFFAOYSA-N 1 2 405.502 2.651 20 10 HFCDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000789752107 1077783278 /nfs/dbraw/zinc/78/32/78/1077783278.db2.gz HCRKYQJIDVHWQV-HOTGVXAUSA-N 1 2 417.941 2.594 20 10 HFCDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000807281606 1080441764 /nfs/dbraw/zinc/44/17/64/1080441764.db2.gz XYKIZDQBQQBBPU-SFHVURJKSA-N 1 2 400.866 2.916 20 10 HFCDLO Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000807511826 1080719185 /nfs/dbraw/zinc/71/91/85/1080719185.db2.gz XBSNCNPUYFUOHB-UHFFFAOYSA-N 1 2 420.256 2.843 20 10 HFCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000807512757 1080722101 /nfs/dbraw/zinc/72/21/01/1080722101.db2.gz HXNIYKIITDGBDD-UHFFFAOYSA-N 1 2 406.229 2.535 20 10 HFCDLO O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCn2c[nH+]cc2C1 ZINC000793530382 1078212383 /nfs/dbraw/zinc/21/23/83/1078212383.db2.gz NNAHOEJMVPFWMM-OQLLNIDSSA-N 1 2 418.569 2.968 20 10 HFCDLO C[N@@H+]1CCN(Cc2cccc(Br)c2O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605116 1078222510 /nfs/dbraw/zinc/22/25/10/1078222510.db2.gz VHYUNPCAJSBFSN-AWEZNQCLSA-N 1 2 414.344 2.795 20 10 HFCDLO C[N@H+]1CCN(Cc2cccc(Br)c2O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605116 1078222513 /nfs/dbraw/zinc/22/25/13/1078222513.db2.gz VHYUNPCAJSBFSN-AWEZNQCLSA-N 1 2 414.344 2.795 20 10 HFCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3cnc4c(F)cccc4c3)CC2)cc1 ZINC000794254764 1078392684 /nfs/dbraw/zinc/39/26/84/1078392684.db2.gz LLNFRRXVASVOOS-UHFFFAOYSA-N 1 2 408.477 2.935 20 10 HFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)c2C)cc1 ZINC000787331278 1076743987 /nfs/dbraw/zinc/74/39/87/1076743987.db2.gz KTZWHBVSSYJXTM-JLMWRMLUSA-N 1 2 423.513 2.649 20 10 HFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)c2C)cc1 ZINC000787331278 1076743991 /nfs/dbraw/zinc/74/39/91/1076743991.db2.gz KTZWHBVSSYJXTM-JLMWRMLUSA-N 1 2 423.513 2.649 20 10 HFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)c2C)cc1 ZINC000787331283 1076744360 /nfs/dbraw/zinc/74/43/60/1076744360.db2.gz KTZWHBVSSYJXTM-LQBOVUBWSA-N 1 2 423.513 2.649 20 10 HFCDLO COC(=O)c1ccc(-n2c(C)cc(C(=O)C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)c2C)cc1 ZINC000787331283 1076744368 /nfs/dbraw/zinc/74/43/68/1076744368.db2.gz KTZWHBVSSYJXTM-LQBOVUBWSA-N 1 2 423.513 2.649 20 10 HFCDLO COc1ccc(N2CC[NH+](CCCNC(=O)c3ccc(O)c(Cl)c3)CC2)cc1 ZINC000787898768 1077004155 /nfs/dbraw/zinc/00/41/55/1077004155.db2.gz LXOPGACTCRTPBN-UHFFFAOYSA-N 1 2 403.910 2.996 20 10 HFCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788910853 1077350302 /nfs/dbraw/zinc/35/03/02/1077350302.db2.gz DRHWNYYFWVIZSD-UHFFFAOYSA-N 1 2 411.550 2.601 20 10 HFCDLO CN(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000789736543 1077772302 /nfs/dbraw/zinc/77/23/02/1077772302.db2.gz BLMQOOPFCFRMHP-UHFFFAOYSA-N 1 2 413.547 2.860 20 10 HFCDLO CN(C)c1ccc(C[NH+]2CCN(c3ncccc3C(N)=O)CC2)c(C(F)(F)F)c1 ZINC000792788609 1077991953 /nfs/dbraw/zinc/99/19/53/1077991953.db2.gz CDGCXBIYSOKRDZ-UHFFFAOYSA-N 1 2 407.440 2.588 20 10 HFCDLO