smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001164632958 719259820 /nfs/dbraw/zinc/25/98/20/719259820.db2.gz BYUFJIVRISOSDN-UHFFFAOYSA-N 1 2 432.956 2.607 20 0 IFADLO CC(C)(c1ccnc(Cl)c1)[N@H+]1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001164632958 719259825 /nfs/dbraw/zinc/25/98/25/719259825.db2.gz BYUFJIVRISOSDN-UHFFFAOYSA-N 1 2 432.956 2.607 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccccc4Cl)nn3)CC2)C1=O ZINC001164639887 719277376 /nfs/dbraw/zinc/27/73/76/719277376.db2.gz LAGGUHDULJEVII-UHFFFAOYSA-N 1 2 429.952 2.556 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccccc4Cl)nn3)CC2)C1=O ZINC001164639887 719277379 /nfs/dbraw/zinc/27/73/79/719277379.db2.gz LAGGUHDULJEVII-UHFFFAOYSA-N 1 2 429.952 2.556 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3nccc(SCc4ccccc4)n3)CC2)C1=O ZINC001164644315 719283301 /nfs/dbraw/zinc/28/33/01/719283301.db2.gz IBIFBVUXHIDIIH-UHFFFAOYSA-N 1 2 441.601 2.528 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3nccc(SCc4ccccc4)n3)CC2)C1=O ZINC001164644315 719283305 /nfs/dbraw/zinc/28/33/05/719283305.db2.gz IBIFBVUXHIDIIH-UHFFFAOYSA-N 1 2 441.601 2.528 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)CC2)C1=O ZINC001164644472 719285099 /nfs/dbraw/zinc/28/50/99/719285099.db2.gz KVLZEJCKKXCSDQ-UHFFFAOYSA-N 1 2 442.938 2.614 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)CC2)C1=O ZINC001164644472 719285102 /nfs/dbraw/zinc/28/51/02/719285102.db2.gz KVLZEJCKKXCSDQ-UHFFFAOYSA-N 1 2 442.938 2.614 20 0 IFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C(=O)OC)n1)CC2 ZINC001164664532 719347788 /nfs/dbraw/zinc/34/77/88/719347788.db2.gz XDCXEVAJRPAMEG-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C(=O)OC)n1)CC2 ZINC001164664532 719347791 /nfs/dbraw/zinc/34/77/91/719347791.db2.gz XDCXEVAJRPAMEG-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO CCOC(=O)Cc1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164669997 719512288 /nfs/dbraw/zinc/51/22/88/719512288.db2.gz ANJGWXWTQXHEHY-UHFFFAOYSA-N 1 2 428.508 2.593 20 0 IFADLO CCOC(=O)Cc1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164669997 719512301 /nfs/dbraw/zinc/51/23/01/719512301.db2.gz ANJGWXWTQXHEHY-UHFFFAOYSA-N 1 2 428.508 2.593 20 0 IFADLO COC(=O)CSc1cncc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164677002 719525560 /nfs/dbraw/zinc/52/55/60/719525560.db2.gz ABVQCKOIPUECOF-UHFFFAOYSA-N 1 2 446.548 2.752 20 0 IFADLO COC(=O)CSc1cncc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164677002 719525569 /nfs/dbraw/zinc/52/55/69/719525569.db2.gz ABVQCKOIPUECOF-UHFFFAOYSA-N 1 2 446.548 2.752 20 0 IFADLO O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164677858 719535072 /nfs/dbraw/zinc/53/50/72/719535072.db2.gz HNOJVBGDMWQXCR-QDSKXPNFSA-N 1 2 447.583 2.641 20 0 IFADLO O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164677858 719535077 /nfs/dbraw/zinc/53/50/77/719535077.db2.gz HNOJVBGDMWQXCR-QDSKXPNFSA-N 1 2 447.583 2.641 20 0 IFADLO O=C([C@@H]1C[C@H]2OCC[C@@H]2N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164677856 719535215 /nfs/dbraw/zinc/53/52/15/719535215.db2.gz HNOJVBGDMWQXCR-FGCOXFRFSA-N 1 2 447.583 2.641 20 0 IFADLO O=C([C@@H]1C[C@H]2OCC[C@@H]2N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164677856 719535220 /nfs/dbraw/zinc/53/52/20/719535220.db2.gz HNOJVBGDMWQXCR-FGCOXFRFSA-N 1 2 447.583 2.641 20 0 IFADLO COCc1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc(-c2ccccc2)n1 ZINC001164699966 719841837 /nfs/dbraw/zinc/84/18/37/719841837.db2.gz JDUVELVAWPURAT-YKSBVNFPSA-N 1 2 440.544 2.523 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccnc1C1SCCCS1 ZINC001164703349 719848586 /nfs/dbraw/zinc/84/85/86/719848586.db2.gz QSQZLGHJQRYCRU-QRWLVFNGSA-N 1 2 438.619 2.578 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2nc1Cl ZINC001164706419 719850812 /nfs/dbraw/zinc/85/08/12/719850812.db2.gz XKJWYDSPBPKOLW-SPLOXXLWSA-N 1 2 434.924 2.525 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(Oc2cccc(OC)c2)n1 ZINC001164700110 719861925 /nfs/dbraw/zinc/86/19/25/719861925.db2.gz GLEOFILPSMNADA-UZUQRXQVSA-N 1 2 442.516 2.510 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2c(F)cccc2F)nn1 ZINC001164707807 719872450 /nfs/dbraw/zinc/87/24/50/719872450.db2.gz VPJQRMMOFNESJV-IVZQSRNASA-N 1 2 432.471 2.655 20 0 IFADLO CCOc1ccc(-c2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nn2)cc1 ZINC001164706501 719872987 /nfs/dbraw/zinc/87/29/87/719872987.db2.gz PRAYWANRSPXZES-DVECYGJZSA-N 1 2 440.544 2.775 20 0 IFADLO Cc1ccc2nc(Cl)cc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164704794 719902893 /nfs/dbraw/zinc/90/28/93/719902893.db2.gz RZNLCZKWCWUHJP-UHFFFAOYSA-N 1 2 438.963 2.880 20 0 IFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164709450 719910935 /nfs/dbraw/zinc/91/09/35/719910935.db2.gz VBHXWPORTPNGID-UHFFFAOYSA-N 1 2 443.766 2.726 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4c(-c4ccccc4)n3)C2)C1 ZINC001164719821 720243257 /nfs/dbraw/zinc/24/32/57/720243257.db2.gz PGPIVRHQBMVXFG-SANMLTNESA-N 1 2 445.567 2.962 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4c(-c4ccccc4)n3)C2)C1 ZINC001164719821 720243273 /nfs/dbraw/zinc/24/32/73/720243273.db2.gz PGPIVRHQBMVXFG-SANMLTNESA-N 1 2 445.567 2.962 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)C1 ZINC001164719388 720249422 /nfs/dbraw/zinc/24/94/22/720249422.db2.gz LVXVXOLBOIAIPT-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)C1 ZINC001164719388 720249435 /nfs/dbraw/zinc/24/94/35/720249435.db2.gz LVXVXOLBOIAIPT-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1 ZINC001164722380 720309155 /nfs/dbraw/zinc/30/91/55/720309155.db2.gz KSKZZFTXNFGDOW-FQEVSTJZSA-N 1 2 442.938 2.822 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1 ZINC001164722380 720309160 /nfs/dbraw/zinc/30/91/60/720309160.db2.gz KSKZZFTXNFGDOW-FQEVSTJZSA-N 1 2 442.938 2.822 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc(C)c4C)CC3)C2=O)cs1 ZINC001164827837 720356949 /nfs/dbraw/zinc/35/69/49/720356949.db2.gz MWBVIDGMJUFVTR-UHFFFAOYSA-N 1 2 434.997 2.825 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc(C)c4C)CC3)C2=O)cs1 ZINC001164827837 720356955 /nfs/dbraw/zinc/35/69/55/720356955.db2.gz MWBVIDGMJUFVTR-UHFFFAOYSA-N 1 2 434.997 2.825 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164826613 720358638 /nfs/dbraw/zinc/35/86/38/720358638.db2.gz XQRWDGOHQFKSIC-UHFFFAOYSA-N 1 2 445.980 2.689 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5[nH]ccc54)CC3)C2=O)cs1 ZINC001164826613 720358642 /nfs/dbraw/zinc/35/86/42/720358642.db2.gz XQRWDGOHQFKSIC-UHFFFAOYSA-N 1 2 445.980 2.689 20 0 IFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)C2 ZINC001164857828 720896133 /nfs/dbraw/zinc/89/61/33/720896133.db2.gz KCDHQVPVVFSPNH-UHFFFAOYSA-N 1 2 445.861 2.973 20 0 IFADLO FC(F)(COc1ccc(Cl)nn1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770660 721275476 /nfs/dbraw/zinc/27/54/76/721275476.db2.gz WKVMPQGQKGJBLS-AWEZNQCLSA-N 1 2 436.850 2.904 20 0 IFADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770622 721275528 /nfs/dbraw/zinc/27/55/28/721275528.db2.gz UXLBWJQCWXQCRR-CYBMUJFWSA-N 1 2 448.861 2.686 20 0 IFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164782138 721391109 /nfs/dbraw/zinc/39/11/09/721391109.db2.gz DFDNLRNZRUGSEV-VXGBXAGGSA-N 1 2 443.907 2.876 20 0 IFADLO COC(=O)c1ccc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc1Cl ZINC001165010472 721698821 /nfs/dbraw/zinc/69/88/21/721698821.db2.gz IPYVIJDOONADTJ-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1ccc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc1Cl ZINC001165010472 721698831 /nfs/dbraw/zinc/69/88/31/721698831.db2.gz IPYVIJDOONADTJ-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010429 721704915 /nfs/dbraw/zinc/70/49/15/721704915.db2.gz IIIZNZDRUOAKMQ-UHFFFAOYSA-N 1 2 443.939 2.912 20 0 IFADLO COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010429 721704920 /nfs/dbraw/zinc/70/49/20/721704920.db2.gz IIIZNZDRUOAKMQ-UHFFFAOYSA-N 1 2 443.939 2.912 20 0 IFADLO Cc1cc(Cl)ncc1C(F)(F)N1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001165015565 721765968 /nfs/dbraw/zinc/76/59/68/721765968.db2.gz RESISGIHXKCRMJ-UHFFFAOYSA-N 1 2 449.893 2.511 20 0 IFADLO Clc1cccc2ncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164913586 721774232 /nfs/dbraw/zinc/77/42/32/721774232.db2.gz XZVVVUOFLMKPPS-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1cccc2ncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164913586 721774233 /nfs/dbraw/zinc/77/42/33/721774233.db2.gz XZVVVUOFLMKPPS-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO c1ccc(Oc2nccnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164914021 721798194 /nfs/dbraw/zinc/79/81/94/721798194.db2.gz KBKBWCHTQJAMAU-XMMPIXPASA-N 1 2 433.512 2.772 20 0 IFADLO c1ccc(Oc2nccnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164914021 721798197 /nfs/dbraw/zinc/79/81/97/721798197.db2.gz KBKBWCHTQJAMAU-XMMPIXPASA-N 1 2 433.512 2.772 20 0 IFADLO CCc1nc(Cl)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913226 721800632 /nfs/dbraw/zinc/80/06/32/721800632.db2.gz BLXPQFJVIGPLSU-FQEVSTJZSA-N 1 2 438.359 2.849 20 0 IFADLO CCc1nc(Cl)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913226 721800633 /nfs/dbraw/zinc/80/06/33/721800633.db2.gz BLXPQFJVIGPLSU-FQEVSTJZSA-N 1 2 438.359 2.849 20 0 IFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(C)nc(NC(=O)c3ccccc3)n2)CC1 ZINC001164919401 721820627 /nfs/dbraw/zinc/82/06/27/721820627.db2.gz PRTZGBNFBZRDJC-UHFFFAOYSA-N 1 2 431.544 2.983 20 0 IFADLO COc1cc2ncc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc2cc1OC ZINC001164945100 721973458 /nfs/dbraw/zinc/97/34/58/721973458.db2.gz OVMIZTWJJQDNRS-UHFFFAOYSA-N 1 2 447.539 2.618 20 0 IFADLO COc1cc2ncc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc2cc1OC ZINC001164945100 721973460 /nfs/dbraw/zinc/97/34/60/721973460.db2.gz OVMIZTWJJQDNRS-UHFFFAOYSA-N 1 2 447.539 2.618 20 0 IFADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945078 721973984 /nfs/dbraw/zinc/97/39/84/721973984.db2.gz OMLQCRSWNKEWMT-UHFFFAOYSA-N 1 2 449.555 2.502 20 0 IFADLO CCOC(=O)c1cnc(C2CC2)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945078 721973986 /nfs/dbraw/zinc/97/39/86/721973986.db2.gz OMLQCRSWNKEWMT-UHFFFAOYSA-N 1 2 449.555 2.502 20 0 IFADLO CCOC(=O)c1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ccc1Cl ZINC001164945022 721976755 /nfs/dbraw/zinc/97/67/55/721976755.db2.gz APIPPZSZPXDIOA-UHFFFAOYSA-N 1 2 442.947 2.883 20 0 IFADLO CCOC(=O)c1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ccc1Cl ZINC001164945022 721976758 /nfs/dbraw/zinc/97/67/58/721976758.db2.gz APIPPZSZPXDIOA-UHFFFAOYSA-N 1 2 442.947 2.883 20 0 IFADLO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944994 721976848 /nfs/dbraw/zinc/97/68/48/721976848.db2.gz ABGORPUPVOTSFD-CMDGGOBGSA-N 1 2 434.540 2.547 20 0 IFADLO COC(=O)/C=C/c1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944994 721976854 /nfs/dbraw/zinc/97/68/54/721976854.db2.gz ABGORPUPVOTSFD-CMDGGOBGSA-N 1 2 434.540 2.547 20 0 IFADLO C[C@H]1CCCN(c2nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n2)[C@H]1C ZINC001165051052 721997942 /nfs/dbraw/zinc/99/79/42/721997942.db2.gz CSNYDSMGXGJRLB-ROUUACIJSA-N 1 2 444.649 2.900 20 0 IFADLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164963738 722064120 /nfs/dbraw/zinc/06/41/20/722064120.db2.gz COIZDOLVEJTRBK-YADHBBJMSA-N 1 2 446.580 2.985 20 0 IFADLO O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164963738 722064124 /nfs/dbraw/zinc/06/41/24/722064124.db2.gz COIZDOLVEJTRBK-YADHBBJMSA-N 1 2 446.580 2.985 20 0 IFADLO CCOC(=O)Cc1cc[nH+]c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1 ZINC001164986988 722186621 /nfs/dbraw/zinc/18/66/21/722186621.db2.gz HWAQRKPGCDSMCG-PMACEKPBSA-N 1 2 430.574 2.822 20 0 IFADLO C[C@@H]1CCCN(c2cc(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)nc[nH+]2)C1 ZINC001165007749 722269526 /nfs/dbraw/zinc/26/95/26/722269526.db2.gz XUWRCNBESXCCCH-HOYKHHGWSA-N 1 2 438.551 2.780 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4ccc(Cl)cc4nc3Cl)CC2)C1=O ZINC001164633867 719272387 /nfs/dbraw/zinc/27/23/87/719272387.db2.gz JBNCIFOWYTYBPO-UHFFFAOYSA-N 1 2 438.359 2.696 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4ccc(Cl)cc4nc3Cl)CC2)C1=O ZINC001164633867 719272394 /nfs/dbraw/zinc/27/23/94/719272394.db2.gz JBNCIFOWYTYBPO-UHFFFAOYSA-N 1 2 438.359 2.696 20 0 IFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)ncn1)CC2 ZINC001164663519 719350008 /nfs/dbraw/zinc/35/00/08/719350008.db2.gz JHTFPRWFSCLOMI-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(=O)OC)ncn1)CC2 ZINC001164663519 719350012 /nfs/dbraw/zinc/35/00/12/719350012.db2.gz JHTFPRWFSCLOMI-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1OC ZINC001164674373 719495646 /nfs/dbraw/zinc/49/56/46/719495646.db2.gz VRNLRJOXZSLTNO-UHFFFAOYSA-N 1 2 429.492 2.887 20 0 IFADLO COC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1OC ZINC001164674373 719495649 /nfs/dbraw/zinc/49/56/49/719495649.db2.gz VRNLRJOXZSLTNO-UHFFFAOYSA-N 1 2 429.492 2.887 20 0 IFADLO CCOC(=O)c1ncnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C ZINC001164671684 719512640 /nfs/dbraw/zinc/51/26/40/719512640.db2.gz HEXOFSLYVVZUHH-UHFFFAOYSA-N 1 2 428.508 2.972 20 0 IFADLO CCOC(=O)c1ncnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C ZINC001164671684 719512642 /nfs/dbraw/zinc/51/26/42/719512642.db2.gz HEXOFSLYVVZUHH-UHFFFAOYSA-N 1 2 428.508 2.972 20 0 IFADLO COCc1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc(-c2ccccc2)n1 ZINC001164699963 719841915 /nfs/dbraw/zinc/84/19/15/719841915.db2.gz JDUVELVAWPURAT-RDPSFJRHSA-N 1 2 440.544 2.523 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2c[nH]c3ccccc32)n1 ZINC001164701486 719853381 /nfs/dbraw/zinc/85/33/81/719853381.db2.gz KRPWOJULMKPOSU-XDHUDOTRSA-N 1 2 435.528 2.858 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(OCc2ccccc2)n1 ZINC001164701897 719862976 /nfs/dbraw/zinc/86/29/76/719862976.db2.gz LVPVCFOEWJBMKN-RDPSFJRHSA-N 1 2 425.529 2.893 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1OCc1ccccc1 ZINC001164707992 719867347 /nfs/dbraw/zinc/86/73/47/719867347.db2.gz XCNKWUBMRIQSRW-RDPSFJRHSA-N 1 2 425.529 2.893 20 0 IFADLO CCN(c1ccccc1)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncn1 ZINC001164702308 719874496 /nfs/dbraw/zinc/87/44/96/719874496.db2.gz IEMKRWUMVACWMW-GBXCKJPGSA-N 1 2 439.560 2.867 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)nc(Cl)nc1C1CC1 ZINC001164698953 719878806 /nfs/dbraw/zinc/87/88/06/719878806.db2.gz GIBGKONFJPKVPA-BFUOFWGJSA-N 1 2 429.348 2.894 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1c(Cl)nc(Cl)nc1C1CC1 ZINC001164698961 719878820 /nfs/dbraw/zinc/87/88/20/719878820.db2.gz GIBGKONFJPKVPA-YJYMSZOUSA-N 1 2 429.348 2.894 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1 ZINC001164722382 720310402 /nfs/dbraw/zinc/31/04/02/720310402.db2.gz KSKZZFTXNFGDOW-HXUWFJFHSA-N 1 2 442.938 2.822 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C2)C1 ZINC001164722382 720310406 /nfs/dbraw/zinc/31/04/06/720310406.db2.gz KSKZZFTXNFGDOW-HXUWFJFHSA-N 1 2 442.938 2.822 20 0 IFADLO COc1nnc(Cl)cc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@H]1CNC(C)=O ZINC001164723899 720317186 /nfs/dbraw/zinc/31/71/86/720317186.db2.gz PTAPGNMRIOIKPT-CQSZACIVSA-N 1 2 428.871 2.701 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)ncc4Cl)CC3)C2=O)cs1 ZINC001164825519 720359982 /nfs/dbraw/zinc/35/99/82/720359982.db2.gz QGFABQDAILBRCW-UHFFFAOYSA-N 1 2 441.388 2.862 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)ncc4Cl)CC3)C2=O)cs1 ZINC001164825519 720359986 /nfs/dbraw/zinc/35/99/86/720359986.db2.gz QGFABQDAILBRCW-UHFFFAOYSA-N 1 2 441.388 2.862 20 0 IFADLO COc1cc(Cl)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164823982 720361072 /nfs/dbraw/zinc/36/10/72/720361072.db2.gz FQSYLOOVYOKGDE-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO COc1cc(Cl)cnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164823982 720361080 /nfs/dbraw/zinc/36/10/80/720361080.db2.gz FQSYLOOVYOKGDE-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5ccoc54)CC3)C2=O)cs1 ZINC001164823984 720361667 /nfs/dbraw/zinc/36/16/67/720361667.db2.gz FUDJYASMWBLDQN-UHFFFAOYSA-N 1 2 446.964 2.954 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5ccoc54)CC3)C2=O)cs1 ZINC001164823984 720361671 /nfs/dbraw/zinc/36/16/71/720361671.db2.gz FUDJYASMWBLDQN-UHFFFAOYSA-N 1 2 446.964 2.954 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)c(Cl)c(C)n4)CC3)C2=O)cs1 ZINC001164819333 720372505 /nfs/dbraw/zinc/37/25/05/720372505.db2.gz CWRSQSWMFSIBMO-UHFFFAOYSA-N 1 2 434.997 2.825 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)c(Cl)c(C)n4)CC3)C2=O)cs1 ZINC001164819333 720372514 /nfs/dbraw/zinc/37/25/14/720372514.db2.gz CWRSQSWMFSIBMO-UHFFFAOYSA-N 1 2 434.997 2.825 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(C(C)(C)C)nn4)CC3)C2=O)cs1 ZINC001164820271 720380028 /nfs/dbraw/zinc/38/00/28/720380028.db2.gz MWYXHHRXNNTRFC-UHFFFAOYSA-N 1 2 428.606 2.852 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(C(C)(C)C)nn4)CC3)C2=O)cs1 ZINC001164820271 720380037 /nfs/dbraw/zinc/38/00/37/720380037.db2.gz MWYXHHRXNNTRFC-UHFFFAOYSA-N 1 2 428.606 2.852 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3ccc(F)cc31)C2 ZINC001164822345 720455083 /nfs/dbraw/zinc/45/50/83/720455083.db2.gz DDMFFEVWRZNTMI-SFHVURJKSA-N 1 2 425.508 2.560 20 0 IFADLO CSc1cc(Cl)cnc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164828862 720468362 /nfs/dbraw/zinc/46/83/62/720468362.db2.gz BHIZOTXUZUJUEN-HNNXBMFYSA-N 1 2 437.997 2.643 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3ccc(F)cc3cn1)C2 ZINC001164831739 720473492 /nfs/dbraw/zinc/47/34/92/720473492.db2.gz PEANXSHKRRSZTR-IBGZPJMESA-N 1 2 425.508 2.560 20 0 IFADLO Cc1nc(C2CC2)nc(Cl)c1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164832260 720473633 /nfs/dbraw/zinc/47/36/33/720473633.db2.gz RZSQEZFNBRGJEN-QGZVFWFLSA-N 1 2 446.983 2.502 20 0 IFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164858758 720895400 /nfs/dbraw/zinc/89/54/00/720895400.db2.gz OSFGYTGATJHHAL-UHFFFAOYSA-N 1 2 442.257 2.540 20 0 IFADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758935 720980303 /nfs/dbraw/zinc/98/03/03/720980303.db2.gz XFHMTKYWTGGOSZ-CYBMUJFWSA-N 1 2 425.867 2.638 20 0 IFADLO FC(F)(COc1ccc(Cl)nn1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870620 721219825 /nfs/dbraw/zinc/21/98/25/721219825.db2.gz GTUONBALLSGLOA-UHFFFAOYSA-N 1 2 425.867 2.868 20 0 IFADLO CCN1C(=O)[C@]2(CC[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]32)N=C1C ZINC001164869523 721226830 /nfs/dbraw/zinc/22/68/30/721226830.db2.gz CPNLIFNZQUZGFO-WDZJFXIESA-N 1 2 444.583 2.900 20 0 IFADLO CCN1C(=O)[C@]2(CC[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]32)N=C1C ZINC001164869523 721226836 /nfs/dbraw/zinc/22/68/36/721226836.db2.gz CPNLIFNZQUZGFO-WDZJFXIESA-N 1 2 444.583 2.900 20 0 IFADLO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]32)N=C1C ZINC001164869504 721227208 /nfs/dbraw/zinc/22/72/08/721227208.db2.gz CPNLIFNZQUZGFO-LIXHSBQKSA-N 1 2 444.583 2.900 20 0 IFADLO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]32)N=C1C ZINC001164869504 721227217 /nfs/dbraw/zinc/22/72/17/721227217.db2.gz CPNLIFNZQUZGFO-LIXHSBQKSA-N 1 2 444.583 2.900 20 0 IFADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912336 721550042 /nfs/dbraw/zinc/55/00/42/721550042.db2.gz YWHBCIMVSOMCCX-HOCLYGCPSA-N 1 2 425.913 2.620 20 0 IFADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912336 721550043 /nfs/dbraw/zinc/55/00/43/721550043.db2.gz YWHBCIMVSOMCCX-HOCLYGCPSA-N 1 2 425.913 2.620 20 0 IFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)C2 ZINC001165010707 721697557 /nfs/dbraw/zinc/69/75/57/721697557.db2.gz WULHPKMRZUXLHI-UHFFFAOYSA-N 1 2 428.919 2.583 20 0 IFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)C2 ZINC001165010707 721697564 /nfs/dbraw/zinc/69/75/64/721697564.db2.gz WULHPKMRZUXLHI-UHFFFAOYSA-N 1 2 428.919 2.583 20 0 IFADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011682 721702188 /nfs/dbraw/zinc/70/21/88/721702188.db2.gz VVNNVTWPBSEZEC-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011682 721702195 /nfs/dbraw/zinc/70/21/95/721702195.db2.gz VVNNVTWPBSEZEC-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)C2 ZINC001165010079 721714513 /nfs/dbraw/zinc/71/45/13/721714513.db2.gz ZAQLRGHOXDDOTC-UHFFFAOYSA-N 1 2 425.581 2.796 20 0 IFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)C2 ZINC001165010079 721714520 /nfs/dbraw/zinc/71/45/20/721714520.db2.gz ZAQLRGHOXDDOTC-UHFFFAOYSA-N 1 2 425.581 2.796 20 0 IFADLO c1ccc(Oc2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164912903 721773377 /nfs/dbraw/zinc/77/33/77/721773377.db2.gz ROVRYHQKFNBCNS-DEOSSOPVSA-N 1 2 433.512 2.772 20 0 IFADLO c1ccc(Oc2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164912903 721773378 /nfs/dbraw/zinc/77/33/78/721773378.db2.gz ROVRYHQKFNBCNS-DEOSSOPVSA-N 1 2 433.512 2.772 20 0 IFADLO Clc1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912997 721777719 /nfs/dbraw/zinc/77/77/19/721777719.db2.gz STOHLHXXBKQOIB-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1nc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912997 721777725 /nfs/dbraw/zinc/77/77/25/721777725.db2.gz STOHLHXXBKQOIB-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO CC(C)(C)OC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164917478 721782431 /nfs/dbraw/zinc/78/24/31/721782431.db2.gz XITZHJQFVHYDMT-DEOSSOPVSA-N 1 2 440.544 2.540 20 0 IFADLO CC(C)(C)OC(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164917478 721782432 /nfs/dbraw/zinc/78/24/32/721782432.db2.gz XITZHJQFVHYDMT-DEOSSOPVSA-N 1 2 440.544 2.540 20 0 IFADLO CCCN(CCC)c1cncc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915971 721790105 /nfs/dbraw/zinc/79/01/05/721790105.db2.gz MRFBSYNHOFBVMO-DEOSSOPVSA-N 1 2 440.592 2.606 20 0 IFADLO CCCN(CCC)c1cncc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915971 721790108 /nfs/dbraw/zinc/79/01/08/721790108.db2.gz MRFBSYNHOFBVMO-DEOSSOPVSA-N 1 2 440.592 2.606 20 0 IFADLO COc1ccc(-c2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164914988 721795949 /nfs/dbraw/zinc/79/59/49/721795949.db2.gz SPPBRUZJQCHIHC-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO COc1ccc(-c2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164914988 721795954 /nfs/dbraw/zinc/79/59/54/721795954.db2.gz SPPBRUZJQCHIHC-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO CCc1nc(Cl)c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164915295 721796060 /nfs/dbraw/zinc/79/60/60/721796060.db2.gz VSNZAJKHDXRLBX-HXUWFJFHSA-N 1 2 438.359 2.849 20 0 IFADLO CCc1nc(Cl)c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164915295 721796062 /nfs/dbraw/zinc/79/60/62/721796062.db2.gz VSNZAJKHDXRLBX-HXUWFJFHSA-N 1 2 438.359 2.849 20 0 IFADLO Fc1cc2ncc(Cl)nc2cc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915606 721797117 /nfs/dbraw/zinc/79/71/17/721797117.db2.gz WZNIBNGORIHUDI-QFIPXVFZSA-N 1 2 443.910 2.925 20 0 IFADLO Fc1cc2ncc(Cl)nc2cc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915606 721797120 /nfs/dbraw/zinc/79/71/20/721797120.db2.gz WZNIBNGORIHUDI-QFIPXVFZSA-N 1 2 443.910 2.925 20 0 IFADLO Cc1nc(-c2ccncc2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164913377 721797468 /nfs/dbraw/zinc/79/74/68/721797468.db2.gz COPUBUDKHFYMMZ-VWLOTQADSA-N 1 2 446.555 2.658 20 0 IFADLO Cc1nc(-c2ccncc2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164913377 721797473 /nfs/dbraw/zinc/79/74/73/721797473.db2.gz COPUBUDKHFYMMZ-VWLOTQADSA-N 1 2 446.555 2.658 20 0 IFADLO COC(=O)c1cccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc21 ZINC001164914935 721797714 /nfs/dbraw/zinc/79/77/14/721797714.db2.gz RHLIHYPBPRHENO-VWLOTQADSA-N 1 2 448.523 2.524 20 0 IFADLO COC(=O)c1cccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc21 ZINC001164914935 721797716 /nfs/dbraw/zinc/79/77/16/721797716.db2.gz RHLIHYPBPRHENO-VWLOTQADSA-N 1 2 448.523 2.524 20 0 IFADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCO3)C2)c1 ZINC001164913244 721799398 /nfs/dbraw/zinc/79/93/98/721799398.db2.gz BULSSCCZHUFAHS-DEOSSOPVSA-N 1 2 448.527 2.512 20 0 IFADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCO3)C2)c1 ZINC001164913244 721799402 /nfs/dbraw/zinc/79/94/02/721799402.db2.gz BULSSCCZHUFAHS-DEOSSOPVSA-N 1 2 448.527 2.512 20 0 IFADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cncc(OCC5CCCC5)n4)CCO3)C2)c1 ZINC001164914339 721800316 /nfs/dbraw/zinc/80/03/16/721800316.db2.gz MACPTFZBCYFLMK-XMMPIXPASA-N 1 2 439.560 2.548 20 0 IFADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cncc(OCC5CCCC5)n4)CCO3)C2)c1 ZINC001164914339 721800318 /nfs/dbraw/zinc/80/03/18/721800318.db2.gz MACPTFZBCYFLMK-XMMPIXPASA-N 1 2 439.560 2.548 20 0 IFADLO Fc1ccc(-c2cncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914287 721800577 /nfs/dbraw/zinc/80/05/77/721800577.db2.gz LGCPYUBTXLDTEU-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO Fc1ccc(-c2cncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914287 721800579 /nfs/dbraw/zinc/80/05/79/721800579.db2.gz LGCPYUBTXLDTEU-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO Cc1nc(CN2CCOC[C@@]3(CN(c4cc(C)[nH+]c(C(C)(C)C)n4)CCO3)C2)cs1 ZINC001164925119 721832824 /nfs/dbraw/zinc/83/28/24/721832824.db2.gz YCAGXLNGBHPBHU-QFIPXVFZSA-N 1 2 431.606 2.955 20 0 IFADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165040129 721907317 /nfs/dbraw/zinc/90/73/17/721907317.db2.gz ZDMLXPHNADVNTL-CQSZACIVSA-N 1 2 430.883 2.543 20 0 IFADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(-c2ccncc2)n1 ZINC001164947014 721978427 /nfs/dbraw/zinc/97/84/27/721978427.db2.gz NFHHMQCSRMMHTL-UHFFFAOYSA-N 1 2 428.540 2.818 20 0 IFADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(-c2ccncc2)n1 ZINC001164947014 721978428 /nfs/dbraw/zinc/97/84/28/721978428.db2.gz NFHHMQCSRMMHTL-UHFFFAOYSA-N 1 2 428.540 2.818 20 0 IFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164949818 721980821 /nfs/dbraw/zinc/98/08/21/721980821.db2.gz QLHXAACGWRMFLG-UHFFFAOYSA-N 1 2 444.539 2.980 20 0 IFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(-c3nc(C4CC4)no3)ccn1)CC2 ZINC001164949818 721980825 /nfs/dbraw/zinc/98/08/25/721980825.db2.gz QLHXAACGWRMFLG-UHFFFAOYSA-N 1 2 444.539 2.980 20 0 IFADLO C[C@@H]1CCCN(c2nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n2)[C@H]1C ZINC001165051047 721998182 /nfs/dbraw/zinc/99/81/82/721998182.db2.gz CSNYDSMGXGJRLB-MSOLQXFVSA-N 1 2 444.649 2.900 20 0 IFADLO Cc1noc(C[C@@H]2C[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164957365 722040722 /nfs/dbraw/zinc/04/07/22/722040722.db2.gz BIUJETZGHZDGOG-CNNODRBYSA-N 1 2 432.528 2.563 20 0 IFADLO Cc1noc(C[C@@H]2C[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164957365 722040724 /nfs/dbraw/zinc/04/07/24/722040724.db2.gz BIUJETZGHZDGOG-CNNODRBYSA-N 1 2 432.528 2.563 20 0 IFADLO O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164963736 722064050 /nfs/dbraw/zinc/06/40/50/722064050.db2.gz COIZDOLVEJTRBK-VXKWHMMOSA-N 1 2 446.580 2.985 20 0 IFADLO O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164963736 722064053 /nfs/dbraw/zinc/06/40/53/722064053.db2.gz COIZDOLVEJTRBK-VXKWHMMOSA-N 1 2 446.580 2.985 20 0 IFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCSCC5)nc[nH+]4)CC[C@H]32)cs1 ZINC001164989674 722185996 /nfs/dbraw/zinc/18/59/96/722185996.db2.gz PNKYKZICEKVRTE-RTBURBONSA-N 1 2 446.646 2.665 20 0 IFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]32)cs1 ZINC001164989674 722185997 /nfs/dbraw/zinc/18/59/97/722185997.db2.gz PNKYKZICEKVRTE-RTBURBONSA-N 1 2 446.646 2.665 20 0 IFADLO O=C(c1cccnc1N1C[C@@H]2OCC(F)(F)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164424148 718926738 /nfs/dbraw/zinc/92/67/38/718926738.db2.gz LZTAEDFVYUZAHA-PMACEKPBSA-N 1 2 428.483 2.510 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc(C4CCCCC4)n3)CC2)C1=O ZINC001164644072 719284426 /nfs/dbraw/zinc/28/44/26/719284426.db2.gz BJBUXHMWCXONHS-UHFFFAOYSA-N 1 2 436.000 2.937 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc(C4CCCCC4)n3)CC2)C1=O ZINC001164644072 719284427 /nfs/dbraw/zinc/28/44/27/719284427.db2.gz BJBUXHMWCXONHS-UHFFFAOYSA-N 1 2 436.000 2.937 20 0 IFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1C(=O)OC)CC2 ZINC001164663385 719347026 /nfs/dbraw/zinc/34/70/26/719347026.db2.gz FRJONOLICKDJJC-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1C(=O)OC)CC2 ZINC001164663385 719347027 /nfs/dbraw/zinc/34/70/27/719347027.db2.gz FRJONOLICKDJJC-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164668510 719493996 /nfs/dbraw/zinc/49/39/96/719493996.db2.gz QDZMLXSDYAXQGH-UHFFFAOYSA-N 1 2 434.899 2.927 20 0 IFADLO COC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164668510 719494011 /nfs/dbraw/zinc/49/40/11/719494011.db2.gz QDZMLXSDYAXQGH-UHFFFAOYSA-N 1 2 434.899 2.927 20 0 IFADLO COC(=O)c1cc(OC)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673221 719502813 /nfs/dbraw/zinc/50/28/13/719502813.db2.gz PYBDEQZMYBLVCL-UHFFFAOYSA-N 1 2 429.492 2.887 20 0 IFADLO COC(=O)c1cc(OC)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673221 719502824 /nfs/dbraw/zinc/50/28/24/719502824.db2.gz PYBDEQZMYBLVCL-UHFFFAOYSA-N 1 2 429.492 2.887 20 0 IFADLO CON(C)C(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164671758 719517804 /nfs/dbraw/zinc/51/78/04/719517804.db2.gz JOCMCFAGGUSCPP-UHFFFAOYSA-N 1 2 428.508 2.726 20 0 IFADLO CON(C)C(=O)c1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164671758 719517816 /nfs/dbraw/zinc/51/78/16/719517816.db2.gz JOCMCFAGGUSCPP-UHFFFAOYSA-N 1 2 428.508 2.726 20 0 IFADLO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164677050 719532318 /nfs/dbraw/zinc/53/23/18/719532318.db2.gz BAVJRZBWAHNHCA-UHFFFAOYSA-N 1 2 447.942 2.890 20 0 IFADLO CCNC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164677050 719532329 /nfs/dbraw/zinc/53/23/29/719532329.db2.gz BAVJRZBWAHNHCA-UHFFFAOYSA-N 1 2 447.942 2.890 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccnc1C1SCCCS1 ZINC001164703350 719848568 /nfs/dbraw/zinc/84/85/68/719848568.db2.gz QSQZLGHJQRYCRU-YWZLYKJASA-N 1 2 438.619 2.578 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001164708452 719865928 /nfs/dbraw/zinc/86/59/28/719865928.db2.gz ZGJBFPVWAUCCRU-VGOFRKELSA-N 1 2 434.537 2.661 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1OCc1ccccc1 ZINC001164707990 719867513 /nfs/dbraw/zinc/86/75/13/719867513.db2.gz XCNKWUBMRIQSRW-GBXCKJPGSA-N 1 2 425.529 2.893 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(OCc2ccccc2)n1 ZINC001164707382 719875617 /nfs/dbraw/zinc/87/56/17/719875617.db2.gz RXNCXEKUPKALGM-YKSBVNFPSA-N 1 2 440.544 2.597 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC001164717874 720214964 /nfs/dbraw/zinc/21/49/64/720214964.db2.gz KFNGHMYSEGVTQA-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC001164717874 720214973 /nfs/dbraw/zinc/21/49/73/720214973.db2.gz KFNGHMYSEGVTQA-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)C1 ZINC001164717912 720218984 /nfs/dbraw/zinc/21/89/84/720218984.db2.gz KZLMXBSUCNLTPG-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)C1 ZINC001164717912 720218986 /nfs/dbraw/zinc/21/89/86/720218986.db2.gz KZLMXBSUCNLTPG-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4cc(C)c(C)cc4nc3Cl)C2)C1 ZINC001164719009 720265278 /nfs/dbraw/zinc/26/52/78/720265278.db2.gz KAPRMTXCUAYVJW-QFIPXVFZSA-N 1 2 431.968 2.565 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4cc(C)c(C)cc4nc3Cl)C2)C1 ZINC001164719009 720265293 /nfs/dbraw/zinc/26/52/93/720265293.db2.gz KAPRMTXCUAYVJW-QFIPXVFZSA-N 1 2 431.968 2.565 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(Sc4cccc(C)c4)n3)C2)C1 ZINC001164721570 720276104 /nfs/dbraw/zinc/27/61/04/720276104.db2.gz LGCYRFHUNBGPLB-HSZRJFAPSA-N 1 2 441.601 2.601 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(Sc4cccc(C)c4)n3)C2)C1 ZINC001164721570 720276113 /nfs/dbraw/zinc/27/61/13/720276113.db2.gz LGCYRFHUNBGPLB-HSZRJFAPSA-N 1 2 441.601 2.601 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4c(Cl)cccc4nc3Cl)C2)C1 ZINC001164723278 720302804 /nfs/dbraw/zinc/30/28/04/720302804.db2.gz MZOOUHJAXVBLPS-HXUWFJFHSA-N 1 2 438.359 2.601 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4c(Cl)cccc4nc3Cl)C2)C1 ZINC001164723278 720302808 /nfs/dbraw/zinc/30/28/08/720302808.db2.gz MZOOUHJAXVBLPS-HXUWFJFHSA-N 1 2 438.359 2.601 20 0 IFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COc1cncc(Cl)n1 ZINC001164721109 720316531 /nfs/dbraw/zinc/31/65/31/720316531.db2.gz FEMCTQXYQMPDRC-AWEZNQCLSA-N 1 2 428.871 2.615 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5cc(F)ccc54)CC3)C2=O)cs1 ZINC001164823075 720361363 /nfs/dbraw/zinc/36/13/63/720361363.db2.gz ACCYRJWTVKYTGZ-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5cc(F)ccc54)CC3)C2=O)cs1 ZINC001164823075 720361371 /nfs/dbraw/zinc/36/13/71/720361371.db2.gz ACCYRJWTVKYTGZ-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)c(C)nc4Cl)CC3)C2=O)cs1 ZINC001164819311 720371812 /nfs/dbraw/zinc/37/18/12/720371812.db2.gz BVOQPNKOUGMGKQ-UHFFFAOYSA-N 1 2 434.997 2.825 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)c(C)nc4Cl)CC3)C2=O)cs1 ZINC001164819311 720371820 /nfs/dbraw/zinc/37/18/20/720371820.db2.gz BVOQPNKOUGMGKQ-UHFFFAOYSA-N 1 2 434.997 2.825 20 0 IFADLO COc1ccc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164819713 720372892 /nfs/dbraw/zinc/37/28/92/720372892.db2.gz GXBUKKMWZGIWPI-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO COc1ccc(Cl)nc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164819713 720372894 /nfs/dbraw/zinc/37/28/94/720372894.db2.gz GXBUKKMWZGIWPI-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(CC(C)C)ncn4)CC3)C2=O)cs1 ZINC001164819968 720380848 /nfs/dbraw/zinc/38/08/48/720380848.db2.gz JZLNVONEGCMZHV-UHFFFAOYSA-N 1 2 428.606 2.753 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(CC(C)C)ncn4)CC3)C2=O)cs1 ZINC001164819968 720380855 /nfs/dbraw/zinc/38/08/55/720380855.db2.gz JZLNVONEGCMZHV-UHFFFAOYSA-N 1 2 428.606 2.753 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C5CCC5)ncn4)CC3)C2=O)cs1 ZINC001164822970 720382521 /nfs/dbraw/zinc/38/25/21/720382521.db2.gz OCTXFUUWQTUWQC-UHFFFAOYSA-N 1 2 426.590 2.822 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C5CCC5)ncn4)CC3)C2=O)cs1 ZINC001164822970 720382529 /nfs/dbraw/zinc/38/25/29/720382529.db2.gz OCTXFUUWQTUWQC-UHFFFAOYSA-N 1 2 426.590 2.822 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccccc3)ccn1)C2 ZINC001164822693 720441520 /nfs/dbraw/zinc/44/15/20/720441520.db2.gz GJIWOZHTCXSVRO-JOCHJYFZSA-N 1 2 433.556 2.935 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1csc3ncnc(Cl)c13)C2 ZINC001164824650 720446274 /nfs/dbraw/zinc/44/62/74/720446274.db2.gz OREZFEBQWDOCEB-CQSZACIVSA-N 1 2 448.980 2.531 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3ccc(F)cc3n1)C2 ZINC001164829543 720472072 /nfs/dbraw/zinc/47/20/72/720472072.db2.gz GBLBMYOPRLMEIM-GOSISDBHSA-N 1 2 425.508 2.560 20 0 IFADLO NC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1Cl ZINC001164756448 720971889 /nfs/dbraw/zinc/97/18/89/720971889.db2.gz IKXFBGLYIHAAOA-ZDUSSCGKSA-N 1 2 425.867 2.638 20 0 IFADLO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]32)N=C1C ZINC001164869511 721226817 /nfs/dbraw/zinc/22/68/17/721226817.db2.gz CPNLIFNZQUZGFO-RQNQAMLKSA-N 1 2 444.583 2.900 20 0 IFADLO CCN1C(=O)[C@]2(CC[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]32)N=C1C ZINC001164869511 721226820 /nfs/dbraw/zinc/22/68/20/721226820.db2.gz CPNLIFNZQUZGFO-RQNQAMLKSA-N 1 2 444.583 2.900 20 0 IFADLO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164885239 721340385 /nfs/dbraw/zinc/34/03/85/721340385.db2.gz PFPDCRNNTKIURG-ZEQKJWHPSA-N 1 2 447.583 2.547 20 0 IFADLO O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164885239 721340390 /nfs/dbraw/zinc/34/03/90/721340390.db2.gz PFPDCRNNTKIURG-ZEQKJWHPSA-N 1 2 447.583 2.547 20 0 IFADLO O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164885234 721340421 /nfs/dbraw/zinc/34/04/21/721340421.db2.gz PFPDCRNNTKIURG-JYFHCDHNSA-N 1 2 447.583 2.547 20 0 IFADLO O=C(NCC1CC1)[C@@]12CCO[C@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164885234 721340423 /nfs/dbraw/zinc/34/04/23/721340423.db2.gz PFPDCRNNTKIURG-JYFHCDHNSA-N 1 2 447.583 2.547 20 0 IFADLO O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164885237 721340573 /nfs/dbraw/zinc/34/05/73/721340573.db2.gz PFPDCRNNTKIURG-OZXSUGGESA-N 1 2 447.583 2.547 20 0 IFADLO O=C(NCC1CC1)[C@]12CCO[C@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164885237 721340575 /nfs/dbraw/zinc/34/05/75/721340575.db2.gz PFPDCRNNTKIURG-OZXSUGGESA-N 1 2 447.583 2.547 20 0 IFADLO CCOC(=O)c1cnc(C(F)(F)N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164786518 721391053 /nfs/dbraw/zinc/39/10/53/721391053.db2.gz NWCBFORLYREYNJ-VXGBXAGGSA-N 1 2 443.907 2.876 20 0 IFADLO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2[nH]1 ZINC001164885267 721424556 /nfs/dbraw/zinc/42/45/56/721424556.db2.gz GLIBBGYJDOHNEI-DVECYGJZSA-N 1 2 441.576 2.505 20 0 IFADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912334 721550146 /nfs/dbraw/zinc/55/01/46/721550146.db2.gz YWHBCIMVSOMCCX-GOEBONIOSA-N 1 2 425.913 2.620 20 0 IFADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912334 721550151 /nfs/dbraw/zinc/55/01/51/721550151.db2.gz YWHBCIMVSOMCCX-GOEBONIOSA-N 1 2 425.913 2.620 20 0 IFADLO Cc1cc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)cc(Cl)n1 ZINC001165014152 721765348 /nfs/dbraw/zinc/76/53/48/721765348.db2.gz DRTUNHLWYJKJON-UHFFFAOYSA-N 1 2 449.893 2.511 20 0 IFADLO CC(C)(C)OC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164911966 721772602 /nfs/dbraw/zinc/77/26/02/721772602.db2.gz IVZSRIWASUAYIW-XMMPIXPASA-N 1 2 440.544 2.540 20 0 IFADLO CC(C)(C)OC(=O)c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164911966 721772604 /nfs/dbraw/zinc/77/26/04/721772604.db2.gz IVZSRIWASUAYIW-XMMPIXPASA-N 1 2 440.544 2.540 20 0 IFADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CCCC2 ZINC001164912688 721774409 /nfs/dbraw/zinc/77/44/09/721774409.db2.gz ONYSKDNTMUSVMX-JOCHJYFZSA-N 1 2 429.952 2.512 20 0 IFADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CCCC2 ZINC001164912688 721774414 /nfs/dbraw/zinc/77/44/14/721774414.db2.gz ONYSKDNTMUSVMX-JOCHJYFZSA-N 1 2 429.952 2.512 20 0 IFADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CCCC2 ZINC001164912690 721774636 /nfs/dbraw/zinc/77/46/36/721774636.db2.gz ONYSKDNTMUSVMX-QFIPXVFZSA-N 1 2 429.952 2.512 20 0 IFADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CCCC2 ZINC001164912690 721774641 /nfs/dbraw/zinc/77/46/41/721774641.db2.gz ONYSKDNTMUSVMX-QFIPXVFZSA-N 1 2 429.952 2.512 20 0 IFADLO COC(=O)c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912483 721780149 /nfs/dbraw/zinc/78/01/49/721780149.db2.gz MJQAJBHCTPKLLZ-VWLOTQADSA-N 1 2 448.523 2.524 20 0 IFADLO COC(=O)c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912483 721780151 /nfs/dbraw/zinc/78/01/51/721780151.db2.gz MJQAJBHCTPKLLZ-VWLOTQADSA-N 1 2 448.523 2.524 20 0 IFADLO Fc1ccc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164917648 721781220 /nfs/dbraw/zinc/78/12/20/721781220.db2.gz YQQOSGDBWRBFBL-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO Fc1ccc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164917648 721781225 /nfs/dbraw/zinc/78/12/25/721781225.db2.gz YQQOSGDBWRBFBL-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO c1ccc(COc2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164916059 721782546 /nfs/dbraw/zinc/78/25/46/721782546.db2.gz ONZSWPGMKHKKGF-VWLOTQADSA-N 1 2 447.539 2.558 20 0 IFADLO c1ccc(COc2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164916059 721782550 /nfs/dbraw/zinc/78/25/50/721782550.db2.gz ONZSWPGMKHKKGF-VWLOTQADSA-N 1 2 447.539 2.558 20 0 IFADLO CC(C)(C)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914903 721791894 /nfs/dbraw/zinc/79/18/94/721791894.db2.gz HJYFUDOUZBNBMB-QFIPXVFZSA-N 1 2 431.968 2.930 20 0 IFADLO CC(C)(C)c1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914903 721791898 /nfs/dbraw/zinc/79/18/98/721791898.db2.gz HJYFUDOUZBNBMB-QFIPXVFZSA-N 1 2 431.968 2.930 20 0 IFADLO COc1ccccc1-c1cc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164914962 721796211 /nfs/dbraw/zinc/79/62/11/721796211.db2.gz SEVHZOMJPJJMOJ-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO COc1ccccc1-c1cc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164914962 721796217 /nfs/dbraw/zinc/79/62/17/721796217.db2.gz SEVHZOMJPJJMOJ-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCO3)C2)c1 ZINC001164913245 721798850 /nfs/dbraw/zinc/79/88/50/721798850.db2.gz BULSSCCZHUFAHS-XMMPIXPASA-N 1 2 448.527 2.512 20 0 IFADLO c1cncc(C[N@H+]2CCOC[C@]3(CN(c4cc(-c5nc(C6CC6)no5)ccn4)CCO3)C2)c1 ZINC001164913245 721798852 /nfs/dbraw/zinc/79/88/52/721798852.db2.gz BULSSCCZHUFAHS-XMMPIXPASA-N 1 2 448.527 2.512 20 0 IFADLO Fc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1-c1ccsc1 ZINC001164915767 721800380 /nfs/dbraw/zinc/80/03/80/721800380.db2.gz ZQCPIXBPQRIJCZ-QFIPXVFZSA-N 1 2 441.532 2.847 20 0 IFADLO Fc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1-c1ccsc1 ZINC001164915767 721800382 /nfs/dbraw/zinc/80/03/82/721800382.db2.gz ZQCPIXBPQRIJCZ-QFIPXVFZSA-N 1 2 441.532 2.847 20 0 IFADLO CCc1nc(Cl)nc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164913227 721800423 /nfs/dbraw/zinc/80/04/23/721800423.db2.gz BLXPQFJVIGPLSU-HXUWFJFHSA-N 1 2 438.359 2.849 20 0 IFADLO CCc1nc(Cl)nc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164913227 721800424 /nfs/dbraw/zinc/80/04/24/721800424.db2.gz BLXPQFJVIGPLSU-HXUWFJFHSA-N 1 2 438.359 2.849 20 0 IFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC001165037640 721915194 /nfs/dbraw/zinc/91/51/94/721915194.db2.gz HQLRYCDQARWBCF-HXUWFJFHSA-N 1 2 446.573 2.582 20 0 IFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164946934 721971145 /nfs/dbraw/zinc/97/11/45/721971145.db2.gz ZRSWUPMPAPRQTQ-UHFFFAOYSA-N 1 2 425.964 2.980 20 0 IFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1CCCC3)CC2 ZINC001164946934 721971147 /nfs/dbraw/zinc/97/11/47/721971147.db2.gz ZRSWUPMPAPRQTQ-UHFFFAOYSA-N 1 2 425.964 2.980 20 0 IFADLO CC1(C)OCc2c1nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944550 721972057 /nfs/dbraw/zinc/97/20/57/721972057.db2.gz KNAHQWWERCMBPC-UHFFFAOYSA-N 1 2 441.963 2.866 20 0 IFADLO CC1(C)OCc2c1nc(Cl)nc2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944550 721972059 /nfs/dbraw/zinc/97/20/59/721972059.db2.gz KNAHQWWERCMBPC-UHFFFAOYSA-N 1 2 441.963 2.866 20 0 IFADLO O=C(c1cccnc1N1C[C@H]2OCC(F)(F)[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164424150 718925621 /nfs/dbraw/zinc/92/56/21/718925621.db2.gz LZTAEDFVYUZAHA-VQTJNVASSA-N 1 2 428.483 2.510 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4cc(C)c(C)cc4nc3Cl)CC2)C1=O ZINC001164639995 719277009 /nfs/dbraw/zinc/27/70/09/719277009.db2.gz MIVUIGRANWLQFM-UHFFFAOYSA-N 1 2 431.968 2.659 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4cc(C)c(C)cc4nc3Cl)CC2)C1=O ZINC001164639995 719277011 /nfs/dbraw/zinc/27/70/11/719277011.db2.gz MIVUIGRANWLQFM-UHFFFAOYSA-N 1 2 431.968 2.659 20 0 IFADLO O=C1CCCN1[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@H]12 ZINC001164651000 719302898 /nfs/dbraw/zinc/30/28/98/719302898.db2.gz KHKUKVKDEGNNOR-ZWSUVBHBSA-N 1 2 447.583 2.641 20 0 IFADLO O=C1CCCN1[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@H]12 ZINC001164651000 719302899 /nfs/dbraw/zinc/30/28/99/719302899.db2.gz KHKUKVKDEGNNOR-ZWSUVBHBSA-N 1 2 447.583 2.641 20 0 IFADLO COC(=O)c1cnc(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164667390 719494110 /nfs/dbraw/zinc/49/41/10/719494110.db2.gz LDBRTFRMHNJTJX-UHFFFAOYSA-N 1 2 434.899 2.927 20 0 IFADLO COC(=O)c1cnc(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164667390 719494122 /nfs/dbraw/zinc/49/41/22/719494122.db2.gz LDBRTFRMHNJTJX-UHFFFAOYSA-N 1 2 434.899 2.927 20 0 IFADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1C ZINC001164673853 719505650 /nfs/dbraw/zinc/50/56/50/719505650.db2.gz SIVLCIPFIDYQPF-UHFFFAOYSA-N 1 2 428.508 2.972 20 0 IFADLO CCOC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1C ZINC001164673853 719505656 /nfs/dbraw/zinc/50/56/56/719505656.db2.gz SIVLCIPFIDYQPF-UHFFFAOYSA-N 1 2 428.508 2.972 20 0 IFADLO COC(OC)c1c(CO)ccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674052 719517188 /nfs/dbraw/zinc/51/71/88/719517188.db2.gz ZFQUATIWSDPABK-UHFFFAOYSA-N 1 2 445.535 2.876 20 0 IFADLO COC(OC)c1c(CO)ccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674052 719517199 /nfs/dbraw/zinc/51/71/99/719517199.db2.gz ZFQUATIWSDPABK-UHFFFAOYSA-N 1 2 445.535 2.876 20 0 IFADLO CN1CCOc2c(Cl)nnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c21 ZINC001164671529 719520349 /nfs/dbraw/zinc/52/03/49/719520349.db2.gz FMXAUJJZWFIGQK-UHFFFAOYSA-N 1 2 447.942 2.969 20 0 IFADLO CN1CCOc2c(Cl)nnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c21 ZINC001164671529 719520353 /nfs/dbraw/zinc/52/03/53/719520353.db2.gz FMXAUJJZWFIGQK-UHFFFAOYSA-N 1 2 447.942 2.969 20 0 IFADLO COC(=O)c1nc(Cl)cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164679295 719529059 /nfs/dbraw/zinc/52/90/59/719529059.db2.gz XDBSANMQGXTQEM-UHFFFAOYSA-N 1 2 434.899 2.927 20 0 IFADLO COC(=O)c1nc(Cl)cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164679295 719529065 /nfs/dbraw/zinc/52/90/65/719529065.db2.gz XDBSANMQGXTQEM-UHFFFAOYSA-N 1 2 434.899 2.927 20 0 IFADLO CCOC(=O)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc2ccccc21 ZINC001164705566 719853313 /nfs/dbraw/zinc/85/33/13/719853313.db2.gz UGOJTYBTSGUKSY-MZNJEOGPSA-N 1 2 441.528 2.644 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1c[nH]c2nc(Cl)ccc21 ZINC001164703577 719854742 /nfs/dbraw/zinc/85/47/42/719854742.db2.gz QFFAKOAVYLTACQ-BFUOFWGJSA-N 1 2 442.894 2.994 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(Oc2cccc(OC)c2)n1 ZINC001164700107 719862069 /nfs/dbraw/zinc/86/20/69/719862069.db2.gz GLEOFILPSMNADA-GAJHUEQPSA-N 1 2 442.516 2.510 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(Oc2ccc(F)cc2)n1 ZINC001164708424 719871731 /nfs/dbraw/zinc/87/17/31/719871731.db2.gz ZDLVFDMLZYKZSL-VGOFRKELSA-N 1 2 430.480 2.641 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2c(F)cccc2F)nn1 ZINC001164707809 719872434 /nfs/dbraw/zinc/87/24/34/719872434.db2.gz VPJQRMMOFNESJV-OYHNWAKOSA-N 1 2 432.471 2.655 20 0 IFADLO CCN(c1ccccc1)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)ncn1 ZINC001164702309 719874347 /nfs/dbraw/zinc/87/43/47/719874347.db2.gz IEMKRWUMVACWMW-HYBUGGRVSA-N 1 2 439.560 2.867 20 0 IFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164704818 720047131 /nfs/dbraw/zinc/04/71/31/720047131.db2.gz STCVQQVEAQHHDR-UHFFFAOYSA-N 1 2 442.926 2.711 20 0 IFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164710673 720049439 /nfs/dbraw/zinc/04/94/39/720049439.db2.gz GAOATVJCTOTWNO-UHFFFAOYSA-N 1 2 442.926 2.711 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)C1 ZINC001164718523 720217774 /nfs/dbraw/zinc/21/77/74/720217774.db2.gz MVZQEQBNZSEBLQ-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)C1 ZINC001164718523 720217779 /nfs/dbraw/zinc/21/77/79/720217779.db2.gz MVZQEQBNZSEBLQ-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4c(-c4ccccc4)n3)C2)C1 ZINC001164719820 720244071 /nfs/dbraw/zinc/24/40/71/720244071.db2.gz PGPIVRHQBMVXFG-AREMUKBSSA-N 1 2 445.567 2.962 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4c(-c4ccccc4)n3)C2)C1 ZINC001164719820 720244076 /nfs/dbraw/zinc/24/40/76/720244076.db2.gz PGPIVRHQBMVXFG-AREMUKBSSA-N 1 2 445.567 2.962 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4cc(C)c(C)cc4nc3Cl)C2)C1 ZINC001164719006 720264616 /nfs/dbraw/zinc/26/46/16/720264616.db2.gz KAPRMTXCUAYVJW-JOCHJYFZSA-N 1 2 431.968 2.565 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4cc(C)c(C)cc4nc3Cl)C2)C1 ZINC001164719006 720264625 /nfs/dbraw/zinc/26/46/25/720264625.db2.gz KAPRMTXCUAYVJW-JOCHJYFZSA-N 1 2 431.968 2.565 20 0 IFADLO COc1nc(Cl)ncc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@H]1CNC(C)=O ZINC001164723433 720314722 /nfs/dbraw/zinc/31/47/22/720314722.db2.gz OUDAIWTVJHDWNN-CQSZACIVSA-N 1 2 428.871 2.701 20 0 IFADLO COc1cc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)nc(Cl)n1 ZINC001164720888 720317333 /nfs/dbraw/zinc/31/73/33/720317333.db2.gz BWSZPFOXOWQABD-ZDUSSCGKSA-N 1 2 428.871 2.701 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)cnc4Cl)CC3)C2=O)cs1 ZINC001164823285 720367776 /nfs/dbraw/zinc/36/77/76/720367776.db2.gz DFNDNWRIDYTKAC-UHFFFAOYSA-N 1 2 441.388 2.862 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)cnc4Cl)CC3)C2=O)cs1 ZINC001164823285 720367781 /nfs/dbraw/zinc/36/77/81/720367781.db2.gz DFNDNWRIDYTKAC-UHFFFAOYSA-N 1 2 441.388 2.862 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)c(F)cc4N)CC3)C2=O)cs1 ZINC001164820537 720376225 /nfs/dbraw/zinc/37/62/25/720376225.db2.gz PNSHBTPYDPTXPA-UHFFFAOYSA-N 1 2 438.960 2.534 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)c(F)cc4N)CC3)C2=O)cs1 ZINC001164820537 720376230 /nfs/dbraw/zinc/37/62/30/720376230.db2.gz PNSHBTPYDPTXPA-UHFFFAOYSA-N 1 2 438.960 2.534 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5ncsc54)CC3)C2=O)cs1 ZINC001164819686 720376250 /nfs/dbraw/zinc/37/62/50/720376250.db2.gz FVKLQSNYGURUPL-UHFFFAOYSA-N 1 2 428.587 2.769 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5ncsc54)CC3)C2=O)cs1 ZINC001164819686 720376254 /nfs/dbraw/zinc/37/62/54/720376254.db2.gz FVKLQSNYGURUPL-UHFFFAOYSA-N 1 2 428.587 2.769 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc3c(F)cccc31)C2 ZINC001164831294 720457474 /nfs/dbraw/zinc/45/74/74/720457474.db2.gz OGZWKLSCMDJAAI-KRWDZBQOSA-N 1 2 425.508 2.560 20 0 IFADLO Cc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164831743 720469989 /nfs/dbraw/zinc/46/99/89/720469989.db2.gz PFKNIMZZHIUPGS-NRFANRHFSA-N 1 2 448.571 2.638 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3ccc(F)cc3n1)C2 ZINC001164829544 720472044 /nfs/dbraw/zinc/47/20/44/720472044.db2.gz GBLBMYOPRLMEIM-SFHVURJKSA-N 1 2 425.508 2.560 20 0 IFADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H](OCc5cccnc5)[C@@H]5COC[C@@H]54)c3C2)cc1 ZINC001164756756 721003216 /nfs/dbraw/zinc/00/32/16/721003216.db2.gz KMYRLSLFTDSSHL-VJTSUQJLSA-N 1 2 443.551 2.850 20 0 IFADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H](OCc5cccnc5)[C@@H]5COC[C@@H]54)c3C2)cc1 ZINC001164756756 721003224 /nfs/dbraw/zinc/00/32/24/721003224.db2.gz KMYRLSLFTDSSHL-VJTSUQJLSA-N 1 2 443.551 2.850 20 0 IFADLO COc1nnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164769078 721276597 /nfs/dbraw/zinc/27/65/97/721276597.db2.gz ODRVRWWFSNPZQA-CYBMUJFWSA-N 1 2 436.850 2.990 20 0 IFADLO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1Cl ZINC001164786509 721391647 /nfs/dbraw/zinc/39/16/47/721391647.db2.gz NWCBFORLYREYNJ-RYUDHWBXSA-N 1 2 443.907 2.876 20 0 IFADLO COC(=O)C[C@H](c1ccnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1)C1CC1 ZINC001165008904 721713237 /nfs/dbraw/zinc/71/32/37/721713237.db2.gz KRJULXFQGUVLEJ-IBGZPJMESA-N 1 2 426.565 2.980 20 0 IFADLO COC(=O)C[C@H](c1ccnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1)C1CC1 ZINC001165008904 721713243 /nfs/dbraw/zinc/71/32/43/721713243.db2.gz KRJULXFQGUVLEJ-IBGZPJMESA-N 1 2 426.565 2.980 20 0 IFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)N1CCC(C)CC1)C2 ZINC001165008157 721713999 /nfs/dbraw/zinc/71/39/99/721713999.db2.gz BPESSPYVDFSETO-UHFFFAOYSA-N 1 2 425.581 2.796 20 0 IFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)N1CCC(C)CC1)C2 ZINC001165008157 721714001 /nfs/dbraw/zinc/71/40/01/721714001.db2.gz BPESSPYVDFSETO-UHFFFAOYSA-N 1 2 425.581 2.796 20 0 IFADLO c1ccc(Oc2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910370 721775207 /nfs/dbraw/zinc/77/52/07/721775207.db2.gz BHNCGYWEZAYNSV-XMMPIXPASA-N 1 2 433.512 2.772 20 0 IFADLO c1ccc(Oc2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910370 721775209 /nfs/dbraw/zinc/77/52/09/721775209.db2.gz BHNCGYWEZAYNSV-XMMPIXPASA-N 1 2 433.512 2.772 20 0 IFADLO c1ccc(Oc2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910367 721775549 /nfs/dbraw/zinc/77/55/49/721775549.db2.gz BHNCGYWEZAYNSV-DEOSSOPVSA-N 1 2 433.512 2.772 20 0 IFADLO c1ccc(Oc2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910367 721775555 /nfs/dbraw/zinc/77/55/55/721775555.db2.gz BHNCGYWEZAYNSV-DEOSSOPVSA-N 1 2 433.512 2.772 20 0 IFADLO O=C1[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2CN1c1cccnc1 ZINC001165017700 721789574 /nfs/dbraw/zinc/78/95/74/721789574.db2.gz HCDSBEDPENOPRP-PZJWPPBQSA-N 1 2 426.524 2.529 20 0 IFADLO O=C1[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2CN1c1cccnc1 ZINC001165017700 721789579 /nfs/dbraw/zinc/78/95/79/721789579.db2.gz HCDSBEDPENOPRP-PZJWPPBQSA-N 1 2 426.524 2.529 20 0 IFADLO c1ccc(COc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cn2)cc1 ZINC001164914615 721791143 /nfs/dbraw/zinc/79/11/43/721791143.db2.gz FJJLDLIFPXEGMY-RUZDIDTESA-N 1 2 447.539 2.558 20 0 IFADLO c1ccc(COc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cn2)cc1 ZINC001164914615 721791144 /nfs/dbraw/zinc/79/11/44/721791144.db2.gz FJJLDLIFPXEGMY-RUZDIDTESA-N 1 2 447.539 2.558 20 0 IFADLO COc1ccccc1-c1cc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ncn1 ZINC001164914963 721796512 /nfs/dbraw/zinc/79/65/12/721796512.db2.gz SEVHZOMJPJJMOJ-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO COc1ccccc1-c1cc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ncn1 ZINC001164914963 721796514 /nfs/dbraw/zinc/79/65/14/721796514.db2.gz SEVHZOMJPJJMOJ-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164942501 721968577 /nfs/dbraw/zinc/96/85/77/721968577.db2.gz CHOJNOFZNXKUFI-UHFFFAOYSA-N 1 2 442.947 2.883 20 0 IFADLO CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164942501 721968580 /nfs/dbraw/zinc/96/85/80/721968580.db2.gz CHOJNOFZNXKUFI-UHFFFAOYSA-N 1 2 442.947 2.883 20 0 IFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164943762 721972124 /nfs/dbraw/zinc/97/21/24/721972124.db2.gz DPSUMWFAERYXNX-UHFFFAOYSA-N 1 2 429.977 2.848 20 0 IFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1CSC3)CC2 ZINC001164943762 721972126 /nfs/dbraw/zinc/97/21/26/721972126.db2.gz DPSUMWFAERYXNX-UHFFFAOYSA-N 1 2 429.977 2.848 20 0 IFADLO COc1nc(-c2ccccc2)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164945143 721975594 /nfs/dbraw/zinc/97/55/94/721975594.db2.gz DQZONBQPHFNHND-UHFFFAOYSA-N 1 2 444.539 2.518 20 0 IFADLO COc1nc(-c2ccccc2)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164945143 721975596 /nfs/dbraw/zinc/97/55/96/721975596.db2.gz DQZONBQPHFNHND-UHFFFAOYSA-N 1 2 444.539 2.518 20 0 IFADLO Cc1nc(-c2ccncc2)cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164946455 721979395 /nfs/dbraw/zinc/97/93/95/721979395.db2.gz GCXKAMWDZMMBOZ-UHFFFAOYSA-N 1 2 428.540 2.818 20 0 IFADLO Cc1nc(-c2ccncc2)cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164946455 721979397 /nfs/dbraw/zinc/97/93/97/721979397.db2.gz GCXKAMWDZMMBOZ-UHFFFAOYSA-N 1 2 428.540 2.818 20 0 IFADLO O=C(c1ccco1)N1CC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164960366 722046516 /nfs/dbraw/zinc/04/65/16/722046516.db2.gz VKNBGDRIFYJRGJ-KNQAVFIVSA-N 1 2 429.524 2.979 20 0 IFADLO O=C(c1ccco1)N1CC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164960366 722046520 /nfs/dbraw/zinc/04/65/20/722046520.db2.gz VKNBGDRIFYJRGJ-KNQAVFIVSA-N 1 2 429.524 2.979 20 0 IFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCSCC5)nc[nH+]4)CC[C@@H]32)cs1 ZINC001164989671 722185972 /nfs/dbraw/zinc/18/59/72/722185972.db2.gz PNKYKZICEKVRTE-RBUKOAKNSA-N 1 2 446.646 2.665 20 0 IFADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@@H]32)cs1 ZINC001164989671 722185973 /nfs/dbraw/zinc/18/59/73/722185973.db2.gz PNKYKZICEKVRTE-RBUKOAKNSA-N 1 2 446.646 2.665 20 0 IFADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCSCC5)nc[nH+]4)CC[C@@H]32)cs1 ZINC001164989670 722185999 /nfs/dbraw/zinc/18/59/99/722185999.db2.gz PNKYKZICEKVRTE-OALUTQOASA-N 1 2 446.646 2.665 20 0 IFADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@@H]32)cs1 ZINC001164989670 722186000 /nfs/dbraw/zinc/18/60/00/722186000.db2.gz PNKYKZICEKVRTE-OALUTQOASA-N 1 2 446.646 2.665 20 0 IFADLO C[C@H]1CCCN(c2cc(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)nc[nH+]2)C1 ZINC001165007758 722269339 /nfs/dbraw/zinc/26/93/39/722269339.db2.gz XUWRCNBESXCCCH-UUOWRZLLSA-N 1 2 438.551 2.780 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)C1=O ZINC001164642145 719279587 /nfs/dbraw/zinc/27/95/87/719279587.db2.gz XMHGLVQOXIUMFQ-UHFFFAOYSA-N 1 2 431.625 2.831 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)C1=O ZINC001164642145 719279588 /nfs/dbraw/zinc/27/95/88/719279588.db2.gz XMHGLVQOXIUMFQ-UHFFFAOYSA-N 1 2 431.625 2.831 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4ccc(Cl)nn4)ccc3F)CC2)C1=O ZINC001164644874 719282298 /nfs/dbraw/zinc/28/22/98/719282298.db2.gz VMZKZEDZNYITMC-UHFFFAOYSA-N 1 2 447.942 2.696 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4ccc(Cl)nn4)ccc3F)CC2)C1=O ZINC001164644874 719282301 /nfs/dbraw/zinc/28/23/01/719282301.db2.gz VMZKZEDZNYITMC-UHFFFAOYSA-N 1 2 447.942 2.696 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC2)C1=O ZINC001164644104 719285143 /nfs/dbraw/zinc/28/51/43/719285143.db2.gz CXOUHGIKYOSSMY-UHFFFAOYSA-N 1 2 442.938 2.614 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC2)C1=O ZINC001164644104 719285147 /nfs/dbraw/zinc/28/51/47/719285147.db2.gz CXOUHGIKYOSSMY-UHFFFAOYSA-N 1 2 442.938 2.614 20 0 IFADLO O=C1CCCN1[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@@H]21 ZINC001164650996 719302720 /nfs/dbraw/zinc/30/27/20/719302720.db2.gz KHKUKVKDEGNNOR-XRODADMRSA-N 1 2 447.583 2.641 20 0 IFADLO O=C1CCCN1[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@@H]21 ZINC001164650996 719302722 /nfs/dbraw/zinc/30/27/22/719302722.db2.gz KHKUKVKDEGNNOR-XRODADMRSA-N 1 2 447.583 2.641 20 0 IFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(-n3cncn3)n1)CC2 ZINC001164659566 719354290 /nfs/dbraw/zinc/35/42/90/719354290.db2.gz QVLCLEOMSRBAED-UHFFFAOYSA-N 1 2 441.543 2.752 20 0 IFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(-n3cncn3)n1)CC2 ZINC001164659566 719354291 /nfs/dbraw/zinc/35/42/91/719354291.db2.gz QVLCLEOMSRBAED-UHFFFAOYSA-N 1 2 441.543 2.752 20 0 IFADLO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703621 719861166 /nfs/dbraw/zinc/86/11/66/719861166.db2.gz QHXQFXZNLURRAD-HOYKHHGWSA-N 1 2 441.528 2.644 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(Oc2cccc(F)c2)n1 ZINC001164705100 719861996 /nfs/dbraw/zinc/86/19/96/719861996.db2.gz SUHNVJVXULXXFK-VGSWGCGISA-N 1 2 430.480 2.641 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(Oc2cccc(F)c2)n1 ZINC001164699873 719864044 /nfs/dbraw/zinc/86/40/44/719864044.db2.gz CKPRZAHPMAHOJM-VGSWGCGISA-N 1 2 430.480 2.641 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001164708450 719866163 /nfs/dbraw/zinc/86/61/63/719866163.db2.gz ZGJBFPVWAUCCRU-JTSKRJEESA-N 1 2 434.537 2.661 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1OCc1ccccc1 ZINC001164707993 719867572 /nfs/dbraw/zinc/86/75/72/719867572.db2.gz XCNKWUBMRIQSRW-YKSBVNFPSA-N 1 2 425.529 2.893 20 0 IFADLO CCN(c1ccccc1)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncn1 ZINC001164702312 719874610 /nfs/dbraw/zinc/87/46/10/719874610.db2.gz IEMKRWUMVACWMW-YKSBVNFPSA-N 1 2 439.560 2.867 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(OCc2ccccc2)n1 ZINC001164707381 719875489 /nfs/dbraw/zinc/87/54/89/719875489.db2.gz RXNCXEKUPKALGM-RDPSFJRHSA-N 1 2 440.544 2.597 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccc(Cl)nc2)n1 ZINC001164702328 719876267 /nfs/dbraw/zinc/87/62/67/719876267.db2.gz IIKSVRRTSYVVNH-VGSWGCGISA-N 1 2 445.951 2.733 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccc(Cl)nc2)n1 ZINC001164702325 719876372 /nfs/dbraw/zinc/87/63/72/719876372.db2.gz IIKSVRRTSYVVNH-JTSKRJEESA-N 1 2 445.951 2.733 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)nc(Cl)nc1C1CC1 ZINC001164698959 719878801 /nfs/dbraw/zinc/87/88/01/719878801.db2.gz GIBGKONFJPKVPA-ORAYPTAESA-N 1 2 429.348 2.894 20 0 IFADLO Cc1ccc2c(c1)nc(Cl)cc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709231 719912943 /nfs/dbraw/zinc/91/29/43/719912943.db2.gz RDLCYDOEPOQAJN-UHFFFAOYSA-N 1 2 438.963 2.880 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164717248 720217219 /nfs/dbraw/zinc/21/72/19/720217219.db2.gz HIUUBPLODLZQFW-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164717248 720217225 /nfs/dbraw/zinc/21/72/25/720217225.db2.gz HIUUBPLODLZQFW-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)C1 ZINC001164720054 720218527 /nfs/dbraw/zinc/21/85/27/720218527.db2.gz VINCFXDSPSFTOV-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)C1 ZINC001164720054 720218535 /nfs/dbraw/zinc/21/85/35/720218535.db2.gz VINCFXDSPSFTOV-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C4CCCCC4)n3)C2)C1 ZINC001164725433 720304335 /nfs/dbraw/zinc/30/43/35/720304335.db2.gz VKPWCPQESBFYEN-JOCHJYFZSA-N 1 2 436.000 2.843 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C4CCCCC4)n3)C2)C1 ZINC001164725433 720304337 /nfs/dbraw/zinc/30/43/37/720304337.db2.gz VKPWCPQESBFYEN-JOCHJYFZSA-N 1 2 436.000 2.843 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5sccc54)CC3)C2=O)cs1 ZINC001164826550 720358332 /nfs/dbraw/zinc/35/83/32/720358332.db2.gz WXXCBVHGXHCECE-UHFFFAOYSA-N 1 2 428.587 2.769 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5sccc54)CC3)C2=O)cs1 ZINC001164826550 720358340 /nfs/dbraw/zinc/35/83/40/720358340.db2.gz WXXCBVHGXHCECE-UHFFFAOYSA-N 1 2 428.587 2.769 20 0 IFADLO Cc1nc(CN2CCN(C)C3(CCN(c4cc(C(C)C)[nH+]c(C)n4)CC3)C2=O)cs1 ZINC001164826731 720359954 /nfs/dbraw/zinc/35/99/54/720359954.db2.gz YJZXCYSIDOLTKB-UHFFFAOYSA-N 1 2 428.606 2.987 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4c(C)nc(C)nc4Cl)CC3)C2=O)cs1 ZINC001164824068 720366610 /nfs/dbraw/zinc/36/66/10/720366610.db2.gz IFSNFDKRJVCVMZ-UHFFFAOYSA-N 1 2 434.997 2.825 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4c(C)nc(C)nc4Cl)CC3)C2=O)cs1 ZINC001164824068 720366615 /nfs/dbraw/zinc/36/66/15/720366615.db2.gz IFSNFDKRJVCVMZ-UHFFFAOYSA-N 1 2 434.997 2.825 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc5scnc54)CC3)C2=O)cs1 ZINC001164821131 720371222 /nfs/dbraw/zinc/37/12/22/720371222.db2.gz WWIUPIUKGVKJQO-UHFFFAOYSA-N 1 2 428.587 2.769 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc5scnc54)CC3)C2=O)cs1 ZINC001164821131 720371231 /nfs/dbraw/zinc/37/12/31/720371231.db2.gz WWIUPIUKGVKJQO-UHFFFAOYSA-N 1 2 428.587 2.769 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(OC(C)C)n4)CC3)C2=O)cs1 ZINC001164819736 720372348 /nfs/dbraw/zinc/37/23/48/720372348.db2.gz HSZRTNZBSBJCPB-UHFFFAOYSA-N 1 2 429.590 2.947 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(OC(C)C)n4)CC3)C2=O)cs1 ZINC001164819736 720372356 /nfs/dbraw/zinc/37/23/56/720372356.db2.gz HSZRTNZBSBJCPB-UHFFFAOYSA-N 1 2 429.590 2.947 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5c(nn4)CC[C@@H](C)C5)CC3)C2=O)cs1 ZINC001164826908 720384929 /nfs/dbraw/zinc/38/49/29/720384929.db2.gz YFLLOTFTJIJGIY-MRXNPFEDSA-N 1 2 440.617 2.680 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5c(nn4)CC[C@@H](C)C5)CC3)C2=O)cs1 ZINC001164826908 720384934 /nfs/dbraw/zinc/38/49/34/720384934.db2.gz YFLLOTFTJIJGIY-MRXNPFEDSA-N 1 2 440.617 2.680 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccsc31)C2 ZINC001164822690 720441038 /nfs/dbraw/zinc/44/10/38/720441038.db2.gz GGOUHHISZDZBCH-CQSZACIVSA-N 1 2 448.980 2.531 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3cccc(F)c3n1)C2 ZINC001164833233 720467172 /nfs/dbraw/zinc/46/71/72/720467172.db2.gz ZLFLJBJMQRRJAG-GOSISDBHSA-N 1 2 425.508 2.560 20 0 IFADLO COc1ccc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c(Cl)n1 ZINC001164860790 720895303 /nfs/dbraw/zinc/89/53/03/720895303.db2.gz UVIDXNZRDANXCE-UHFFFAOYSA-N 1 2 436.850 2.500 20 0 IFADLO Cc1nc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc(Cl)c1C ZINC001164860920 720896153 /nfs/dbraw/zinc/89/61/53/720896153.db2.gz WGPAZTQLMKKHES-UHFFFAOYSA-N 1 2 435.866 2.504 20 0 IFADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H](OCc5cccnc5)[C@@H]5COC[C@H]54)c3C2)cc1 ZINC001164756754 721003821 /nfs/dbraw/zinc/00/38/21/721003821.db2.gz KMYRLSLFTDSSHL-GPXOXTDOSA-N 1 2 443.551 2.850 20 0 IFADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H](OCc5cccnc5)[C@@H]5COC[C@H]54)c3C2)cc1 ZINC001164756754 721003829 /nfs/dbraw/zinc/00/38/29/721003829.db2.gz KMYRLSLFTDSSHL-GPXOXTDOSA-N 1 2 443.551 2.850 20 0 IFADLO COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164872018 721219177 /nfs/dbraw/zinc/21/91/77/721219177.db2.gz MKHJNTUUTORJKH-UHFFFAOYSA-N 1 2 425.867 2.954 20 0 IFADLO c1cnn(C[C@H]2Cn3ccnc3CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)c1 ZINC001164899135 721486071 /nfs/dbraw/zinc/48/60/71/721486071.db2.gz YHXGDOVHTAGHTC-NRFANRHFSA-N 1 2 440.555 2.765 20 0 IFADLO c1cnn(C[C@H]2Cn3ccnc3CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)c1 ZINC001164899135 721486076 /nfs/dbraw/zinc/48/60/76/721486076.db2.gz YHXGDOVHTAGHTC-NRFANRHFSA-N 1 2 440.555 2.765 20 0 IFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)NC1CCCCC1)C2 ZINC001165007158 721697165 /nfs/dbraw/zinc/69/71/65/721697165.db2.gz BNRFZBLODLXKPK-UHFFFAOYSA-N 1 2 425.581 2.986 20 0 IFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)NC1CCCCC1)C2 ZINC001165007158 721697173 /nfs/dbraw/zinc/69/71/73/721697173.db2.gz BNRFZBLODLXKPK-UHFFFAOYSA-N 1 2 425.581 2.986 20 0 IFADLO Fc1ccc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1Cl ZINC001164911505 721772135 /nfs/dbraw/zinc/77/21/35/721772135.db2.gz GZKOGMPDYDDIIN-IBGZPJMESA-N 1 2 442.869 2.922 20 0 IFADLO Fc1ccc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1Cl ZINC001164911505 721772139 /nfs/dbraw/zinc/77/21/39/721772139.db2.gz GZKOGMPDYDDIIN-IBGZPJMESA-N 1 2 442.869 2.922 20 0 IFADLO Clc1ccc2ncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164913342 721779504 /nfs/dbraw/zinc/77/95/04/721779504.db2.gz XCMSNPTUPCYZAY-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccc2ncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164913342 721779511 /nfs/dbraw/zinc/77/95/11/721779511.db2.gz XCMSNPTUPCYZAY-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1nnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2c1CCCC2 ZINC001164912974 721779924 /nfs/dbraw/zinc/77/99/24/721779924.db2.gz SJOFUXXUZDZGBV-JOCHJYFZSA-N 1 2 429.952 2.512 20 0 IFADLO Clc1nnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2c1CCCC2 ZINC001164912974 721779927 /nfs/dbraw/zinc/77/99/27/721779927.db2.gz SJOFUXXUZDZGBV-JOCHJYFZSA-N 1 2 429.952 2.512 20 0 IFADLO CSc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CCCC2 ZINC001164916315 721781062 /nfs/dbraw/zinc/78/10/62/721781062.db2.gz PPMNYGJEVVMJPO-QHCPKHFHSA-N 1 2 441.601 2.580 20 0 IFADLO CSc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CCCC2 ZINC001164916315 721781068 /nfs/dbraw/zinc/78/10/68/721781068.db2.gz PPMNYGJEVVMJPO-QHCPKHFHSA-N 1 2 441.601 2.580 20 0 IFADLO Clc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164916011 721785001 /nfs/dbraw/zinc/78/50/01/721785001.db2.gz NLHKUMFDMCWYTJ-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164916011 721785003 /nfs/dbraw/zinc/78/50/03/721785003.db2.gz NLHKUMFDMCWYTJ-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1cccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc12 ZINC001164914046 721786140 /nfs/dbraw/zinc/78/61/40/721786140.db2.gz AGDDDZQNJSKYPE-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1cccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc12 ZINC001164914046 721786145 /nfs/dbraw/zinc/78/61/45/721786145.db2.gz AGDDDZQNJSKYPE-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO O=C1[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]2CN1c1cccnc1 ZINC001165017699 721789693 /nfs/dbraw/zinc/78/96/93/721789693.db2.gz HCDSBEDPENOPRP-FPOVZHCZSA-N 1 2 426.524 2.529 20 0 IFADLO O=C1[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]2CN1c1cccnc1 ZINC001165017699 721789698 /nfs/dbraw/zinc/78/96/98/721789698.db2.gz HCDSBEDPENOPRP-FPOVZHCZSA-N 1 2 426.524 2.529 20 0 IFADLO c1ccc(Cc2nccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914280 721797236 /nfs/dbraw/zinc/79/72/36/721797236.db2.gz LEWFGFRHDDMDFK-RUZDIDTESA-N 1 2 431.540 2.570 20 0 IFADLO c1ccc(Cc2nccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914280 721797239 /nfs/dbraw/zinc/79/72/39/721797239.db2.gz LEWFGFRHDDMDFK-RUZDIDTESA-N 1 2 431.540 2.570 20 0 IFADLO COC(=O)c1nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c2ccccc2c1OC ZINC001164919937 721820320 /nfs/dbraw/zinc/82/03/20/721820320.db2.gz YWEDFGGNJWEHQC-UHFFFAOYSA-N 1 2 435.528 2.976 20 0 IFADLO Clc1nnc(Cl)c(N2CC[NH+](CCOc3ccccc3)CC2)c1N1CCOCC1 ZINC001165046747 721962361 /nfs/dbraw/zinc/96/23/61/721962361.db2.gz ODYJHUACHFKONU-UHFFFAOYSA-N 1 2 438.359 2.821 20 0 IFADLO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164944178 721968864 /nfs/dbraw/zinc/96/88/64/721968864.db2.gz HPJRGMJVWXFLTH-UHFFFAOYSA-N 1 2 442.947 2.883 20 0 IFADLO CCOC(=O)c1cnc(Cl)cc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164944178 721968869 /nfs/dbraw/zinc/96/88/69/721968869.db2.gz HPJRGMJVWXFLTH-UHFFFAOYSA-N 1 2 442.947 2.883 20 0 IFADLO CC(C)(C)NC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164945020 721974522 /nfs/dbraw/zinc/97/45/22/721974522.db2.gz AKHIHOMTKPBOMQ-UHFFFAOYSA-N 1 2 435.572 2.581 20 0 IFADLO CC(C)(C)NC(=O)c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164945020 721974525 /nfs/dbraw/zinc/97/45/25/721974525.db2.gz AKHIHOMTKPBOMQ-UHFFFAOYSA-N 1 2 435.572 2.581 20 0 IFADLO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164946059 721976259 /nfs/dbraw/zinc/97/62/59/721976259.db2.gz JEGUMOXDDMPANQ-LUAWRHEFSA-N 1 2 434.540 2.629 20 0 IFADLO CCOC(=O)/C=C\c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164946059 721976261 /nfs/dbraw/zinc/97/62/61/721976261.db2.gz JEGUMOXDDMPANQ-LUAWRHEFSA-N 1 2 434.540 2.629 20 0 IFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164945153 721976264 /nfs/dbraw/zinc/97/62/64/721976264.db2.gz DZRRVLYJVWRVJM-UHFFFAOYSA-N 1 2 432.503 2.649 20 0 IFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(-c3cccnc3F)n1)CC2 ZINC001164945153 721976266 /nfs/dbraw/zinc/97/62/66/721976266.db2.gz DZRRVLYJVWRVJM-UHFFFAOYSA-N 1 2 432.503 2.649 20 0 IFADLO CSc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(SC)n1 ZINC001164947646 721981439 /nfs/dbraw/zinc/98/14/39/721981439.db2.gz IFEIWRRHVKGLFR-UHFFFAOYSA-N 1 2 429.615 2.891 20 0 IFADLO CSc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(SC)n1 ZINC001164947646 721981441 /nfs/dbraw/zinc/98/14/41/721981441.db2.gz IFEIWRRHVKGLFR-UHFFFAOYSA-N 1 2 429.615 2.891 20 0 IFADLO Cc1noc(C[C@@H]2C[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164957367 722040610 /nfs/dbraw/zinc/04/06/10/722040610.db2.gz BIUJETZGHZDGOG-DXIQSLLYSA-N 1 2 432.528 2.563 20 0 IFADLO Cc1noc(C[C@@H]2C[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164957367 722040613 /nfs/dbraw/zinc/04/06/13/722040613.db2.gz BIUJETZGHZDGOG-DXIQSLLYSA-N 1 2 432.528 2.563 20 0 IFADLO O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164963733 722064180 /nfs/dbraw/zinc/06/41/80/722064180.db2.gz COIZDOLVEJTRBK-FGZHOGPDSA-N 1 2 446.580 2.985 20 0 IFADLO O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164963733 722064183 /nfs/dbraw/zinc/06/41/83/722064183.db2.gz COIZDOLVEJTRBK-FGZHOGPDSA-N 1 2 446.580 2.985 20 0 IFADLO CN1CC[NH+](Cc2cc3nc(N4CCC45CCCC5)nc(N4CCOCC4)c3s2)CC1 ZINC001164399766 718845231 /nfs/dbraw/zinc/84/52/31/718845231.db2.gz GDFWGFUAPFMCIN-UHFFFAOYSA-N 1 2 442.633 2.798 20 0 IFADLO NC(=O)c1cc(F)c(Cl)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673809 719499658 /nfs/dbraw/zinc/49/96/58/719499658.db2.gz SESNCPYJDYMTAR-UHFFFAOYSA-N 1 2 436.890 2.984 20 0 IFADLO NC(=O)c1cc(F)c(Cl)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673809 719499664 /nfs/dbraw/zinc/49/96/64/719499664.db2.gz SESNCPYJDYMTAR-UHFFFAOYSA-N 1 2 436.890 2.984 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2nc1Cl ZINC001164706418 719850414 /nfs/dbraw/zinc/85/04/14/719850414.db2.gz XKJWYDSPBPKOLW-QKKBWIMNSA-N 1 2 434.924 2.525 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(-c2c[nH]c3ccccc32)n1 ZINC001164701475 719853247 /nfs/dbraw/zinc/85/32/47/719853247.db2.gz KRPWOJULMKPOSU-BXKMTCNYSA-N 1 2 435.528 2.858 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)Nc2ccccc2)ccn1 ZINC001164700586 719855959 /nfs/dbraw/zinc/85/59/59/719855959.db2.gz IDEOCPKXEGXQRL-YKSBVNFPSA-N 1 2 438.528 2.567 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(Oc2cccc(F)c2)n1 ZINC001164705099 719861927 /nfs/dbraw/zinc/86/19/27/719861927.db2.gz SUHNVJVXULXXFK-VGOFRKELSA-N 1 2 430.480 2.641 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(OCc2ccccc2)n1 ZINC001164701895 719863052 /nfs/dbraw/zinc/86/30/52/719863052.db2.gz LVPVCFOEWJBMKN-GBXCKJPGSA-N 1 2 425.529 2.893 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(OCc2ccccc2)n1 ZINC001164701898 719863074 /nfs/dbraw/zinc/86/30/74/719863074.db2.gz LVPVCFOEWJBMKN-YKSBVNFPSA-N 1 2 425.529 2.893 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(Oc2cccc(F)c2)n1 ZINC001164699871 719863907 /nfs/dbraw/zinc/86/39/07/719863907.db2.gz CKPRZAHPMAHOJM-VGOFRKELSA-N 1 2 430.480 2.641 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(Oc2ccc(F)cc2)n1 ZINC001164708422 719871955 /nfs/dbraw/zinc/87/19/55/719871955.db2.gz ZDLVFDMLZYKZSL-HTAPYJJXSA-N 1 2 430.480 2.641 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2c(F)cccc2F)nn1 ZINC001164707808 719872142 /nfs/dbraw/zinc/87/21/42/719872142.db2.gz VPJQRMMOFNESJV-NYHFZMIOSA-N 1 2 432.471 2.655 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2c(F)cccc2F)nn1 ZINC001164707810 719872411 /nfs/dbraw/zinc/87/24/11/719872411.db2.gz VPJQRMMOFNESJV-QRQCRPRQSA-N 1 2 432.471 2.655 20 0 IFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3c(Cl)ccc(F)c3n1)CC2 ZINC001164708950 719933165 /nfs/dbraw/zinc/93/31/65/719933165.db2.gz VMNOAFCUEPPHAY-UHFFFAOYSA-N 1 2 442.926 2.711 20 0 IFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164708935 719934451 /nfs/dbraw/zinc/93/44/51/719934451.db2.gz VDDPCSDPKAVLFJ-UHFFFAOYSA-N 1 2 442.926 2.711 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164823989 720361650 /nfs/dbraw/zinc/36/16/50/720361650.db2.gz GELWTZABXOAJGX-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5ccc(F)cc54)CC3)C2=O)cs1 ZINC001164823989 720361655 /nfs/dbraw/zinc/36/16/55/720361655.db2.gz GELWTZABXOAJGX-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO Cc1nc(CN2CCN(C)C3(CCN(c4cc(C)[nH+]c(C5CC5)n4)CC3)C2=O)cs1 ZINC001164825871 720380270 /nfs/dbraw/zinc/38/02/70/720380270.db2.gz VUNURRROSHOWCE-UHFFFAOYSA-N 1 2 426.590 2.741 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5ccco5)nn4)CC3)C2=O)cs1 ZINC001164820459 720381213 /nfs/dbraw/zinc/38/12/13/720381213.db2.gz BYBWDEPFJYLZBE-UHFFFAOYSA-N 1 2 438.557 2.815 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5ccco5)nn4)CC3)C2=O)cs1 ZINC001164820459 720381223 /nfs/dbraw/zinc/38/12/23/720381223.db2.gz BYBWDEPFJYLZBE-UHFFFAOYSA-N 1 2 438.557 2.815 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)cc1Cl)C2 ZINC001164826207 720430788 /nfs/dbraw/zinc/43/07/88/720430788.db2.gz OUHFVTMYLLIREH-AWEZNQCLSA-N 1 2 426.348 2.575 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)cc(Cl)n1)C2 ZINC001164824917 720430933 /nfs/dbraw/zinc/43/09/33/720430933.db2.gz MLYADFMQNNTSAX-AWEZNQCLSA-N 1 2 426.348 2.575 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nnc(Cl)c3ccsc31)C2 ZINC001164822689 720440951 /nfs/dbraw/zinc/44/09/51/720440951.db2.gz GGOUHHISZDZBCH-AWEZNQCLSA-N 1 2 448.980 2.531 20 0 IFADLO Cc1c[nH]c2nc(Cl)cc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164829695 720469279 /nfs/dbraw/zinc/46/92/79/720469279.db2.gz GTTNNPIXIVGSFV-INIZCTEOSA-N 1 2 444.967 2.711 20 0 IFADLO Cc1c(Cl)nc(C(C)C)nc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164830460 720480103 /nfs/dbraw/zinc/48/01/03/720480103.db2.gz BROZEDIFPAAOFR-QGZVFWFLSA-N 1 2 448.999 2.748 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164832622 720484236 /nfs/dbraw/zinc/48/42/36/720484236.db2.gz KFQDTONBOXOSOG-QGZVFWFLSA-N 1 2 433.984 2.652 20 0 IFADLO COc1ccc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1Cl ZINC001164856867 720896107 /nfs/dbraw/zinc/89/61/07/720896107.db2.gz HOFBKCLTTXNLAV-UHFFFAOYSA-N 1 2 436.850 2.500 20 0 IFADLO CCOC(=O)c1cc2ccc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2[nH]1 ZINC001164885270 721424629 /nfs/dbraw/zinc/42/46/29/721424629.db2.gz GLIBBGYJDOHNEI-YADARESESA-N 1 2 441.576 2.505 20 0 IFADLO COC(=O)c1ccc2nc(Cl)c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)nc2c1 ZINC001165008969 721695819 /nfs/dbraw/zinc/69/58/19/721695819.db2.gz MNBJKYIFHFMXEM-UHFFFAOYSA-N 1 2 443.939 2.912 20 0 IFADLO COC(=O)c1ccc2nc(Cl)c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)nc2c1 ZINC001165008969 721695821 /nfs/dbraw/zinc/69/58/21/721695821.db2.gz MNBJKYIFHFMXEM-UHFFFAOYSA-N 1 2 443.939 2.912 20 0 IFADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011242 721701208 /nfs/dbraw/zinc/70/12/08/721701208.db2.gz OQACOFXLFXYJOL-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011242 721701214 /nfs/dbraw/zinc/70/12/14/721701214.db2.gz OQACOFXLFXYJOL-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1ccc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c(Cl)n1 ZINC001165010259 721702338 /nfs/dbraw/zinc/70/23/38/721702338.db2.gz GFOQZBWPTSHULS-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1ccc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c(Cl)n1 ZINC001165010259 721702341 /nfs/dbraw/zinc/70/23/41/721702341.db2.gz GFOQZBWPTSHULS-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008194 721713114 /nfs/dbraw/zinc/71/31/14/721713114.db2.gz CITJFRPWLJLAFA-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008194 721713123 /nfs/dbraw/zinc/71/31/23/721713123.db2.gz CITJFRPWLJLAFA-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO Cc1ccc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)nc1Cl ZINC001165014156 721765780 /nfs/dbraw/zinc/76/57/80/721765780.db2.gz DVISIAHDGNKUKA-UHFFFAOYSA-N 1 2 449.893 2.511 20 0 IFADLO CCCN(CCC)c1cncc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164915973 721790523 /nfs/dbraw/zinc/79/05/23/721790523.db2.gz MRFBSYNHOFBVMO-XMMPIXPASA-N 1 2 440.592 2.606 20 0 IFADLO CCCN(CCC)c1cncc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164915973 721790527 /nfs/dbraw/zinc/79/05/27/721790527.db2.gz MRFBSYNHOFBVMO-XMMPIXPASA-N 1 2 440.592 2.606 20 0 IFADLO Fc1ccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164915246 721795152 /nfs/dbraw/zinc/79/51/52/721795152.db2.gz USDNPLIWXMSMBP-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO Fc1ccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164915246 721795156 /nfs/dbraw/zinc/79/51/56/721795156.db2.gz USDNPLIWXMSMBP-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO COc1ccccc1-c1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913456 721795469 /nfs/dbraw/zinc/79/54/69/721795469.db2.gz DHNQYGMQVPDVGV-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO COc1ccccc1-c1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913456 721795473 /nfs/dbraw/zinc/79/54/73/721795473.db2.gz DHNQYGMQVPDVGV-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO COc1ccccc1-c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164913458 721795741 /nfs/dbraw/zinc/79/57/41/721795741.db2.gz DHNQYGMQVPDVGV-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO COc1ccccc1-c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164913458 721795744 /nfs/dbraw/zinc/79/57/44/721795744.db2.gz DHNQYGMQVPDVGV-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO Cc1nc(C2CC2)nc(Cl)c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915676 721796295 /nfs/dbraw/zinc/79/62/95/721796295.db2.gz XMFMXODXSCSOSF-JOCHJYFZSA-N 1 2 429.952 2.819 20 0 IFADLO Cc1nc(C2CC2)nc(Cl)c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915676 721796296 /nfs/dbraw/zinc/79/62/96/721796296.db2.gz XMFMXODXSCSOSF-JOCHJYFZSA-N 1 2 429.952 2.819 20 0 IFADLO Fc1cccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164913249 721796751 /nfs/dbraw/zinc/79/67/51/721796751.db2.gz BXIIJTOUCLUBHB-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO Fc1cccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164913249 721796754 /nfs/dbraw/zinc/79/67/54/721796754.db2.gz BXIIJTOUCLUBHB-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO COC(=O)c1cc2c(N3CCC4(CC3)c3ncc(C)n3CC[N@H+]4C)[nH]c(Cl)cc-2n1 ZINC001164917643 721817630 /nfs/dbraw/zinc/81/76/30/721817630.db2.gz GQZKKBKCKQVGDO-UHFFFAOYSA-N 1 2 428.924 2.949 20 0 IFADLO COC(=O)c1cc2c(N3CCC4(CC3)c3ncc(C)n3CC[N@@H+]4C)[nH]c(Cl)cc-2n1 ZINC001164917643 721817631 /nfs/dbraw/zinc/81/76/31/721817631.db2.gz GQZKKBKCKQVGDO-UHFFFAOYSA-N 1 2 428.924 2.949 20 0 IFADLO Cc1cnc2n1CC[N@@H+](C)C21CCN([C@@](F)(COc2cncc(Cl)n2)C(F)F)CC1 ZINC001164919961 721819682 /nfs/dbraw/zinc/81/96/82/721819682.db2.gz ZOLIYCTZDJGTNS-IBGZPJMESA-N 1 2 444.889 2.881 20 0 IFADLO Cc1cnc2n1CC[N@H+](C)C21CCN([C@@](F)(COc2cncc(Cl)n2)C(F)F)CC1 ZINC001164919961 721819684 /nfs/dbraw/zinc/81/96/84/721819684.db2.gz ZOLIYCTZDJGTNS-IBGZPJMESA-N 1 2 444.889 2.881 20 0 IFADLO CCCN(CCC)c1cc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc[nH+]1 ZINC001164936627 721907009 /nfs/dbraw/zinc/90/70/09/721907009.db2.gz SLAQXHJBTJVZFF-UHFFFAOYSA-N 1 2 427.597 2.708 20 0 IFADLO CCCN(CCC)c1cc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)[nH+]cn1 ZINC001164936627 721907010 /nfs/dbraw/zinc/90/70/10/721907010.db2.gz SLAQXHJBTJVZFF-UHFFFAOYSA-N 1 2 427.597 2.708 20 0 IFADLO COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c12 ZINC001164939182 721928112 /nfs/dbraw/zinc/92/81/12/721928112.db2.gz KELAUJRBCYRWJS-UHFFFAOYSA-N 1 2 435.528 2.924 20 0 IFADLO COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c12 ZINC001164939182 721928114 /nfs/dbraw/zinc/92/81/14/721928114.db2.gz KELAUJRBCYRWJS-UHFFFAOYSA-N 1 2 435.528 2.924 20 0 IFADLO O=C(c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1)N1CCCCC1 ZINC001164944517 721969806 /nfs/dbraw/zinc/96/98/06/721969806.db2.gz JRCDSSKXEAGJHR-UHFFFAOYSA-N 1 2 447.583 2.679 20 0 IFADLO O=C(c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1)N1CCCCC1 ZINC001164944517 721969809 /nfs/dbraw/zinc/96/98/09/721969809.db2.gz JRCDSSKXEAGJHR-UHFFFAOYSA-N 1 2 447.583 2.679 20 0 IFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164947051 721974438 /nfs/dbraw/zinc/97/44/38/721974438.db2.gz NKEWXUOIGZTXNH-UHFFFAOYSA-N 1 2 442.947 2.883 20 0 IFADLO CCOC(=O)c1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(Cl)c1 ZINC001164947051 721974440 /nfs/dbraw/zinc/97/44/40/721974440.db2.gz NKEWXUOIGZTXNH-UHFFFAOYSA-N 1 2 442.947 2.883 20 0 IFADLO COC(=O)c1cccc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ccc21 ZINC001164951403 721980050 /nfs/dbraw/zinc/98/00/50/721980050.db2.gz YWNLINWBBCQQML-UHFFFAOYSA-N 1 2 444.535 2.992 20 0 IFADLO COC(=O)c1cccc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ccc21 ZINC001164951403 721980053 /nfs/dbraw/zinc/98/00/53/721980053.db2.gz YWNLINWBBCQQML-UHFFFAOYSA-N 1 2 444.535 2.992 20 0 IFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054183 722009005 /nfs/dbraw/zinc/00/90/05/722009005.db2.gz PRHQZSKEMGXVOX-UHFFFAOYSA-N 1 2 425.867 2.611 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4ccnc(Cl)c4)ccn3)CC2)C1=O ZINC001164635709 719270987 /nfs/dbraw/zinc/27/09/87/719270987.db2.gz UKNVOOSAKQIFJE-UHFFFAOYSA-N 1 2 429.952 2.556 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4ccnc(Cl)c4)ccn3)CC2)C1=O ZINC001164635709 719270988 /nfs/dbraw/zinc/27/09/88/719270988.db2.gz UKNVOOSAKQIFJE-UHFFFAOYSA-N 1 2 429.952 2.556 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(SCc4ccccc4)ncn3)CC2)C1=O ZINC001164644107 719282380 /nfs/dbraw/zinc/28/23/80/719282380.db2.gz CYDGSMJDJKZPGR-UHFFFAOYSA-N 1 2 441.601 2.528 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(SCc4ccccc4)ncn3)CC2)C1=O ZINC001164644107 719282382 /nfs/dbraw/zinc/28/23/82/719282382.db2.gz CYDGSMJDJKZPGR-UHFFFAOYSA-N 1 2 441.601 2.528 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc4cc(Cl)ncc4cc3OC)CC2)C1=O ZINC001164644998 719285797 /nfs/dbraw/zinc/28/57/97/719285797.db2.gz ZYOQITCGUNNAEE-UHFFFAOYSA-N 1 2 432.952 2.656 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc4cc(Cl)ncc4cc3OC)CC2)C1=O ZINC001164644998 719285801 /nfs/dbraw/zinc/28/58/01/719285801.db2.gz ZYOQITCGUNNAEE-UHFFFAOYSA-N 1 2 432.952 2.656 20 0 IFADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(CN4CCOCC4)cn2)CC3)cc1 ZINC001164668969 719495024 /nfs/dbraw/zinc/49/50/24/719495024.db2.gz RYXTVNNHWCSSFU-UHFFFAOYSA-N 1 2 440.563 2.924 20 0 IFADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(CN4CCOCC4)cn2)CC3)cc1 ZINC001164668969 719495028 /nfs/dbraw/zinc/49/50/28/719495028.db2.gz RYXTVNNHWCSSFU-UHFFFAOYSA-N 1 2 440.563 2.924 20 0 IFADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nn1 ZINC001164670390 719517345 /nfs/dbraw/zinc/51/73/45/719517345.db2.gz DBCQHRJFRLKHIB-UHFFFAOYSA-N 1 2 428.508 2.593 20 0 IFADLO CCOC(=O)Cc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nn1 ZINC001164670390 719517348 /nfs/dbraw/zinc/51/73/48/719517348.db2.gz DBCQHRJFRLKHIB-UHFFFAOYSA-N 1 2 428.508 2.593 20 0 IFADLO CCOC(=O)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc2ccccc21 ZINC001164705568 719853284 /nfs/dbraw/zinc/85/32/84/719853284.db2.gz UGOJTYBTSGUKSY-XDHUDOTRSA-N 1 2 441.528 2.644 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cncc(Oc2cccc(OC)c2)n1 ZINC001164700108 719862155 /nfs/dbraw/zinc/86/21/55/719862155.db2.gz GLEOFILPSMNADA-HXOBKFHXSA-N 1 2 442.516 2.510 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(Cc2ccccc2)n1 ZINC001164705103 719862996 /nfs/dbraw/zinc/86/29/96/719862996.db2.gz SUKZPOCQJWFADY-WMZHIEFXSA-N 1 2 444.963 2.954 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(Oc2cccc(F)c2)n1 ZINC001164699869 719864155 /nfs/dbraw/zinc/86/41/55/719864155.db2.gz CKPRZAHPMAHOJM-JTSKRJEESA-N 1 2 430.480 2.641 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(-c2ccccc2F)n1 ZINC001164702864 719877751 /nfs/dbraw/zinc/87/77/51/719877751.db2.gz JCPDILPSJFTNBC-GAJHUEQPSA-N 1 2 428.508 2.824 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(-c2ccccc2F)n1 ZINC001164702871 719877896 /nfs/dbraw/zinc/87/78/96/719877896.db2.gz JCPDILPSJFTNBC-SBUREZEXSA-N 1 2 428.508 2.824 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC001164717875 720216171 /nfs/dbraw/zinc/21/61/71/720216171.db2.gz KFNGHMYSEGVTQA-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)c(Cl)c3)C2)C1 ZINC001164717875 720216177 /nfs/dbraw/zinc/21/61/77/720216177.db2.gz KFNGHMYSEGVTQA-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)C1 ZINC001164718522 720216670 /nfs/dbraw/zinc/21/66/70/720216670.db2.gz MVZQEQBNZSEBLQ-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3Cl)C2)C1 ZINC001164718522 720216673 /nfs/dbraw/zinc/21/66/73/720216673.db2.gz MVZQEQBNZSEBLQ-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(SC)c(Cl)n3)C2)C1 ZINC001164718618 720261216 /nfs/dbraw/zinc/26/12/16/720261216.db2.gz GATDIRLCOCTNLI-SFHVURJKSA-N 1 2 448.967 2.667 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(SC)c(Cl)n3)C2)C1 ZINC001164718618 720261222 /nfs/dbraw/zinc/26/12/22/720261222.db2.gz GATDIRLCOCTNLI-SFHVURJKSA-N 1 2 448.967 2.667 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3)C2)C1 ZINC001164726158 720306476 /nfs/dbraw/zinc/30/64/76/720306476.db2.gz YFNWZGQEARCPKU-JOCHJYFZSA-N 1 2 445.951 2.587 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3)C2)C1 ZINC001164726158 720306483 /nfs/dbraw/zinc/30/64/83/720306483.db2.gz YFNWZGQEARCPKU-JOCHJYFZSA-N 1 2 445.951 2.587 20 0 IFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(=S)[nH]1 ZINC001164724995 720315532 /nfs/dbraw/zinc/31/55/32/720315532.db2.gz UQWURFYCJYEDCW-LBPRGKRZSA-N 1 2 430.912 2.981 20 0 IFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COc1ccc(Cl)nn1 ZINC001164724594 720316279 /nfs/dbraw/zinc/31/62/79/720316279.db2.gz RTSZKFVJBWDTEW-AWEZNQCLSA-N 1 2 428.871 2.615 20 0 IFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COc1cncc(Cl)n1 ZINC001164721110 720316576 /nfs/dbraw/zinc/31/65/76/720316576.db2.gz FEMCTQXYQMPDRC-CQSZACIVSA-N 1 2 428.871 2.615 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)nc5ccoc54)CC3)C2=O)cs1 ZINC001164826603 720359116 /nfs/dbraw/zinc/35/91/16/720359116.db2.gz XMMHDPIJZFNXMW-UHFFFAOYSA-N 1 2 426.546 2.609 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)nc5ccoc54)CC3)C2=O)cs1 ZINC001164826603 720359122 /nfs/dbraw/zinc/35/91/22/720359122.db2.gz XMMHDPIJZFNXMW-UHFFFAOYSA-N 1 2 426.546 2.609 20 0 IFADLO Cc1nc(CN2CCN(C)C3(CCN(c4[nH+]cnc5[nH]c(C)c(C)c54)CC3)C2=O)cs1 ZINC001164821116 720372093 /nfs/dbraw/zinc/37/20/93/720372093.db2.gz WSWYZPNAXLAOGN-UHFFFAOYSA-N 1 2 439.589 2.653 20 0 IFADLO COc1ccnc(Cl)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164827208 720383164 /nfs/dbraw/zinc/38/31/64/720383164.db2.gz ZXCCVZBNIORJFB-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO COc1ccnc(Cl)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164827208 720383168 /nfs/dbraw/zinc/38/31/68/720383168.db2.gz ZXCCVZBNIORJFB-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164826411 720416970 /nfs/dbraw/zinc/41/69/70/720416970.db2.gz QFHVEBXVVLBKSB-YPAWHYETSA-N 1 2 449.599 2.648 20 0 IFADLO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164826411 720416983 /nfs/dbraw/zinc/41/69/83/720416983.db2.gz QFHVEBXVVLBKSB-YPAWHYETSA-N 1 2 449.599 2.648 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)ccnc1Cl)C2 ZINC001164823429 720448960 /nfs/dbraw/zinc/44/89/60/720448960.db2.gz JRWBBGACCPQPHB-AWEZNQCLSA-N 1 2 426.348 2.575 20 0 IFADLO Cc1c(Cl)cnc(Cl)c1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164833135 720466800 /nfs/dbraw/zinc/46/68/00/720466800.db2.gz YYEXBPBMGAYPEG-HNNXBMFYSA-N 1 2 440.375 2.883 20 0 IFADLO CSc1cc(Cl)cnc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164828863 720468741 /nfs/dbraw/zinc/46/87/41/720468741.db2.gz BHIZOTXUZUJUEN-OAHLLOKOSA-N 1 2 437.997 2.643 20 0 IFADLO Cc1nc(C2CC2)nc(Cl)c1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164832259 720474076 /nfs/dbraw/zinc/47/40/76/720474076.db2.gz RZSQEZFNBRGJEN-KRWDZBQOSA-N 1 2 446.983 2.502 20 0 IFADLO NC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1Cl ZINC001164756447 720973006 /nfs/dbraw/zinc/97/30/06/720973006.db2.gz IKXFBGLYIHAAOA-CYBMUJFWSA-N 1 2 425.867 2.638 20 0 IFADLO FC(F)(COc1cncc(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770053 721275570 /nfs/dbraw/zinc/27/55/70/721275570.db2.gz SYWWYOYOYHCHPE-AWEZNQCLSA-N 1 2 436.850 2.904 20 0 IFADLO COc1nnc(Cl)cc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164769080 721276832 /nfs/dbraw/zinc/27/68/32/721276832.db2.gz ODRVRWWFSNPZQA-ZDUSSCGKSA-N 1 2 436.850 2.990 20 0 IFADLO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164785284 721448921 /nfs/dbraw/zinc/44/89/21/721448921.db2.gz IETFQKUZDIDATJ-INIZCTEOSA-N 1 2 434.972 2.740 20 0 IFADLO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164785284 721448945 /nfs/dbraw/zinc/44/89/45/721448945.db2.gz IETFQKUZDIDATJ-INIZCTEOSA-N 1 2 434.972 2.740 20 0 IFADLO Cc1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc(NC(=O)c2ccccc2)n1 ZINC001165010510 721717524 /nfs/dbraw/zinc/71/75/24/721717524.db2.gz IFQJGEBHNCEYDA-UHFFFAOYSA-N 1 2 434.548 2.879 20 0 IFADLO Cc1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc(NC(=O)c2ccccc2)n1 ZINC001165010510 721717537 /nfs/dbraw/zinc/71/75/37/721717537.db2.gz IFQJGEBHNCEYDA-UHFFFAOYSA-N 1 2 434.548 2.879 20 0 IFADLO COC(=O)c1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912482 721779910 /nfs/dbraw/zinc/77/99/10/721779910.db2.gz MJQAJBHCTPKLLZ-RUZDIDTESA-N 1 2 448.523 2.524 20 0 IFADLO COC(=O)c1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164912482 721779912 /nfs/dbraw/zinc/77/99/12/721779912.db2.gz MJQAJBHCTPKLLZ-RUZDIDTESA-N 1 2 448.523 2.524 20 0 IFADLO Clc1cnc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164911327 721779989 /nfs/dbraw/zinc/77/99/89/721779989.db2.gz GEYVPJFBEKRQBL-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1cnc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164911327 721779995 /nfs/dbraw/zinc/77/99/95/721779995.db2.gz GEYVPJFBEKRQBL-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1cccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc12 ZINC001164914047 721785885 /nfs/dbraw/zinc/78/58/85/721785885.db2.gz AGDDDZQNJSKYPE-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1cccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc12 ZINC001164914047 721785888 /nfs/dbraw/zinc/78/58/88/721785888.db2.gz AGDDDZQNJSKYPE-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Cc1nc2c(nc(Cl)nc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)s1 ZINC001164916637 721786283 /nfs/dbraw/zinc/78/62/83/721786283.db2.gz RFOSSRZLMXHBFD-HXUWFJFHSA-N 1 2 446.964 2.551 20 0 IFADLO Cc1nc2c(nc(Cl)nc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)s1 ZINC001164916637 721786292 /nfs/dbraw/zinc/78/62/92/721786292.db2.gz RFOSSRZLMXHBFD-HXUWFJFHSA-N 1 2 446.964 2.551 20 0 IFADLO Clc1ccnc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc12 ZINC001164914060 721787138 /nfs/dbraw/zinc/78/71/38/721787138.db2.gz ANCUIYRNZNSKMR-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc12 ZINC001164914060 721787141 /nfs/dbraw/zinc/78/71/41/721787141.db2.gz ANCUIYRNZNSKMR-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO c1ccc2c(c1)CCc1cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc1-2 ZINC001164916377 721791279 /nfs/dbraw/zinc/79/12/79/721791279.db2.gz QDYHMRLPVHJBES-SANMLTNESA-N 1 2 443.551 2.745 20 0 IFADLO c1ccc2c(c1)CCc1cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc1-2 ZINC001164916377 721791282 /nfs/dbraw/zinc/79/12/82/721791282.db2.gz QDYHMRLPVHJBES-SANMLTNESA-N 1 2 443.551 2.745 20 0 IFADLO CCc1nc(Cl)c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164915294 721796549 /nfs/dbraw/zinc/79/65/49/721796549.db2.gz VSNZAJKHDXRLBX-FQEVSTJZSA-N 1 2 438.359 2.849 20 0 IFADLO CCc1nc(Cl)c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(Cl)n1 ZINC001164915294 721796553 /nfs/dbraw/zinc/79/65/53/721796553.db2.gz VSNZAJKHDXRLBX-FQEVSTJZSA-N 1 2 438.359 2.849 20 0 IFADLO Cc1nc(-c2ccccn2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164914320 721797949 /nfs/dbraw/zinc/79/79/49/721797949.db2.gz LRHSGOVKYXHBFW-RUZDIDTESA-N 1 2 446.555 2.658 20 0 IFADLO Cc1nc(-c2ccccn2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164914320 721797952 /nfs/dbraw/zinc/79/79/52/721797952.db2.gz LRHSGOVKYXHBFW-RUZDIDTESA-N 1 2 446.555 2.658 20 0 IFADLO Clc1nc2c(nc1N1CCO[C@]3(C1)COCC[N@H+](Cc1cccnc1)C3)CCCC2 ZINC001164914427 721800911 /nfs/dbraw/zinc/80/09/11/721800911.db2.gz NGCQFIFNQVWGQP-JOCHJYFZSA-N 1 2 429.952 2.512 20 0 IFADLO Clc1nc2c(nc1N1CCO[C@]3(C1)COCC[N@@H+](Cc1cccnc1)C3)CCCC2 ZINC001164914427 721800913 /nfs/dbraw/zinc/80/09/13/721800913.db2.gz NGCQFIFNQVWGQP-JOCHJYFZSA-N 1 2 429.952 2.512 20 0 IFADLO COc1cc2ccc(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)[nH+]c2cc1OC ZINC001164935229 721906306 /nfs/dbraw/zinc/90/63/06/721906306.db2.gz DCGRXEYHDSIPFR-UHFFFAOYSA-N 1 2 437.544 2.857 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3OCc3ccc(F)cc3)CC2)C1=O ZINC001164644673 719282112 /nfs/dbraw/zinc/28/21/12/719282112.db2.gz PPWPDCDNQSJRRS-UHFFFAOYSA-N 1 2 442.535 2.559 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3OCc3ccc(F)cc3)CC2)C1=O ZINC001164644673 719282118 /nfs/dbraw/zinc/28/21/18/719282118.db2.gz PPWPDCDNQSJRRS-UHFFFAOYSA-N 1 2 442.535 2.559 20 0 IFADLO COc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc2c1ccn2C ZINC001164677854 719531250 /nfs/dbraw/zinc/53/12/50/719531250.db2.gz HNCYCYDRXMBJRY-UHFFFAOYSA-N 1 2 425.508 2.987 20 0 IFADLO COc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc2c1ccn2C ZINC001164677854 719531257 /nfs/dbraw/zinc/53/12/57/719531257.db2.gz HNCYCYDRXMBJRY-UHFFFAOYSA-N 1 2 425.508 2.987 20 0 IFADLO O=C([C@@H]1C[C@H]2OCC[C@H]2N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164677855 719535095 /nfs/dbraw/zinc/53/50/95/719535095.db2.gz HNOJVBGDMWQXCR-AGILITTLSA-N 1 2 447.583 2.641 20 0 IFADLO O=C([C@@H]1C[C@H]2OCC[C@H]2N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164677855 719535099 /nfs/dbraw/zinc/53/50/99/719535099.db2.gz HNOJVBGDMWQXCR-AGILITTLSA-N 1 2 447.583 2.641 20 0 IFADLO c1cn(Cc2noc3c2CN(c2ncnc4c2CN(Cc2ccccc2)CC4)CC3)c[nH+]1 ZINC001164676437 719563301 /nfs/dbraw/zinc/56/33/01/719563301.db2.gz BHSDUKOFLGEXGN-UHFFFAOYSA-N 1 2 427.512 2.830 20 0 IFADLO COCc1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc(-c2ccccc2)n1 ZINC001164699961 719841785 /nfs/dbraw/zinc/84/17/85/719841785.db2.gz JDUVELVAWPURAT-HYBUGGRVSA-N 1 2 440.544 2.523 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)Nc2ccccc2)ccn1 ZINC001164700580 719856110 /nfs/dbraw/zinc/85/61/10/719856110.db2.gz IDEOCPKXEGXQRL-GBXCKJPGSA-N 1 2 438.528 2.567 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(Oc2ccc(F)cc2)n1 ZINC001164708423 719871832 /nfs/dbraw/zinc/87/18/32/719871832.db2.gz ZDLVFDMLZYKZSL-JTSKRJEESA-N 1 2 430.480 2.641 20 0 IFADLO CCOc1ccc(-c2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@@]3(C)C(=O)OC)nn2)cc1 ZINC001164706498 719873047 /nfs/dbraw/zinc/87/30/47/719873047.db2.gz PRAYWANRSPXZES-CYFREDJKSA-N 1 2 440.544 2.775 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(OCc2ccccc2)n1 ZINC001164707380 719875755 /nfs/dbraw/zinc/87/57/55/719875755.db2.gz RXNCXEKUPKALGM-HYBUGGRVSA-N 1 2 440.544 2.597 20 0 IFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164708691 719902225 /nfs/dbraw/zinc/90/22/25/719902225.db2.gz HFLLJYDMOMEDGE-UHFFFAOYSA-N 1 2 430.965 2.634 20 0 IFADLO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708057 719934119 /nfs/dbraw/zinc/93/41/19/719934119.db2.gz AZIRKGUHPIFMNQ-CQSZACIVSA-N 1 2 445.999 2.636 20 0 IFADLO c1ccn(Cc2nnc3n2CCN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)CC3)c1 ZINC001164713728 720090036 /nfs/dbraw/zinc/09/00/36/720090036.db2.gz TXMVDCPSDCDBOZ-UHFFFAOYSA-N 1 2 440.555 2.539 20 0 IFADLO c1ccn(Cc2nnc3n2CCN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)CC3)c1 ZINC001164713728 720090043 /nfs/dbraw/zinc/09/00/43/720090043.db2.gz TXMVDCPSDCDBOZ-UHFFFAOYSA-N 1 2 440.555 2.539 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)C1 ZINC001164718926 720219024 /nfs/dbraw/zinc/21/90/24/720219024.db2.gz PCEMCEWJQUEDBT-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)C1 ZINC001164718926 720219028 /nfs/dbraw/zinc/21/90/28/720219028.db2.gz PCEMCEWJQUEDBT-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(SC)c(Cl)n3)C2)C1 ZINC001164718617 720260030 /nfs/dbraw/zinc/26/00/30/720260030.db2.gz GATDIRLCOCTNLI-GOSISDBHSA-N 1 2 448.967 2.667 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(SC)c(Cl)n3)C2)C1 ZINC001164718617 720260033 /nfs/dbraw/zinc/26/00/33/720260033.db2.gz GATDIRLCOCTNLI-GOSISDBHSA-N 1 2 448.967 2.667 20 0 IFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)cc(N(C)C)n1 ZINC001164722745 720312186 /nfs/dbraw/zinc/31/21/86/720312186.db2.gz LFKLSHCLYANLQA-AWEZNQCLSA-N 1 2 441.914 2.758 20 0 IFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)cc(N(C)C)n1 ZINC001164722747 720313096 /nfs/dbraw/zinc/31/30/96/720313096.db2.gz LFKLSHCLYANLQA-CQSZACIVSA-N 1 2 441.914 2.758 20 0 IFADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(N(C)C)nc(Cl)n1 ZINC001164721086 720317428 /nfs/dbraw/zinc/31/74/28/720317428.db2.gz DOOFGCYHZZWNEH-AWEZNQCLSA-N 1 2 441.914 2.758 20 0 IFADLO COc1nnc(Cl)cc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@@H]1CNC(C)=O ZINC001164723895 720317809 /nfs/dbraw/zinc/31/78/09/720317809.db2.gz PTAPGNMRIOIKPT-AWEZNQCLSA-N 1 2 428.871 2.701 20 0 IFADLO COc1ccc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164820694 720371710 /nfs/dbraw/zinc/37/17/10/720371710.db2.gz QPKXYKGMNKJVRU-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO COc1ccc(Cl)c(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164820694 720371718 /nfs/dbraw/zinc/37/17/18/720371718.db2.gz QPKXYKGMNKJVRU-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO COc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)c(Cl)c1 ZINC001164820177 720374536 /nfs/dbraw/zinc/37/45/36/720374536.db2.gz LWVZCBKJPITUBO-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO COc1cnc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)c(Cl)c1 ZINC001164820177 720374544 /nfs/dbraw/zinc/37/45/44/720374544.db2.gz LWVZCBKJPITUBO-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5ccccn5)nn4)CC3)C2=O)cs1 ZINC001164827205 720381023 /nfs/dbraw/zinc/38/10/23/720381023.db2.gz ZXBUKWZDEOTVQU-UHFFFAOYSA-N 1 2 449.584 2.617 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5ccccn5)nn4)CC3)C2=O)cs1 ZINC001164827205 720381030 /nfs/dbraw/zinc/38/10/30/720381030.db2.gz ZXBUKWZDEOTVQU-UHFFFAOYSA-N 1 2 449.584 2.617 20 0 IFADLO CCc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164821004 720381748 /nfs/dbraw/zinc/38/17/48/720381748.db2.gz VHKCXBWVXJTGFJ-UHFFFAOYSA-N 1 2 434.997 2.771 20 0 IFADLO CCc1c(Cl)ncnc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164821004 720381755 /nfs/dbraw/zinc/38/17/55/720381755.db2.gz VHKCXBWVXJTGFJ-UHFFFAOYSA-N 1 2 434.997 2.771 20 0 IFADLO CCc1cc(CC)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164822867 720383854 /nfs/dbraw/zinc/38/38/54/720383854.db2.gz MLUUFEDLYKZEOJ-UHFFFAOYSA-N 1 2 428.606 2.680 20 0 IFADLO CCc1cc(CC)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164822867 720383864 /nfs/dbraw/zinc/38/38/64/720383864.db2.gz MLUUFEDLYKZEOJ-UHFFFAOYSA-N 1 2 428.606 2.680 20 0 IFADLO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164826405 720416794 /nfs/dbraw/zinc/41/67/94/720416794.db2.gz QFHVEBXVVLBKSB-BHIFYINESA-N 1 2 449.599 2.648 20 0 IFADLO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164826405 720416801 /nfs/dbraw/zinc/41/68/01/720416801.db2.gz QFHVEBXVVLBKSB-BHIFYINESA-N 1 2 449.599 2.648 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(Cl)cc(Cl)n1)C2 ZINC001164824918 720429986 /nfs/dbraw/zinc/42/99/86/720429986.db2.gz MLYADFMQNNTSAX-CQSZACIVSA-N 1 2 426.348 2.575 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(Cl)cc1Cl)C2 ZINC001164826209 720430847 /nfs/dbraw/zinc/43/08/47/720430847.db2.gz OUHFVTMYLLIREH-CQSZACIVSA-N 1 2 426.348 2.575 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1csc3ncnc(Cl)c13)C2 ZINC001164824648 720445323 /nfs/dbraw/zinc/44/53/23/720445323.db2.gz OREZFEBQWDOCEB-AWEZNQCLSA-N 1 2 448.980 2.531 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(C(C)(C)C)n1)C2 ZINC001164832245 720466282 /nfs/dbraw/zinc/46/62/82/720466282.db2.gz RTOVZQIRZPPWTG-INIZCTEOSA-N 1 2 448.999 2.614 20 0 IFADLO Cc1c(Cl)cnc(Cl)c1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164833137 720466892 /nfs/dbraw/zinc/46/68/92/720466892.db2.gz YYEXBPBMGAYPEG-OAHLLOKOSA-N 1 2 440.375 2.883 20 0 IFADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164874365 721219198 /nfs/dbraw/zinc/21/91/98/721219198.db2.gz UYSXPTSMLFEKMJ-UHFFFAOYSA-N 1 2 437.878 2.650 20 0 IFADLO COc1cc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc(Cl)n1 ZINC001164870144 721221624 /nfs/dbraw/zinc/22/16/24/721221624.db2.gz FVIURFFTZSDUAM-UHFFFAOYSA-N 1 2 425.867 2.954 20 0 IFADLO COC(=O)c1cc2c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)[nH]c(Cl)cc-2n1 ZINC001165008306 721709880 /nfs/dbraw/zinc/70/98/80/721709880.db2.gz DTGXDZXBHYUGDU-UHFFFAOYSA-N 1 2 431.928 2.845 20 0 IFADLO COC(=O)c1cc2c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)[nH]c(Cl)cc-2n1 ZINC001165008306 721709886 /nfs/dbraw/zinc/70/98/86/721709886.db2.gz DTGXDZXBHYUGDU-UHFFFAOYSA-N 1 2 431.928 2.845 20 0 IFADLO Fc1ccc(C(F)(F)N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1Cl ZINC001164911507 721771720 /nfs/dbraw/zinc/77/17/20/721771720.db2.gz GZKOGMPDYDDIIN-LJQANCHMSA-N 1 2 442.869 2.922 20 0 IFADLO Fc1ccc(C(F)(F)N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1Cl ZINC001164911507 721771723 /nfs/dbraw/zinc/77/17/23/721771723.db2.gz GZKOGMPDYDDIIN-LJQANCHMSA-N 1 2 442.869 2.922 20 0 IFADLO c1ccc(COc2cncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910926 721773577 /nfs/dbraw/zinc/77/35/77/721773577.db2.gz CULOFJFLUUSJTC-VWLOTQADSA-N 1 2 447.539 2.558 20 0 IFADLO c1ccc(COc2cncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910926 721773583 /nfs/dbraw/zinc/77/35/83/721773583.db2.gz CULOFJFLUUSJTC-VWLOTQADSA-N 1 2 447.539 2.558 20 0 IFADLO c1ccc(COc2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164916058 721782257 /nfs/dbraw/zinc/78/22/57/721782257.db2.gz ONZSWPGMKHKKGF-RUZDIDTESA-N 1 2 447.539 2.558 20 0 IFADLO c1ccc(COc2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164916058 721782259 /nfs/dbraw/zinc/78/22/59/721782259.db2.gz ONZSWPGMKHKKGF-RUZDIDTESA-N 1 2 447.539 2.558 20 0 IFADLO c1ccc(COc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cn2)cc1 ZINC001164914618 721791146 /nfs/dbraw/zinc/79/11/46/721791146.db2.gz FJJLDLIFPXEGMY-VWLOTQADSA-N 1 2 447.539 2.558 20 0 IFADLO c1ccc(COc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cn2)cc1 ZINC001164914618 721791147 /nfs/dbraw/zinc/79/11/47/721791147.db2.gz FJJLDLIFPXEGMY-VWLOTQADSA-N 1 2 447.539 2.558 20 0 IFADLO COc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915273 721793752 /nfs/dbraw/zinc/79/37/52/721793752.db2.gz VELNCEZOFOZPBU-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO COc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915273 721793754 /nfs/dbraw/zinc/79/37/54/721793754.db2.gz VELNCEZOFOZPBU-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO Fc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915253 721795916 /nfs/dbraw/zinc/79/59/16/721795916.db2.gz UUXJDGDXLCGWMB-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO Fc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915253 721795917 /nfs/dbraw/zinc/79/59/17/721795917.db2.gz UUXJDGDXLCGWMB-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO COC(=O)c1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ccc2c1 ZINC001164944966 721973192 /nfs/dbraw/zinc/97/31/92/721973192.db2.gz LCVNDBHSUYFUPY-UHFFFAOYSA-N 1 2 444.535 2.992 20 0 IFADLO COC(=O)c1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ccc2c1 ZINC001164944966 721973195 /nfs/dbraw/zinc/97/31/95/721973195.db2.gz LCVNDBHSUYFUPY-UHFFFAOYSA-N 1 2 444.535 2.992 20 0 IFADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc(-c2ccccn2)n1 ZINC001164947518 721978341 /nfs/dbraw/zinc/97/83/41/721978341.db2.gz PGUKWRLWAQQYHZ-UHFFFAOYSA-N 1 2 428.540 2.818 20 0 IFADLO Cc1cc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc(-c2ccccn2)n1 ZINC001164947518 721978342 /nfs/dbraw/zinc/97/83/42/721978342.db2.gz PGUKWRLWAQQYHZ-UHFFFAOYSA-N 1 2 428.540 2.818 20 0 IFADLO COc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c(C)nc2c1 ZINC001164950668 721979606 /nfs/dbraw/zinc/97/96/06/721979606.db2.gz WPBSGZXCDUDOFI-UHFFFAOYSA-N 1 2 431.540 2.918 20 0 IFADLO COc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c(C)nc2c1 ZINC001164950668 721979609 /nfs/dbraw/zinc/97/96/09/721979609.db2.gz WPBSGZXCDUDOFI-UHFFFAOYSA-N 1 2 431.540 2.918 20 0 IFADLO O=C(Nc1nncs1)c1cnc(N2CC[NH+](CCc3ccccn3)CC2)c(Cl)c1 ZINC001165056191 722018176 /nfs/dbraw/zinc/01/81/76/722018176.db2.gz ZJKFKTPNBAEZCH-UHFFFAOYSA-N 1 2 429.937 2.599 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccccc3)CC2)C1=O ZINC001164644767 719284901 /nfs/dbraw/zinc/28/49/01/719284901.db2.gz UDFYNDOYTQPNOH-UHFFFAOYSA-N 1 2 445.951 2.682 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cnc(Cl)nc3Oc3ccccc3)CC2)C1=O ZINC001164644767 719284903 /nfs/dbraw/zinc/28/49/03/719284903.db2.gz UDFYNDOYTQPNOH-UHFFFAOYSA-N 1 2 445.951 2.682 20 0 IFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)NC)nn1)CC2 ZINC001164660733 719354364 /nfs/dbraw/zinc/35/43/64/719354364.db2.gz YCSFFTBGPMTSHR-UHFFFAOYSA-N 1 2 431.544 2.531 20 0 IFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)NC)nn1)CC2 ZINC001164660733 719354367 /nfs/dbraw/zinc/35/43/67/719354367.db2.gz YCSFFTBGPMTSHR-UHFFFAOYSA-N 1 2 431.544 2.531 20 0 IFADLO CCNC(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nn1 ZINC001164658054 719354846 /nfs/dbraw/zinc/35/48/46/719354846.db2.gz CJYDOCCBOTTXMS-UHFFFAOYSA-N 1 2 445.571 2.921 20 0 IFADLO CCNC(=O)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nn1 ZINC001164658054 719354848 /nfs/dbraw/zinc/35/48/48/719354848.db2.gz CJYDOCCBOTTXMS-UHFFFAOYSA-N 1 2 445.571 2.921 20 0 IFADLO C[C@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c21 ZINC001164673935 719510581 /nfs/dbraw/zinc/51/05/81/719510581.db2.gz UIPIDKZKMLUZMW-INIZCTEOSA-N 1 2 425.508 2.933 20 0 IFADLO C[C@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c21 ZINC001164673935 719510594 /nfs/dbraw/zinc/51/05/94/719510594.db2.gz UIPIDKZKMLUZMW-INIZCTEOSA-N 1 2 425.508 2.933 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)Nc2ccccc2)ccn1 ZINC001164700582 719855766 /nfs/dbraw/zinc/85/57/66/719855766.db2.gz IDEOCPKXEGXQRL-HYBUGGRVSA-N 1 2 438.528 2.567 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(Oc2cccc(F)c2)n1 ZINC001164705097 719862091 /nfs/dbraw/zinc/86/20/91/719862091.db2.gz SUHNVJVXULXXFK-HTAPYJJXSA-N 1 2 430.480 2.641 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1OCc1ccccc1 ZINC001164707991 719867237 /nfs/dbraw/zinc/86/72/37/719867237.db2.gz XCNKWUBMRIQSRW-HYBUGGRVSA-N 1 2 425.529 2.893 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccccc2F)cc1C ZINC001164708505 719877218 /nfs/dbraw/zinc/87/72/18/719877218.db2.gz ZNFSDHWNKSNMPN-UZUQRXQVSA-N 1 2 428.508 2.824 20 0 IFADLO Cc1ccc(F)c2cc(C)c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc12 ZINC001164708437 719914619 /nfs/dbraw/zinc/91/46/19/719914619.db2.gz DAFMWHUHLGXMPN-UHFFFAOYSA-N 1 2 436.535 2.675 20 0 IFADLO CC[C@H](C)c1nc(Cl)c(C)c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708056 719935010 /nfs/dbraw/zinc/93/50/10/719935010.db2.gz AZIRKGUHPIFMNQ-AWEZNQCLSA-N 1 2 445.999 2.636 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(Cl)nc5cc[nH]c54)CC3)C2=O)cs1 ZINC001164827469 720357460 /nfs/dbraw/zinc/35/74/60/720357460.db2.gz LTCKMXAKKZDVGY-UHFFFAOYSA-N 1 2 445.980 2.689 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(Cl)nc5cc[nH]c54)CC3)C2=O)cs1 ZINC001164827469 720357465 /nfs/dbraw/zinc/35/74/65/720357465.db2.gz LTCKMXAKKZDVGY-UHFFFAOYSA-N 1 2 445.980 2.689 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(C(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164824108 720367020 /nfs/dbraw/zinc/36/70/20/720367020.db2.gz JJJXLEILWRYRBO-UHFFFAOYSA-N 1 2 428.606 2.852 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(C(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164824108 720367024 /nfs/dbraw/zinc/36/70/24/720367024.db2.gz JJJXLEILWRYRBO-UHFFFAOYSA-N 1 2 428.606 2.852 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5c(F)cccc54)CC3)C2=O)cs1 ZINC001164824860 720368485 /nfs/dbraw/zinc/36/84/85/720368485.db2.gz OUGXDKCVKYMQIS-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5c(F)cccc54)CC3)C2=O)cs1 ZINC001164824860 720368489 /nfs/dbraw/zinc/36/84/89/720368489.db2.gz OUGXDKCVKYMQIS-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ccc1Cl ZINC001164819296 720375783 /nfs/dbraw/zinc/37/57/83/720375783.db2.gz BETLRGMOXPHAEX-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ccc1Cl ZINC001164819296 720375795 /nfs/dbraw/zinc/37/57/95/720375795.db2.gz BETLRGMOXPHAEX-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(F)c5cc[nH]c54)CC3)C2=O)cs1 ZINC001164820585 720376322 /nfs/dbraw/zinc/37/63/22/720376322.db2.gz PWHVFRPWADQURE-UHFFFAOYSA-N 1 2 428.537 2.780 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(F)c5cc[nH]c54)CC3)C2=O)cs1 ZINC001164820585 720376329 /nfs/dbraw/zinc/37/63/29/720376329.db2.gz PWHVFRPWADQURE-UHFFFAOYSA-N 1 2 428.537 2.780 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cncc(OCC(C)C)n4)CC3)C2=O)cs1 ZINC001164819964 720379187 /nfs/dbraw/zinc/37/91/87/720379187.db2.gz JRWIURXZLDKNLG-UHFFFAOYSA-N 1 2 444.605 2.590 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cncc(OCC(C)C)n4)CC3)C2=O)cs1 ZINC001164819964 720379192 /nfs/dbraw/zinc/37/91/92/720379192.db2.gz JRWIURXZLDKNLG-UHFFFAOYSA-N 1 2 444.605 2.590 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5ccccn5)ncn4)CC3)C2=O)cs1 ZINC001164821188 720380754 /nfs/dbraw/zinc/38/07/54/720380754.db2.gz ZZHHGOFHHJSHJB-UHFFFAOYSA-N 1 2 449.584 2.617 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5ccccn5)ncn4)CC3)C2=O)cs1 ZINC001164821188 720380760 /nfs/dbraw/zinc/38/07/60/720380760.db2.gz ZZHHGOFHHJSHJB-UHFFFAOYSA-N 1 2 449.584 2.617 20 0 IFADLO CCc1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164824327 720384558 /nfs/dbraw/zinc/38/45/58/720384558.db2.gz QUFWIPWPMGPWSZ-UHFFFAOYSA-N 1 2 434.997 2.771 20 0 IFADLO CCc1cc(Cl)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164824327 720384564 /nfs/dbraw/zinc/38/45/64/720384564.db2.gz QUFWIPWPMGPWSZ-UHFFFAOYSA-N 1 2 434.997 2.771 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1Cl)C2 ZINC001164822813 720446011 /nfs/dbraw/zinc/44/60/11/720446011.db2.gz IKJZBGQMYXOUJU-CQSZACIVSA-N 1 2 426.348 2.575 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(C)(C)c1ccnc(Cl)c1)C2 ZINC001164832621 720484058 /nfs/dbraw/zinc/48/40/58/720484058.db2.gz KFQDTONBOXOSOG-KRWDZBQOSA-N 1 2 433.984 2.652 20 0 IFADLO COc1cc(C(F)(F)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cc(Cl)n1 ZINC001164857768 720895242 /nfs/dbraw/zinc/89/52/42/720895242.db2.gz JRHDTYUYCQDAII-UHFFFAOYSA-N 1 2 436.850 2.500 20 0 IFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)nc3c1CCC3)C2 ZINC001164860043 720896680 /nfs/dbraw/zinc/89/66/80/720896680.db2.gz RZEUHDNSTOUIQD-UHFFFAOYSA-N 1 2 446.889 2.980 20 0 IFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782137 721391659 /nfs/dbraw/zinc/39/16/59/721391659.db2.gz DFDNLRNZRUGSEV-TXEJJXNPSA-N 1 2 443.907 2.876 20 0 IFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164782137 721391663 /nfs/dbraw/zinc/39/16/63/721391663.db2.gz DFDNLRNZRUGSEV-TXEJJXNPSA-N 1 2 443.907 2.876 20 0 IFADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912332 721549894 /nfs/dbraw/zinc/54/98/94/721549894.db2.gz YWHBCIMVSOMCCX-GDBMZVCRSA-N 1 2 425.913 2.620 20 0 IFADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912332 721549899 /nfs/dbraw/zinc/54/98/99/721549899.db2.gz YWHBCIMVSOMCCX-GDBMZVCRSA-N 1 2 425.913 2.620 20 0 IFADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165009209 721711592 /nfs/dbraw/zinc/71/15/92/721711592.db2.gz RKKBAJISOAABLE-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1cnc(Cl)c(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165009209 721711601 /nfs/dbraw/zinc/71/16/01/721711601.db2.gz RKKBAJISOAABLE-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO Clc1ccc2ncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164913343 721780121 /nfs/dbraw/zinc/78/01/21/721780121.db2.gz XCMSNPTUPCYZAY-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccc2ncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164913343 721780123 /nfs/dbraw/zinc/78/01/23/721780123.db2.gz XCMSNPTUPCYZAY-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc12 ZINC001164915999 721780628 /nfs/dbraw/zinc/78/06/28/721780628.db2.gz NEJUSSJUYMPQPH-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc12 ZINC001164915999 721780631 /nfs/dbraw/zinc/78/06/31/721780631.db2.gz NEJUSSJUYMPQPH-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO c1ccc2c(c1)CCc1cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc1-2 ZINC001164916373 721791064 /nfs/dbraw/zinc/79/10/64/721791064.db2.gz QDYHMRLPVHJBES-AREMUKBSSA-N 1 2 443.551 2.745 20 0 IFADLO c1ccc2c(c1)CCc1cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc1-2 ZINC001164916373 721791067 /nfs/dbraw/zinc/79/10/67/721791067.db2.gz QDYHMRLPVHJBES-AREMUKBSSA-N 1 2 443.551 2.745 20 0 IFADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)cc(N(C)C)n2)CC1 ZINC001164918177 721813391 /nfs/dbraw/zinc/81/33/91/721813391.db2.gz PGMNKDHPNSPNME-UHFFFAOYSA-N 1 2 425.915 2.687 20 0 IFADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)cc(N(C)C)n2)CC1 ZINC001164918177 721813393 /nfs/dbraw/zinc/81/33/93/721813393.db2.gz PGMNKDHPNSPNME-UHFFFAOYSA-N 1 2 425.915 2.687 20 0 IFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3c2ncn3Cc2ccccc2F)CC1 ZINC001164917823 721817213 /nfs/dbraw/zinc/81/72/13/721817213.db2.gz IOQAIJVHUWUPQN-UHFFFAOYSA-N 1 2 446.534 2.960 20 0 IFADLO COc1cc2[nH+]c(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)ccc2c(OC)c1 ZINC001164935979 721909712 /nfs/dbraw/zinc/90/97/12/721909712.db2.gz QYPYIQVSCCMDKV-UHFFFAOYSA-N 1 2 437.544 2.857 20 0 IFADLO COc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nc(C)c2c1 ZINC001164945832 721975722 /nfs/dbraw/zinc/97/57/22/721975722.db2.gz GPWWKANVCJURLL-UHFFFAOYSA-N 1 2 431.540 2.918 20 0 IFADLO COc1ccc2nc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nc(C)c2c1 ZINC001164945832 721975724 /nfs/dbraw/zinc/97/57/24/721975724.db2.gz GPWWKANVCJURLL-UHFFFAOYSA-N 1 2 431.540 2.918 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4c(Cl)cccc4nc3Cl)CC2)C1=O ZINC001164644952 719283901 /nfs/dbraw/zinc/28/39/01/719283901.db2.gz XNOXHRPGEQCMLH-UHFFFAOYSA-N 1 2 438.359 2.696 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4c(Cl)cccc4nc3Cl)CC2)C1=O ZINC001164644952 719283906 /nfs/dbraw/zinc/28/39/06/719283906.db2.gz XNOXHRPGEQCMLH-UHFFFAOYSA-N 1 2 438.359 2.696 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1c[nH]c2nc(Cl)ccc21 ZINC001164703588 719854424 /nfs/dbraw/zinc/85/44/24/719854424.db2.gz QFFAKOAVYLTACQ-ORAYPTAESA-N 1 2 442.894 2.994 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001164708448 719865991 /nfs/dbraw/zinc/86/59/91/719865991.db2.gz ZGJBFPVWAUCCRU-HTAPYJJXSA-N 1 2 434.537 2.661 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(Oc2ccc(F)cc2)n1 ZINC001164708426 719871898 /nfs/dbraw/zinc/87/18/98/719871898.db2.gz ZDLVFDMLZYKZSL-VGSWGCGISA-N 1 2 430.480 2.641 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(C)cc(OCc2ccccc2)n1 ZINC001164707379 719875775 /nfs/dbraw/zinc/87/57/75/719875775.db2.gz RXNCXEKUPKALGM-GBXCKJPGSA-N 1 2 440.544 2.597 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(-c2cccc(F)c2)cc1C ZINC001164707630 719877587 /nfs/dbraw/zinc/87/75/87/719877587.db2.gz UQIOXAMWOIJMJW-XXBNENTESA-N 1 2 428.508 2.824 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(-c2cccc(F)c2)cc1C ZINC001164707627 719877748 /nfs/dbraw/zinc/87/77/48/719877748.db2.gz UQIOXAMWOIJMJW-AUSIDOKSSA-N 1 2 428.508 2.824 20 0 IFADLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc2cc(Cl)ccc12 ZINC001164708349 719915630 /nfs/dbraw/zinc/91/56/30/719915630.db2.gz ABPNHSGKLBGJMV-UHFFFAOYSA-N 1 2 438.963 2.880 20 0 IFADLO Cc1ccc2c(c1)cc(Cl)nc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164709198 719918034 /nfs/dbraw/zinc/91/80/34/719918034.db2.gz QJOYMXXHRPOGAG-UHFFFAOYSA-N 1 2 438.963 2.880 20 0 IFADLO Cc1c(Cl)ccc2ccc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)nc21 ZINC001164708941 719918856 /nfs/dbraw/zinc/91/88/56/719918856.db2.gz VIVNIJDRTTWGIM-UHFFFAOYSA-N 1 2 438.963 2.880 20 0 IFADLO Cc1nc(C2CCCCC2)cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708994 719919261 /nfs/dbraw/zinc/91/92/61/719919261.db2.gz WBPLVKIOUSGWDP-UHFFFAOYSA-N 1 2 437.592 2.517 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)C1 ZINC001164718527 720215430 /nfs/dbraw/zinc/21/54/30/720215430.db2.gz MWYFCAKFXMCCBD-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)C1 ZINC001164718527 720215439 /nfs/dbraw/zinc/21/54/39/720215439.db2.gz MWYFCAKFXMCCBD-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(Cl)nc5nc[nH]c54)CC3)C2=O)cs1 ZINC001164826639 720368505 /nfs/dbraw/zinc/36/85/05/720368505.db2.gz YACHJNKILKOIET-UHFFFAOYSA-N 1 2 445.980 2.689 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(Cl)nc5nc[nH]c54)CC3)C2=O)cs1 ZINC001164826639 720368508 /nfs/dbraw/zinc/36/85/08/720368508.db2.gz YACHJNKILKOIET-UHFFFAOYSA-N 1 2 445.980 2.689 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C(C)(C)C)ncn4)CC3)C2=O)cs1 ZINC001164819320 720379944 /nfs/dbraw/zinc/37/99/44/720379944.db2.gz CHSJLNRIENWZNR-UHFFFAOYSA-N 1 2 428.606 2.852 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C(C)(C)C)ncn4)CC3)C2=O)cs1 ZINC001164819320 720379951 /nfs/dbraw/zinc/37/99/51/720379951.db2.gz CHSJLNRIENWZNR-UHFFFAOYSA-N 1 2 428.606 2.852 20 0 IFADLO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164826409 720416447 /nfs/dbraw/zinc/41/64/47/720416447.db2.gz QFHVEBXVVLBKSB-VSKRKVRLSA-N 1 2 449.599 2.648 20 0 IFADLO CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164826409 720416455 /nfs/dbraw/zinc/41/64/55/720416455.db2.gz QFHVEBXVVLBKSB-VSKRKVRLSA-N 1 2 449.599 2.648 20 0 IFADLO CSc1cc(Cl)ncc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164824158 720445802 /nfs/dbraw/zinc/44/58/02/720445802.db2.gz MZMXWCOXVSVVLV-HNNXBMFYSA-N 1 2 437.997 2.643 20 0 IFADLO Cc1nc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(Cl)cc1Cl ZINC001164830693 720467263 /nfs/dbraw/zinc/46/72/63/720467263.db2.gz KVKYKIFVOSLNDF-OAHLLOKOSA-N 1 2 440.375 2.883 20 0 IFADLO Cc1c[nH]c2nc(Cl)cc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)c12 ZINC001164829704 720470180 /nfs/dbraw/zinc/47/01/80/720470180.db2.gz GTTNNPIXIVGSFV-MRXNPFEDSA-N 1 2 444.967 2.711 20 0 IFADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H](OCc5cccnc5)[C@H]5COC[C@@H]54)c3C2)cc1 ZINC001164756755 721003375 /nfs/dbraw/zinc/00/33/75/721003375.db2.gz KMYRLSLFTDSSHL-HVCNVCAESA-N 1 2 443.551 2.850 20 0 IFADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H](OCc5cccnc5)[C@H]5COC[C@@H]54)c3C2)cc1 ZINC001164756755 721003380 /nfs/dbraw/zinc/00/33/80/721003380.db2.gz KMYRLSLFTDSSHL-HVCNVCAESA-N 1 2 443.551 2.850 20 0 IFADLO FC(F)(COc1cncc(Cl)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164873073 721220089 /nfs/dbraw/zinc/22/00/89/721220089.db2.gz PPWWGRLVFBTXSS-UHFFFAOYSA-N 1 2 425.867 2.868 20 0 IFADLO CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)nc2[nH]1 ZINC001164885266 721424175 /nfs/dbraw/zinc/42/41/75/721424175.db2.gz GLIBBGYJDOHNEI-CYFREDJKSA-N 1 2 441.576 2.505 20 0 IFADLO c1cnn(C[C@@H]2Cn3ccnc3CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C2)c1 ZINC001164899137 721485797 /nfs/dbraw/zinc/48/57/97/721485797.db2.gz YHXGDOVHTAGHTC-OAQYLSRUSA-N 1 2 440.555 2.765 20 0 IFADLO c1cnn(C[C@@H]2Cn3ccnc3CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C2)c1 ZINC001164899137 721485799 /nfs/dbraw/zinc/48/57/99/721485799.db2.gz YHXGDOVHTAGHTC-OAQYLSRUSA-N 1 2 440.555 2.765 20 0 IFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)NCc1ccccc1)C2 ZINC001165009321 721696435 /nfs/dbraw/zinc/69/64/35/721696435.db2.gz OSLOKSYAWYPHKP-UHFFFAOYSA-N 1 2 433.560 2.854 20 0 IFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncccc1C(=O)NCc1ccccc1)C2 ZINC001165009321 721696439 /nfs/dbraw/zinc/69/64/39/721696439.db2.gz OSLOKSYAWYPHKP-UHFFFAOYSA-N 1 2 433.560 2.854 20 0 IFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)C2 ZINC001165008299 721713822 /nfs/dbraw/zinc/71/38/22/721713822.db2.gz DQLSGPNFPCIRBY-UHFFFAOYSA-N 1 2 435.532 2.757 20 0 IFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)C2 ZINC001165008299 721713826 /nfs/dbraw/zinc/71/38/26/721713826.db2.gz DQLSGPNFPCIRBY-UHFFFAOYSA-N 1 2 435.532 2.757 20 0 IFADLO Cc1cc(Cl)nc(C(F)(F)N2CCc3[nH+]cc(CNC(=O)c4nccn4C)n3CC2)c1 ZINC001165015599 721766322 /nfs/dbraw/zinc/76/63/22/721766322.db2.gz SJOSFROESLYQCX-UHFFFAOYSA-N 1 2 449.893 2.511 20 0 IFADLO Clc1nnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2c1CCCC2 ZINC001164912975 721780154 /nfs/dbraw/zinc/78/01/54/721780154.db2.gz SJOFUXXUZDZGBV-QFIPXVFZSA-N 1 2 429.952 2.512 20 0 IFADLO Clc1nnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2c1CCCC2 ZINC001164912975 721780156 /nfs/dbraw/zinc/78/01/56/721780156.db2.gz SJOFUXXUZDZGBV-QFIPXVFZSA-N 1 2 429.952 2.512 20 0 IFADLO Clc1cnc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164911324 721780287 /nfs/dbraw/zinc/78/02/87/721780287.db2.gz GEYVPJFBEKRQBL-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1cnc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc2c1 ZINC001164911324 721780290 /nfs/dbraw/zinc/78/02/90/721780290.db2.gz GEYVPJFBEKRQBL-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164916010 721785224 /nfs/dbraw/zinc/78/52/24/721785224.db2.gz NLHKUMFDMCWYTJ-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164916010 721785226 /nfs/dbraw/zinc/78/52/26/721785226.db2.gz NLHKUMFDMCWYTJ-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Cc1nc2c(nc(Cl)nc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)s1 ZINC001164916634 721786104 /nfs/dbraw/zinc/78/61/04/721786104.db2.gz RFOSSRZLMXHBFD-FQEVSTJZSA-N 1 2 446.964 2.551 20 0 IFADLO Cc1nc2c(nc(Cl)nc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)s1 ZINC001164916634 721786106 /nfs/dbraw/zinc/78/61/06/721786106.db2.gz RFOSSRZLMXHBFD-FQEVSTJZSA-N 1 2 446.964 2.551 20 0 IFADLO Clc1ccnc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc12 ZINC001164914061 721786523 /nfs/dbraw/zinc/78/65/23/721786523.db2.gz ANCUIYRNZNSKMR-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc12 ZINC001164914061 721786528 /nfs/dbraw/zinc/78/65/28/721786528.db2.gz ANCUIYRNZNSKMR-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO O=C1[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2CN1c1cccnc1 ZINC001165017698 721789395 /nfs/dbraw/zinc/78/93/95/721789395.db2.gz HCDSBEDPENOPRP-CTNGQTDRSA-N 1 2 426.524 2.529 20 0 IFADLO O=C1[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2CN1c1cccnc1 ZINC001165017698 721789402 /nfs/dbraw/zinc/78/94/02/721789402.db2.gz HCDSBEDPENOPRP-CTNGQTDRSA-N 1 2 426.524 2.529 20 0 IFADLO COC(=O)c1ccc2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913679 721792396 /nfs/dbraw/zinc/79/23/96/721792396.db2.gz FOFVXZDHEUBZDZ-VWLOTQADSA-N 1 2 448.523 2.524 20 0 IFADLO COC(=O)c1ccc2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913679 721792399 /nfs/dbraw/zinc/79/23/99/721792399.db2.gz FOFVXZDHEUBZDZ-VWLOTQADSA-N 1 2 448.523 2.524 20 0 IFADLO COC(=O)c1ccc2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913678 721792631 /nfs/dbraw/zinc/79/26/31/721792631.db2.gz FOFVXZDHEUBZDZ-RUZDIDTESA-N 1 2 448.523 2.524 20 0 IFADLO COC(=O)c1ccc2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2c1 ZINC001164913678 721792632 /nfs/dbraw/zinc/79/26/32/721792632.db2.gz FOFVXZDHEUBZDZ-RUZDIDTESA-N 1 2 448.523 2.524 20 0 IFADLO COc1ccccc1-c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164914986 721794474 /nfs/dbraw/zinc/79/44/74/721794474.db2.gz SPAZFMRUBXSOQM-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO COc1ccccc1-c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164914986 721794477 /nfs/dbraw/zinc/79/44/77/721794477.db2.gz SPAZFMRUBXSOQM-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO c1ccc(Cc2nccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914282 721796845 /nfs/dbraw/zinc/79/68/45/721796845.db2.gz LEWFGFRHDDMDFK-VWLOTQADSA-N 1 2 431.540 2.570 20 0 IFADLO c1ccc(Cc2nccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914282 721796850 /nfs/dbraw/zinc/79/68/50/721796850.db2.gz LEWFGFRHDDMDFK-VWLOTQADSA-N 1 2 431.540 2.570 20 0 IFADLO Fc1ccccc1-c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164913897 721797307 /nfs/dbraw/zinc/79/73/07/721797307.db2.gz IPYMGLBXXKOWHG-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO Fc1ccccc1-c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164913897 721797308 /nfs/dbraw/zinc/79/73/08/721797308.db2.gz IPYMGLBXXKOWHG-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO c1cnn(Cc2ncn3c2CN(c2ncnc4c2C[N@H+](Cc2ccccc2)CC4)CCC3)c1 ZINC001164937146 721915153 /nfs/dbraw/zinc/91/51/53/721915153.db2.gz HUZMCTQVAKYSFR-UHFFFAOYSA-N 1 2 440.555 2.887 20 0 IFADLO c1cnn(Cc2ncn3c2CN(c2ncnc4c2C[N@@H+](Cc2ccccc2)CC4)CCC3)c1 ZINC001164937146 721915157 /nfs/dbraw/zinc/91/51/57/721915157.db2.gz HUZMCTQVAKYSFR-UHFFFAOYSA-N 1 2 440.555 2.887 20 0 IFADLO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946807 721969334 /nfs/dbraw/zinc/96/93/34/721969334.db2.gz WMEDNNFGEDBUGW-KHPPLWFESA-N 1 2 434.540 2.629 20 0 IFADLO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946807 721969336 /nfs/dbraw/zinc/96/93/36/721969336.db2.gz WMEDNNFGEDBUGW-KHPPLWFESA-N 1 2 434.540 2.629 20 0 IFADLO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164945007 721976971 /nfs/dbraw/zinc/97/69/71/721976971.db2.gz ABGORPUPVOTSFD-HJWRWDBZSA-N 1 2 434.540 2.547 20 0 IFADLO COC(=O)/C=C\c1cc(C)cnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164945007 721976973 /nfs/dbraw/zinc/97/69/73/721976973.db2.gz ABGORPUPVOTSFD-HJWRWDBZSA-N 1 2 434.540 2.547 20 0 IFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164951212 721979459 /nfs/dbraw/zinc/97/94/59/721979459.db2.gz YMGGFIBSFGUTFZ-UHFFFAOYSA-N 1 2 432.503 2.649 20 0 IFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc(-c3cccc(F)c3)n1)CC2 ZINC001164951212 721979462 /nfs/dbraw/zinc/97/94/62/721979462.db2.gz YMGGFIBSFGUTFZ-UHFFFAOYSA-N 1 2 432.503 2.649 20 0 IFADLO CCOC(=O)c1c(C)ncnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164674006 719511354 /nfs/dbraw/zinc/51/13/54/719511354.db2.gz YOGZGCNKGCKXII-UHFFFAOYSA-N 1 2 428.508 2.972 20 0 IFADLO CCOC(=O)c1c(C)ncnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164674006 719511364 /nfs/dbraw/zinc/51/13/64/719511364.db2.gz YOGZGCNKGCKXII-UHFFFAOYSA-N 1 2 428.508 2.972 20 0 IFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677417 719562830 /nfs/dbraw/zinc/56/28/30/719562830.db2.gz MCNHXXTZISDUCN-UHFFFAOYSA-N 1 2 438.822 2.647 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2nc1Cl ZINC001164706420 719850999 /nfs/dbraw/zinc/85/09/99/719850999.db2.gz XKJWYDSPBPKOLW-SZNDQCEHSA-N 1 2 434.924 2.525 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2c[nH]c3ccccc32)n1 ZINC001164701483 719853123 /nfs/dbraw/zinc/85/31/23/719853123.db2.gz KRPWOJULMKPOSU-OSPHWJPCSA-N 1 2 435.528 2.858 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(F)(F)c1c[nH]c2nc(Cl)ccc21 ZINC001164703593 719854734 /nfs/dbraw/zinc/85/47/34/719854734.db2.gz QFFAKOAVYLTACQ-YJYMSZOUSA-N 1 2 442.894 2.994 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C(=O)Nc2ccccc2)ccn1 ZINC001164700584 719855981 /nfs/dbraw/zinc/85/59/81/719855981.db2.gz IDEOCPKXEGXQRL-RDPSFJRHSA-N 1 2 438.528 2.567 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(Cc2ccccc2)n1 ZINC001164705102 719863124 /nfs/dbraw/zinc/86/31/24/719863124.db2.gz SUKZPOCQJWFADY-CVDCTZTESA-N 1 2 444.963 2.954 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(OCc2ccccc2)n1 ZINC001164701896 719863165 /nfs/dbraw/zinc/86/31/65/719863165.db2.gz LVPVCFOEWJBMKN-HYBUGGRVSA-N 1 2 425.529 2.893 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccc(Cl)nc2)n1 ZINC001164702326 719876258 /nfs/dbraw/zinc/87/62/58/719876258.db2.gz IIKSVRRTSYVVNH-VGOFRKELSA-N 1 2 445.951 2.733 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(-c2cccc(F)c2)cc1C ZINC001164707629 719877638 /nfs/dbraw/zinc/87/76/38/719877638.db2.gz UQIOXAMWOIJMJW-WMZHIEFXSA-N 1 2 428.508 2.824 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(-c2ccccc2F)n1 ZINC001164702869 719877731 /nfs/dbraw/zinc/87/77/31/719877731.db2.gz JCPDILPSJFTNBC-HXOBKFHXSA-N 1 2 428.508 2.824 20 0 IFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164708916 719909698 /nfs/dbraw/zinc/90/96/98/719909698.db2.gz NDOWOJJZAGIEIH-UHFFFAOYSA-N 1 2 442.926 2.711 20 0 IFADLO CC(C)c1nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc(C(C)(C)C)n1 ZINC001164708839 719932175 /nfs/dbraw/zinc/93/21/75/719932175.db2.gz UJDYYLXBXUYVDB-UHFFFAOYSA-N 1 2 439.608 2.581 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)C1 ZINC001164717913 720218447 /nfs/dbraw/zinc/21/84/47/720218447.db2.gz KZLMXBSUCNLTPG-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccnc(Cl)c3Cl)C2)C1 ZINC001164717913 720218454 /nfs/dbraw/zinc/21/84/54/720218454.db2.gz KZLMXBSUCNLTPG-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)C1 ZINC001164720052 720219196 /nfs/dbraw/zinc/21/91/96/720219196.db2.gz VINCFXDSPSFTOV-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cnc(Cl)cc3Cl)C2)C1 ZINC001164720052 720219202 /nfs/dbraw/zinc/21/92/02/720219202.db2.gz VINCFXDSPSFTOV-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4c(Cl)cccc4nc3Cl)C2)C1 ZINC001164723274 720303759 /nfs/dbraw/zinc/30/37/59/720303759.db2.gz MZOOUHJAXVBLPS-FQEVSTJZSA-N 1 2 438.359 2.601 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4c(Cl)cccc4nc3Cl)C2)C1 ZINC001164723274 720303767 /nfs/dbraw/zinc/30/37/67/720303767.db2.gz MZOOUHJAXVBLPS-FQEVSTJZSA-N 1 2 438.359 2.601 20 0 IFADLO CCCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CCN3C)nc(C)[nH+]1 ZINC001164819975 720375284 /nfs/dbraw/zinc/37/52/84/720375284.db2.gz KFMSBPSFRNHYJP-UHFFFAOYSA-N 1 2 428.606 2.816 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc5ncc(F)cc5n4)CC3)C2=O)cs1 ZINC001164819315 720377475 /nfs/dbraw/zinc/37/74/75/720377475.db2.gz BZAJLKVUPHLJCH-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc5ncc(F)cc5n4)CC3)C2=O)cs1 ZINC001164819315 720377482 /nfs/dbraw/zinc/37/74/82/720377482.db2.gz BZAJLKVUPHLJCH-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccc(-c5ccncc5)nn4)CC3)C2=O)cs1 ZINC001164821331 720381164 /nfs/dbraw/zinc/38/11/64/720381164.db2.gz FWCWEEYJCKMFOO-UHFFFAOYSA-N 1 2 449.584 2.617 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccc(-c5ccncc5)nn4)CC3)C2=O)cs1 ZINC001164821331 720381175 /nfs/dbraw/zinc/38/11/75/720381175.db2.gz FWCWEEYJCKMFOO-UHFFFAOYSA-N 1 2 449.584 2.617 20 0 IFADLO CCCCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncn1 ZINC001164821802 720382819 /nfs/dbraw/zinc/38/28/19/720382819.db2.gz IQOWNKNZCLDPDS-UHFFFAOYSA-N 1 2 428.606 2.897 20 0 IFADLO CCCCc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncn1 ZINC001164821802 720382825 /nfs/dbraw/zinc/38/28/25/720382825.db2.gz IQOWNKNZCLDPDS-UHFFFAOYSA-N 1 2 428.606 2.897 20 0 IFADLO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164826407 720416729 /nfs/dbraw/zinc/41/67/29/720416729.db2.gz QFHVEBXVVLBKSB-FSSWDIPSSA-N 1 2 449.599 2.648 20 0 IFADLO CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164826407 720416730 /nfs/dbraw/zinc/41/67/30/720416730.db2.gz QFHVEBXVVLBKSB-FSSWDIPSSA-N 1 2 449.599 2.648 20 0 IFADLO Cc1cccc(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)c1 ZINC001164829246 720470821 /nfs/dbraw/zinc/47/08/21/720470821.db2.gz DSOBFVHKQQIAAF-OAQYLSRUSA-N 1 2 448.571 2.638 20 0 IFADLO Cc1c(Cl)nc(C(C)C)nc1N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164830459 720479308 /nfs/dbraw/zinc/47/93/08/720479308.db2.gz BROZEDIFPAAOFR-KRWDZBQOSA-N 1 2 448.999 2.748 20 0 IFADLO CCc1cc2c(ccnc2N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)o1 ZINC001164835401 720482120 /nfs/dbraw/zinc/48/21/20/720482120.db2.gz XTQZEDRXMUXKLX-QGZVFWFLSA-N 1 2 425.533 2.576 20 0 IFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164859437 720895407 /nfs/dbraw/zinc/89/54/07/720895407.db2.gz QTPBMKNSCMYVEE-UHFFFAOYSA-N 1 2 442.257 2.540 20 0 IFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)C2 ZINC001164860838 720895935 /nfs/dbraw/zinc/89/59/35/720895935.db2.gz VEBRGVGGLVJYHD-UHFFFAOYSA-N 1 2 445.861 2.973 20 0 IFADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770623 721275084 /nfs/dbraw/zinc/27/50/84/721275084.db2.gz UXLBWJQCWXQCRR-ZDUSSCGKSA-N 1 2 448.861 2.686 20 0 IFADLO COc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc(Cl)n1 ZINC001164768990 721276864 /nfs/dbraw/zinc/27/68/64/721276864.db2.gz MUNIJCDHGWYQTM-ZDUSSCGKSA-N 1 2 436.850 2.990 20 0 IFADLO COCCN1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)Cc2cccnc21 ZINC001164887437 721368192 /nfs/dbraw/zinc/36/81/92/721368192.db2.gz RGTXQKGRNKDEQR-UHFFFAOYSA-N 1 2 430.556 2.903 20 0 IFADLO COCCN1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)Cc2cccnc21 ZINC001164887437 721368194 /nfs/dbraw/zinc/36/81/94/721368194.db2.gz RGTXQKGRNKDEQR-UHFFFAOYSA-N 1 2 430.556 2.903 20 0 IFADLO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164786513 721391474 /nfs/dbraw/zinc/39/14/74/721391474.db2.gz NWCBFORLYREYNJ-TXEJJXNPSA-N 1 2 443.907 2.876 20 0 IFADLO CCOC(=O)c1cnc(C(F)(F)N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164786513 721391481 /nfs/dbraw/zinc/39/14/81/721391481.db2.gz NWCBFORLYREYNJ-TXEJJXNPSA-N 1 2 443.907 2.876 20 0 IFADLO Clc1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164912996 721778265 /nfs/dbraw/zinc/77/82/65/721778265.db2.gz STOHLHXXBKQOIB-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1nc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164912996 721778272 /nfs/dbraw/zinc/77/82/72/721778272.db2.gz STOHLHXXBKQOIB-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CCCCC2 ZINC001164914887 721780511 /nfs/dbraw/zinc/78/05/11/721780511.db2.gz GZSNRHHGAYIHEC-QHCPKHFHSA-N 1 2 443.979 2.902 20 0 IFADLO Clc1nc2c(c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CCCCC2 ZINC001164914887 721780518 /nfs/dbraw/zinc/78/05/18/721780518.db2.gz GZSNRHHGAYIHEC-QHCPKHFHSA-N 1 2 443.979 2.902 20 0 IFADLO Fc1cc(C(F)(F)N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164914895 721781079 /nfs/dbraw/zinc/78/10/79/721781079.db2.gz HELVQYRYSSWXPR-LJQANCHMSA-N 1 2 442.869 2.922 20 0 IFADLO Fc1cc(C(F)(F)N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164914895 721781084 /nfs/dbraw/zinc/78/10/84/721781084.db2.gz HELVQYRYSSWXPR-LJQANCHMSA-N 1 2 442.869 2.922 20 0 IFADLO CC(C)(C)OC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1 ZINC001164917479 721782786 /nfs/dbraw/zinc/78/27/86/721782786.db2.gz XITZHJQFVHYDMT-XMMPIXPASA-N 1 2 440.544 2.540 20 0 IFADLO CC(C)(C)OC(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1 ZINC001164917479 721782788 /nfs/dbraw/zinc/78/27/88/721782788.db2.gz XITZHJQFVHYDMT-XMMPIXPASA-N 1 2 440.544 2.540 20 0 IFADLO Clc1ccc2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2n1 ZINC001164914840 721784675 /nfs/dbraw/zinc/78/46/75/721784675.db2.gz GCWUTILVYRKSBC-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccc2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2n1 ZINC001164914840 721784680 /nfs/dbraw/zinc/78/46/80/721784680.db2.gz GCWUTILVYRKSBC-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Fc1ccccc1-c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164913898 721796886 /nfs/dbraw/zinc/79/68/86/721796886.db2.gz IPYMGLBXXKOWHG-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO Fc1ccccc1-c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164913898 721796889 /nfs/dbraw/zinc/79/68/89/721796889.db2.gz IPYMGLBXXKOWHG-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO Fc1cccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164913248 721797068 /nfs/dbraw/zinc/79/70/68/721797068.db2.gz BXIIJTOUCLUBHB-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO Fc1cccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164913248 721797071 /nfs/dbraw/zinc/79/70/71/721797071.db2.gz BXIIJTOUCLUBHB-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO Cc1nc(-c2ccncc2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164913370 721797567 /nfs/dbraw/zinc/79/75/67/721797567.db2.gz COPUBUDKHFYMMZ-RUZDIDTESA-N 1 2 446.555 2.658 20 0 IFADLO Cc1nc(-c2ccncc2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164913370 721797571 /nfs/dbraw/zinc/79/75/71/721797571.db2.gz COPUBUDKHFYMMZ-RUZDIDTESA-N 1 2 446.555 2.658 20 0 IFADLO c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4cncc(OCC5CCCC5)n4)CCO3)C2)c1 ZINC001164914338 721800519 /nfs/dbraw/zinc/80/05/19/721800519.db2.gz MACPTFZBCYFLMK-DEOSSOPVSA-N 1 2 439.560 2.548 20 0 IFADLO c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4cncc(OCC5CCCC5)n4)CCO3)C2)c1 ZINC001164914338 721800521 /nfs/dbraw/zinc/80/05/21/721800521.db2.gz MACPTFZBCYFLMK-DEOSSOPVSA-N 1 2 439.560 2.548 20 0 IFADLO Fc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1-c1ccsc1 ZINC001164915766 721800560 /nfs/dbraw/zinc/80/05/60/721800560.db2.gz ZQCPIXBPQRIJCZ-JOCHJYFZSA-N 1 2 441.532 2.847 20 0 IFADLO Fc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1-c1ccsc1 ZINC001164915766 721800562 /nfs/dbraw/zinc/80/05/62/721800562.db2.gz ZQCPIXBPQRIJCZ-JOCHJYFZSA-N 1 2 441.532 2.847 20 0 IFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(CO)ccc2NC(=O)C(C)(C)C)CC1 ZINC001164917622 721817923 /nfs/dbraw/zinc/81/79/23/721817923.db2.gz GNXNGLSCAOAGEV-UHFFFAOYSA-N 1 2 426.565 2.505 20 0 IFADLO Cc1cnc2n1CC[N@@H+](C)C21CCN([C@](F)(COc2cncc(Cl)n2)C(F)F)CC1 ZINC001164919962 721819784 /nfs/dbraw/zinc/81/97/84/721819784.db2.gz ZOLIYCTZDJGTNS-LJQANCHMSA-N 1 2 444.889 2.881 20 0 IFADLO Cc1cnc2n1CC[N@H+](C)C21CCN([C@](F)(COc2cncc(Cl)n2)C(F)F)CC1 ZINC001164919962 721819786 /nfs/dbraw/zinc/81/97/86/721819786.db2.gz ZOLIYCTZDJGTNS-LJQANCHMSA-N 1 2 444.889 2.881 20 0 IFADLO Cc1nc(CN2CCOC[C@]3(CN(c4cc(C)[nH+]c(C(C)(C)C)n4)CCO3)C2)cs1 ZINC001164925118 721832723 /nfs/dbraw/zinc/83/27/23/721832723.db2.gz YCAGXLNGBHPBHU-JOCHJYFZSA-N 1 2 431.606 2.955 20 0 IFADLO O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165040128 721907035 /nfs/dbraw/zinc/90/70/35/721907035.db2.gz ZDMLXPHNADVNTL-AWEZNQCLSA-N 1 2 430.883 2.543 20 0 IFADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N3CCNC(=O)C3(C)C)c2c1C ZINC001165051268 721994823 /nfs/dbraw/zinc/99/48/23/721994823.db2.gz FSZGUQISNRLYTA-UHFFFAOYSA-N 1 2 445.589 2.877 20 0 IFADLO CCOC(=O)Cc1cc[nH+]c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c1 ZINC001164986991 722186617 /nfs/dbraw/zinc/18/66/17/722186617.db2.gz HWAQRKPGCDSMCG-WOJBJXKFSA-N 1 2 430.574 2.822 20 0 IFADLO C[C@H]1CCCN(c2cc(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)nc[nH+]2)C1 ZINC001165007756 722269408 /nfs/dbraw/zinc/26/94/08/722269408.db2.gz XUWRCNBESXCCCH-MHECFPHRSA-N 1 2 438.551 2.780 20 0 IFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(C(=O)OC)cn1)CC2 ZINC001164663517 719345556 /nfs/dbraw/zinc/34/55/56/719345556.db2.gz JFPDHXPHQXZEKC-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(C(=O)OC)cn1)CC2 ZINC001164663517 719345560 /nfs/dbraw/zinc/34/55/60/719345560.db2.gz JFPDHXPHQXZEKC-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC)nn1)CC2 ZINC001164663012 719347047 /nfs/dbraw/zinc/34/70/47/719347047.db2.gz BZBZHBWZRGFXDU-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(=O)OC)nn1)CC2 ZINC001164663012 719347049 /nfs/dbraw/zinc/34/70/49/719347049.db2.gz BZBZHBWZRGFXDU-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(C(=O)N(C)C)n1)CC2 ZINC001164659591 719353931 /nfs/dbraw/zinc/35/39/31/719353931.db2.gz RDIZOHBZHZERCB-UHFFFAOYSA-N 1 2 445.571 2.873 20 0 IFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(C(=O)N(C)C)n1)CC2 ZINC001164659591 719353933 /nfs/dbraw/zinc/35/39/33/719353933.db2.gz RDIZOHBZHZERCB-UHFFFAOYSA-N 1 2 445.571 2.873 20 0 IFADLO C[C@@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c21 ZINC001164673936 719510173 /nfs/dbraw/zinc/51/01/73/719510173.db2.gz UIPIDKZKMLUZMW-MRXNPFEDSA-N 1 2 425.508 2.933 20 0 IFADLO C[C@@H]1CC(=O)Nc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c21 ZINC001164673936 719510179 /nfs/dbraw/zinc/51/01/79/719510179.db2.gz UIPIDKZKMLUZMW-MRXNPFEDSA-N 1 2 425.508 2.933 20 0 IFADLO O=C1NCc2c1cc(Cl)nc2N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673360 719515680 /nfs/dbraw/zinc/51/56/80/719515680.db2.gz QCEPMSVWFPEADR-UHFFFAOYSA-N 1 2 430.911 2.989 20 0 IFADLO O=C1NCc2c1cc(Cl)nc2N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673360 719515684 /nfs/dbraw/zinc/51/56/84/719515684.db2.gz QCEPMSVWFPEADR-UHFFFAOYSA-N 1 2 430.911 2.989 20 0 IFADLO COCCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164677071 719531166 /nfs/dbraw/zinc/53/11/66/719531166.db2.gz BLFYHWVKKACZPC-UHFFFAOYSA-N 1 2 443.519 2.895 20 0 IFADLO COCCOC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164677071 719531173 /nfs/dbraw/zinc/53/11/73/719531173.db2.gz BLFYHWVKKACZPC-UHFFFAOYSA-N 1 2 443.519 2.895 20 0 IFADLO O=C([C@@H]1C[C@@H]2OCC[C@H]2N(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164677857 719535754 /nfs/dbraw/zinc/53/57/54/719535754.db2.gz HNOJVBGDMWQXCR-HUVFLSCGSA-N 1 2 447.583 2.641 20 0 IFADLO O=C([C@@H]1C[C@@H]2OCC[C@H]2N(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C1)N1CCCC1 ZINC001164677857 719535759 /nfs/dbraw/zinc/53/57/59/719535759.db2.gz HNOJVBGDMWQXCR-HUVFLSCGSA-N 1 2 447.583 2.641 20 0 IFADLO COCc1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc(-c2ccccc2)n1 ZINC001164699959 719841794 /nfs/dbraw/zinc/84/17/94/719841794.db2.gz JDUVELVAWPURAT-GBXCKJPGSA-N 1 2 440.544 2.523 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(F)c(F)cc2nc1Cl ZINC001164705625 719850762 /nfs/dbraw/zinc/85/07/62/719850762.db2.gz VACWPRADEGVHDE-FKIZINRSSA-N 1 2 440.878 2.794 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(-c2c[nH]c3ccccc32)n1 ZINC001164701480 719853177 /nfs/dbraw/zinc/85/31/77/719853177.db2.gz KRPWOJULMKPOSU-MZNJEOGPSA-N 1 2 435.528 2.858 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C)nc(-c2ccc(Cl)nc2)n1 ZINC001164702324 719876117 /nfs/dbraw/zinc/87/61/17/719876117.db2.gz IIKSVRRTSYVVNH-HTAPYJJXSA-N 1 2 445.951 2.733 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C)c(-c2ccccc2F)n1 ZINC001164702873 719877607 /nfs/dbraw/zinc/87/76/07/719877607.db2.gz JCPDILPSJFTNBC-UZUQRXQVSA-N 1 2 428.508 2.824 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(-c2cccc(F)c2)cc1C ZINC001164707628 719877819 /nfs/dbraw/zinc/87/78/19/719877819.db2.gz UQIOXAMWOIJMJW-CVDCTZTESA-N 1 2 428.508 2.824 20 0 IFADLO Cc1csc2c1nc(Cl)cc2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164708865 719917652 /nfs/dbraw/zinc/91/76/52/719917652.db2.gz KYHINAWMSQXMID-UHFFFAOYSA-N 1 2 444.992 2.942 20 0 IFADLO CCCCOc1cnc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(Cl)c1 ZINC001164709131 719919290 /nfs/dbraw/zinc/91/92/90/719919290.db2.gz YWLSJUSDAHUAKS-UHFFFAOYSA-N 1 2 446.983 2.598 20 0 IFADLO Cc1cccc2cc(Cl)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c12 ZINC001164708118 719933774 /nfs/dbraw/zinc/93/37/74/719933774.db2.gz DAHQWYGTSUJZJY-UHFFFAOYSA-N 1 2 438.963 2.880 20 0 IFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164701785 720047924 /nfs/dbraw/zinc/04/79/24/720047924.db2.gz BSRNHGIUHWFCJI-UHFFFAOYSA-N 1 2 443.766 2.726 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164717249 720217871 /nfs/dbraw/zinc/21/78/71/720217871.db2.gz HIUUBPLODLZQFW-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(Cl)c3)C2)C1 ZINC001164717249 720217875 /nfs/dbraw/zinc/21/78/75/720217875.db2.gz HIUUBPLODLZQFW-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cnc(-c5ccco5)cn4)CC3)C2=O)cs1 ZINC001164824815 720367174 /nfs/dbraw/zinc/36/71/74/720367174.db2.gz MTAIABSAECOBCC-UHFFFAOYSA-N 1 2 438.557 2.815 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cnc(-c5ccco5)cn4)CC3)C2=O)cs1 ZINC001164824815 720367179 /nfs/dbraw/zinc/36/71/79/720367179.db2.gz MTAIABSAECOBCC-UHFFFAOYSA-N 1 2 438.557 2.815 20 0 IFADLO C=C(OCC)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)nn1 ZINC001164819299 720370462 /nfs/dbraw/zinc/37/04/62/720370462.db2.gz BHJNAJBPXVFWAK-UHFFFAOYSA-N 1 2 442.589 2.562 20 0 IFADLO C=C(OCC)c1ccc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)nn1 ZINC001164819299 720370467 /nfs/dbraw/zinc/37/04/67/720370467.db2.gz BHJNAJBPXVFWAK-UHFFFAOYSA-N 1 2 442.589 2.562 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5cccc(F)c54)CC3)C2=O)cs1 ZINC001164820370 720373312 /nfs/dbraw/zinc/37/33/12/720373312.db2.gz OZXHNBJXLOJTGU-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5cccc(F)c54)CC3)C2=O)cs1 ZINC001164820370 720373317 /nfs/dbraw/zinc/37/33/17/720373317.db2.gz OZXHNBJXLOJTGU-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO CCSc1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164825836 720381855 /nfs/dbraw/zinc/38/18/55/720381855.db2.gz VOXOBTIOKSVVJP-UHFFFAOYSA-N 1 2 432.619 2.667 20 0 IFADLO CCSc1cncc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164825836 720381860 /nfs/dbraw/zinc/38/18/60/720381860.db2.gz VOXOBTIOKSVVJP-UHFFFAOYSA-N 1 2 432.619 2.667 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccnc4OCC(C)C)CC3)C2=O)cs1 ZINC001164822940 720382970 /nfs/dbraw/zinc/38/29/70/720382970.db2.gz NKCFITDFLMSQJO-UHFFFAOYSA-N 1 2 444.605 2.590 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccnc4OCC(C)C)CC3)C2=O)cs1 ZINC001164822940 720382975 /nfs/dbraw/zinc/38/29/75/720382975.db2.gz NKCFITDFLMSQJO-UHFFFAOYSA-N 1 2 444.605 2.590 20 0 IFADLO FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001164825959 720399809 /nfs/dbraw/zinc/39/98/09/720399809.db2.gz AFFMUFBUSXNGOX-UHFFFAOYSA-N 1 2 429.262 2.661 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc3cc(F)ccc3n1)C2 ZINC001164825356 720447281 /nfs/dbraw/zinc/44/72/81/720447281.db2.gz RMVQXMDNJBRYGH-GOSISDBHSA-N 1 2 425.508 2.560 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3ccc(F)cc31)C2 ZINC001164822343 720454274 /nfs/dbraw/zinc/45/42/74/720454274.db2.gz DDMFFEVWRZNTMI-GOSISDBHSA-N 1 2 425.508 2.560 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)c3ccccc31)C2 ZINC001164825571 720454768 /nfs/dbraw/zinc/45/47/68/720454768.db2.gz SHVKXFMDSCLTOK-QGZVFWFLSA-N 1 2 425.508 2.560 20 0 IFADLO Cc1nc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(Cl)cc1Cl ZINC001164830691 720466451 /nfs/dbraw/zinc/46/64/51/720466451.db2.gz KVKYKIFVOSLNDF-HNNXBMFYSA-N 1 2 440.375 2.883 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3ccc(F)cc3cn1)C2 ZINC001164831740 720473356 /nfs/dbraw/zinc/47/33/56/720473356.db2.gz PEANXSHKRRSZTR-LJQANCHMSA-N 1 2 425.508 2.560 20 0 IFADLO NC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COc3cccnc3)C2)nc1Cl ZINC001164764718 721271877 /nfs/dbraw/zinc/27/18/77/721271877.db2.gz IGNCPDXMYICOLL-ZDUSSCGKSA-N 1 2 448.861 2.686 20 0 IFADLO FC(F)(COc1ccc(Cl)nn1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770661 721275128 /nfs/dbraw/zinc/27/51/28/721275128.db2.gz WKVMPQGQKGJBLS-CQSZACIVSA-N 1 2 436.850 2.904 20 0 IFADLO O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164885232 721340636 /nfs/dbraw/zinc/34/06/36/721340636.db2.gz PFPDCRNNTKIURG-BVAGGSTKSA-N 1 2 447.583 2.547 20 0 IFADLO O=C(NCC1CC1)[C@]12CCO[C@@H]1CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164885232 721340639 /nfs/dbraw/zinc/34/06/39/721340639.db2.gz PFPDCRNNTKIURG-BVAGGSTKSA-N 1 2 447.583 2.547 20 0 IFADLO CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164782136 721391200 /nfs/dbraw/zinc/39/12/00/721391200.db2.gz DFDNLRNZRUGSEV-RYUDHWBXSA-N 1 2 443.907 2.876 20 0 IFADLO COC(=O)C[C@@H](c1ccnc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1)C1CC1 ZINC001165008906 721712101 /nfs/dbraw/zinc/71/21/01/721712101.db2.gz KRJULXFQGUVLEJ-LJQANCHMSA-N 1 2 426.565 2.980 20 0 IFADLO COC(=O)C[C@@H](c1ccnc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1)C1CC1 ZINC001165008906 721712104 /nfs/dbraw/zinc/71/21/04/721712104.db2.gz KRJULXFQGUVLEJ-LJQANCHMSA-N 1 2 426.565 2.980 20 0 IFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)C2 ZINC001165008264 721713020 /nfs/dbraw/zinc/71/30/20/721713020.db2.gz DJOPUJWZRVTLLP-SFHVURJKSA-N 1 2 425.581 2.796 20 0 IFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)C2 ZINC001165008264 721713025 /nfs/dbraw/zinc/71/30/25/721713025.db2.gz DJOPUJWZRVTLLP-SFHVURJKSA-N 1 2 425.581 2.796 20 0 IFADLO c1ccc(COc2cncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910915 721773845 /nfs/dbraw/zinc/77/38/45/721773845.db2.gz CULOFJFLUUSJTC-RUZDIDTESA-N 1 2 447.539 2.558 20 0 IFADLO c1ccc(COc2cncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164910915 721773851 /nfs/dbraw/zinc/77/38/51/721773851.db2.gz CULOFJFLUUSJTC-RUZDIDTESA-N 1 2 447.539 2.558 20 0 IFADLO COc1cccc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917924 721789594 /nfs/dbraw/zinc/78/95/94/721789594.db2.gz ZZCFLEHBKSQCAH-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO COc1cccc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917924 721789598 /nfs/dbraw/zinc/78/95/98/721789598.db2.gz ZZCFLEHBKSQCAH-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO Clc1ccnc2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164916645 721791489 /nfs/dbraw/zinc/79/14/89/721791489.db2.gz RHBJARSXAZFZEC-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164916645 721791490 /nfs/dbraw/zinc/79/14/90/721791490.db2.gz RHBJARSXAZFZEC-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164916643 721791816 /nfs/dbraw/zinc/79/18/16/721791816.db2.gz RHBJARSXAZFZEC-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164916643 721791819 /nfs/dbraw/zinc/79/18/19/721791819.db2.gz RHBJARSXAZFZEC-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO COc1ccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164914989 721796403 /nfs/dbraw/zinc/79/64/03/721796403.db2.gz SPPBRUZJQCHIHC-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO COc1ccc(-c2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164914989 721796406 /nfs/dbraw/zinc/79/64/06/721796406.db2.gz SPPBRUZJQCHIHC-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncccc2C(=O)NCc2ccccc2)CC1 ZINC001164916155 721813006 /nfs/dbraw/zinc/81/30/06/721813006.db2.gz FPVXFKUZGGLLEM-UHFFFAOYSA-N 1 2 430.556 2.958 20 0 IFADLO CCOC(=O)c1cc2ncnc(N3CCC4(CC3)c3[nH+]cc(C)n3CCN4C)c2s1 ZINC001164918913 721817417 /nfs/dbraw/zinc/81/74/17/721817417.db2.gz XFCXYGNXCHLSPL-UHFFFAOYSA-N 1 2 426.546 2.814 20 0 IFADLO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164948305 721976385 /nfs/dbraw/zinc/97/63/85/721976385.db2.gz XKIBKMCIKOGAHN-UHFFFAOYSA-N 1 2 444.535 2.992 20 0 IFADLO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164948305 721976389 /nfs/dbraw/zinc/97/63/89/721976389.db2.gz XKIBKMCIKOGAHN-UHFFFAOYSA-N 1 2 444.535 2.992 20 0 IFADLO CCOCc1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946017 721977648 /nfs/dbraw/zinc/97/76/48/721977648.db2.gz IKQLLDISASXUNS-UHFFFAOYSA-N 1 2 429.952 2.638 20 0 IFADLO CCOCc1cnc(Cl)nc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946017 721977650 /nfs/dbraw/zinc/97/76/50/721977650.db2.gz IKQLLDISASXUNS-UHFFFAOYSA-N 1 2 429.952 2.638 20 0 IFADLO CC1CCN(c2ccc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)nn2)CC1 ZINC001164948353 721979089 /nfs/dbraw/zinc/97/90/89/721979089.db2.gz LDTRZAKVWMTJGQ-UHFFFAOYSA-N 1 2 434.588 2.684 20 0 IFADLO CC1CCN(c2ccc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)nn2)CC1 ZINC001164948353 721979091 /nfs/dbraw/zinc/97/90/91/721979091.db2.gz LDTRZAKVWMTJGQ-UHFFFAOYSA-N 1 2 434.588 2.684 20 0 IFADLO COC(=O)c1cc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1C ZINC001164946446 721980767 /nfs/dbraw/zinc/98/07/67/721980767.db2.gz FWCFZVJSJVMILD-UHFFFAOYSA-N 1 2 442.947 2.801 20 0 IFADLO COC(=O)c1cc(Cl)c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1C ZINC001164946446 721980769 /nfs/dbraw/zinc/98/07/69/721980769.db2.gz FWCFZVJSJVMILD-UHFFFAOYSA-N 1 2 442.947 2.801 20 0 IFADLO CCCSc1ncnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1OC ZINC001164950438 721981293 /nfs/dbraw/zinc/98/12/93/721981293.db2.gz ULUFFMQSCAPQKC-UHFFFAOYSA-N 1 2 441.601 2.958 20 0 IFADLO CCCSc1ncnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1OC ZINC001164950438 721981296 /nfs/dbraw/zinc/98/12/96/721981296.db2.gz ULUFFMQSCAPQKC-UHFFFAOYSA-N 1 2 441.601 2.958 20 0 IFADLO COc1c[nH+]c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1NC(C)C ZINC001164987568 722173312 /nfs/dbraw/zinc/17/33/12/722173312.db2.gz OGEKMNSICBGKDF-ZWKOTPCHSA-N 1 2 432.594 2.940 20 0 IFADLO CCOC(=O)Cc1cc[nH+]c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)c1 ZINC001164986989 722186587 /nfs/dbraw/zinc/18/65/87/722186587.db2.gz HWAQRKPGCDSMCG-UXHICEINSA-N 1 2 430.574 2.822 20 0 IFADLO CCOC(=O)Cc1cc[nH+]c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1 ZINC001164986990 722186594 /nfs/dbraw/zinc/18/65/94/722186594.db2.gz HWAQRKPGCDSMCG-VQTJNVASSA-N 1 2 430.574 2.822 20 0 IFADLO C[C@@H]1CCCN(c2cc(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)nc[nH+]2)C1 ZINC001165007753 722269447 /nfs/dbraw/zinc/26/94/47/722269447.db2.gz XUWRCNBESXCCCH-KOSHJBKYSA-N 1 2 438.551 2.780 20 0 IFADLO COc1ccc(CNc2nc(NCc3ccc(OC)cc3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000031909623 563083835 /nfs/dbraw/zinc/08/38/35/563083835.db2.gz ZNUCTEYILOKKFE-UHFFFAOYSA-N 1 2 436.516 2.950 20 0 IFADLO O=C(c1cccnc1N1C[C@@H]2OCC(F)(F)[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164424149 718926304 /nfs/dbraw/zinc/92/63/04/718926304.db2.gz LZTAEDFVYUZAHA-UXHICEINSA-N 1 2 428.483 2.510 20 0 IFADLO O=C(c1cccnc1N1C[C@@H]2[C@@H](C1)OCC2(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164424151 718926790 /nfs/dbraw/zinc/92/67/90/718926790.db2.gz LZTAEDFVYUZAHA-WOJBJXKFSA-N 1 2 428.483 2.510 20 0 IFADLO CCOC(=O)[C@@]12C[C@@H]1CCN2c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164621318 719040600 /nfs/dbraw/zinc/04/06/00/719040600.db2.gz IOANLNQATSTQEW-NBGIEHNGSA-N 1 2 434.540 2.572 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)C1=O ZINC001164633870 719269406 /nfs/dbraw/zinc/26/94/06/719269406.db2.gz JDBKXMOZCIOVRX-UHFFFAOYSA-N 1 2 429.952 2.556 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)C1=O ZINC001164633870 719269409 /nfs/dbraw/zinc/26/94/09/719269409.db2.gz JDBKXMOZCIOVRX-UHFFFAOYSA-N 1 2 429.952 2.556 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc4nc(Cl)cnc4cc3Cl)CC2)C1=O ZINC001164635377 719273622 /nfs/dbraw/zinc/27/36/22/719273622.db2.gz PILUGOIIRGQYKY-UHFFFAOYSA-N 1 2 438.359 2.696 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc4nc(Cl)cnc4cc3Cl)CC2)C1=O ZINC001164635377 719273623 /nfs/dbraw/zinc/27/36/23/719273623.db2.gz PILUGOIIRGQYKY-UHFFFAOYSA-N 1 2 438.359 2.696 20 0 IFADLO O=C1CCCN1[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@H]21 ZINC001164650990 719302915 /nfs/dbraw/zinc/30/29/15/719302915.db2.gz KHKUKVKDEGNNOR-QFZRFWILSA-N 1 2 447.583 2.641 20 0 IFADLO O=C1CCCN1[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@H]2CCCO[C@H]21 ZINC001164650990 719302918 /nfs/dbraw/zinc/30/29/18/719302918.db2.gz KHKUKVKDEGNNOR-QFZRFWILSA-N 1 2 447.583 2.641 20 0 IFADLO CCOC(=O)c1cnc(C)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673905 719501674 /nfs/dbraw/zinc/50/16/74/719501674.db2.gz UVQZBPWBRYKGLG-UHFFFAOYSA-N 1 2 428.508 2.972 20 0 IFADLO CCOC(=O)c1cnc(C)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673905 719501687 /nfs/dbraw/zinc/50/16/87/719501687.db2.gz UVQZBPWBRYKGLG-UHFFFAOYSA-N 1 2 428.508 2.972 20 0 IFADLO CNC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164678217 719532449 /nfs/dbraw/zinc/53/24/49/719532449.db2.gz JTJYCGLKNIWUOX-UHFFFAOYSA-N 1 2 433.915 2.500 20 0 IFADLO CNC(=O)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164678217 719532458 /nfs/dbraw/zinc/53/24/58/719532458.db2.gz JTJYCGLKNIWUOX-UHFFFAOYSA-N 1 2 433.915 2.500 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccnc1C1SCCCS1 ZINC001164703348 719848412 /nfs/dbraw/zinc/84/84/12/719848412.db2.gz QSQZLGHJQRYCRU-MGPUTAFESA-N 1 2 438.619 2.578 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2ccc(OC)cc2nc1Cl ZINC001164706417 719850302 /nfs/dbraw/zinc/85/03/02/719850302.db2.gz XKJWYDSPBPKOLW-LHSJRXKWSA-N 1 2 434.924 2.525 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc2cc(F)c(F)cc2nc1Cl ZINC001164705628 719850832 /nfs/dbraw/zinc/85/08/32/719850832.db2.gz VACWPRADEGVHDE-YUNKPMOVSA-N 1 2 440.878 2.794 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(F)(F)c1c[nH]c2nc(Cl)ccc21 ZINC001164703583 719854660 /nfs/dbraw/zinc/85/46/60/719854660.db2.gz QFFAKOAVYLTACQ-DJJJIMSYSA-N 1 2 442.894 2.994 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccccc2F)cc1C ZINC001164708504 719877326 /nfs/dbraw/zinc/87/73/26/719877326.db2.gz ZNFSDHWNKSNMPN-SBUREZEXSA-N 1 2 428.508 2.824 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccccc2F)cc1C ZINC001164708503 719877400 /nfs/dbraw/zinc/87/74/00/719877400.db2.gz ZNFSDHWNKSNMPN-HXOBKFHXSA-N 1 2 428.508 2.824 20 0 IFADLO Cc1ccc2cc(Cl)nc(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)c2c1 ZINC001164709505 719914846 /nfs/dbraw/zinc/91/48/46/719914846.db2.gz XBTWZLGIWPYHBG-UHFFFAOYSA-N 1 2 438.963 2.880 20 0 IFADLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc2c(Cl)cccc12 ZINC001164708562 719916546 /nfs/dbraw/zinc/91/65/46/719916546.db2.gz LDVWSNPGFBTBTL-UHFFFAOYSA-N 1 2 438.963 2.880 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)C1 ZINC001164719389 720248699 /nfs/dbraw/zinc/24/86/99/720248699.db2.gz LVXVXOLBOIAIPT-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C2)C1 ZINC001164719389 720248707 /nfs/dbraw/zinc/24/87/07/720248707.db2.gz LVXVXOLBOIAIPT-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cncc(Sc4cccc(C)c4)n3)C2)C1 ZINC001164721571 720275239 /nfs/dbraw/zinc/27/52/39/720275239.db2.gz LGCYRFHUNBGPLB-QHCPKHFHSA-N 1 2 441.601 2.601 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cncc(Sc4cccc(C)c4)n3)C2)C1 ZINC001164721571 720275245 /nfs/dbraw/zinc/27/52/45/720275245.db2.gz LGCYRFHUNBGPLB-QHCPKHFHSA-N 1 2 441.601 2.601 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)C1 ZINC001164725529 720308876 /nfs/dbraw/zinc/30/88/76/720308876.db2.gz WVKVSARPZJKQJA-LJQANCHMSA-N 1 2 442.938 2.520 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)C1 ZINC001164725529 720308881 /nfs/dbraw/zinc/30/88/81/720308881.db2.gz WVKVSARPZJKQJA-LJQANCHMSA-N 1 2 442.938 2.520 20 0 IFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)nc(=S)[nH]1 ZINC001164724994 720315106 /nfs/dbraw/zinc/31/51/06/720315106.db2.gz UQWURFYCJYEDCW-GFCCVEGCSA-N 1 2 430.912 2.981 20 0 IFADLO CSc1nc(C)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164826522 720358602 /nfs/dbraw/zinc/35/86/02/720358602.db2.gz WQZBJVDZXFYTKR-UHFFFAOYSA-N 1 2 432.619 2.585 20 0 IFADLO CSc1nc(C)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164826522 720358605 /nfs/dbraw/zinc/35/86/05/720358605.db2.gz WQZBJVDZXFYTKR-UHFFFAOYSA-N 1 2 432.619 2.585 20 0 IFADLO Cc1nc(CN2CCN(C)C3(CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)C2=O)cs1 ZINC001164820766 720379092 /nfs/dbraw/zinc/37/90/92/720379092.db2.gz UIWWDKQREUMTTR-UHFFFAOYSA-N 1 2 428.606 2.987 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc(C)cc(C(C)C)n4)CC3)C2=O)cs1 ZINC001164825341 720384191 /nfs/dbraw/zinc/38/41/91/720384191.db2.gz VBRFQVVXJWQSBP-UHFFFAOYSA-N 1 2 428.606 2.987 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc(C)cc(C(C)C)n4)CC3)C2=O)cs1 ZINC001164825341 720384198 /nfs/dbraw/zinc/38/41/98/720384198.db2.gz VBRFQVVXJWQSBP-UHFFFAOYSA-N 1 2 428.606 2.987 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)ccc1Cl)C2 ZINC001164822812 720445523 /nfs/dbraw/zinc/44/55/23/720445523.db2.gz IKJZBGQMYXOUJU-AWEZNQCLSA-N 1 2 426.348 2.575 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3cc(F)ccc3n1)C2 ZINC001164825357 720446600 /nfs/dbraw/zinc/44/66/00/720446600.db2.gz RMVQXMDNJBRYGH-SFHVURJKSA-N 1 2 425.508 2.560 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1c(Cl)ccnc1Cl)C2 ZINC001164823430 720449015 /nfs/dbraw/zinc/44/90/15/720449015.db2.gz JRWBBGACCPQPHB-CQSZACIVSA-N 1 2 426.348 2.575 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncc(F)c3ccccc31)C2 ZINC001164825568 720454706 /nfs/dbraw/zinc/45/47/06/720454706.db2.gz SHVKXFMDSCLTOK-KRWDZBQOSA-N 1 2 425.508 2.560 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc3cccc(F)c3n1)C2 ZINC001164833234 720466966 /nfs/dbraw/zinc/46/69/66/720466966.db2.gz ZLFLJBJMQRRJAG-SFHVURJKSA-N 1 2 425.508 2.560 20 0 IFADLO CCc1cc2c(ccnc2N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)o1 ZINC001164835399 720482043 /nfs/dbraw/zinc/48/20/43/720482043.db2.gz XTQZEDRXMUXKLX-KRWDZBQOSA-N 1 2 425.533 2.576 20 0 IFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001164856903 720895153 /nfs/dbraw/zinc/89/51/53/720895153.db2.gz HWVBERDJXVYQAX-UHFFFAOYSA-N 1 2 442.257 2.540 20 0 IFADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165010495 721705511 /nfs/dbraw/zinc/70/55/11/721705511.db2.gz JIPVKVHABKOCCH-UHFFFAOYSA-N 1 2 442.351 2.802 20 0 IFADLO CCOC(=O)c1nc(Cl)nc(Cl)c1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165010495 721705518 /nfs/dbraw/zinc/70/55/18/721705518.db2.gz JIPVKVHABKOCCH-UHFFFAOYSA-N 1 2 442.351 2.802 20 0 IFADLO Clc1cccc2ncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc12 ZINC001164913587 721774683 /nfs/dbraw/zinc/77/46/83/721774683.db2.gz XZVVVUOFLMKPPS-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1cccc2ncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc12 ZINC001164913587 721774687 /nfs/dbraw/zinc/77/46/87/721774687.db2.gz XZVVVUOFLMKPPS-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1cccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cnc12 ZINC001164912662 721777790 /nfs/dbraw/zinc/77/77/90/721777790.db2.gz OCAGHEQVIOVYNV-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1cccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cnc12 ZINC001164912662 721777792 /nfs/dbraw/zinc/77/77/92/721777792.db2.gz OCAGHEQVIOVYNV-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Fc1ccc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164917641 721780990 /nfs/dbraw/zinc/78/09/90/721780990.db2.gz YQQOSGDBWRBFBL-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO Fc1ccc(-c2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164917641 721780997 /nfs/dbraw/zinc/78/09/97/721780997.db2.gz YQQOSGDBWRBFBL-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO CCc1c(Cl)nnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1CC ZINC001164914430 721783808 /nfs/dbraw/zinc/78/38/08/721783808.db2.gz DDMJZXRJAPTHFT-JOCHJYFZSA-N 1 2 431.968 2.758 20 0 IFADLO CCc1c(Cl)nnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1CC ZINC001164914430 721783815 /nfs/dbraw/zinc/78/38/15/721783815.db2.gz DDMJZXRJAPTHFT-JOCHJYFZSA-N 1 2 431.968 2.758 20 0 IFADLO COC(=O)c1cc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915156 721788907 /nfs/dbraw/zinc/78/89/07/721788907.db2.gz IVSKYPGAIQBWMQ-RUZDIDTESA-N 1 2 448.523 2.524 20 0 IFADLO COC(=O)c1cc2ccccc2nc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915156 721788908 /nfs/dbraw/zinc/78/89/08/721788908.db2.gz IVSKYPGAIQBWMQ-RUZDIDTESA-N 1 2 448.523 2.524 20 0 IFADLO COc1cccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914027 721794617 /nfs/dbraw/zinc/79/46/17/721794617.db2.gz KDRKLZREQHOERG-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO COc1cccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914027 721794619 /nfs/dbraw/zinc/79/46/19/721794619.db2.gz KDRKLZREQHOERG-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO Fc1ccc(-c2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164915247 721796041 /nfs/dbraw/zinc/79/60/41/721796041.db2.gz USDNPLIWXMSMBP-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO Fc1ccc(-c2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164915247 721796044 /nfs/dbraw/zinc/79/60/44/721796044.db2.gz USDNPLIWXMSMBP-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO Cc1nc(-c2ccccn2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1C ZINC001164914321 721797642 /nfs/dbraw/zinc/79/76/42/721797642.db2.gz LRHSGOVKYXHBFW-VWLOTQADSA-N 1 2 446.555 2.658 20 0 IFADLO Cc1nc(-c2ccccn2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1C ZINC001164914321 721797645 /nfs/dbraw/zinc/79/76/45/721797645.db2.gz LRHSGOVKYXHBFW-VWLOTQADSA-N 1 2 446.555 2.658 20 0 IFADLO Fc1ccc(-c2cncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914288 721800466 /nfs/dbraw/zinc/80/04/66/721800466.db2.gz LGCPYUBTXLDTEU-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO Fc1ccc(-c2cncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)cc1 ZINC001164914288 721800469 /nfs/dbraw/zinc/80/04/69/721800469.db2.gz LGCPYUBTXLDTEU-XMMPIXPASA-N 1 2 435.503 2.786 20 0 IFADLO Cc1nc(CN2CCOC[C@]3(CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CCO3)C2)cs1 ZINC001164926795 721834105 /nfs/dbraw/zinc/83/41/05/721834105.db2.gz SBFXOJGKFRHRSI-HSZRJFAPSA-N 1 2 439.585 2.924 20 0 IFADLO CCOc1ccc(NS(=O)(=O)c2cccnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC001165037636 721914999 /nfs/dbraw/zinc/91/49/99/721914999.db2.gz HQLRYCDQARWBCF-FQEVSTJZSA-N 1 2 446.573 2.582 20 0 IFADLO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946809 721969541 /nfs/dbraw/zinc/96/95/41/721969541.db2.gz WMEDNNFGEDBUGW-ZHACJKMWSA-N 1 2 434.540 2.629 20 0 IFADLO CCOC(=O)/C=C/c1cccnc1N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946809 721969543 /nfs/dbraw/zinc/96/95/43/721969543.db2.gz WMEDNNFGEDBUGW-ZHACJKMWSA-N 1 2 434.540 2.629 20 0 IFADLO CCOC(=O)c1sc2nc(C[NH+]3CCCCC3)nc(N(CC)CCC(N)=O)c2c1C ZINC001165048406 721984264 /nfs/dbraw/zinc/98/42/64/721984264.db2.gz WGXJOIUFGSESAE-UHFFFAOYSA-N 1 2 433.578 2.864 20 0 IFADLO CCOC(=O)c1cnc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)nc1Cl ZINC001165053786 722008948 /nfs/dbraw/zinc/00/89/48/722008948.db2.gz KUZHYHJEJPWLAZ-UHFFFAOYSA-N 1 2 425.867 2.611 20 0 IFADLO O=C(c1ccco1)N1CC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164960370 722046579 /nfs/dbraw/zinc/04/65/79/722046579.db2.gz VKNBGDRIFYJRGJ-UGKGYDQZSA-N 1 2 429.524 2.979 20 0 IFADLO O=C(c1ccco1)N1CC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]21 ZINC001164960370 722046581 /nfs/dbraw/zinc/04/65/81/722046581.db2.gz VKNBGDRIFYJRGJ-UGKGYDQZSA-N 1 2 429.524 2.979 20 0 IFADLO O=C(c1ccco1)N1CC[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164960364 722046601 /nfs/dbraw/zinc/04/66/01/722046601.db2.gz VKNBGDRIFYJRGJ-DENIHFKCSA-N 1 2 429.524 2.979 20 0 IFADLO O=C(c1ccco1)N1CC[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164960364 722046602 /nfs/dbraw/zinc/04/66/02/722046602.db2.gz VKNBGDRIFYJRGJ-DENIHFKCSA-N 1 2 429.524 2.979 20 0 IFADLO COc1c[nH+]c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)nc1NC(C)C ZINC001164987566 722173404 /nfs/dbraw/zinc/17/34/04/722173404.db2.gz OGEKMNSICBGKDF-ROUUACIJSA-N 1 2 432.594 2.940 20 0 IFADLO c1ccc2c(c1)CCN(c1nc(N3CCOCC3)[nH+]c(N3CCc4ccccc4C3)n1)C2 ZINC000058602915 563145798 /nfs/dbraw/zinc/14/57/98/563145798.db2.gz DVGQWRBWTGLYPF-UHFFFAOYSA-N 1 2 428.540 2.834 20 0 IFADLO c1ccc2c(c1)CCN(c1nc(N3CCOCC3)nc(N3CCc4ccccc4C3)[nH+]1)C2 ZINC000058602915 563145800 /nfs/dbraw/zinc/14/58/00/563145800.db2.gz DVGQWRBWTGLYPF-UHFFFAOYSA-N 1 2 428.540 2.834 20 0 IFADLO CCOC(=O)[C@]12C[C@H]1CCN2c1ncccc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164621321 719040711 /nfs/dbraw/zinc/04/07/11/719040711.db2.gz IOANLNQATSTQEW-NLFFAJNJSA-N 1 2 434.540 2.572 20 0 IFADLO O=C1CCCN1[C@@H]1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@@H]12 ZINC001164650993 719302827 /nfs/dbraw/zinc/30/28/27/719302827.db2.gz KHKUKVKDEGNNOR-QUURXOELSA-N 1 2 447.583 2.641 20 0 IFADLO O=C1CCCN1[C@@H]1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)C[C@@H]2CCCO[C@@H]12 ZINC001164650993 719302829 /nfs/dbraw/zinc/30/28/29/719302829.db2.gz KHKUKVKDEGNNOR-QUURXOELSA-N 1 2 447.583 2.641 20 0 IFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncncc1C(=O)OC)CC2 ZINC001164660555 719350693 /nfs/dbraw/zinc/35/06/93/719350693.db2.gz VCJNZXDAPKDTKL-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncncc1C(=O)OC)CC2 ZINC001164660555 719350695 /nfs/dbraw/zinc/35/06/95/719350695.db2.gz VCJNZXDAPKDTKL-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)cc1OC ZINC001164672331 719496222 /nfs/dbraw/zinc/49/62/22/719496222.db2.gz LCMNNXCCUOHBNH-UHFFFAOYSA-N 1 2 429.492 2.887 20 0 IFADLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)cc1OC ZINC001164672331 719496227 /nfs/dbraw/zinc/49/62/27/719496227.db2.gz LCMNNXCCUOHBNH-UHFFFAOYSA-N 1 2 429.492 2.887 20 0 IFADLO COC(=O)c1nc(Cl)cnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673363 719510547 /nfs/dbraw/zinc/51/05/47/719510547.db2.gz QDTJQXHMBOHPPJ-UHFFFAOYSA-N 1 2 434.899 2.927 20 0 IFADLO COC(=O)c1nc(Cl)cnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673363 719510556 /nfs/dbraw/zinc/51/05/56/719510556.db2.gz QDTJQXHMBOHPPJ-UHFFFAOYSA-N 1 2 434.899 2.927 20 0 IFADLO O=c1ccccn1-c1nccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673413 719525220 /nfs/dbraw/zinc/52/52/20/719525220.db2.gz SMYJOEAYOULHRC-UHFFFAOYSA-N 1 2 435.503 2.638 20 0 IFADLO O=c1ccccn1-c1nccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673413 719525223 /nfs/dbraw/zinc/52/52/23/719525223.db2.gz SMYJOEAYOULHRC-UHFFFAOYSA-N 1 2 435.503 2.638 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccnc1C1SCCCS1 ZINC001164703347 719848757 /nfs/dbraw/zinc/84/87/57/719848757.db2.gz QSQZLGHJQRYCRU-FOIQADDNSA-N 1 2 438.619 2.578 20 0 IFADLO CCOC(=O)c1cc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc2ccccc21 ZINC001164705567 719853195 /nfs/dbraw/zinc/85/31/95/719853195.db2.gz UGOJTYBTSGUKSY-OSPHWJPCSA-N 1 2 441.528 2.644 20 0 IFADLO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164703635 719861191 /nfs/dbraw/zinc/86/11/91/719861191.db2.gz QHXQFXZNLURRAD-MHECFPHRSA-N 1 2 441.528 2.644 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(Cc2ccccc2)n1 ZINC001164705101 719863015 /nfs/dbraw/zinc/86/30/15/719863015.db2.gz SUKZPOCQJWFADY-AUSIDOKSSA-N 1 2 444.963 2.954 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(Oc2cccc(F)c2)n1 ZINC001164699866 719863874 /nfs/dbraw/zinc/86/38/74/719863874.db2.gz CKPRZAHPMAHOJM-HTAPYJJXSA-N 1 2 430.480 2.641 20 0 IFADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nnc(-c2ccccc2F)cc1C ZINC001164708502 719877119 /nfs/dbraw/zinc/87/71/19/719877119.db2.gz ZNFSDHWNKSNMPN-GAJHUEQPSA-N 1 2 428.508 2.824 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)C1 ZINC001164718927 720218397 /nfs/dbraw/zinc/21/83/97/720218397.db2.gz PCEMCEWJQUEDBT-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)cnc3Cl)C2)C1 ZINC001164718927 720218400 /nfs/dbraw/zinc/21/84/00/720218400.db2.gz PCEMCEWJQUEDBT-QGZVFWFLSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)C1 ZINC001164725528 720307945 /nfs/dbraw/zinc/30/79/45/720307945.db2.gz WVKVSARPZJKQJA-IBGZPJMESA-N 1 2 442.938 2.520 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C2)C1 ZINC001164725528 720307952 /nfs/dbraw/zinc/30/79/52/720307952.db2.gz WVKVSARPZJKQJA-IBGZPJMESA-N 1 2 442.938 2.520 20 0 IFADLO COc1nc(Cl)ncc1C(F)(F)N1CCc2c([nH+]cn2C(C)C)[C@@H]1CNC(C)=O ZINC001164723431 720315665 /nfs/dbraw/zinc/31/56/65/720315665.db2.gz OUDAIWTVJHDWNN-AWEZNQCLSA-N 1 2 428.871 2.701 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncnc5ccsc54)CC3)C2=O)cs1 ZINC001164823197 720357939 /nfs/dbraw/zinc/35/79/39/720357939.db2.gz BSZPVWCLACGODJ-UHFFFAOYSA-N 1 2 428.587 2.769 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncnc5ccsc54)CC3)C2=O)cs1 ZINC001164823197 720357948 /nfs/dbraw/zinc/35/79/48/720357948.db2.gz BSZPVWCLACGODJ-UHFFFAOYSA-N 1 2 428.587 2.769 20 0 IFADLO COc1cc(Cl)ncc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164823309 720366234 /nfs/dbraw/zinc/36/62/34/720366234.db2.gz DMUQWMHFXAPHIN-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO COc1cc(Cl)ncc1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164823309 720366240 /nfs/dbraw/zinc/36/62/40/720366240.db2.gz DMUQWMHFXAPHIN-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO COc1cc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164824789 720367835 /nfs/dbraw/zinc/36/78/35/720367835.db2.gz LFSLFVHZPINAJK-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO COc1cc(Cl)cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164824789 720367839 /nfs/dbraw/zinc/36/78/39/720367839.db2.gz LFSLFVHZPINAJK-UHFFFAOYSA-N 1 2 435.981 2.822 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(OC(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819335 720371322 /nfs/dbraw/zinc/37/13/22/720371322.db2.gz CYWIZYPABNATAY-UHFFFAOYSA-N 1 2 444.605 2.732 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(OC(C)(C)C)n4)CC3)C2=O)cs1 ZINC001164819335 720371330 /nfs/dbraw/zinc/37/13/30/720371330.db2.gz CYWIZYPABNATAY-UHFFFAOYSA-N 1 2 444.605 2.732 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ccnc(-c5cccnc5)n4)CC3)C2=O)cs1 ZINC001164820173 720372953 /nfs/dbraw/zinc/37/29/53/720372953.db2.gz LTYCHCOMRFSPEY-UHFFFAOYSA-N 1 2 449.584 2.617 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ccnc(-c5cccnc5)n4)CC3)C2=O)cs1 ZINC001164820173 720372957 /nfs/dbraw/zinc/37/29/57/720372957.db2.gz LTYCHCOMRFSPEY-UHFFFAOYSA-N 1 2 449.584 2.617 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5nc[nH]c5cc4Cl)CC3)C2=O)cs1 ZINC001164819688 720373234 /nfs/dbraw/zinc/37/32/34/720373234.db2.gz FXHODBAAAVTDNP-UHFFFAOYSA-N 1 2 445.980 2.689 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5nc[nH]c5cc4Cl)CC3)C2=O)cs1 ZINC001164819688 720373245 /nfs/dbraw/zinc/37/32/45/720373245.db2.gz FXHODBAAAVTDNP-UHFFFAOYSA-N 1 2 445.980 2.689 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)c5ccoc54)CC3)C2=O)cs1 ZINC001164820675 720374157 /nfs/dbraw/zinc/37/41/57/720374157.db2.gz QNSUMUHQSZPVAN-UHFFFAOYSA-N 1 2 446.964 2.954 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)c5ccoc54)CC3)C2=O)cs1 ZINC001164820675 720374162 /nfs/dbraw/zinc/37/41/62/720374162.db2.gz QNSUMUHQSZPVAN-UHFFFAOYSA-N 1 2 446.964 2.954 20 0 IFADLO Clc1ccc(OC(Cl)(Cl)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cn1 ZINC001164828646 720398834 /nfs/dbraw/zinc/39/88/34/720398834.db2.gz JWCICFITJCRNLS-UHFFFAOYSA-N 1 2 428.711 2.945 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nc(Cl)cc(C(C)(C)C)n1)C2 ZINC001164832246 720466681 /nfs/dbraw/zinc/46/66/81/720466681.db2.gz RTOVZQIRZPPWTG-MRXNPFEDSA-N 1 2 448.999 2.614 20 0 IFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(C3CC3)nnc1Cl)C2 ZINC001164860093 720895901 /nfs/dbraw/zinc/89/59/01/720895901.db2.gz SCVROWRLPWHNRU-UHFFFAOYSA-N 1 2 447.877 2.764 20 0 IFADLO NC(=O)c1cc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758936 720979548 /nfs/dbraw/zinc/97/95/48/720979548.db2.gz XFHMTKYWTGGOSZ-ZDUSSCGKSA-N 1 2 425.867 2.638 20 0 IFADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H](OCc5cccnc5)[C@H]5COC[C@H]54)c3C2)cc1 ZINC001164756753 721003740 /nfs/dbraw/zinc/00/37/40/721003740.db2.gz KMYRLSLFTDSSHL-CAOCKLPOSA-N 1 2 443.551 2.850 20 0 IFADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H](OCc5cccnc5)[C@H]5COC[C@H]54)c3C2)cc1 ZINC001164756753 721003749 /nfs/dbraw/zinc/00/37/49/721003749.db2.gz KMYRLSLFTDSSHL-CAOCKLPOSA-N 1 2 443.551 2.850 20 0 IFADLO CCN1C(=O)[C@]2(CC[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]32)N=C1C ZINC001164869517 721227144 /nfs/dbraw/zinc/22/71/44/721227144.db2.gz CPNLIFNZQUZGFO-UNIVCBNLSA-N 1 2 444.583 2.900 20 0 IFADLO CCN1C(=O)[C@]2(CC[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]32)N=C1C ZINC001164869517 721227149 /nfs/dbraw/zinc/22/71/49/721227149.db2.gz CPNLIFNZQUZGFO-UNIVCBNLSA-N 1 2 444.583 2.900 20 0 IFADLO COc1nc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767115 721275725 /nfs/dbraw/zinc/27/57/25/721275725.db2.gz GMJYZGJVRKFGDW-ZDUSSCGKSA-N 1 2 436.850 2.990 20 0 IFADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912337 721550366 /nfs/dbraw/zinc/55/03/66/721550366.db2.gz YWHBCIMVSOMCCX-ZBFHGGJFSA-N 1 2 425.913 2.620 20 0 IFADLO CS(=O)(=O)c1ccc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912337 721550367 /nfs/dbraw/zinc/55/03/67/721550367.db2.gz YWHBCIMVSOMCCX-ZBFHGGJFSA-N 1 2 425.913 2.620 20 0 IFADLO COC(=O)c1cc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cnc1Cl ZINC001165010860 721700126 /nfs/dbraw/zinc/70/01/26/721700126.db2.gz NXHGMSNUDMPBCK-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1cc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cnc1Cl ZINC001165010860 721700134 /nfs/dbraw/zinc/70/01/34/721700134.db2.gz NXHGMSNUDMPBCK-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165011459 721705711 /nfs/dbraw/zinc/70/57/11/721705711.db2.gz TUJLTVYEPINOGI-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO COC(=O)c1cc(Cl)nc(C(F)(F)N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165011459 721705714 /nfs/dbraw/zinc/70/57/14/721705714.db2.gz TUJLTVYEPINOGI-UHFFFAOYSA-N 1 2 442.898 2.909 20 0 IFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3c1ncn3Cc1ccccc1F)C2 ZINC001165008312 721707238 /nfs/dbraw/zinc/70/72/38/721707238.db2.gz DWTRSEDVXIXOSI-UHFFFAOYSA-N 1 2 449.538 2.856 20 0 IFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3c1ncn3Cc1ccccc1F)C2 ZINC001165008312 721707245 /nfs/dbraw/zinc/70/72/45/721707245.db2.gz DWTRSEDVXIXOSI-UHFFFAOYSA-N 1 2 449.538 2.856 20 0 IFADLO Fc1cc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164914894 721780639 /nfs/dbraw/zinc/78/06/39/721780639.db2.gz HELVQYRYSSWXPR-IBGZPJMESA-N 1 2 442.869 2.922 20 0 IFADLO Fc1cc(C(F)(F)N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cnc1Cl ZINC001164914894 721780640 /nfs/dbraw/zinc/78/06/40/721780640.db2.gz HELVQYRYSSWXPR-IBGZPJMESA-N 1 2 442.869 2.922 20 0 IFADLO Clc1ccc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164917022 721787007 /nfs/dbraw/zinc/78/70/07/721787007.db2.gz VXSBHQLMZHMKBT-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164917022 721787012 /nfs/dbraw/zinc/78/70/12/721787012.db2.gz VXSBHQLMZHMKBT-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164917021 721787171 /nfs/dbraw/zinc/78/71/71/721787171.db2.gz VXSBHQLMZHMKBT-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164917021 721787174 /nfs/dbraw/zinc/78/71/74/721787174.db2.gz VXSBHQLMZHMKBT-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2cnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc12 ZINC001164917529 721787984 /nfs/dbraw/zinc/78/79/84/721787984.db2.gz XZLDMLNRABMIFU-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2cnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc12 ZINC001164917529 721787989 /nfs/dbraw/zinc/78/79/89/721787989.db2.gz XZLDMLNRABMIFU-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO COC(=O)c1cc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915157 721788588 /nfs/dbraw/zinc/78/85/88/721788588.db2.gz IVSKYPGAIQBWMQ-VWLOTQADSA-N 1 2 448.523 2.524 20 0 IFADLO COC(=O)c1cc2ccccc2nc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915157 721788593 /nfs/dbraw/zinc/78/85/93/721788593.db2.gz IVSKYPGAIQBWMQ-VWLOTQADSA-N 1 2 448.523 2.524 20 0 IFADLO COc1cccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914026 721794989 /nfs/dbraw/zinc/79/49/89/721794989.db2.gz KDRKLZREQHOERG-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO COc1cccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)c1 ZINC001164914026 721794991 /nfs/dbraw/zinc/79/49/91/721794991.db2.gz KDRKLZREQHOERG-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO Cc1nc(C2CC2)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915677 721796050 /nfs/dbraw/zinc/79/60/50/721796050.db2.gz XMFMXODXSCSOSF-QFIPXVFZSA-N 1 2 429.952 2.819 20 0 IFADLO Cc1nc(C2CC2)nc(Cl)c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915677 721796051 /nfs/dbraw/zinc/79/60/51/721796051.db2.gz XMFMXODXSCSOSF-QFIPXVFZSA-N 1 2 429.952 2.819 20 0 IFADLO Fc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915252 721796413 /nfs/dbraw/zinc/79/64/13/721796413.db2.gz UUXJDGDXLCGWMB-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO Fc1ccc(-c2ccc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915252 721796418 /nfs/dbraw/zinc/79/64/18/721796418.db2.gz UUXJDGDXLCGWMB-DEOSSOPVSA-N 1 2 435.503 2.786 20 0 IFADLO Fc1cc2ncc(Cl)nc2cc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164915605 721796594 /nfs/dbraw/zinc/79/65/94/721796594.db2.gz WZNIBNGORIHUDI-JOCHJYFZSA-N 1 2 443.910 2.925 20 0 IFADLO Fc1cc2ncc(Cl)nc2cc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164915605 721796600 /nfs/dbraw/zinc/79/66/00/721796600.db2.gz WZNIBNGORIHUDI-JOCHJYFZSA-N 1 2 443.910 2.925 20 0 IFADLO Clc1nc2c(nc1N1CCO[C@@]3(C1)COCC[N@H+](Cc1cccnc1)C3)CCCC2 ZINC001164914429 721800897 /nfs/dbraw/zinc/80/08/97/721800897.db2.gz NGCQFIFNQVWGQP-QFIPXVFZSA-N 1 2 429.952 2.512 20 0 IFADLO Clc1nc2c(nc1N1CCO[C@@]3(C1)COCC[N@@H+](Cc1cccnc1)C3)CCCC2 ZINC001164914429 721800899 /nfs/dbraw/zinc/80/08/99/721800899.db2.gz NGCQFIFNQVWGQP-QFIPXVFZSA-N 1 2 429.952 2.512 20 0 IFADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(N(C)C)nc(Cl)n2)CC1 ZINC001164919179 721821283 /nfs/dbraw/zinc/82/12/83/721821283.db2.gz NZHRFOIMUWIQRF-UHFFFAOYSA-N 1 2 425.915 2.687 20 0 IFADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(N(C)C)nc(Cl)n2)CC1 ZINC001164919179 721821285 /nfs/dbraw/zinc/82/12/85/721821285.db2.gz NZHRFOIMUWIQRF-UHFFFAOYSA-N 1 2 425.915 2.687 20 0 IFADLO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]ccc5c6c([nH]c54)CCC6)CCO3)C2)cs1 ZINC001164926801 721834194 /nfs/dbraw/zinc/83/41/94/721834194.db2.gz SBFXOJGKFRHRSI-QHCPKHFHSA-N 1 2 439.585 2.924 20 0 IFADLO COc1cc2cc[nH+]c(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)c2cc1F ZINC001164936674 721909575 /nfs/dbraw/zinc/90/95/75/721909575.db2.gz ZUYJENDEXLCWHV-UHFFFAOYSA-N 1 2 425.508 2.987 20 0 IFADLO CC(C)(C)NC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1 ZINC001164946699 721977209 /nfs/dbraw/zinc/97/72/09/721977209.db2.gz KGBWKLDGUDIQAR-UHFFFAOYSA-N 1 2 435.572 2.581 20 0 IFADLO CC(C)(C)NC(=O)c1ccnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1 ZINC001164946699 721977215 /nfs/dbraw/zinc/97/72/15/721977215.db2.gz KGBWKLDGUDIQAR-UHFFFAOYSA-N 1 2 435.572 2.581 20 0 IFADLO C=Cc1nc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1OC ZINC001164946966 721977481 /nfs/dbraw/zinc/97/74/81/721977481.db2.gz MOLBUISTXWZLKZ-UHFFFAOYSA-N 1 2 427.936 2.753 20 0 IFADLO C=Cc1nc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1OC ZINC001164946966 721977485 /nfs/dbraw/zinc/97/74/85/721977485.db2.gz MOLBUISTXWZLKZ-UHFFFAOYSA-N 1 2 427.936 2.753 20 0 IFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164949345 721981321 /nfs/dbraw/zinc/98/13/21/721981321.db2.gz OXVGKAFMDKQYRW-UHFFFAOYSA-N 1 2 425.964 2.980 20 0 IFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc3c(nc1Cl)CCCC3)CC2 ZINC001164949345 721981324 /nfs/dbraw/zinc/98/13/24/721981324.db2.gz OXVGKAFMDKQYRW-UHFFFAOYSA-N 1 2 425.964 2.980 20 0 IFADLO Cc1noc(C[C@@H]2C[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164957370 722040566 /nfs/dbraw/zinc/04/05/66/722040566.db2.gz BIUJETZGHZDGOG-IPJJNNNSSA-N 1 2 432.528 2.563 20 0 IFADLO Cc1noc(C[C@@H]2C[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3O2)n1 ZINC001164957370 722040570 /nfs/dbraw/zinc/04/05/70/722040570.db2.gz BIUJETZGHZDGOG-IPJJNNNSSA-N 1 2 432.528 2.563 20 0 IFADLO O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164963731 722063968 /nfs/dbraw/zinc/06/39/68/722063968.db2.gz COIZDOLVEJTRBK-FCHUYYIVSA-N 1 2 446.580 2.985 20 0 IFADLO O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164963731 722063969 /nfs/dbraw/zinc/06/39/69/722063969.db2.gz COIZDOLVEJTRBK-FCHUYYIVSA-N 1 2 446.580 2.985 20 0 IFADLO CCOC(=O)c1cc2n(n1)CCCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164407794 718866203 /nfs/dbraw/zinc/86/62/03/718866203.db2.gz JYEVHUVLVIKERD-UHFFFAOYSA-N 1 2 432.528 2.818 20 0 IFADLO CCOC(=O)c1cc2n(n1)CCCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164407794 718866205 /nfs/dbraw/zinc/86/62/05/718866205.db2.gz JYEVHUVLVIKERD-UHFFFAOYSA-N 1 2 432.528 2.818 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3cncc(Sc4cccc(C)c4)n3)CC2)C1=O ZINC001164639890 719277878 /nfs/dbraw/zinc/27/78/78/719277878.db2.gz LJYHBKVWVXTRMJ-UHFFFAOYSA-N 1 2 441.601 2.696 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cncc(Sc4cccc(C)c4)n3)CC2)C1=O ZINC001164639890 719277882 /nfs/dbraw/zinc/27/78/82/719277882.db2.gz LJYHBKVWVXTRMJ-UHFFFAOYSA-N 1 2 441.601 2.696 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3ccc(-c4cccc(Cl)c4)nn3)CC2)C1=O ZINC001164644517 719280247 /nfs/dbraw/zinc/28/02/47/719280247.db2.gz MSHVMVVBMJNPFZ-UHFFFAOYSA-N 1 2 429.952 2.556 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(-c4cccc(Cl)c4)nn3)CC2)C1=O ZINC001164644517 719280249 /nfs/dbraw/zinc/28/02/49/719280249.db2.gz MSHVMVVBMJNPFZ-UHFFFAOYSA-N 1 2 429.952 2.556 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3c(C)nc(-c4ccccc4)nc3Cl)CC2)C1=O ZINC001164644077 719281639 /nfs/dbraw/zinc/28/16/39/719281639.db2.gz BQXZKEZVKDWACQ-UHFFFAOYSA-N 1 2 443.979 2.865 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3c(C)nc(-c4ccccc4)nc3Cl)CC2)C1=O ZINC001164644077 719281644 /nfs/dbraw/zinc/28/16/44/719281644.db2.gz BQXZKEZVKDWACQ-UHFFFAOYSA-N 1 2 443.979 2.865 20 0 IFADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(=O)OC)cn1)CC2 ZINC001164663835 719346641 /nfs/dbraw/zinc/34/66/41/719346641.db2.gz NFSOJWYYRGYWRO-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(C(=O)OC)cn1)CC2 ZINC001164663835 719346645 /nfs/dbraw/zinc/34/66/45/719346645.db2.gz NFSOJWYYRGYWRO-UHFFFAOYSA-N 1 2 432.528 2.958 20 0 IFADLO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673770 719500888 /nfs/dbraw/zinc/50/08/88/719500888.db2.gz RLIZAIOAZRBBDK-UHFFFAOYSA-N 1 2 428.508 2.972 20 0 IFADLO CCOC(=O)c1cc(C)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673770 719500902 /nfs/dbraw/zinc/50/09/02/719500902.db2.gz RLIZAIOAZRBBDK-UHFFFAOYSA-N 1 2 428.508 2.972 20 0 IFADLO CON(C)C(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164678799 719526054 /nfs/dbraw/zinc/52/60/54/719526054.db2.gz NYHRTTJTPZZHRU-UHFFFAOYSA-N 1 2 428.508 2.726 20 0 IFADLO CON(C)C(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164678799 719526059 /nfs/dbraw/zinc/52/60/59/719526059.db2.gz NYHRTTJTPZZHRU-UHFFFAOYSA-N 1 2 428.508 2.726 20 0 IFADLO CCOC(=O)c1cnc(C(F)(F)N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1Cl ZINC001164677974 719563650 /nfs/dbraw/zinc/56/36/50/719563650.db2.gz UOEVPLRHAMQPKM-UHFFFAOYSA-N 1 2 438.822 2.647 20 0 IFADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(F)c(F)cc2nc1Cl ZINC001164705626 719850682 /nfs/dbraw/zinc/85/06/82/719850682.db2.gz VACWPRADEGVHDE-MPBGBICISA-N 1 2 440.878 2.794 20 0 IFADLO CCOC(=O)c1cc2ccccc2nc1N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703644 719861041 /nfs/dbraw/zinc/86/10/41/719861041.db2.gz QHXQFXZNLURRAD-UUOWRZLLSA-N 1 2 441.528 2.644 20 0 IFADLO CCOC(=O)c1cc2ccccc2nc1N1CC[C@@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001164703626 719861180 /nfs/dbraw/zinc/86/11/80/719861180.db2.gz QHXQFXZNLURRAD-KOSHJBKYSA-N 1 2 441.528 2.644 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)cc(Cc2ccccc2)n1 ZINC001164705104 719862915 /nfs/dbraw/zinc/86/29/15/719862915.db2.gz SUKZPOCQJWFADY-XXBNENTESA-N 1 2 444.963 2.954 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC001164708453 719866041 /nfs/dbraw/zinc/86/60/41/719866041.db2.gz ZGJBFPVWAUCCRU-VGSWGCGISA-N 1 2 434.537 2.661 20 0 IFADLO CCOc1ccc(-c2ccc(N3CC[C@@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nn2)cc1 ZINC001164706502 719872884 /nfs/dbraw/zinc/87/28/84/719872884.db2.gz PRAYWANRSPXZES-NTKDMRAZSA-N 1 2 440.544 2.775 20 0 IFADLO CCN(c1ccccc1)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)ncn1 ZINC001164702311 719874478 /nfs/dbraw/zinc/87/44/78/719874478.db2.gz IEMKRWUMVACWMW-RDPSFJRHSA-N 1 2 439.560 2.867 20 0 IFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc3ccc(F)cc31)CC2 ZINC001164705538 720047214 /nfs/dbraw/zinc/04/72/14/720047214.db2.gz ZSOJKMXRLMIFQK-UHFFFAOYSA-N 1 2 442.926 2.711 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(Cl)cc4nc3Cl)C2)C1 ZINC001164720104 720237681 /nfs/dbraw/zinc/23/76/81/720237681.db2.gz RHPDKQJZAULICU-FQEVSTJZSA-N 1 2 438.359 2.601 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccc(Cl)cc4nc3Cl)C2)C1 ZINC001164720104 720237685 /nfs/dbraw/zinc/23/76/85/720237685.db2.gz RHPDKQJZAULICU-FQEVSTJZSA-N 1 2 438.359 2.601 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C4CCCCC4)n3)C2)C1 ZINC001164725434 720304067 /nfs/dbraw/zinc/30/40/67/720304067.db2.gz VKPWCPQESBFYEN-QFIPXVFZSA-N 1 2 436.000 2.843 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cc(C4CCCCC4)n3)C2)C1 ZINC001164725434 720304077 /nfs/dbraw/zinc/30/40/77/720304077.db2.gz VKPWCPQESBFYEN-QFIPXVFZSA-N 1 2 436.000 2.843 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3)C2)C1 ZINC001164726160 720306584 /nfs/dbraw/zinc/30/65/84/720306584.db2.gz YFNWZGQEARCPKU-QFIPXVFZSA-N 1 2 445.951 2.587 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cnc(Cl)nc3Oc3ccccc3)C2)C1 ZINC001164726160 720306595 /nfs/dbraw/zinc/30/65/95/720306595.db2.gz YFNWZGQEARCPKU-QFIPXVFZSA-N 1 2 445.951 2.587 20 0 IFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)COc1ccc(Cl)nn1 ZINC001164724595 720316812 /nfs/dbraw/zinc/31/68/12/720316812.db2.gz RTSZKFVJBWDTEW-CQSZACIVSA-N 1 2 428.871 2.615 20 0 IFADLO COc1cc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)nc(Cl)n1 ZINC001164720886 720317928 /nfs/dbraw/zinc/31/79/28/720317928.db2.gz BWSZPFOXOWQABD-CYBMUJFWSA-N 1 2 428.871 2.701 20 0 IFADLO CCc1ncnc(Cl)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@H+]2C ZINC001164824028 720361570 /nfs/dbraw/zinc/36/15/70/720361570.db2.gz HJDNXULLSAHDGP-UHFFFAOYSA-N 1 2 434.997 2.771 20 0 IFADLO CCc1ncnc(Cl)c1N1CCC2(CC1)C(=O)N(Cc1csc(C)n1)CC[N@@H+]2C ZINC001164824028 720361578 /nfs/dbraw/zinc/36/15/78/720361578.db2.gz HJDNXULLSAHDGP-UHFFFAOYSA-N 1 2 434.997 2.771 20 0 IFADLO CSc1nc(Cl)cc(C(F)(F)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)n1 ZINC001164829773 720397258 /nfs/dbraw/zinc/39/72/58/720397258.db2.gz OEPXZPLEKQYBPN-UHFFFAOYSA-N 1 2 426.884 2.643 20 0 IFADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-c3ccccc3)ccn1)C2 ZINC001164822694 720441086 /nfs/dbraw/zinc/44/10/86/720441086.db2.gz GJIWOZHTCXSVRO-QFIPXVFZSA-N 1 2 433.556 2.935 20 0 IFADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc3c(F)cccc31)C2 ZINC001164831296 720457596 /nfs/dbraw/zinc/45/75/96/720457596.db2.gz OGZWKLSCMDJAAI-QGZVFWFLSA-N 1 2 425.508 2.560 20 0 IFADLO Cc1ccc(-c2ccc(N3Cc4ncn(C)c4[C@@H](COCC[NH+]4CCOCC4)C3)nn2)cc1 ZINC001164831744 720469814 /nfs/dbraw/zinc/46/98/14/720469814.db2.gz PFKNIMZZHIUPGS-OAQYLSRUSA-N 1 2 448.571 2.638 20 0 IFADLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(C(F)(F)c1cc(Cl)nc(Cl)n1)C2 ZINC001164855824 720895451 /nfs/dbraw/zinc/89/54/51/720895451.db2.gz CQCOCZQQOSSBBM-UHFFFAOYSA-N 1 2 442.257 2.540 20 0 IFADLO COc1nc(Cl)ncc1C(F)(F)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767114 721275314 /nfs/dbraw/zinc/27/53/14/721275314.db2.gz GMJYZGJVRKFGDW-CYBMUJFWSA-N 1 2 436.850 2.990 20 0 IFADLO FC(F)(COc1cncc(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770054 721275485 /nfs/dbraw/zinc/27/54/85/721275485.db2.gz SYWWYOYOYHCHPE-CQSZACIVSA-N 1 2 436.850 2.904 20 0 IFADLO CCOC(=O)c1cc2ccc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)nc2[nH]1 ZINC001164885269 721424593 /nfs/dbraw/zinc/42/45/93/721424593.db2.gz GLIBBGYJDOHNEI-NTKDMRAZSA-N 1 2 441.576 2.505 20 0 IFADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)C2 ZINC001165008261 721712804 /nfs/dbraw/zinc/71/28/04/721712804.db2.gz DJOPUJWZRVTLLP-GOSISDBHSA-N 1 2 425.581 2.796 20 0 IFADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)C2 ZINC001165008261 721712815 /nfs/dbraw/zinc/71/28/15/721712815.db2.gz DJOPUJWZRVTLLP-GOSISDBHSA-N 1 2 425.581 2.796 20 0 IFADLO COC(=O)c1nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c2ccccc2c1OC ZINC001165011077 721716555 /nfs/dbraw/zinc/71/65/55/721716555.db2.gz NOSMEJLXKQLZQO-UHFFFAOYSA-N 1 2 438.532 2.872 20 0 IFADLO COC(=O)c1nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c2ccccc2c1OC ZINC001165011077 721716558 /nfs/dbraw/zinc/71/65/58/721716558.db2.gz NOSMEJLXKQLZQO-UHFFFAOYSA-N 1 2 438.532 2.872 20 0 IFADLO Cc1ccc(Cl)nc1C(F)(F)N1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001165016018 721766091 /nfs/dbraw/zinc/76/60/91/721766091.db2.gz VJHCOULPYCEPDD-UHFFFAOYSA-N 1 2 449.893 2.511 20 0 IFADLO c1ccc(Oc2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164912905 721773760 /nfs/dbraw/zinc/77/37/60/721773760.db2.gz ROVRYHQKFNBCNS-XMMPIXPASA-N 1 2 433.512 2.772 20 0 IFADLO c1ccc(Oc2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncn2)cc1 ZINC001164912905 721773763 /nfs/dbraw/zinc/77/37/63/721773763.db2.gz ROVRYHQKFNBCNS-XMMPIXPASA-N 1 2 433.512 2.772 20 0 IFADLO CCc1c(Cl)nnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1CC ZINC001164914435 721784397 /nfs/dbraw/zinc/78/43/97/721784397.db2.gz DDMJZXRJAPTHFT-QFIPXVFZSA-N 1 2 431.968 2.758 20 0 IFADLO CCc1c(Cl)nnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1CC ZINC001164914435 721784403 /nfs/dbraw/zinc/78/44/03/721784403.db2.gz DDMJZXRJAPTHFT-QFIPXVFZSA-N 1 2 431.968 2.758 20 0 IFADLO Clc1ccc2cc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc2n1 ZINC001164914841 721785218 /nfs/dbraw/zinc/78/52/18/721785218.db2.gz GCWUTILVYRKSBC-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccc2cc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc2n1 ZINC001164914841 721785219 /nfs/dbraw/zinc/78/52/19/721785219.db2.gz GCWUTILVYRKSBC-QFIPXVFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2cnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc12 ZINC001164917525 721787565 /nfs/dbraw/zinc/78/75/65/721787565.db2.gz XZLDMLNRABMIFU-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2cnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc12 ZINC001164917525 721787569 /nfs/dbraw/zinc/78/75/69/721787569.db2.gz XZLDMLNRABMIFU-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO COc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915272 721794057 /nfs/dbraw/zinc/79/40/57/721794057.db2.gz VELNCEZOFOZPBU-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO COc1ccc(-c2ccc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nn2)cc1 ZINC001164915272 721794060 /nfs/dbraw/zinc/79/40/60/721794060.db2.gz VELNCEZOFOZPBU-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO COC(=O)c1cccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ccc21 ZINC001164914934 721797855 /nfs/dbraw/zinc/79/78/55/721797855.db2.gz RHLIHYPBPRHENO-RUZDIDTESA-N 1 2 448.523 2.524 20 0 IFADLO COC(=O)c1cccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ccc21 ZINC001164914934 721797856 /nfs/dbraw/zinc/79/78/56/721797856.db2.gz RHLIHYPBPRHENO-RUZDIDTESA-N 1 2 448.523 2.524 20 0 IFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3cc(C(=O)NCC(C)C)ccc32)CC1 ZINC001164919017 721817344 /nfs/dbraw/zinc/81/73/44/721817344.db2.gz YPNWMBPAMZUYEX-UHFFFAOYSA-N 1 2 447.587 2.962 20 0 IFADLO COC(=O)c1nc(Cl)c(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c(Cl)n1 ZINC001164918939 721821519 /nfs/dbraw/zinc/82/15/19/721821519.db2.gz JCFFANNEIYMWFN-UHFFFAOYSA-N 1 2 425.320 2.516 20 0 IFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164945085 721973017 /nfs/dbraw/zinc/97/30/17/721973017.db2.gz OQPUDUHRKLHSQK-UHFFFAOYSA-N 1 2 425.964 2.980 20 0 IFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nnc(Cl)c3c1CCCC3)CC2 ZINC001164945085 721973024 /nfs/dbraw/zinc/97/30/24/721973024.db2.gz OQPUDUHRKLHSQK-UHFFFAOYSA-N 1 2 425.964 2.980 20 0 IFADLO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)nc1 ZINC001164946061 721976246 /nfs/dbraw/zinc/97/62/46/721976246.db2.gz JEGUMOXDDMPANQ-PKNBQFBNSA-N 1 2 434.540 2.629 20 0 IFADLO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)nc1 ZINC001164946061 721976248 /nfs/dbraw/zinc/97/62/48/721976248.db2.gz JEGUMOXDDMPANQ-PKNBQFBNSA-N 1 2 434.540 2.629 20 0 IFADLO COC(=O)c1ccc2cc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)ncc2c1 ZINC001164948194 721977545 /nfs/dbraw/zinc/97/75/45/721977545.db2.gz VDOXSVURJNSTCW-UHFFFAOYSA-N 1 2 444.535 2.992 20 0 IFADLO COC(=O)c1ccc2cc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)ncc2c1 ZINC001164948194 721977551 /nfs/dbraw/zinc/97/75/51/721977551.db2.gz VDOXSVURJNSTCW-UHFFFAOYSA-N 1 2 444.535 2.992 20 0 IFADLO C[C@@H]1CCCN(c2nc3cc(C[NH+]4CCN(C)CC4)sc3c(N3CCOCC3)n2)[C@@H]1C ZINC001165051050 721998238 /nfs/dbraw/zinc/99/82/38/721998238.db2.gz CSNYDSMGXGJRLB-QZTJIDSGSA-N 1 2 444.649 2.900 20 0 IFADLO Cc1noc(C[C@@H]2C[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164957371 722040673 /nfs/dbraw/zinc/04/06/73/722040673.db2.gz BIUJETZGHZDGOG-XQBPLPMBSA-N 1 2 432.528 2.563 20 0 IFADLO Cc1noc(C[C@@H]2C[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3O2)n1 ZINC001164957371 722040676 /nfs/dbraw/zinc/04/06/76/722040676.db2.gz BIUJETZGHZDGOG-XQBPLPMBSA-N 1 2 432.528 2.563 20 0 IFADLO COc1c[nH+]c(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)nc1NC(C)C ZINC001164987565 722173365 /nfs/dbraw/zinc/17/33/65/722173365.db2.gz OGEKMNSICBGKDF-QZTJIDSGSA-N 1 2 432.594 2.940 20 0 IFADLO COc1c[nH+]c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)nc1NC(C)C ZINC001164987563 722173480 /nfs/dbraw/zinc/17/34/80/722173480.db2.gz OGEKMNSICBGKDF-MSOLQXFVSA-N 1 2 432.594 2.940 20 0 IFADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCSCC5)nc[nH+]4)CC[C@H]32)cs1 ZINC001164989662 722185959 /nfs/dbraw/zinc/18/59/59/722185959.db2.gz PNKYKZICEKVRTE-MOPGFXCFSA-N 1 2 446.646 2.665 20 0 IFADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCSCC5)[nH+]cn4)CC[C@H]32)cs1 ZINC001164989662 722185960 /nfs/dbraw/zinc/18/59/60/722185960.db2.gz PNKYKZICEKVRTE-MOPGFXCFSA-N 1 2 446.646 2.665 20 0 IFADLO COCCN1CC[N@H+](C)C2(CCN(c3cc(-c4cccc(Cl)c4)ncn3)CC2)C1=O ZINC001164644872 719281334 /nfs/dbraw/zinc/28/13/34/719281334.db2.gz VLUPIOTZSCAXKQ-UHFFFAOYSA-N 1 2 429.952 2.556 20 0 IFADLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(-c4cccc(Cl)c4)ncn3)CC2)C1=O ZINC001164644872 719281335 /nfs/dbraw/zinc/28/13/35/719281335.db2.gz VLUPIOTZSCAXKQ-UHFFFAOYSA-N 1 2 429.952 2.556 20 0 IFADLO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673757 719502451 /nfs/dbraw/zinc/50/24/51/719502451.db2.gz RDEOAGJNEDZTEU-UHFFFAOYSA-N 1 2 448.926 2.856 20 0 IFADLO COC(=O)Cc1c(Cl)ncnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673757 719502458 /nfs/dbraw/zinc/50/24/58/719502458.db2.gz RDEOAGJNEDZTEU-UHFFFAOYSA-N 1 2 448.926 2.856 20 0 IFADLO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164673767 719506119 /nfs/dbraw/zinc/50/61/19/719506119.db2.gz RKBBWWZOKKCHRS-UHFFFAOYSA-N 1 2 444.507 2.672 20 0 IFADLO CCOC(=O)c1cnc(OC)nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164673767 719506127 /nfs/dbraw/zinc/50/61/27/719506127.db2.gz RKBBWWZOKKCHRS-UHFFFAOYSA-N 1 2 444.507 2.672 20 0 IFADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc2cc(F)c(F)cc2nc1Cl ZINC001164705627 719850949 /nfs/dbraw/zinc/85/09/49/719850949.db2.gz VACWPRADEGVHDE-ODXCJYRJSA-N 1 2 440.878 2.794 20 0 IFADLO CCOC(=O)c1cc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc2ccccc21 ZINC001164705565 719853221 /nfs/dbraw/zinc/85/32/21/719853221.db2.gz UGOJTYBTSGUKSY-BXKMTCNYSA-N 1 2 441.528 2.644 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(Oc2cccc(OC)c2)n1 ZINC001164700109 719861957 /nfs/dbraw/zinc/86/19/57/719861957.db2.gz GLEOFILPSMNADA-SBUREZEXSA-N 1 2 442.516 2.510 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cncc(Oc2cccc(F)c2)n1 ZINC001164705098 719862190 /nfs/dbraw/zinc/86/21/90/719862190.db2.gz SUHNVJVXULXXFK-JTSKRJEESA-N 1 2 430.480 2.641 20 0 IFADLO CCOc1ccc(-c2ccc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)nn2)cc1 ZINC001164706505 719872974 /nfs/dbraw/zinc/87/29/74/719872974.db2.gz PRAYWANRSPXZES-YADARESESA-N 1 2 440.544 2.775 20 0 IFADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1c(Cl)nc(Cl)nc1C1CC1 ZINC001164698956 719878539 /nfs/dbraw/zinc/87/85/39/719878539.db2.gz GIBGKONFJPKVPA-DJJJIMSYSA-N 1 2 429.348 2.894 20 0 IFADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164696150 719888247 /nfs/dbraw/zinc/88/82/47/719888247.db2.gz ZSBIJWVLQLTZDI-UHFFFAOYSA-N 1 2 427.530 2.629 20 0 IFADLO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696150 719888250 /nfs/dbraw/zinc/88/82/50/719888250.db2.gz ZSBIJWVLQLTZDI-UHFFFAOYSA-N 1 2 427.530 2.629 20 0 IFADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(Cl)nc3c(F)cccc13)CC2 ZINC001164709149 719937027 /nfs/dbraw/zinc/93/70/27/719937027.db2.gz ZOKXPBUKXXHWOG-UHFFFAOYSA-N 1 2 442.926 2.711 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)C1 ZINC001164718526 720214831 /nfs/dbraw/zinc/21/48/31/720214831.db2.gz MWYFCAKFXMCCBD-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3Cl)C2)C1 ZINC001164718526 720214842 /nfs/dbraw/zinc/21/48/42/720214842.db2.gz MWYFCAKFXMCCBD-KRWDZBQOSA-N 1 2 437.318 2.598 20 0 IFADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccc(Cl)cc4nc3Cl)C2)C1 ZINC001164720106 720237532 /nfs/dbraw/zinc/23/75/32/720237532.db2.gz RHPDKQJZAULICU-HXUWFJFHSA-N 1 2 438.359 2.601 20 0 IFADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccc(Cl)cc4nc3Cl)C2)C1 ZINC001164720106 720237537 /nfs/dbraw/zinc/23/75/37/720237537.db2.gz RHPDKQJZAULICU-HXUWFJFHSA-N 1 2 438.359 2.601 20 0 IFADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc(N(C)C)nc(Cl)n1 ZINC001164721087 720317176 /nfs/dbraw/zinc/31/71/76/720317176.db2.gz DOOFGCYHZZWNEH-CQSZACIVSA-N 1 2 441.914 2.758 20 0 IFADLO Cc1nc(CN2CCN(C)C3(CCN(c4nc(NC(C)C)c(C)c[nH+]4)CC3)C2=O)cs1 ZINC001164828352 720357188 /nfs/dbraw/zinc/35/71/88/720357188.db2.gz OIUKRRRBLSKJRC-UHFFFAOYSA-N 1 2 443.621 2.683 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nnc(Cl)cc4Cl)CC3)C2=O)cs1 ZINC001164824824 720359325 /nfs/dbraw/zinc/35/93/25/720359325.db2.gz NIMKGMWQKIXFDG-UHFFFAOYSA-N 1 2 441.388 2.862 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nnc(Cl)cc4Cl)CC3)C2=O)cs1 ZINC001164824824 720359329 /nfs/dbraw/zinc/35/93/29/720359329.db2.gz NIMKGMWQKIXFDG-UHFFFAOYSA-N 1 2 441.388 2.862 20 0 IFADLO CSc1cc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)n1 ZINC001164819419 720369494 /nfs/dbraw/zinc/36/94/94/720369494.db2.gz FBJMHLLSTWQCBL-UHFFFAOYSA-N 1 2 432.619 2.585 20 0 IFADLO CSc1cc(C)nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)n1 ZINC001164819419 720369501 /nfs/dbraw/zinc/36/95/01/720369501.db2.gz FBJMHLLSTWQCBL-UHFFFAOYSA-N 1 2 432.619 2.585 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nc5ccc(Cl)nc5[nH]4)CC3)C2=O)cs1 ZINC001164819337 720375692 /nfs/dbraw/zinc/37/56/92/720375692.db2.gz DBTSCNJHHZBUBB-UHFFFAOYSA-N 1 2 445.980 2.689 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nc5ccc(Cl)nc5[nH]4)CC3)C2=O)cs1 ZINC001164819337 720375696 /nfs/dbraw/zinc/37/56/96/720375696.db2.gz DBTSCNJHHZBUBB-UHFFFAOYSA-N 1 2 445.980 2.689 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5cc(F)ccc5n4)CC3)C2=O)cs1 ZINC001164819321 720376712 /nfs/dbraw/zinc/37/67/12/720376712.db2.gz CKKQJZBXESXEDP-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5cc(F)ccc5n4)CC3)C2=O)cs1 ZINC001164819321 720376718 /nfs/dbraw/zinc/37/67/18/720376718.db2.gz CKKQJZBXESXEDP-UHFFFAOYSA-N 1 2 440.548 2.847 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(-c5ccncc5)ncn4)CC3)C2=O)cs1 ZINC001164820133 720380347 /nfs/dbraw/zinc/38/03/47/720380347.db2.gz LKKYLKMKGZGQSE-UHFFFAOYSA-N 1 2 449.584 2.617 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(-c5ccncc5)ncn4)CC3)C2=O)cs1 ZINC001164820133 720380355 /nfs/dbraw/zinc/38/03/55/720380355.db2.gz LKKYLKMKGZGQSE-UHFFFAOYSA-N 1 2 449.584 2.617 20 0 IFADLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc5c(nn4)CC[C@H](C)C5)CC3)C2=O)cs1 ZINC001164826905 720385021 /nfs/dbraw/zinc/38/50/21/720385021.db2.gz YFLLOTFTJIJGIY-INIZCTEOSA-N 1 2 440.617 2.680 20 0 IFADLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc5c(nn4)CC[C@H](C)C5)CC3)C2=O)cs1 ZINC001164826905 720385027 /nfs/dbraw/zinc/38/50/27/720385027.db2.gz YFLLOTFTJIJGIY-INIZCTEOSA-N 1 2 440.617 2.680 20 0 IFADLO CSc1cc(Cl)ncc1N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164824159 720444950 /nfs/dbraw/zinc/44/49/50/720444950.db2.gz MZMXWCOXVSVVLV-OAHLLOKOSA-N 1 2 437.997 2.643 20 0 IFADLO Cc1cccc(-c2ccc(N3Cc4ncn(C)c4[C@H](COCC[NH+]4CCOCC4)C3)nn2)c1 ZINC001164829244 720471200 /nfs/dbraw/zinc/47/12/00/720471200.db2.gz DSOBFVHKQQIAAF-NRFANRHFSA-N 1 2 448.571 2.638 20 0 IFADLO O=C(c1cccnc1N1CCC2(CCCC(=O)N2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164836885 720732358 /nfs/dbraw/zinc/73/23/58/720732358.db2.gz HLSJPRGWYKAODA-UHFFFAOYSA-N 1 2 447.583 2.679 20 0 IFADLO NC(=O)c1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc1Cl ZINC001164764714 721272417 /nfs/dbraw/zinc/27/24/17/721272417.db2.gz IGNCPDXMYICOLL-CYBMUJFWSA-N 1 2 448.861 2.686 20 0 IFADLO COc1cc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COc3cccnc3)C2)nc(Cl)n1 ZINC001164768988 721276192 /nfs/dbraw/zinc/27/61/92/721276192.db2.gz MUNIJCDHGWYQTM-CYBMUJFWSA-N 1 2 436.850 2.990 20 0 IFADLO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164785286 721450385 /nfs/dbraw/zinc/45/03/85/721450385.db2.gz IETFQKUZDIDATJ-MRXNPFEDSA-N 1 2 434.972 2.740 20 0 IFADLO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3[nH]cnc31)CC2 ZINC001164785286 721450387 /nfs/dbraw/zinc/45/03/87/721450387.db2.gz IETFQKUZDIDATJ-MRXNPFEDSA-N 1 2 434.972 2.740 20 0 IFADLO COc1cc2nc(C)nc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2cc1OC ZINC001165011661 721705105 /nfs/dbraw/zinc/70/51/05/721705105.db2.gz UMTPPUOELDCFNN-UHFFFAOYSA-N 1 2 425.537 2.797 20 0 IFADLO COc1cc2nc(C)nc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2cc1OC ZINC001165011661 721705114 /nfs/dbraw/zinc/70/51/14/721705114.db2.gz UMTPPUOELDCFNN-UHFFFAOYSA-N 1 2 425.537 2.797 20 0 IFADLO CCOC(=O)c1cc2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2s1 ZINC001165008319 721709021 /nfs/dbraw/zinc/70/90/21/721709021.db2.gz DYFPNFLCAKWTDH-UHFFFAOYSA-N 1 2 429.550 2.710 20 0 IFADLO CCOC(=O)c1cc2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2s1 ZINC001165008319 721709029 /nfs/dbraw/zinc/70/90/29/721709029.db2.gz DYFPNFLCAKWTDH-UHFFFAOYSA-N 1 2 429.550 2.710 20 0 IFADLO CC(C)(C)OC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164911965 721772723 /nfs/dbraw/zinc/77/27/23/721772723.db2.gz IVZSRIWASUAYIW-DEOSSOPVSA-N 1 2 440.544 2.540 20 0 IFADLO CC(C)(C)OC(=O)c1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164911965 721772728 /nfs/dbraw/zinc/77/27/28/721772728.db2.gz IVZSRIWASUAYIW-DEOSSOPVSA-N 1 2 440.544 2.540 20 0 IFADLO Clc1cccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cnc12 ZINC001164912660 721778364 /nfs/dbraw/zinc/77/83/64/721778364.db2.gz OCAGHEQVIOVYNV-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1cccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cnc12 ZINC001164912660 721778366 /nfs/dbraw/zinc/77/83/66/721778366.db2.gz OCAGHEQVIOVYNV-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO CSc1nc2c(c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CCCC2 ZINC001164916313 721780662 /nfs/dbraw/zinc/78/06/62/721780662.db2.gz PPMNYGJEVVMJPO-HSZRJFAPSA-N 1 2 441.601 2.580 20 0 IFADLO CSc1nc2c(c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CCCC2 ZINC001164916313 721780666 /nfs/dbraw/zinc/78/06/66/721780666.db2.gz PPMNYGJEVVMJPO-HSZRJFAPSA-N 1 2 441.601 2.580 20 0 IFADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n1)CCCCC2 ZINC001164914886 721781106 /nfs/dbraw/zinc/78/11/06/721781106.db2.gz GZSNRHHGAYIHEC-HSZRJFAPSA-N 1 2 443.979 2.902 20 0 IFADLO Clc1nc2c(c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n1)CCCCC2 ZINC001164914886 721781108 /nfs/dbraw/zinc/78/11/08/721781108.db2.gz GZSNRHHGAYIHEC-HSZRJFAPSA-N 1 2 443.979 2.902 20 0 IFADLO Clc1ccnc2cc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)ncc12 ZINC001164915998 721781133 /nfs/dbraw/zinc/78/11/33/721781133.db2.gz NEJUSSJUYMPQPH-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO Clc1ccnc2cc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)ncc12 ZINC001164915998 721781136 /nfs/dbraw/zinc/78/11/36/721781136.db2.gz NEJUSSJUYMPQPH-JOCHJYFZSA-N 1 2 425.920 2.786 20 0 IFADLO O=C1[C@@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@@H]2CN1c1cccnc1 ZINC001165017701 721789502 /nfs/dbraw/zinc/78/95/02/721789502.db2.gz HCDSBEDPENOPRP-TZIWHRDSSA-N 1 2 426.524 2.529 20 0 IFADLO O=C1[C@@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@@H]2CN1c1cccnc1 ZINC001165017701 721789506 /nfs/dbraw/zinc/78/95/06/721789506.db2.gz HCDSBEDPENOPRP-TZIWHRDSSA-N 1 2 426.524 2.529 20 0 IFADLO COc1cccc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917923 721789622 /nfs/dbraw/zinc/78/96/22/721789622.db2.gz ZZCFLEHBKSQCAH-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO COc1cccc(-c2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)n2)c1 ZINC001164917923 721789627 /nfs/dbraw/zinc/78/96/27/721789627.db2.gz ZZCFLEHBKSQCAH-RUZDIDTESA-N 1 2 447.539 2.655 20 0 IFADLO CC(C)(C)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164914902 721791468 /nfs/dbraw/zinc/79/14/68/721791468.db2.gz HJYFUDOUZBNBMB-JOCHJYFZSA-N 1 2 431.968 2.930 20 0 IFADLO CC(C)(C)c1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164914902 721791469 /nfs/dbraw/zinc/79/14/69/721791469.db2.gz HJYFUDOUZBNBMB-JOCHJYFZSA-N 1 2 431.968 2.930 20 0 IFADLO COc1ccccc1-c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164914987 721794733 /nfs/dbraw/zinc/79/47/33/721794733.db2.gz SPAZFMRUBXSOQM-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO COc1ccccc1-c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164914987 721794737 /nfs/dbraw/zinc/79/47/37/721794737.db2.gz SPAZFMRUBXSOQM-VWLOTQADSA-N 1 2 447.539 2.655 20 0 IFADLO c1ccc(Oc2nccnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC001164914020 721798485 /nfs/dbraw/zinc/79/84/85/721798485.db2.gz KBKBWCHTQJAMAU-DEOSSOPVSA-N 1 2 433.512 2.772 20 0 IFADLO c1ccc(Oc2nccnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)cc1 ZINC001164914020 721798487 /nfs/dbraw/zinc/79/84/87/721798487.db2.gz KBKBWCHTQJAMAU-DEOSSOPVSA-N 1 2 433.512 2.772 20 0 IFADLO Cc1cnc2n1CCN(C)C21CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001164919499 721813347 /nfs/dbraw/zinc/81/33/47/721813347.db2.gz YSIPIOMFKLCNCC-UHFFFAOYSA-N 1 2 443.599 2.981 20 0 IFADLO Cc1cnc2n1CCN(C)C21CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001164919499 721813349 /nfs/dbraw/zinc/81/33/49/721813349.db2.gz YSIPIOMFKLCNCC-UHFFFAOYSA-N 1 2 443.599 2.981 20 0 IFADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(-c3ccc4c(c3)OCCO4)nn2)CC1 ZINC001164918745 721819570 /nfs/dbraw/zinc/81/95/70/721819570.db2.gz SWIMBFOBEQAQDL-UHFFFAOYSA-N 1 2 432.528 2.861 20 0 IFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164944989 721972635 /nfs/dbraw/zinc/97/26/35/721972635.db2.gz LZXNCMZCZWQNNV-UHFFFAOYSA-N 1 2 429.977 2.749 20 0 IFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nc(Cl)nc3c1SCC3)CC2 ZINC001164944989 721972636 /nfs/dbraw/zinc/97/26/36/721972636.db2.gz LZXNCMZCZWQNNV-UHFFFAOYSA-N 1 2 429.977 2.749 20 0 IFADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164949845 721980221 /nfs/dbraw/zinc/98/02/21/721980221.db2.gz QQZXGEHLFJJODN-UHFFFAOYSA-N 1 2 434.588 2.828 20 0 IFADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cncc(N3CCCCCC3)n1)CC2 ZINC001164949845 721980223 /nfs/dbraw/zinc/98/02/23/721980223.db2.gz QQZXGEHLFJJODN-UHFFFAOYSA-N 1 2 434.588 2.828 20 0 IFADLO C[C@@H]1[C@@H](C)CCCN1c1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001165051055 721998000 /nfs/dbraw/zinc/99/80/00/721998000.db2.gz CSNYDSMGXGJRLB-ZWKOTPCHSA-N 1 2 444.649 2.900 20 0 IFADLO O=C(c1ccco1)N1CC[C@H]2CN(c3ncnc4c3C[N@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164960368 722046470 /nfs/dbraw/zinc/04/64/70/722046470.db2.gz VKNBGDRIFYJRGJ-SIKLNZKXSA-N 1 2 429.524 2.979 20 0 IFADLO O=C(c1ccco1)N1CC[C@H]2CN(c3ncnc4c3C[N@@H+](Cc3ccccc3)CC4)C[C@H]21 ZINC001164960368 722046471 /nfs/dbraw/zinc/04/64/71/722046471.db2.gz VKNBGDRIFYJRGJ-SIKLNZKXSA-N 1 2 429.524 2.979 20 0 IFADLO