smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(C[N@H+](C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)c1O ZINC000055109239 849971767 /nfs/dbraw/zinc/97/17/67/849971767.db2.gz KUZICGMPDPCKQW-HXUWFJFHSA-N 1 1 400.538 4.317 50 10 HICAMO CCOc1cccc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccc(F)cc3)C2)c1O ZINC000055109239 849971770 /nfs/dbraw/zinc/97/17/70/849971770.db2.gz KUZICGMPDPCKQW-HXUWFJFHSA-N 1 1 400.538 4.317 50 10 HICAMO OCC[NH+]1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000000601293 557019164 /nfs/dbraw/zinc/01/91/64/557019164.db2.gz WFPIAZLQTJBIFN-DVZOWYKESA-N 1 1 400.975 4.236 50 10 world HICAMO Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000033431527 568514625 /nfs/dbraw/zinc/51/46/25/568514625.db2.gz RCHXNCJKGLEYDJ-UYRXBGFRSA-N 1 1 402.479 4.161 50 10 HICAMO O=c1cc(C[N@H+](Cc2ccccc2)C[C@H](O)c2cccs2)c2cc(O)c(O)cc2o1 ZINC000095466763 568624417 /nfs/dbraw/zinc/62/44/17/568624417.db2.gz JARCLXHEVKXKEJ-FQEVSTJZSA-N 1 1 423.490 4.002 50 10 HICAMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012558385 568856704 /nfs/dbraw/zinc/85/67/04/568856704.db2.gz ZPQJOSUOZWXDTG-RUZDIDTESA-N 1 1 419.594 4.420 50 10 HICAMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)cc1 ZINC000012558385 568856707 /nfs/dbraw/zinc/85/67/07/568856707.db2.gz ZPQJOSUOZWXDTG-RUZDIDTESA-N 1 1 419.594 4.420 50 10 HICAMO CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)c1O ZINC000012431553 845870549 /nfs/dbraw/zinc/87/05/49/845870549.db2.gz YSRIMMJKDIPPNO-LJQANCHMSA-N 1 1 420.513 4.032 50 10 HICAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(OC)cc2O)C3)cc1 ZINC000055182616 849984164 /nfs/dbraw/zinc/98/41/64/849984164.db2.gz ATQNAFOIDVQMMB-UHFFFAOYSA-N 1 1 421.493 4.480 50 10 HICAMO Oc1ccc(Br)cc1C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004980669 558781240 /nfs/dbraw/zinc/78/12/40/558781240.db2.gz MWZAEYNARAMNKQ-UHFFFAOYSA-N 1 1 415.253 4.496 50 10 HICAMO COc1cc(Br)cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1O ZINC000055292190 558878708 /nfs/dbraw/zinc/87/87/08/558878708.db2.gz OFEVEIUHJHAXKB-UHFFFAOYSA-N 1 1 405.336 4.102 50 10 HICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)C(C)(C)C)CC2)cc1 ZINC000023181548 559031475 /nfs/dbraw/zinc/03/14/75/559031475.db2.gz HBALENVETKAKHR-DYESRHJHSA-N 1 1 415.603 4.171 50 10 HICAMO CC[NH+]1CCN(c2cc(NCC(C)C)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737907 132314133 /nfs/dbraw/zinc/31/41/33/132314133.db2.gz VGIUPRIALZGTAL-UHFFFAOYSA-N 1 1 404.514 4.249 50 10 HICAMO CCOc1cccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1O ZINC000012570716 558428775 /nfs/dbraw/zinc/42/87/75/558428775.db2.gz WKVJYMQPCQUPTN-SFHVURJKSA-N 1 1 414.521 4.239 50 10 HICAMO OCC[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCN1CCCc1ccccc1 ZINC000022926280 558523266 /nfs/dbraw/zinc/52/32/66/558523266.db2.gz GXKYNLBUVYGSGA-QHCPKHFHSA-N 1 1 404.554 4.047 50 10 HICAMO OCC[C@H]1CN(Cc2c(O)ccc3ccccc32)CC[N@@H+]1CCCc1ccccc1 ZINC000022926280 558523267 /nfs/dbraw/zinc/52/32/67/558523267.db2.gz GXKYNLBUVYGSGA-QHCPKHFHSA-N 1 1 404.554 4.047 50 10 HICAMO OCC[C@H]1CN(Cc2c(O)ccc3ccccc32)CC[N@H+]1CCCc1ccccc1 ZINC000022926280 558523268 /nfs/dbraw/zinc/52/32/68/558523268.db2.gz GXKYNLBUVYGSGA-QHCPKHFHSA-N 1 1 404.554 4.047 50 10 HICAMO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000011662150 558265952 /nfs/dbraw/zinc/26/59/52/558265952.db2.gz IVMZQFMGAPFRSX-HSZRJFAPSA-N 1 1 419.468 4.067 50 10 HICAMO COc1cc2c(cc1OC)CN([C@H]1CCC[N@@H+](Cc3cc(Cl)ccc3O)C1)CC2 ZINC000020515466 846385015 /nfs/dbraw/zinc/38/50/15/846385015.db2.gz SODDJWMBFIJEFX-FQEVSTJZSA-N 1 1 416.949 4.086 50 10 HICAMO CN(C)c1ccc([C@@H]2C=C(c3ccc(Cl)cc3OC(F)F)[NH+]=C3N=CNN32)cc1 ZINC000100426522 559200099 /nfs/dbraw/zinc/20/00/99/559200099.db2.gz XYLYMKRFLDNOMG-KRWDZBQOSA-N 1 1 417.847 4.308 50 10 HICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349257 569033424 /nfs/dbraw/zinc/03/34/24/569033424.db2.gz NPOVIXRADCMFTO-RUZDIDTESA-N 1 1 417.528 4.421 50 10 HICAMO COc1ccc(N2CC[NH+](Cc3cc(=O)oc4ccc(C(C)(C)C)cc34)CC2)cc1 ZINC000054105898 569057531 /nfs/dbraw/zinc/05/75/31/569057531.db2.gz KFVIABVGHKTFCS-UHFFFAOYSA-N 1 1 406.526 4.421 50 10 HICAMO COc1ccc(CC(=O)c2ccc([O-])c(C[N@@H+]3C[C@H](C)C[C@H](C)C3)c2O)cc1OC ZINC000013879245 569061579 /nfs/dbraw/zinc/06/15/79/569061579.db2.gz VKKBENYDLULSKQ-IYBDPMFKSA-N 1 1 413.514 4.018 50 10 HICAMO Cc1c([O-])c(C[N@@H+](C)C[C@@H]2CCC[NH+]3CCCC[C@H]23)cc2c3c(c(=O)oc12)CCCC3 ZINC000524731004 569212057 /nfs/dbraw/zinc/21/20/57/569212057.db2.gz GIUNMUSJRWBYGC-FDDCHVKYSA-N 1 1 424.585 4.382 50 10 HICAMO Cc1c([O-])c(C[NH+](C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2c3c(c(=O)oc12)CCCC3 ZINC000524731004 569212059 /nfs/dbraw/zinc/21/20/59/569212059.db2.gz GIUNMUSJRWBYGC-FDDCHVKYSA-N 1 1 424.585 4.382 50 10 HICAMO Cc1c([O-])c(C[NH+](C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2c3c(c(=O)oc12)CCCC3 ZINC000524731004 569212060 /nfs/dbraw/zinc/21/20/60/569212060.db2.gz GIUNMUSJRWBYGC-FDDCHVKYSA-N 1 1 424.585 4.382 50 10 HICAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)c1 ZINC000020363472 846384028 /nfs/dbraw/zinc/38/40/28/846384028.db2.gz JKLKLMHAPDGAQN-SFHVURJKSA-N 1 1 424.570 4.201 50 10 HICAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](C/C(C)=C/c4ccccc4)C3)CC2)cc1 ZINC000020534940 524435428 /nfs/dbraw/zinc/43/54/28/524435428.db2.gz IAHZTKBLAFXQHL-MATVXJHQSA-N 1 1 405.586 4.385 50 10 HICAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(C/C(C)=C/c4ccccc4)C3)CC2)cc1 ZINC000020534940 524435442 /nfs/dbraw/zinc/43/54/42/524435442.db2.gz IAHZTKBLAFXQHL-MATVXJHQSA-N 1 1 405.586 4.385 50 10 HICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)CC(C)C)CC2)cc1 ZINC000097546848 557823943 /nfs/dbraw/zinc/82/39/43/557823943.db2.gz IBIGRZXDNZGNKD-JPYJTQIMSA-N 1 1 415.603 4.171 50 10 HICAMO CCOc1cccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1O ZINC000012570722 558428786 /nfs/dbraw/zinc/42/87/86/558428786.db2.gz WKVJYMQPCQUPTN-GOSISDBHSA-N 1 1 414.521 4.239 50 10 HICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)C(C)(C)C)CC2)cc1 ZINC000023181545 559031443 /nfs/dbraw/zinc/03/14/43/559031443.db2.gz HBALENVETKAKHR-UTKZUKDTSA-N 1 1 415.603 4.171 50 10 HICAMO Cc1cnc(C)c(-c2ccc(O)c(C[N@H+](C)Cc3nnc(-c4ccccc4)o3)c2)n1 ZINC000014989976 568718337 /nfs/dbraw/zinc/71/83/37/568718337.db2.gz RZOTZDSNFNCZIO-UHFFFAOYSA-N 1 1 401.470 4.148 50 10 HICAMO Cc1cnc(C)c(-c2ccc(O)c(C[N@@H+](C)Cc3nnc(-c4ccccc4)o3)c2)n1 ZINC000014989976 568718338 /nfs/dbraw/zinc/71/83/38/568718338.db2.gz RZOTZDSNFNCZIO-UHFFFAOYSA-N 1 1 401.470 4.148 50 10 HICAMO CC[NH+]1CCN(c2cc(N3CCCCC3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737891 132314174 /nfs/dbraw/zinc/31/41/74/132314174.db2.gz FLORHBBUACCFEM-UHFFFAOYSA-N 1 1 416.525 4.171 50 10 HICAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](C/C=C/c4ccc(F)cc4)C3)CC2)cc1 ZINC000020992924 558426199 /nfs/dbraw/zinc/42/61/99/558426199.db2.gz QPKXPUSVYSEANP-UQPVFDRXSA-N 1 1 409.549 4.134 50 10 HICAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](C/C=C/c4ccc(F)cc4)C3)CC2)cc1 ZINC000020992924 558426201 /nfs/dbraw/zinc/42/62/01/558426201.db2.gz QPKXPUSVYSEANP-UQPVFDRXSA-N 1 1 409.549 4.134 50 10 HICAMO COc1cc(Br)cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c1O ZINC000023281374 558778999 /nfs/dbraw/zinc/77/89/99/558778999.db2.gz YUIFYNWXDDZTJZ-UHFFFAOYSA-N 1 1 411.727 4.139 50 10 HICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc(SC)cc4)C3)CC2)cc1 ZINC000019595664 558946114 /nfs/dbraw/zinc/94/61/14/558946114.db2.gz BBMDHIXPEOUTHM-JOCHJYFZSA-N 1 1 411.615 4.204 50 10 HICAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc(SC)cc4)C3)CC2)cc1 ZINC000019595664 558946116 /nfs/dbraw/zinc/94/61/16/558946116.db2.gz BBMDHIXPEOUTHM-JOCHJYFZSA-N 1 1 411.615 4.204 50 10 HICAMO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349255 569033401 /nfs/dbraw/zinc/03/34/01/569033401.db2.gz DLRAVCGCUPTEEQ-RUZDIDTESA-N 1 1 417.528 4.421 50 10 HICAMO CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022665106 132475348 /nfs/dbraw/zinc/47/53/48/132475348.db2.gz DSZORGOOEGFPFJ-DEOSSOPVSA-N 1 1 422.617 4.168 50 10 HICAMO Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)OCc3ccccc3)C[N@@H+](C)[C@@H]1C2 ZINC000003812975 557498780 /nfs/dbraw/zinc/49/87/80/557498780.db2.gz WZHJKEUHNJHDLS-QTGUNEKASA-N 1 1 403.526 4.065 50 10 in-man HICAMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000006082926 568996533 /nfs/dbraw/zinc/99/65/33/568996533.db2.gz CTVPWOGGAJWDEK-FQEVSTJZSA-N 1 1 401.890 4.219 50 10 HICAMO C[C@H]1CCC[N@@H+](CCNc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)C1 ZINC000006737862 569106348 /nfs/dbraw/zinc/10/63/48/569106348.db2.gz LDMWCYXXLLLJOU-HNNXBMFYSA-N 1 1 404.514 4.249 50 10 HICAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](C4C5CC6CC(C5)CC4C6)C3)CC2)cc1 ZINC000019789650 569429759 /nfs/dbraw/zinc/42/97/59/569429759.db2.gz RWWGYYVFDTXYDF-LNTPEENLSA-N 1 1 409.618 4.106 50 10 HICAMO OCC[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCN1CCCc1ccccc1 ZINC000022926274 558523234 /nfs/dbraw/zinc/52/32/34/558523234.db2.gz GXKYNLBUVYGSGA-HSZRJFAPSA-N 1 1 404.554 4.047 50 10 HICAMO OCC[C@@H]1CN(Cc2c(O)ccc3ccccc32)CC[N@@H+]1CCCc1ccccc1 ZINC000022926274 558523236 /nfs/dbraw/zinc/52/32/36/558523236.db2.gz GXKYNLBUVYGSGA-HSZRJFAPSA-N 1 1 404.554 4.047 50 10 HICAMO OCC[C@@H]1CN(Cc2c(O)ccc3ccccc32)CC[N@H+]1CCCc1ccccc1 ZINC000022926274 558523237 /nfs/dbraw/zinc/52/32/37/558523237.db2.gz GXKYNLBUVYGSGA-HSZRJFAPSA-N 1 1 404.554 4.047 50 10 HICAMO CN(C)c1ccc([C@H](CNC(=O)c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000035349262 569033405 /nfs/dbraw/zinc/03/34/05/569033405.db2.gz XDNWYGQOOHIFDR-QFIPXVFZSA-N 1 1 405.567 4.344 50 10 HICAMO CN(C)c1ccc([C@H](CNC(=O)c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349262 569033406 /nfs/dbraw/zinc/03/34/06/569033406.db2.gz XDNWYGQOOHIFDR-QFIPXVFZSA-N 1 1 405.567 4.344 50 10 HICAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 ZINC000006654899 569082871 /nfs/dbraw/zinc/08/28/71/569082871.db2.gz IGGGUAJDSOCMRB-HNNXBMFYSA-N 1 1 408.321 4.023 50 10 HICAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000007141725 569226239 /nfs/dbraw/zinc/22/62/39/569226239.db2.gz QQRFBWMKJHUEBE-RUZDIDTESA-N 1 1 419.477 4.286 50 10 HICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cccc(SC)c4)C3)CC2)cc1 ZINC000019229436 558853411 /nfs/dbraw/zinc/85/34/11/558853411.db2.gz VIISTGQPLNJIDS-JOCHJYFZSA-N 1 1 411.615 4.204 50 10 HICAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cccc(SC)c4)C3)CC2)cc1 ZINC000019229436 558853413 /nfs/dbraw/zinc/85/34/13/558853413.db2.gz VIISTGQPLNJIDS-JOCHJYFZSA-N 1 1 411.615 4.204 50 10 HICAMO C[C@@H]1CCCN(c2cc(N3CC[NH+](C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)C1 ZINC000006738008 132314364 /nfs/dbraw/zinc/31/43/64/132314364.db2.gz OGLSAZIPMPTGIT-MRXNPFEDSA-N 1 1 416.525 4.027 50 10 HICAMO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)n1-c1ccccc1C ZINC000029716015 524106839 /nfs/dbraw/zinc/10/68/39/524106839.db2.gz FLCHLQGLUCZGSG-UHFFFAOYSA-N 1 1 417.553 4.165 50 10 HICAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 ZINC000015946328 558763420 /nfs/dbraw/zinc/76/34/20/558763420.db2.gz KPFZHCRSYUKOSP-INIZCTEOSA-N 1 1 422.348 4.412 50 10 HICAMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012558384 568856616 /nfs/dbraw/zinc/85/66/16/568856616.db2.gz ZPQJOSUOZWXDTG-VWLOTQADSA-N 1 1 419.594 4.420 50 10 HICAMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)cc1 ZINC000012558384 568856617 /nfs/dbraw/zinc/85/66/17/568856617.db2.gz ZPQJOSUOZWXDTG-VWLOTQADSA-N 1 1 419.594 4.420 50 10 HICAMO CCCc1cc(=O)oc2c(C)c([O-])c(C[N@@H+](C)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12 ZINC000524730576 569051672 /nfs/dbraw/zinc/05/16/72/569051672.db2.gz NTJKIVSTSXVEIE-SIKLNZKXSA-N 1 1 412.574 4.456 50 10 HICAMO CCCc1cc(=O)oc2c(C)c([O-])c(C[NH+](C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc12 ZINC000524730576 569051673 /nfs/dbraw/zinc/05/16/73/569051673.db2.gz NTJKIVSTSXVEIE-SIKLNZKXSA-N 1 1 412.574 4.456 50 10 HICAMO CCCc1cc(=O)oc2c(C)c([O-])c(C[NH+](C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc12 ZINC000524730576 569051674 /nfs/dbraw/zinc/05/16/74/569051674.db2.gz NTJKIVSTSXVEIE-SIKLNZKXSA-N 1 1 412.574 4.456 50 10 HICAMO O=c1oc2c(ccc([O-])c2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc12 ZINC000006759710 569113279 /nfs/dbraw/zinc/11/32/79/569113279.db2.gz HHKCGQNUROAIGC-UHFFFAOYSA-N 1 1 414.505 4.406 50 10 HICAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)c1 ZINC000020363469 846383395 /nfs/dbraw/zinc/38/33/95/846383395.db2.gz JKLKLMHAPDGAQN-GOSISDBHSA-N 1 1 424.570 4.201 50 10 HICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)CC(C)C)CC2)cc1 ZINC000097546850 557824213 /nfs/dbraw/zinc/82/42/13/557824213.db2.gz IBIGRZXDNZGNKD-WZONZLPQSA-N 1 1 415.603 4.171 50 10 HICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](C/C(C)=C/c4ccccc4)C3)CC2)cc1 ZINC000020534938 558385666 /nfs/dbraw/zinc/38/56/66/558385666.db2.gz IAHZTKBLAFXQHL-OYDDMCODSA-N 1 1 405.586 4.385 50 10 HICAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(C/C(C)=C/c4ccccc4)C3)CC2)cc1 ZINC000020534938 558385669 /nfs/dbraw/zinc/38/56/69/558385669.db2.gz IAHZTKBLAFXQHL-OYDDMCODSA-N 1 1 405.586 4.385 50 10 HICAMO COc1cccc(C[N@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)c1O ZINC000020780825 558412719 /nfs/dbraw/zinc/41/27/19/558412719.db2.gz XRDUOVACHRGKHS-LJQANCHMSA-N 1 1 424.570 4.201 50 10 HICAMO Cc1cc2oc(=O)c3c(c2c([O-])c1C[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12)CCCC3 ZINC000524731847 569212406 /nfs/dbraw/zinc/21/24/06/569212406.db2.gz MLGRFMUBLHDUBI-PGRDOPGGSA-N 1 1 424.585 4.382 50 10 HICAMO Cc1cc2oc(=O)c3c(c2c([O-])c1C[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)CCCC3 ZINC000524731847 569212407 /nfs/dbraw/zinc/21/24/07/569212407.db2.gz MLGRFMUBLHDUBI-PGRDOPGGSA-N 1 1 424.585 4.382 50 10 HICAMO Cc1cc2oc(=O)c3c(c2c([O-])c1C[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12)CCCC3 ZINC000524731847 569212408 /nfs/dbraw/zinc/21/24/08/569212408.db2.gz MLGRFMUBLHDUBI-PGRDOPGGSA-N 1 1 424.585 4.382 50 10 HICAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000019795184 558284227 /nfs/dbraw/zinc/28/42/27/558284227.db2.gz QBVSDFMGMRUPGN-JURIHQFCSA-N 1 1 421.585 4.004 50 10 HICAMO COc1ccc(/C=C/CN2CCC[C@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000019795184 558284231 /nfs/dbraw/zinc/28/42/31/558284231.db2.gz QBVSDFMGMRUPGN-JURIHQFCSA-N 1 1 421.585 4.004 50 10 HICAMO CCOC(=O)c1oc2c(cccc2C)c1C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000015017905 558702741 /nfs/dbraw/zinc/70/27/41/558702741.db2.gz BOLBOSDOSLLLLX-UHFFFAOYSA-N 1 1 408.498 4.249 50 10 HICAMO CSc1ccc2c(c1)[C@@H]([NH+]1CCN(CCCO)CC1)Cc1ccc(F)cc1S2 ZINC000033824214 558771479 /nfs/dbraw/zinc/77/14/79/558771479.db2.gz LPFRDGDSDQFNIT-FQEVSTJZSA-N 1 1 418.603 4.296 50 10 HICAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccc(SC)c4)C3)CC2)cc1 ZINC000019229438 558853451 /nfs/dbraw/zinc/85/34/51/558853451.db2.gz VIISTGQPLNJIDS-QFIPXVFZSA-N 1 1 411.615 4.204 50 10 HICAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cccc(SC)c4)C3)CC2)cc1 ZINC000019229438 558853454 /nfs/dbraw/zinc/85/34/54/558853454.db2.gz VIISTGQPLNJIDS-QFIPXVFZSA-N 1 1 411.615 4.204 50 10 HICAMO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1 ZINC000058224972 558913443 /nfs/dbraw/zinc/91/34/43/558913443.db2.gz KORYLJHAQQDXSL-NRFANRHFSA-N 1 1 409.574 4.214 50 10 HICAMO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1 ZINC000058224972 558913446 /nfs/dbraw/zinc/91/34/46/558913446.db2.gz KORYLJHAQQDXSL-NRFANRHFSA-N 1 1 409.574 4.214 50 10 HICAMO C[N@H+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000409414831 559250760 /nfs/dbraw/zinc/25/07/60/559250760.db2.gz XSASIJSJOSWKIN-HTAPYJJXSA-N 1 1 410.558 4.074 50 10 HICAMO C[NH+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000409414831 559250762 /nfs/dbraw/zinc/25/07/62/559250762.db2.gz XSASIJSJOSWKIN-HTAPYJJXSA-N 1 1 410.558 4.074 50 10 HICAMO C[NH+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000409414831 559250765 /nfs/dbraw/zinc/25/07/65/559250765.db2.gz XSASIJSJOSWKIN-HTAPYJJXSA-N 1 1 410.558 4.074 50 10 HICAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccc5cccnc54)C3)CC2)cc1 ZINC000019224607 846359984 /nfs/dbraw/zinc/35/99/84/846359984.db2.gz AMNZMWZWZXZYHY-DEOSSOPVSA-N 1 1 416.569 4.030 50 10 HICAMO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@@H+](Cc3cc(Cl)ccc3O)C1)CC2 ZINC000020515462 846385546 /nfs/dbraw/zinc/38/55/46/846385546.db2.gz SODDJWMBFIJEFX-HXUWFJFHSA-N 1 1 416.949 4.086 50 10 HICAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(OC)cc2O)C3)c1 ZINC000064157909 851837542 /nfs/dbraw/zinc/83/75/42/851837542.db2.gz CYJBRLQTNSYXKU-UHFFFAOYSA-N 1 1 421.493 4.480 50 10 HICAMO CN(C)c1ccc(C[N@H+]2CCC[C@H](COc3ccccc3C(=O)N3CCCC3)C2)cc1 ZINC000169765235 853658330 /nfs/dbraw/zinc/65/83/30/853658330.db2.gz ZWMISRYUXIAVAI-QFIPXVFZSA-N 1 1 421.585 4.280 50 10 HICAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000011873554 558291503 /nfs/dbraw/zinc/29/15/03/558291503.db2.gz RMOBAGYFOMECMG-IBGZPJMESA-N 1 1 403.482 4.430 50 10 HICAMO C[C@H]([NH2+]CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000013062880 558510154 /nfs/dbraw/zinc/51/01/54/558510154.db2.gz BECXCGFZFFFTRS-AWEZNQCLSA-N 1 1 418.880 4.405 50 10 HICAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000013659350 558559582 /nfs/dbraw/zinc/55/95/82/558559582.db2.gz GXNZLBHSYDKCJY-KRWDZBQOSA-N 1 1 416.949 4.363 50 10 HICAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000013659354 558559596 /nfs/dbraw/zinc/55/95/96/558559596.db2.gz GXNZLBHSYDKCJY-QGZVFWFLSA-N 1 1 416.949 4.363 50 10 HICAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3O)cc2)n1 ZINC000019148124 558847027 /nfs/dbraw/zinc/84/70/27/558847027.db2.gz AUUWLCTZOLMQKO-JOCHJYFZSA-N 1 1 404.514 4.188 50 10 HICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)C(C)(C)C)CC2)cc1 ZINC000023181552 559031446 /nfs/dbraw/zinc/03/14/46/559031446.db2.gz HBALENVETKAKHR-UWJYYQICSA-N 1 1 415.603 4.171 50 10 HICAMO COc1cccc(C[N@@H+]2CC=C(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000064818014 569101238 /nfs/dbraw/zinc/10/12/38/569101238.db2.gz UMDNVTINVPYTAJ-UHFFFAOYSA-N 1 1 419.569 4.134 50 10 HICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cccc5cccnc54)C3)CC2)cc1 ZINC000019224604 846359690 /nfs/dbraw/zinc/35/96/90/846359690.db2.gz AMNZMWZWZXZYHY-XMMPIXPASA-N 1 1 416.569 4.030 50 10 HICAMO Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000033334426 132789005 /nfs/dbraw/zinc/78/90/05/132789005.db2.gz YBNHXTYCMKBXPC-MOSHPQCFSA-N 1 1 416.506 4.469 50 10 HICAMO COc1cccc(C[N@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)c1O ZINC000020780827 558412749 /nfs/dbraw/zinc/41/27/49/558412749.db2.gz XRDUOVACHRGKHS-IBGZPJMESA-N 1 1 424.570 4.201 50 10 HICAMO CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000095426758 568608045 /nfs/dbraw/zinc/60/80/45/568608045.db2.gz LARLOLGPYILEGF-HNNXBMFYSA-N 1 1 423.344 4.007 50 10 HICAMO CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000095426758 568608048 /nfs/dbraw/zinc/60/80/48/568608048.db2.gz LARLOLGPYILEGF-HNNXBMFYSA-N 1 1 423.344 4.007 50 10 HICAMO CCOC(=O)c1c(C[NH+](CC)CC)n(-c2ccccc2)c2ccc([O-])c(C[NH+](C)C)c21 ZINC000001422611 568938392 /nfs/dbraw/zinc/93/83/92/568938392.db2.gz VFFMWXAUNWCOQC-UHFFFAOYSA-N 1 1 423.557 4.416 50 10 HICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000038666780 571054759 /nfs/dbraw/zinc/05/47/59/571054759.db2.gz QSROKDUEIQFSHZ-HSZRJFAPSA-N 1 1 405.567 4.344 50 10 HICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccsc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000038666780 571054760 /nfs/dbraw/zinc/05/47/60/571054760.db2.gz QSROKDUEIQFSHZ-HSZRJFAPSA-N 1 1 405.567 4.344 50 10 HICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cc5ccccc5o4)C3)CC2)cc1 ZINC000019842305 846373803 /nfs/dbraw/zinc/37/38/03/846373803.db2.gz GFEFCLVDRRCTEK-JOCHJYFZSA-N 1 1 405.542 4.228 50 10 HICAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](C/C=C/c4ccc(F)cc4)C3)CC2)cc1 ZINC000020992920 558426174 /nfs/dbraw/zinc/42/61/74/558426174.db2.gz QPKXPUSVYSEANP-JWZSXRADSA-N 1 1 409.549 4.134 50 10 HICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](C/C=C/c4ccc(F)cc4)C3)CC2)cc1 ZINC000020992920 558426175 /nfs/dbraw/zinc/42/61/75/558426175.db2.gz QPKXPUSVYSEANP-JWZSXRADSA-N 1 1 409.549 4.134 50 10 HICAMO COc1ccc(-c2cc3n(n2)CCC[N@@H+](Cc2ccc(N(C)C)cc2)C3)cc1OC ZINC000065270400 569214049 /nfs/dbraw/zinc/21/40/49/569214049.db2.gz CAQCZDPEGVGMKO-UHFFFAOYSA-N 1 1 406.530 4.039 50 10 HICAMO COc1ccc(O)c(C[N@H+]2CCOc3c(cc(-c4ccccc4OC)cc3OC)C2)c1 ZINC000055120381 849974581 /nfs/dbraw/zinc/97/45/81/849974581.db2.gz BQQMQQWCQGWDFC-UHFFFAOYSA-N 1 1 421.493 4.480 50 10 HICAMO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n(-c2ccccc2)n1 ZINC000012567465 132364463 /nfs/dbraw/zinc/36/44/63/132364463.db2.gz ZWQXJKANZBNAPW-UHFFFAOYSA-N 1 1 417.557 4.242 50 10 HICAMO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n(-c2ccccc2)n1 ZINC000012567465 132364464 /nfs/dbraw/zinc/36/44/64/132364464.db2.gz ZWQXJKANZBNAPW-UHFFFAOYSA-N 1 1 417.557 4.242 50 10 HICAMO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000011662149 558265910 /nfs/dbraw/zinc/26/59/10/558265910.db2.gz IVMZQFMGAPFRSX-QHCPKHFHSA-N 1 1 419.468 4.067 50 10 HICAMO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c1O ZINC000004556434 558725796 /nfs/dbraw/zinc/72/57/96/558725796.db2.gz RRAKCUCBSPMMDC-OAQYLSRUSA-N 1 1 421.522 4.450 50 10 HICAMO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c1O ZINC000004556434 558725799 /nfs/dbraw/zinc/72/57/99/558725799.db2.gz RRAKCUCBSPMMDC-OAQYLSRUSA-N 1 1 421.522 4.450 50 10 HICAMO Cc1cccc(Oc2nc(N3CCCC3)nc3c2C[N@H+](Cc2ccccc2O)CC3)c1 ZINC000034755949 557458296 /nfs/dbraw/zinc/45/82/96/557458296.db2.gz IYYNRDJIPMIKFM-UHFFFAOYSA-N 1 1 416.525 4.441 50 10 HICAMO Cc1cccc(Oc2nc(N3CCCC3)nc3c2C[N@@H+](Cc2ccccc2O)CC3)c1 ZINC000034755949 557458301 /nfs/dbraw/zinc/45/83/01/557458301.db2.gz IYYNRDJIPMIKFM-UHFFFAOYSA-N 1 1 416.525 4.441 50 10 HICAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](C/C=C/c4ccccc4OC)C3)CC2)cc1 ZINC000020324038 558355325 /nfs/dbraw/zinc/35/53/25/558355325.db2.gz RGVFFYLFCJQCNC-GGXQVSFTSA-N 1 1 421.585 4.004 50 10 HICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](C/C=C/c4ccccc4OC)C3)CC2)cc1 ZINC000020324038 558355326 /nfs/dbraw/zinc/35/53/26/558355326.db2.gz RGVFFYLFCJQCNC-GGXQVSFTSA-N 1 1 421.585 4.004 50 10 HICAMO COc1ccc(N2CC[NH+](Cc3cc(=O)oc4cc5c(cc34)CCCC5)CC2)cc1 ZINC000054105918 569057461 /nfs/dbraw/zinc/05/74/61/569057461.db2.gz ORHIKFUAOKOCGR-UHFFFAOYSA-N 1 1 404.510 4.003 50 10 HICAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(C)c2O)N3)C1 ZINC000008927632 571160317 /nfs/dbraw/zinc/16/03/17/571160317.db2.gz FUWOKHNVSJZXKJ-MRXNPFEDSA-N 1 1 422.348 4.332 50 10 HICAMO CN(C)c1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000032593893 522174977 /nfs/dbraw/zinc/17/49/77/522174977.db2.gz SECRSKSATBESLL-OAQYLSRUSA-N 1 1 414.933 4.441 50 10 HICAMO CN(C)c1ccc(C[N@H+](Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000032593894 522177734 /nfs/dbraw/zinc/17/77/34/522177734.db2.gz SECRSKSATBESLL-NRFANRHFSA-N 1 1 414.933 4.441 50 10 HICAMO COc1ccc(CC[NH+]2CCC(C[N@H+](C)Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000012705024 558449549 /nfs/dbraw/zinc/44/95/49/558449549.db2.gz WPIUPQDCEJEJCK-UHFFFAOYSA-N 1 1 402.966 4.441 50 10 HICAMO COc1ccc(CC[NH+]2CCC(C[N@@H+](C)Cc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000012705024 558449550 /nfs/dbraw/zinc/44/95/50/558449550.db2.gz WPIUPQDCEJEJCK-UHFFFAOYSA-N 1 1 402.966 4.441 50 10 HICAMO CSc1ccc2c(c1)[C@H]([NH+]1CCN(CCCO)CC1)Cc1ccc(F)cc1S2 ZINC000033824213 558771535 /nfs/dbraw/zinc/77/15/35/558771535.db2.gz LPFRDGDSDQFNIT-HXUWFJFHSA-N 1 1 418.603 4.296 50 10 HICAMO COc1cc(Br)cc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)c1O ZINC000055292343 558878698 /nfs/dbraw/zinc/87/86/98/558878698.db2.gz ZCRWLQGDQIJQMM-UHFFFAOYSA-N 1 1 405.336 4.102 50 10 HICAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 ZINC000006654910 568457072 /nfs/dbraw/zinc/45/70/72/568457072.db2.gz IGGGUAJDSOCMRB-OAHLLOKOSA-N 1 1 408.321 4.023 50 10 HICAMO CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000095426757 568608170 /nfs/dbraw/zinc/60/81/70/568608170.db2.gz LARLOLGPYILEGF-OAHLLOKOSA-N 1 1 423.344 4.007 50 10 HICAMO CC(C)c1ncc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000095426757 568608171 /nfs/dbraw/zinc/60/81/71/568608171.db2.gz LARLOLGPYILEGF-OAHLLOKOSA-N 1 1 423.344 4.007 50 10 HICAMO C[C@@H]1CCC[N@@H+](CCNc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)C1 ZINC000006737861 569106378 /nfs/dbraw/zinc/10/63/78/569106378.db2.gz LDMWCYXXLLLJOU-OAHLLOKOSA-N 1 1 404.514 4.249 50 10 HICAMO COc1ccc2ccc(O)c(C[NH+]3CCN(c4ccc(C(C)=O)cc4F)CC3)c2c1 ZINC000012543856 132362656 /nfs/dbraw/zinc/36/26/56/132362656.db2.gz FELLNDJSSBFXFN-UHFFFAOYSA-N 1 1 408.473 4.218 50 10 HICAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)CC(C)C)CC2)cc1 ZINC000097546847 557823966 /nfs/dbraw/zinc/82/39/66/557823966.db2.gz IBIGRZXDNZGNKD-MBSDFSHPSA-N 1 1 415.603 4.171 50 10 HICAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000011873555 558291417 /nfs/dbraw/zinc/29/14/17/558291417.db2.gz RMOBAGYFOMECMG-LJQANCHMSA-N 1 1 403.482 4.430 50 10 HICAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4[nH]c5ccccc5c4C)C3)CC2)cc1 ZINC000020271013 558352875 /nfs/dbraw/zinc/35/28/75/558352875.db2.gz XXUYBAVTKIGQBD-JOCHJYFZSA-N 1 1 418.585 4.272 50 10 HICAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4[nH]c5ccccc5c4C)C3)CC2)cc1 ZINC000020271013 558352877 /nfs/dbraw/zinc/35/28/77/558352877.db2.gz XXUYBAVTKIGQBD-JOCHJYFZSA-N 1 1 418.585 4.272 50 10 HICAMO C[C@@H]([NH2+]CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000013062879 558510139 /nfs/dbraw/zinc/51/01/39/558510139.db2.gz BECXCGFZFFFTRS-CQSZACIVSA-N 1 1 418.880 4.405 50 10 HICAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc(SC)cc4)C3)CC2)cc1 ZINC000019595665 558946044 /nfs/dbraw/zinc/94/60/44/558946044.db2.gz BBMDHIXPEOUTHM-QFIPXVFZSA-N 1 1 411.615 4.204 50 10 HICAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc(SC)cc4)C3)CC2)cc1 ZINC000019595665 558946047 /nfs/dbraw/zinc/94/60/47/558946047.db2.gz BBMDHIXPEOUTHM-QFIPXVFZSA-N 1 1 411.615 4.204 50 10 HICAMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000095454731 568616237 /nfs/dbraw/zinc/61/62/37/568616237.db2.gz DSESNZWIFSWZLP-OAHLLOKOSA-N 1 1 405.458 4.171 50 10 HICAMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000095454731 568616241 /nfs/dbraw/zinc/61/62/41/568616241.db2.gz DSESNZWIFSWZLP-OAHLLOKOSA-N 1 1 405.458 4.171 50 10 HICAMO CN(C)c1ccc([C@@H](CNC(=O)c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000035349261 569033431 /nfs/dbraw/zinc/03/34/31/569033431.db2.gz XDNWYGQOOHIFDR-JOCHJYFZSA-N 1 1 405.567 4.344 50 10 HICAMO CN(C)c1ccc([C@@H](CNC(=O)c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349261 569033432 /nfs/dbraw/zinc/03/34/32/569033432.db2.gz XDNWYGQOOHIFDR-JOCHJYFZSA-N 1 1 405.567 4.344 50 10 HICAMO C[C@H]1CCCN(c2cc(N3CC[NH+](C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)C1 ZINC000006738009 132314345 /nfs/dbraw/zinc/31/43/45/132314345.db2.gz OGLSAZIPMPTGIT-INIZCTEOSA-N 1 1 416.525 4.027 50 10 HICAMO CC(C)c1ccc2c(c1)[C@H](N1CC[NH+](CCO)CC1)Cc1ccc(F)cc1S2 ZINC000022459325 558490479 /nfs/dbraw/zinc/49/04/79/558490479.db2.gz XDBMBHVYXPBOPL-OAQYLSRUSA-N 1 1 400.563 4.307 50 10 HICAMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000006082930 568996498 /nfs/dbraw/zinc/99/64/98/568996498.db2.gz CTVPWOGGAJWDEK-HXUWFJFHSA-N 1 1 401.890 4.219 50 10 HICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000035349253 569033437 /nfs/dbraw/zinc/03/34/37/569033437.db2.gz ASWQGSQIQQVEQU-RUZDIDTESA-N 1 1 417.528 4.421 50 10 HICAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349253 569033438 /nfs/dbraw/zinc/03/34/38/569033438.db2.gz ASWQGSQIQQVEQU-RUZDIDTESA-N 1 1 417.528 4.421 50 10 HICAMO O=C(NCc1ccc(N2CCCCC2)cc1)C1=CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000064818068 569101169 /nfs/dbraw/zinc/10/11/69/569101169.db2.gz DVVWPIQLQRIZTH-UHFFFAOYSA-N 1 1 407.533 4.265 50 10 HICAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](C/C=C/c4ccccc4OC)C3)CC2)cc1 ZINC000020324045 558355298 /nfs/dbraw/zinc/35/52/98/558355298.db2.gz RGVFFYLFCJQCNC-LNJOJYBOSA-N 1 1 421.585 4.004 50 10 HICAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](C/C=C/c4ccccc4OC)C3)CC2)cc1 ZINC000020324045 558355299 /nfs/dbraw/zinc/35/52/99/558355299.db2.gz RGVFFYLFCJQCNC-LNJOJYBOSA-N 1 1 421.585 4.004 50 10 HICAMO COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c1O ZINC000004556433 558725931 /nfs/dbraw/zinc/72/59/31/558725931.db2.gz RRAKCUCBSPMMDC-NRFANRHFSA-N 1 1 421.522 4.450 50 10 HICAMO COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c1O ZINC000004556433 558725932 /nfs/dbraw/zinc/72/59/32/558725932.db2.gz RRAKCUCBSPMMDC-NRFANRHFSA-N 1 1 421.522 4.450 50 10 HICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000038666781 571054774 /nfs/dbraw/zinc/05/47/74/571054774.db2.gz QSROKDUEIQFSHZ-QHCPKHFHSA-N 1 1 405.567 4.344 50 10 HICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccsc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000038666781 571054776 /nfs/dbraw/zinc/05/47/76/571054776.db2.gz QSROKDUEIQFSHZ-QHCPKHFHSA-N 1 1 405.567 4.344 50 10 HICAMO CC1CCN(c2cc(N3CC[NH+](C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)CC1 ZINC000006737999 132314343 /nfs/dbraw/zinc/31/43/43/132314343.db2.gz PIIWIUSGSNYEOH-UHFFFAOYSA-N 1 1 416.525 4.027 50 10 HICAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4[nH]c5ccccc5c4C)C3)CC2)cc1 ZINC000020271015 558352886 /nfs/dbraw/zinc/35/28/86/558352886.db2.gz XXUYBAVTKIGQBD-QFIPXVFZSA-N 1 1 418.585 4.272 50 10 HICAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4[nH]c5ccccc5c4C)C3)CC2)cc1 ZINC000020271015 558352887 /nfs/dbraw/zinc/35/28/87/558352887.db2.gz XXUYBAVTKIGQBD-QFIPXVFZSA-N 1 1 418.585 4.272 50 10 HICAMO COc1cc(Cl)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1O ZINC000004555305 558724307 /nfs/dbraw/zinc/72/43/07/558724307.db2.gz CUBNNJHRZZYMMS-KRWDZBQOSA-N 1 1 407.923 4.311 50 10 HICAMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000095454730 568616350 /nfs/dbraw/zinc/61/63/50/568616350.db2.gz DSESNZWIFSWZLP-HNNXBMFYSA-N 1 1 405.458 4.171 50 10 HICAMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000095454730 568616353 /nfs/dbraw/zinc/61/63/53/568616353.db2.gz DSESNZWIFSWZLP-HNNXBMFYSA-N 1 1 405.458 4.171 50 10 HICAMO CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)c1O ZINC000012431554 845870564 /nfs/dbraw/zinc/87/05/64/845870564.db2.gz YSRIMMJKDIPPNO-IBGZPJMESA-N 1 1 420.513 4.032 50 10 HICAMO COc1ccc(/C=C/C[N@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000019795183 558284294 /nfs/dbraw/zinc/28/42/94/558284294.db2.gz QBVSDFMGMRUPGN-ISTCRNMPSA-N 1 1 421.585 4.004 50 10 HICAMO COc1ccc(/C=C/CN2CCC[C@@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)cc1 ZINC000019795183 558284297 /nfs/dbraw/zinc/28/42/97/558284297.db2.gz QBVSDFMGMRUPGN-ISTCRNMPSA-N 1 1 421.585 4.004 50 10 HICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349258 569033388 /nfs/dbraw/zinc/03/33/88/569033388.db2.gz NPOVIXRADCMFTO-VWLOTQADSA-N 1 1 417.528 4.421 50 10 HICAMO C[C@@H]1C[C@H](C)C[N@H+](CCNc2cc(N(C)C)c3noc4c3c2C(=O)c2ccccc2-4)C1 ZINC000006737863 569106340 /nfs/dbraw/zinc/10/63/40/569106340.db2.gz LBZWGYBTLCKFFV-IYBDPMFKSA-N 1 1 418.541 4.495 50 10 HICAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](C4C5CC6CC(C5)CC4C6)C3)CC2)cc1 ZINC000019789651 569429763 /nfs/dbraw/zinc/42/97/63/569429763.db2.gz RWWGYYVFDTXYDF-HVULOAKNSA-N 1 1 409.618 4.106 50 10 HICAMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](COc3ccccc3C(=O)N3CCCC3)C2)cc1 ZINC000169765233 853658784 /nfs/dbraw/zinc/65/87/84/853658784.db2.gz ZWMISRYUXIAVAI-JOCHJYFZSA-N 1 1 421.585 4.280 50 10 HICAMO COc1cccc(-c2ccc(O)c(C[N@H+](C)Cc3nnc(-c4ccccc4)o3)c2)n1 ZINC000012027959 558310421 /nfs/dbraw/zinc/31/04/21/558310421.db2.gz DTFGKVMCKHMSCW-UHFFFAOYSA-N 1 1 402.454 4.145 50 10 HICAMO COc1cccc(-c2ccc(O)c(C[N@@H+](C)Cc3nnc(-c4ccccc4)o3)c2)n1 ZINC000012027959 558310424 /nfs/dbraw/zinc/31/04/24/558310424.db2.gz DTFGKVMCKHMSCW-UHFFFAOYSA-N 1 1 402.454 4.145 50 10 HICAMO Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000033334427 559063511 /nfs/dbraw/zinc/06/35/11/559063511.db2.gz BOSYWJXAZOVJPK-ATVHPVEESA-N 1 1 420.469 4.300 50 10 HICAMO CCN(CC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c(O)c1 ZINC000057311845 568826721 /nfs/dbraw/zinc/82/67/21/568826721.db2.gz AGZLWHDSNGYHED-FQEVSTJZSA-N 1 1 414.575 4.495 50 10 HICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000035349254 569033434 /nfs/dbraw/zinc/03/34/34/569033434.db2.gz ASWQGSQIQQVEQU-VWLOTQADSA-N 1 1 417.528 4.421 50 10 HICAMO CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349254 569033435 /nfs/dbraw/zinc/03/34/35/569033435.db2.gz ASWQGSQIQQVEQU-VWLOTQADSA-N 1 1 417.528 4.421 50 10 HICAMO O=C1N=C(N2CC[N@H+]3CCC[C@@H]3C2)S/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000071782819 571300807 /nfs/dbraw/zinc/30/08/07/571300807.db2.gz LZSNSASNUUTPQZ-AREJXAQWSA-N 1 1 419.550 4.016 50 10 HICAMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000004177198 557525036 /nfs/dbraw/zinc/52/50/36/557525036.db2.gz XVZSPOWKXDBZIS-QGZVFWFLSA-N 1 1 417.347 4.025 50 10 HICAMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000004177203 557525170 /nfs/dbraw/zinc/52/51/70/557525170.db2.gz XVZSPOWKXDBZIS-KRWDZBQOSA-N 1 1 417.347 4.025 50 10 HICAMO COc1cc(Cl)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)c1O ZINC000004555306 558724351 /nfs/dbraw/zinc/72/43/51/558724351.db2.gz CUBNNJHRZZYMMS-QGZVFWFLSA-N 1 1 407.923 4.311 50 10 HICAMO C[N@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000008709602 571104815 /nfs/dbraw/zinc/10/48/15/571104815.db2.gz ZWIRWFIKWDJJGJ-UHFFFAOYSA-N 1 1 415.537 4.261 50 10 HICAMO C[N@@H+](CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000008709602 571104817 /nfs/dbraw/zinc/10/48/17/571104817.db2.gz ZWIRWFIKWDJJGJ-UHFFFAOYSA-N 1 1 415.537 4.261 50 10 HICAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(C)c2O)N3)C1 ZINC000008927629 571160161 /nfs/dbraw/zinc/16/01/61/571160161.db2.gz FUWOKHNVSJZXKJ-INIZCTEOSA-N 1 1 422.348 4.332 50 10 HICAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccccc2O)C3)cc1OC ZINC000014885016 845989218 /nfs/dbraw/zinc/98/92/18/845989218.db2.gz YZUXRGDOLARUOF-UHFFFAOYSA-N 1 1 421.493 4.480 50 10 HICAMO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000012651039 132365742 /nfs/dbraw/zinc/36/57/42/132365742.db2.gz LINXADHHEIJQFW-UHFFFAOYSA-N 1 1 406.574 4.348 50 10 HICAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccc(N2CCCCC2)cc1 ZINC000012651039 132365743 /nfs/dbraw/zinc/36/57/43/132365743.db2.gz LINXADHHEIJQFW-UHFFFAOYSA-N 1 1 406.574 4.348 50 10 HICAMO CN(C)c1ccc([C@H]2C=C(c3ccc(Cl)cc3OC(F)F)[NH+]=C3N=CNN32)cc1 ZINC000100426529 559200092 /nfs/dbraw/zinc/20/00/92/559200092.db2.gz XYLYMKRFLDNOMG-QGZVFWFLSA-N 1 1 417.847 4.308 50 10 HICAMO O=c1cc(C[N@H+](Cc2ccccc2)C[C@@H](O)c2cccs2)c2cc(O)c(O)cc2o1 ZINC000095466764 568624305 /nfs/dbraw/zinc/62/43/05/568624305.db2.gz JARCLXHEVKXKEJ-HXUWFJFHSA-N 1 1 423.490 4.002 50 10 HICAMO CC[N@H+](Cc1cc(OC)ccc1O)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000055090038 849968195 /nfs/dbraw/zinc/96/81/95/849968195.db2.gz BUFVIFVPLNFVLS-FQEVSTJZSA-N 1 1 400.538 4.317 50 10 HICAMO CN(C)c1ccc(C[N@@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000014981315 558691723 /nfs/dbraw/zinc/69/17/23/558691723.db2.gz BLVXUJDFFNVLEV-UHFFFAOYSA-N 1 1 405.464 4.006 50 10 HICAMO CCCC(=O)NC[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1 ZINC000058224973 558913417 /nfs/dbraw/zinc/91/34/17/558913417.db2.gz KORYLJHAQQDXSL-OAQYLSRUSA-N 1 1 409.574 4.214 50 10 HICAMO CCCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)C1 ZINC000058224973 558913420 /nfs/dbraw/zinc/91/34/20/558913420.db2.gz KORYLJHAQQDXSL-OAQYLSRUSA-N 1 1 409.574 4.214 50 10 HICAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)C(C)(C)C)CC2)cc1 ZINC000023181555 559031478 /nfs/dbraw/zinc/03/14/78/559031478.db2.gz HBALENVETKAKHR-LAUBAEHRSA-N 1 1 415.603 4.171 50 10 HICAMO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@@H+](Cc1cc3c(cc1O)OCO3)CC2 ZINC000007141724 569226222 /nfs/dbraw/zinc/22/62/22/569226222.db2.gz QQRFBWMKJHUEBE-VWLOTQADSA-N 1 1 419.477 4.286 50 10 HICAMO COc1cccc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccc(Cl)cc3)C2)c1O ZINC000012715180 845885194 /nfs/dbraw/zinc/88/51/94/845885194.db2.gz 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CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349256 569033370 /nfs/dbraw/zinc/03/33/70/569033370.db2.gz DLRAVCGCUPTEEQ-VWLOTQADSA-N 1 1 417.528 4.421 50 10 HICAMO CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022665101 132475373 /nfs/dbraw/zinc/47/53/73/132475373.db2.gz DSZORGOOEGFPFJ-XMMPIXPASA-N 1 1 422.617 4.168 50 10 HICAMO CC(C)c1ccc2c(c1)[C@@H](N1CC[NH+](CCO)CC1)Cc1ccc(F)cc1S2 ZINC000022459330 558490492 /nfs/dbraw/zinc/49/04/92/558490492.db2.gz XDBMBHVYXPBOPL-NRFANRHFSA-N 1 1 400.563 4.307 50 10 HICAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3O)cc2)n1 ZINC000019148121 558847086 /nfs/dbraw/zinc/84/70/86/558847086.db2.gz AUUWLCTZOLMQKO-QFIPXVFZSA-N 1 1 404.514 4.188 50 10 HICAMO O=c1oc2c(ccc([O-])c2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2c1CCCC2 ZINC000006759484 569112997 /nfs/dbraw/zinc/11/29/97/569112997.db2.gz YFHFINGOEOJUJF-UHFFFAOYSA-N 1 1 418.537 4.132 50 10 HICAMO CNC(=O)c1ccc(C[N@@H+](C)Cc2c(O)ccc3cc(Br)ccc32)cc1 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