smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[NH2+][C@@H](c2nccs2)c2ccccc2)ccc1O ZINC000183311624 1032190242 /nfs/dbraw/zinc/19/02/42/1032190242.db2.gz FYUWJEQLLTYVRJ-QGZVFWFLSA-N 1 2 326.421 3.737 10 0 EHAELO COCCOc1ccccc1C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000245708832 1029091655 /nfs/dbraw/zinc/09/16/55/1029091655.db2.gz FQPOZBLQFNZELY-KXBFYZLASA-N 1 2 347.480 3.735 10 0 EHAELO COCCOc1ccccc1C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000245708832 1029091671 /nfs/dbraw/zinc/09/16/71/1029091671.db2.gz FQPOZBLQFNZELY-KXBFYZLASA-N 1 2 347.480 3.735 10 0 EHAELO CCS[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000247113310 1030893871 /nfs/dbraw/zinc/89/38/71/1030893871.db2.gz AEYXNCIYTAAREW-VXGBXAGGSA-N 1 2 338.502 3.720 10 0 EHAELO CCS[C@H](C)c1noc(C[N@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000247113310 1030893890 /nfs/dbraw/zinc/89/38/90/1030893890.db2.gz AEYXNCIYTAAREW-VXGBXAGGSA-N 1 2 338.502 3.720 10 0 EHAELO C[C@@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C[C@@H]1n1cc[nH+]c1 ZINC000248731828 1030920659 /nfs/dbraw/zinc/92/06/59/1030920659.db2.gz OQSFFVWQXDCOQV-KBMXLJTQSA-N 1 2 344.484 3.615 10 0 EHAELO C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000117623260 1031782298 /nfs/dbraw/zinc/78/22/98/1031782298.db2.gz RFZHGBKBVDUFCK-SGTLLEGYSA-N 1 2 337.354 3.515 10 0 EHAELO COc1cc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000180086219 1031841094 /nfs/dbraw/zinc/84/10/94/1031841094.db2.gz ZBWOQNRIKGZYDD-ORAYPTAESA-N 1 2 331.387 3.502 10 0 EHAELO COc1cc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000180086219 1031841109 /nfs/dbraw/zinc/84/11/09/1031841109.db2.gz ZBWOQNRIKGZYDD-ORAYPTAESA-N 1 2 331.387 3.502 10 0 EHAELO CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000180444133 1031856649 /nfs/dbraw/zinc/85/66/49/1031856649.db2.gz MATQHRBIQMNUNV-RDJZCZTQSA-N 1 2 342.443 3.757 10 0 EHAELO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162613987 1042742712 /nfs/dbraw/zinc/74/27/12/1042742712.db2.gz ISOUKLQYVLLMDM-WOJBJXKFSA-N 1 2 348.450 3.878 10 0 EHAELO Cc1cc(C[N@@H+](C)Cc2nccn2C)cc(C)c1OCC(F)(F)F ZINC000102514532 1137873229 /nfs/dbraw/zinc/87/32/29/1137873229.db2.gz PYZNTECTHXPMCS-UHFFFAOYSA-N 1 2 341.377 3.610 10 0 EHAELO Cc1cc(C[N@H+](C)Cc2nccn2C)cc(C)c1OCC(F)(F)F ZINC000102514532 1137873230 /nfs/dbraw/zinc/87/32/30/1137873230.db2.gz PYZNTECTHXPMCS-UHFFFAOYSA-N 1 2 341.377 3.610 10 0 EHAELO C[C@H]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000334067484 1138367327 /nfs/dbraw/zinc/36/73/27/1138367327.db2.gz DUSORYLVZJRSNT-WNHJNPCNSA-N 1 2 344.503 3.692 10 0 EHAELO Cc1nc([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)cs1 ZINC000187001569 1140231831 /nfs/dbraw/zinc/23/18/31/1140231831.db2.gz JSXYEMQGIJDUQP-KRWDZBQOSA-N 1 2 338.436 3.615 10 0 EHAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000190098496 1140386285 /nfs/dbraw/zinc/38/62/85/1140386285.db2.gz HDMAJSHFFUQWBM-ROUUACIJSA-N 1 2 329.444 3.539 10 0 EHAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000190098496 1140386294 /nfs/dbraw/zinc/38/62/94/1140386294.db2.gz HDMAJSHFFUQWBM-ROUUACIJSA-N 1 2 329.444 3.539 10 0 EHAELO COC(=O)[C@](C)([NH2+]C1CCCCC1)c1ccc(Br)cc1 ZINC000037971950 202071994 /nfs/dbraw/zinc/07/19/94/202071994.db2.gz OAPVMPRIHXDDPH-MRXNPFEDSA-N 1 2 340.261 3.760 10 0 EHAELO O=C1S/C(=C\c2ccccc2Cl)C(=O)N1C[NH+]1CCCCC1 ZINC000033339183 202258797 /nfs/dbraw/zinc/25/87/97/202258797.db2.gz WBTOBXWCPOEQED-UVTDQMKNSA-N 1 2 336.844 3.820 10 0 EHAELO CC[C@H](C)[NH2+][C@@](CC)(C(=O)OC)c1ccc(Br)cc1 ZINC000038066683 202391196 /nfs/dbraw/zinc/39/11/96/202391196.db2.gz YWFLFMOEGCZBFQ-XHDPSFHLSA-N 1 2 328.250 3.616 10 0 EHAELO CC(C)c1nccc(N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)n1 ZINC000328629771 258029707 /nfs/dbraw/zinc/02/97/07/258029707.db2.gz PDPWYKVSAZWOCY-MRXNPFEDSA-N 1 2 325.460 3.554 10 0 EHAELO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000129065682 1027519137 /nfs/dbraw/zinc/51/91/37/1027519137.db2.gz BPLPGFIORSUYGQ-GFCCVEGCSA-N 1 2 330.407 3.724 10 0 EHAELO CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000176349868 1031429477 /nfs/dbraw/zinc/42/94/77/1031429477.db2.gz ZYEFMAKJIYGSJA-AWEZNQCLSA-N 1 2 346.406 3.506 10 0 EHAELO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC(Oc2ccccc2)CC1 ZINC000117629041 1031782267 /nfs/dbraw/zinc/78/22/67/1031782267.db2.gz NXBXNXYKLVGNDI-UHFFFAOYSA-N 1 2 347.418 3.556 10 0 EHAELO O=C(c1ccccc1Cc1ccccc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101863601 1137871918 /nfs/dbraw/zinc/87/19/18/1137871918.db2.gz OQUJUDHETUYZBN-UHFFFAOYSA-N 1 2 345.446 3.951 10 0 EHAELO Cc1c[nH]c(CNc2cc(C(=O)N3CCCCC3)ccc2Cl)[nH+]1 ZINC000032523734 202226630 /nfs/dbraw/zinc/22/66/30/202226630.db2.gz RBFYNKZIEJNLRT-UHFFFAOYSA-N 1 2 332.835 3.610 10 0 EHAELO Clc1nc(NCC2CC2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000057345933 201139552 /nfs/dbraw/zinc/13/95/52/201139552.db2.gz MXXUFNBXSQTWMH-UHFFFAOYSA-N 1 2 328.847 3.510 10 0 EHAELO Clc1nc(NCC2CC2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000057345933 201139555 /nfs/dbraw/zinc/13/95/55/201139555.db2.gz MXXUFNBXSQTWMH-UHFFFAOYSA-N 1 2 328.847 3.510 10 0 EHAELO Cc1c[nH]c(CN2Cc3ccccc3O[C@H](c3ccccc3F)C2)[nH+]1 ZINC000299759732 258077162 /nfs/dbraw/zinc/07/71/62/258077162.db2.gz QYYCEVURFRPKEA-IBGZPJMESA-N 1 2 337.398 3.993 10 0 EHAELO CC(C)(C)CCCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000103860339 1026128574 /nfs/dbraw/zinc/12/85/74/1026128574.db2.gz YNUDZCKYIUPHCG-UHFFFAOYSA-N 1 2 332.492 3.566 10 0 EHAELO CC1(C)[C@H]([NH2+]c2ccc(N3CCSCC3)cc2)[C@H]2CCCO[C@H]21 ZINC000246198185 1027957552 /nfs/dbraw/zinc/95/75/52/1027957552.db2.gz UMXASUOSSNHTTR-KZNAEPCWSA-N 1 2 332.513 3.855 10 0 EHAELO CC(C)(C)c1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000246481447 1028608563 /nfs/dbraw/zinc/60/85/63/1028608563.db2.gz GPUPBGZQZDYRNY-HZPDHXFCSA-N 1 2 347.434 3.594 10 0 EHAELO CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000246481447 1028608572 /nfs/dbraw/zinc/60/85/72/1028608572.db2.gz GPUPBGZQZDYRNY-HZPDHXFCSA-N 1 2 347.434 3.594 10 0 EHAELO CCCCc1nc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000246933469 1028748288 /nfs/dbraw/zinc/74/82/88/1028748288.db2.gz TWULYVZWBWFPQN-DLBZAZTESA-N 1 2 347.434 3.639 10 0 EHAELO CCCCc1nc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000246933469 1028748306 /nfs/dbraw/zinc/74/83/06/1028748306.db2.gz TWULYVZWBWFPQN-DLBZAZTESA-N 1 2 347.434 3.639 10 0 EHAELO Cc1cc([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc1N1CCOCC1 ZINC000253558664 1029338908 /nfs/dbraw/zinc/33/89/08/1029338908.db2.gz LQYFZHFEJDMPPS-DFQSSKMNSA-N 1 2 342.483 3.591 10 0 EHAELO CC(C)(CCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000157736948 1030813799 /nfs/dbraw/zinc/81/37/99/1030813799.db2.gz OSUZUOAPNQPVJF-GOSISDBHSA-N 1 2 325.456 3.632 10 0 EHAELO CC(C)Oc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000176349851 1031429366 /nfs/dbraw/zinc/42/93/66/1031429366.db2.gz ZYEFMAKJIYGSJA-CQSZACIVSA-N 1 2 346.406 3.506 10 0 EHAELO CC(C)CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177736159 1031561903 /nfs/dbraw/zinc/56/19/03/1031561903.db2.gz WZUAOMVDBYDCPF-GOSISDBHSA-N 1 2 341.455 3.613 10 0 EHAELO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1O ZINC000180063616 1031836656 /nfs/dbraw/zinc/83/66/56/1031836656.db2.gz JUGHPEFWWIBPSA-SFHVURJKSA-N 1 2 333.815 3.628 10 0 EHAELO COc1cc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)ccc1O ZINC000180063616 1031836672 /nfs/dbraw/zinc/83/66/72/1031836672.db2.gz JUGHPEFWWIBPSA-SFHVURJKSA-N 1 2 333.815 3.628 10 0 EHAELO Cc1nnc([C@H]([NH2+]Cc2ccc3nc(C)ccc3c2)c2ccccc2)[nH]1 ZINC000189311088 1036057513 /nfs/dbraw/zinc/05/75/13/1036057513.db2.gz FMCKRLLKTJJIFC-HXUWFJFHSA-N 1 2 343.434 3.849 10 0 EHAELO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000105080625 1037148749 /nfs/dbraw/zinc/14/87/49/1037148749.db2.gz BPKAVELFTLQMNO-CQSZACIVSA-N 1 2 346.862 3.988 10 0 EHAELO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000193557483 1037284490 /nfs/dbraw/zinc/28/44/90/1037284490.db2.gz WZKPSECWWSHKEL-QPGLYAHGSA-N 1 2 345.402 3.526 10 0 EHAELO CC(C)(C)[C@H]1CCCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000408180378 1042157635 /nfs/dbraw/zinc/15/76/35/1042157635.db2.gz QDOCEXQCWWZHKW-HNNXBMFYSA-N 1 2 332.492 3.577 10 0 EHAELO C[C@@H](NC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)c1ccccc1 ZINC000021159052 202063442 /nfs/dbraw/zinc/06/34/42/202063442.db2.gz IBTVPYZZBPIXRD-NVXWUHKLSA-N 1 2 348.450 3.657 10 0 EHAELO Cn1c(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)nc2ccccc21 ZINC000328622664 258034428 /nfs/dbraw/zinc/03/44/28/258034428.db2.gz BLQOPFXGXIEVRG-GOSISDBHSA-N 1 2 335.455 3.512 10 0 EHAELO COC(=O)c1occc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000035055196 522414030 /nfs/dbraw/zinc/41/40/30/522414030.db2.gz UHWMGDYTOZXLBK-JTQLQIEISA-N 1 2 338.201 3.680 10 0 EHAELO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000125639367 1022656861 /nfs/dbraw/zinc/65/68/61/1022656861.db2.gz AEYXNCIYTAAREW-RYUDHWBXSA-N 1 2 338.502 3.720 10 0 EHAELO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@H](c3nccs3)C2)n1 ZINC000125639367 1022656872 /nfs/dbraw/zinc/65/68/72/1022656872.db2.gz AEYXNCIYTAAREW-RYUDHWBXSA-N 1 2 338.502 3.720 10 0 EHAELO Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245694984 1029024917 /nfs/dbraw/zinc/02/49/17/1029024917.db2.gz PNOLWFCBQPYJSU-CABCVRRESA-N 1 2 336.407 3.510 10 0 EHAELO Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245694984 1029024928 /nfs/dbraw/zinc/02/49/28/1029024928.db2.gz PNOLWFCBQPYJSU-CABCVRRESA-N 1 2 336.407 3.510 10 0 EHAELO CCOc1cc(C[N@@H+]2CCO[C@H](c3ccc(C)o3)C2)ccc1OC ZINC000093864813 1030686636 /nfs/dbraw/zinc/68/66/36/1030686636.db2.gz LUOSWXHMYBBOLD-IBGZPJMESA-N 1 2 331.412 3.569 10 0 EHAELO CCOc1cc(C[N@H+]2CCO[C@H](c3ccc(C)o3)C2)ccc1OC ZINC000093864813 1030686644 /nfs/dbraw/zinc/68/66/44/1030686644.db2.gz LUOSWXHMYBBOLD-IBGZPJMESA-N 1 2 331.412 3.569 10 0 EHAELO Cc1cc2cc(C(=O)N3CCCN(c4cccc[nH+]4)CC3)oc2cc1C ZINC000186445903 1035635978 /nfs/dbraw/zinc/63/59/78/1035635978.db2.gz GXSUTIKLPNUPMD-UHFFFAOYSA-N 1 2 349.434 3.797 10 0 EHAELO C[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000334067485 1138367477 /nfs/dbraw/zinc/36/74/77/1138367477.db2.gz DUSORYLVZJRSNT-XGXHKWSGSA-N 1 2 344.503 3.692 10 0 EHAELO Cc1cc(C)c(C(N)=S)c(Nc2cccc(Br)c2)[nH+]1 ZINC000104173978 219355928 /nfs/dbraw/zinc/35/59/28/219355928.db2.gz MDJPRODMDRAGDY-UHFFFAOYSA-N 1 2 336.258 3.839 10 0 EHAELO CC(C)(C)n1cc(CN2CCC[C@@H]2c2[nH]c3c([nH+]2)CCCC3)cn1 ZINC000328651046 258020831 /nfs/dbraw/zinc/02/08/31/258020831.db2.gz VUJOVDASSZRKRT-QGZVFWFLSA-N 1 2 327.476 3.577 10 0 EHAELO CO[C@@]1(C)CC/C(=C\c2ccc(Cl)cc2)C[C@@]1(O)Cn1cc[nH+]c1 ZINC000058976324 563947460 /nfs/dbraw/zinc/94/74/60/563947460.db2.gz MVCJQNURLZMSFL-ZGKJJNTQSA-N 1 2 346.858 3.940 10 0 EHAELO Cc1noc2ncnc(NCCCc3[nH]c4ccc(Cl)cc4[nH+]3)c12 ZINC000091680041 563975665 /nfs/dbraw/zinc/97/56/65/563975665.db2.gz LVVGREOJVDPSNB-UHFFFAOYSA-N 1 2 342.790 3.501 10 0 EHAELO COc1cc(C[NH2+][C@H](c2nccs2)c2ccccc2)ccc1O ZINC000183311603 1032190925 /nfs/dbraw/zinc/19/09/25/1032190925.db2.gz FYUWJEQLLTYVRJ-KRWDZBQOSA-N 1 2 326.421 3.737 10 0 EHAELO c1cnn([C@H]2CCCC[C@H]2[NH2+]Cc2noc(C3CCCCC3)n2)c1 ZINC000128452145 1027438972 /nfs/dbraw/zinc/43/89/72/1027438972.db2.gz WGLPVXUNOCSBQM-CVEARBPZSA-N 1 2 329.448 3.587 10 0 EHAELO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2cc(F)ccc21)c1nnc2n1CCCC2 ZINC000130972605 1027721400 /nfs/dbraw/zinc/72/14/00/1027721400.db2.gz HOYBKQUNZPOAJL-DOMZBBRYSA-N 1 2 344.434 3.707 10 0 EHAELO FC(F)(F)c1ncc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)s1 ZINC000375734215 1028754251 /nfs/dbraw/zinc/75/42/51/1028754251.db2.gz WCXVHPCIPRZZMS-HNNXBMFYSA-N 1 2 340.370 3.793 10 0 EHAELO FC(F)(F)c1ncc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)s1 ZINC000375734215 1028754262 /nfs/dbraw/zinc/75/42/62/1028754262.db2.gz WCXVHPCIPRZZMS-HNNXBMFYSA-N 1 2 340.370 3.793 10 0 EHAELO CC(C)(C)c1csc([C@H]2C[N@H+](C[C@H]3CCC(C)(C)O3)CCO2)n1 ZINC000248584657 1028922071 /nfs/dbraw/zinc/92/20/71/1028922071.db2.gz UYDACECJNOPMOA-ZIAGYGMSSA-N 1 2 338.517 3.772 10 0 EHAELO CC(C)(C)c1csc([C@H]2C[N@@H+](C[C@H]3CCC(C)(C)O3)CCO2)n1 ZINC000248584657 1028922083 /nfs/dbraw/zinc/92/20/83/1028922083.db2.gz UYDACECJNOPMOA-ZIAGYGMSSA-N 1 2 338.517 3.772 10 0 EHAELO Cc1cccc(Cl)c1NC(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245681010 1029000850 /nfs/dbraw/zinc/00/08/50/1029000850.db2.gz RULFRYINRJPJNM-HUUCEWRRSA-N 1 2 338.904 3.947 10 0 EHAELO Cc1cccc(Cl)c1NC(=O)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245681010 1029000864 /nfs/dbraw/zinc/00/08/64/1029000864.db2.gz RULFRYINRJPJNM-HUUCEWRRSA-N 1 2 338.904 3.947 10 0 EHAELO C[C@@H]1COCCN1c1ccc([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000246079771 1029633889 /nfs/dbraw/zinc/63/38/89/1029633889.db2.gz GRJSTUURJHGJPR-AXUOBQJMSA-N 1 2 330.472 3.527 10 0 EHAELO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177798376 1031569374 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c1csc([C@@H]2CCC[N@H+](Cc3noc(-c4ccccc4)n3)C2)n1 ZINC000195441656 1028610436 /nfs/dbraw/zinc/61/04/36/1028610436.db2.gz OQYHLCHXBYMEEY-CQSZACIVSA-N 1 2 326.425 3.573 10 0 EHAELO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000248634379 1028931971 /nfs/dbraw/zinc/93/19/71/1028931971.db2.gz XJHCTWVCWGNNBC-RRFJBIMHSA-N 1 2 329.444 3.686 10 0 EHAELO Cc1csc2nc(C)nc(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c12 ZINC000274720937 1029846456 /nfs/dbraw/zinc/84/64/56/1029846456.db2.gz XUKGFUNZBOLRGR-RISCZKNCSA-N 1 2 327.457 3.592 10 0 EHAELO CC(C)(CCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000157737090 1030814880 /nfs/dbraw/zinc/81/48/80/1030814880.db2.gz OSUZUOAPNQPVJF-SFHVURJKSA-N 1 2 325.456 3.632 10 0 EHAELO C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000177352326 1031559129 /nfs/dbraw/zinc/55/91/29/1031559129.db2.gz OYMZQBPQRSJYRS-OXQOHEQNSA-N 1 2 348.450 3.972 10 0 EHAELO CC[C@H](C)Oc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000180444091 1031855413 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Cc1cc(Cl)c(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1C ZINC000186376301 1035647837 /nfs/dbraw/zinc/64/78/37/1035647837.db2.gz LDYORTVORUPBTL-UHFFFAOYSA-N 1 2 343.858 3.704 10 0 EHAELO Clc1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c2c(c1)COCO2 ZINC000114484403 1037800170 /nfs/dbraw/zinc/80/01/70/1037800170.db2.gz GIVPUMRBWGMWDC-MRXNPFEDSA-N 1 2 333.819 3.657 10 0 EHAELO Clc1cc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c2c(c1)COCO2 ZINC000114484403 1037800188 /nfs/dbraw/zinc/80/01/88/1037800188.db2.gz GIVPUMRBWGMWDC-MRXNPFEDSA-N 1 2 333.819 3.657 10 0 EHAELO CC[C@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000162515699 1042736033 /nfs/dbraw/zinc/73/60/33/1042736033.db2.gz XHFLWGBOACZDOR-ICSRJNTNSA-N 1 2 348.450 3.878 10 0 EHAELO C[C@H](CC1CC1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247548537 1043797268 /nfs/dbraw/zinc/79/72/68/1043797268.db2.gz QRJVWKCYMOYJJR-ZMYBRWDISA-N 1 2 338.455 3.600 10 0 EHAELO CCOC(=O)c1ccc(-c2c[nH+]c(C)nc2NC2CCCC2)cc1 ZINC000028824771 201387922 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EHAELO O=C(c1ccc2nc(Cl)ccc2c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101950653 1137872293 /nfs/dbraw/zinc/87/22/93/1137872293.db2.gz RHFXRGRAGXEVEP-UHFFFAOYSA-N 1 2 340.814 3.562 10 0 EHAELO COc1ccc(Br)cc1[C@H]([NH3+])C(F)(F)C(F)(F)F ZINC000037034638 202335151 /nfs/dbraw/zinc/33/51/51/202335151.db2.gz OTGYAXZWHOGQMT-QMMMGPOBSA-N 1 2 334.082 3.655 10 0 EHAELO Cn1c2ccccc2nc1CN1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2 ZINC000275538115 564009201 /nfs/dbraw/zinc/00/92/01/564009201.db2.gz MMENPSCHAWJEII-LJQANCHMSA-N 1 2 349.482 3.523 10 0 EHAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2csc3ccccc23)C1 ZINC000189335125 564015023 /nfs/dbraw/zinc/01/50/23/564015023.db2.gz BBPFUVJGJCLXEQ-DZGCQCFKSA-N 1 2 329.425 3.555 10 0 EHAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2csc3ccccc23)C1 ZINC000189335125 564015024 /nfs/dbraw/zinc/01/50/24/564015024.db2.gz BBPFUVJGJCLXEQ-DZGCQCFKSA-N 1 2 329.425 3.555 10 0 EHAELO O=C(Nc1cc(F)cc(Cl)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184126541 1032256429 /nfs/dbraw/zinc/25/64/29/1032256429.db2.gz GEGXIMCQMCFJFV-UHFFFAOYSA-N 1 2 348.809 3.618 10 0 EHAELO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120129667 1022392448 /nfs/dbraw/zinc/39/24/48/1022392448.db2.gz GQTQLOLQGQCFSE-ABAIWWIYSA-N 1 2 333.819 3.815 10 0 EHAELO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120129667 1022392462 /nfs/dbraw/zinc/39/24/62/1022392462.db2.gz GQTQLOLQGQCFSE-ABAIWWIYSA-N 1 2 333.819 3.815 10 0 EHAELO CCc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000246413109 1028479562 /nfs/dbraw/zinc/47/95/62/1028479562.db2.gz BITCECIYECVOAK-ZIAGYGMSSA-N 1 2 335.473 3.562 10 0 EHAELO CCc1nc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000246413109 1028479571 /nfs/dbraw/zinc/47/95/71/1028479571.db2.gz BITCECIYECVOAK-ZIAGYGMSSA-N 1 2 335.473 3.562 10 0 EHAELO C[C@@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)[C@@H](c2ccccc2)CO1 ZINC000245801910 1029318030 /nfs/dbraw/zinc/31/80/30/1029318030.db2.gz XYKRSAVSUBPCIW-YLJYHZDGSA-N 1 2 337.467 3.644 10 0 EHAELO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)[C@@H](c2ccccc2)CO1 ZINC000245801910 1029318041 /nfs/dbraw/zinc/31/80/41/1029318041.db2.gz XYKRSAVSUBPCIW-YLJYHZDGSA-N 1 2 337.467 3.644 10 0 EHAELO CCS[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000247113290 1030893960 /nfs/dbraw/zinc/89/39/60/1030893960.db2.gz AEYXNCIYTAAREW-NWDGAFQWSA-N 1 2 338.502 3.720 10 0 EHAELO CCS[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000247113290 1030893981 /nfs/dbraw/zinc/89/39/81/1030893981.db2.gz AEYXNCIYTAAREW-NWDGAFQWSA-N 1 2 338.502 3.720 10 0 EHAELO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177775902 1031566899 /nfs/dbraw/zinc/56/68/99/1031566899.db2.gz JBISOLRZPDHYLT-HNNXBMFYSA-N 1 2 344.484 3.610 10 0 EHAELO CC(C)(C)[C@H]1OCC[C@@H]1c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000190396247 1036234609 /nfs/dbraw/zinc/23/46/09/1036234609.db2.gz JXJSDCORWXFSFZ-HOTGVXAUSA-N 1 2 338.411 3.841 10 0 EHAELO FC(F)n1ccnc1C[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000162223654 1042712473 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329.444 3.539 10 0 EHAELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000190098527 1140386548 /nfs/dbraw/zinc/38/65/48/1140386548.db2.gz HDMAJSHFFUQWBM-QZTJIDSGSA-N 1 2 329.444 3.539 10 0 EHAELO [NH3+][C@@H](c1nc(-c2cccc(Br)c2)no1)c1ccccc1 ZINC000034973411 202282320 /nfs/dbraw/zinc/28/23/20/202282320.db2.gz BNWMONGDHVIVPX-CYBMUJFWSA-N 1 2 330.185 3.547 10 0 EHAELO Cc1ccc2nc(C[NH2+]Cc3c[nH]nc3-c3cccs3)[nH]c2c1C ZINC000067785515 564166648 /nfs/dbraw/zinc/16/66/48/564166648.db2.gz IYVYZHKRBFBLBF-UHFFFAOYSA-N 1 2 337.452 3.921 10 0 EHAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180492348 1016899692 /nfs/dbraw/zinc/89/96/92/1016899692.db2.gz BKXMPPFWXMGJFJ-HOCLYGCPSA-N 1 2 345.487 3.628 10 0 EHAELO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CCOc2ccccc21 ZINC000060672376 1028416860 /nfs/dbraw/zinc/41/68/60/1028416860.db2.gz WZKPSECWWSHKEL-VQFGERMISA-N 1 2 345.402 3.526 10 0 EHAELO O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000248726118 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CCC(=O)N(Cc1[nH+]ccn1Cc1c(F)cccc1Cl)C(C)C ZINC000006689208 564095895 /nfs/dbraw/zinc/09/58/95/564095895.db2.gz RWAMMTLUHXQPLT-UHFFFAOYSA-N 1 2 337.826 3.871 10 0 EHAELO Cc1oc2nc(C[N@@H+]3CC[C@H](C(F)(F)F)C3(C)C)nc(N)c2c1C ZINC000407951290 1016473248 /nfs/dbraw/zinc/47/32/48/1016473248.db2.gz CQJITFBZQBQMBG-JTQLQIEISA-N 1 2 342.365 3.585 10 0 EHAELO Cc1oc2nc(C[N@H+]3CC[C@H](C(F)(F)F)C3(C)C)nc(N)c2c1C ZINC000407951290 1016473266 /nfs/dbraw/zinc/47/32/66/1016473266.db2.gz CQJITFBZQBQMBG-JTQLQIEISA-N 1 2 342.365 3.585 10 0 EHAELO O=C(Nc1ccc(Cl)c(F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184075411 1032249248 /nfs/dbraw/zinc/24/92/48/1032249248.db2.gz AGYQCMATFNQXAG-UHFFFAOYSA-N 1 2 348.809 3.618 10 0 EHAELO CCCc1nc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)no1 ZINC000247324851 1028776936 /nfs/dbraw/zinc/77/69/36/1028776936.db2.gz XVQSNVSVNWSILP-LSDHHAIUSA-N 1 2 349.500 3.952 10 0 EHAELO CCCc1nc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)no1 ZINC000247324851 1028776947 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CC[C@H](C)[NH2+][C@](CC)(C(=O)OC)c1ccc(Br)cc1 ZINC000038066681 202392163 /nfs/dbraw/zinc/39/21/63/202392163.db2.gz YWFLFMOEGCZBFQ-NHYWBVRUSA-N 1 2 328.250 3.616 10 0 EHAELO Cc1nc(N2CCC[C@H]2c2nc3ccccc3[nH]2)c2c([nH+]1)CCCC2 ZINC000329290307 1025729968 /nfs/dbraw/zinc/72/99/68/1025729968.db2.gz AKJAHIYRSNFEQW-SFHVURJKSA-N 1 2 333.439 3.882 10 0 EHAELO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000129065523 1027518355 /nfs/dbraw/zinc/51/83/55/1027518355.db2.gz BPLPGFIORSUYGQ-LBPRGKRZSA-N 1 2 330.407 3.724 10 0 EHAELO c1csc(-c2nc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)cs2)c1 ZINC000247317531 1028776432 /nfs/dbraw/zinc/77/64/32/1028776432.db2.gz VXTBDPFBTDOSOM-OCCSQVGLSA-N 1 2 338.523 3.578 10 0 EHAELO c1csc(-c2nc(C[N@H+]3CCS[C@H]4COCC[C@H]43)cs2)c1 ZINC000247317531 1028776442 /nfs/dbraw/zinc/77/64/42/1028776442.db2.gz VXTBDPFBTDOSOM-OCCSQVGLSA-N 1 2 338.523 3.578 10 0 EHAELO C[C@H](CCCc1ccccc1)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000181209533 1031954993 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EHAELO CCS(=O)(=O)CCCCC[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000191118587 1036341129 /nfs/dbraw/zinc/34/11/29/1036341129.db2.gz ZWXNGWPUPHMRBX-UHFFFAOYSA-N 1 2 339.476 3.520 10 0 EHAELO CCS(=O)(=O)CCCCC[N@@H+]1CC=C(c2ccccc2F)CC1 ZINC000191118587 1036341145 /nfs/dbraw/zinc/34/11/45/1036341145.db2.gz ZWXNGWPUPHMRBX-UHFFFAOYSA-N 1 2 339.476 3.520 10 0 EHAELO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000408356048 1043641780 /nfs/dbraw/zinc/64/17/80/1043641780.db2.gz PACKVXWFFCXPAR-BZSNNMDCSA-N 1 2 346.519 3.599 10 0 EHAELO COc1ccccc1CC1CC[NH+](Cc2ncc(Cl)n2C)CC1 ZINC000102410439 1135550289 /nfs/dbraw/zinc/55/02/89/1135550289.db2.gz WWZZRYFTGCSLJV-UHFFFAOYSA-N 1 2 333.863 3.537 10 0 EHAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180492330 1016899165 /nfs/dbraw/zinc/89/91/65/1016899165.db2.gz BKXMPPFWXMGJFJ-GOEBONIOSA-N 1 2 345.487 3.628 10 0 EHAELO c1csc([C@H]2CCC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)n1 ZINC000195441573 1028610740 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CC(C)OCc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000176348751 1031429557 /nfs/dbraw/zinc/42/95/57/1031429557.db2.gz ONLIQICFUIUUBO-GOSISDBHSA-N 1 2 342.443 3.505 10 0 EHAELO C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000177352311 1031559501 /nfs/dbraw/zinc/55/95/01/1031559501.db2.gz OYMZQBPQRSJYRS-OXJNMPFZSA-N 1 2 348.450 3.972 10 0 EHAELO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC=C(c2cccs2)CC1 ZINC000117724261 1031843420 /nfs/dbraw/zinc/84/34/20/1031843420.db2.gz XWFONDPPCWUQIX-UHFFFAOYSA-N 1 2 335.432 3.863 10 0 EHAELO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000180444111 1031857059 /nfs/dbraw/zinc/85/70/59/1031857059.db2.gz MATQHRBIQMNUNV-WBVHZDCISA-N 1 2 342.443 3.757 10 0 EHAELO COc1cc(C[NH2+][C@H](c2ccco2)c2ccccc2OC)ccc1O ZINC000180176336 1031864274 /nfs/dbraw/zinc/86/42/74/1031864274.db2.gz ZXQCWEAPJDYLPT-FQEVSTJZSA-N 1 2 339.391 3.882 10 0 EHAELO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000182053700 1032055329 /nfs/dbraw/zinc/05/53/29/1032055329.db2.gz UMWWHCRVJVGIAN-BFUOFWGJSA-N 1 2 349.438 3.512 10 0 EHAELO CN(CCC1CCCCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000101608045 1033862614 /nfs/dbraw/zinc/86/26/14/1033862614.db2.gz UYGUMAUUYDFWOF-UHFFFAOYSA-N 1 2 344.503 3.662 10 0 EHAELO C[C@@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000188982852 1035999354 /nfs/dbraw/zinc/99/93/54/1035999354.db2.gz QYCUTLVKHURHBM-KBPBESRZSA-N 1 2 346.504 3.575 10 0 EHAELO C[C@@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000188982852 1035999365 /nfs/dbraw/zinc/99/93/65/1035999365.db2.gz QYCUTLVKHURHBM-KBPBESRZSA-N 1 2 346.504 3.575 10 0 EHAELO CO[C@H](C)c1cccc(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000105032965 1037140038 /nfs/dbraw/zinc/14/00/38/1037140038.db2.gz NHISYAANKKLQQD-OAHLLOKOSA-N 1 2 342.443 3.803 10 0 EHAELO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162614397 1042742643 /nfs/dbraw/zinc/74/26/43/1042742643.db2.gz ISOUKLQYVLLMDM-PMACEKPBSA-N 1 2 348.450 3.878 10 0 EHAELO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162614130 1042743249 /nfs/dbraw/zinc/74/32/49/1042743249.db2.gz ISOUKLQYVLLMDM-UXHICEINSA-N 1 2 348.450 3.878 10 0 EHAELO C[C@H](CC1CC1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247548529 1043797027 /nfs/dbraw/zinc/79/70/27/1043797027.db2.gz QRJVWKCYMOYJJR-NIKGAXFTSA-N 1 2 338.455 3.600 10 0 EHAELO COc1ccc2c3c1Oc1cc(OC)c(OC)cc1C[C@@H]3[N@H+](C)CC2 ZINC000030726877 291002407 /nfs/dbraw/zinc/00/24/07/291002407.db2.gz DTMXRZMJFCVJQS-AWEZNQCLSA-N 1 2 341.407 3.590 10 0 biogenic,in-vitro EHAELO COc1ccc2c3c1Oc1cc(OC)c(OC)cc1C[C@@H]3[N@@H+](C)CC2 ZINC000030726877 291002408 /nfs/dbraw/zinc/00/24/08/291002408.db2.gz DTMXRZMJFCVJQS-AWEZNQCLSA-N 1 2 341.407 3.590 10 0 biogenic,in-vitro EHAELO Cc1noc(C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)n1 ZINC000038034459 202090800 /nfs/dbraw/zinc/09/08/00/202090800.db2.gz JOKKVXAKBWVPTE-MRVPVSSYSA-N 1 2 336.189 3.738 10 0 EHAELO [NH3+][C@H](c1nc(-c2cccc(Br)c2)no1)c1ccccc1 ZINC000034973409 202282767 /nfs/dbraw/zinc/28/27/67/202282767.db2.gz BNWMONGDHVIVPX-ZDUSSCGKSA-N 1 2 330.185 3.547 10 0 EHAELO CC[C@H](C)[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)OC ZINC000038003040 202384846 /nfs/dbraw/zinc/38/48/46/202384846.db2.gz UOBVFBPKGZQQBZ-AUTRQRHGSA-N 1 2 334.279 3.749 10 0 EHAELO CCCCc1[nH+]c2ccccc2n1Cc1nc2ccccc2n1CCO ZINC000044787204 201103673 /nfs/dbraw/zinc/10/36/73/201103673.db2.gz TXTZJXMEXTUDGG-UHFFFAOYSA-N 1 2 348.450 3.769 10 0 EHAELO CC(C)=CC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000022833050 212326486 /nfs/dbraw/zinc/32/64/86/212326486.db2.gz XAEALVMUCKKZMA-UHFFFAOYSA-N 1 2 327.453 3.606 10 0 EHAELO CC(C)=CC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000022833050 212326488 /nfs/dbraw/zinc/32/64/88/212326488.db2.gz XAEALVMUCKKZMA-UHFFFAOYSA-N 1 2 327.453 3.606 10 0 EHAELO CC(C)[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000138869382 1017009533 /nfs/dbraw/zinc/00/95/33/1017009533.db2.gz PACKVXWFFCXPAR-FGTMMUONSA-N 1 2 346.519 3.599 10 0 EHAELO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000247977645 1021478254 /nfs/dbraw/zinc/47/82/54/1021478254.db2.gz GQTQLOLQGQCFSE-IAQYHMDHSA-N 1 2 333.819 3.815 10 0 EHAELO C[C@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000247977645 1021478268 /nfs/dbraw/zinc/47/82/68/1021478268.db2.gz GQTQLOLQGQCFSE-IAQYHMDHSA-N 1 2 333.819 3.815 10 0 EHAELO CC(C)[C@H]1CC[C@H](C(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000248721758 1028941919 /nfs/dbraw/zinc/94/19/19/1028941919.db2.gz HYRQSPVSBYKYPB-IYARVYRRSA-N 1 2 329.488 3.583 10 0 EHAELO Cc1csc(C2CC[NH+](Cc3nc(CCC(C)C)no3)CC2)n1 ZINC000156798340 1030025197 /nfs/dbraw/zinc/02/51/97/1030025197.db2.gz VZFVAXMLXBUKMK-UHFFFAOYSA-N 1 2 334.489 3.803 10 0 EHAELO CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186063195 1035574140 /nfs/dbraw/zinc/57/41/40/1035574140.db2.gz YQJNCCNINYMOMD-HNNXBMFYSA-N 1 2 346.434 3.953 10 0 EHAELO O=C(/C=C/c1ccc(Cl)s1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186411631 1035630307 /nfs/dbraw/zinc/63/03/07/1035630307.db2.gz NLCAEMHVLGSLDK-SOFGYWHQSA-N 1 2 347.871 3.549 10 0 EHAELO CCOC(=O)[C@@](C)([NH2+]C1CCCC1)c1ccc(Br)cc1 ZINC000037970630 202071303 /nfs/dbraw/zinc/07/13/03/202071303.db2.gz JDLHTKDPMAVALJ-INIZCTEOSA-N 1 2 340.261 3.760 10 0 EHAELO Fc1ccc(OC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CCO2)cc1 ZINC000034686954 202275423 /nfs/dbraw/zinc/27/54/23/202275423.db2.gz XVILCUKMMVMQRC-GOSISDBHSA-N 1 2 335.806 3.759 10 0 EHAELO Fc1ccc(OC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CCO2)cc1 ZINC000034686954 202275428 /nfs/dbraw/zinc/27/54/28/202275428.db2.gz XVILCUKMMVMQRC-GOSISDBHSA-N 1 2 335.806 3.759 10 0 EHAELO O=C(NC1CC1)[C@H]([NH2+][C@@H](c1ccoc1)c1ccccc1)c1ccccc1 ZINC000069900543 202297661 /nfs/dbraw/zinc/29/76/61/202297661.db2.gz ZBVFZOYHSUAJAD-NHCUHLMSSA-N 1 2 346.430 3.979 10 0 EHAELO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1nc3ccccc3o1)CCCC2 ZINC000328628412 258031061 /nfs/dbraw/zinc/03/10/61/258031061.db2.gz HEZNCQRFVVGTAP-QGZVFWFLSA-N 1 2 336.439 3.777 10 0 EHAELO Cn1nc(-c2ccccc2)c(C[N@H+](C)Cc2ccncc2)c1Cl ZINC000183744747 1032202101 /nfs/dbraw/zinc/20/21/01/1032202101.db2.gz OOKHBAOEMFIBQO-UHFFFAOYSA-N 1 2 326.831 3.768 10 0 EHAELO Cn1nc(-c2ccccc2)c(C[N@@H+](C)Cc2ccncc2)c1Cl ZINC000183744747 1032202113 /nfs/dbraw/zinc/20/21/13/1032202113.db2.gz OOKHBAOEMFIBQO-UHFFFAOYSA-N 1 2 326.831 3.768 10 0 EHAELO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)no2)cc1F ZINC000102699723 1025521091 /nfs/dbraw/zinc/52/10/91/1025521091.db2.gz PJVGNRRAMSMQEM-LLVKDONJSA-N 1 2 345.349 3.874 10 0 EHAELO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000245664872 1028987436 /nfs/dbraw/zinc/98/74/36/1028987436.db2.gz IPJNMJFXSMXXDC-IAGOWNOFSA-N 1 2 349.356 3.671 10 0 EHAELO C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H]1c1ccc(F)c(F)c1 ZINC000245664872 1028987456 /nfs/dbraw/zinc/98/74/56/1028987456.db2.gz IPJNMJFXSMXXDC-IAGOWNOFSA-N 1 2 349.356 3.671 10 0 EHAELO CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000245705982 1029075112 /nfs/dbraw/zinc/07/51/12/1029075112.db2.gz FAEGLXHIBLBJIR-VLIAUNLRSA-N 1 2 342.414 3.746 10 0 EHAELO CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000245705982 1029075126 /nfs/dbraw/zinc/07/51/26/1029075126.db2.gz FAEGLXHIBLBJIR-VLIAUNLRSA-N 1 2 342.414 3.746 10 0 EHAELO Cc1ccc([C@H]2CN(Cc3c[nH+]c(C)n3-c3ccccc3)CCO2)o1 ZINC000093864868 1030688219 /nfs/dbraw/zinc/68/82/19/1030688219.db2.gz DZHBKXMTMVSDKS-HXUWFJFHSA-N 1 2 337.423 3.656 10 0 EHAELO Cc1cc(CCCC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(C)s1 ZINC000175465803 1031339025 /nfs/dbraw/zinc/33/90/25/1031339025.db2.gz FUBJDRHLVOWXNC-KRWDZBQOSA-N 1 2 331.485 3.575 10 0 EHAELO Fc1ccc(F)c([C@H]2CCC[N@H+](Cc3nnc(-c4ccco4)o3)C2)c1 ZINC000191677295 1036405932 /nfs/dbraw/zinc/40/59/32/1036405932.db2.gz DDGGMRFFQCGSOW-LBPRGKRZSA-N 1 2 345.349 3.987 10 0 EHAELO Fc1ccc(F)c([C@H]2CCC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)c1 ZINC000191677295 1036405940 /nfs/dbraw/zinc/40/59/40/1036405940.db2.gz DDGGMRFFQCGSOW-LBPRGKRZSA-N 1 2 345.349 3.987 10 0 EHAELO O=C(CC[NH+]1CCN(c2ccccc2Cl)CC1)c1ccccc1 ZINC000053195026 214168754 /nfs/dbraw/zinc/16/87/54/214168754.db2.gz NCLLHIIDGKNHRA-UHFFFAOYSA-N 1 2 328.843 3.735 10 0 EHAELO COc1c(F)ccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)c1F ZINC000055089984 214271971 /nfs/dbraw/zinc/27/19/71/214271971.db2.gz XOXYWZBAAYCPDB-MRXNPFEDSA-N 1 2 348.393 3.550 10 0 EHAELO COc1c(F)ccc(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)c1F ZINC000055089984 214271974 /nfs/dbraw/zinc/27/19/74/214271974.db2.gz XOXYWZBAAYCPDB-MRXNPFEDSA-N 1 2 348.393 3.550 10 0 EHAELO COc1ccc(CSc2ccc(N)[nH+]c2)cc1Br ZINC000049596402 214020958 /nfs/dbraw/zinc/02/09/58/214020958.db2.gz NJWCQRISHITZFT-UHFFFAOYSA-N 1 2 325.231 3.727 10 0 EHAELO CCOc1ccc(NC(=O)Cn2c(C)[nH+]c3cc(C)c(C)cc32)cc1 ZINC000040295568 213289727 /nfs/dbraw/zinc/28/97/27/213289727.db2.gz ZTJMLOLGACARCH-UHFFFAOYSA-N 1 2 337.423 3.999 10 0 EHAELO CCOC(=O)[C@@H]([NH2+]C1CCCCC1)c1ccc(Br)cc1 ZINC000037972216 213177820 /nfs/dbraw/zinc/17/78/20/213177820.db2.gz JVQXNFWBOCYKFN-HNNXBMFYSA-N 1 2 340.261 3.976 10 0 EHAELO C[C@@H](c1nccs1)[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088798 218279032 /nfs/dbraw/zinc/27/90/32/218279032.db2.gz FOKSCZQUVJGVOZ-STQMWFEESA-N 1 2 325.478 3.535 10 0 EHAELO C[C@@H](c1nccs1)[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088798 218279033 /nfs/dbraw/zinc/27/90/33/218279033.db2.gz FOKSCZQUVJGVOZ-STQMWFEESA-N 1 2 325.478 3.535 10 0 EHAELO C[C@@]1(c2ccccc2)[NH2+]CC(=O)Nc2ccc(-c3ccc(O)cc3)cc21 ZINC000095092876 218280022 /nfs/dbraw/zinc/28/00/22/218280022.db2.gz HXJNZSXZFBNFLG-QFIPXVFZSA-N 1 2 344.414 3.864 10 0 EHAELO Cn1c2c([nH+]c1[C@H]1CCCN1Cc1ccncc1Cl)CCCC2 ZINC000328625667 258032990 /nfs/dbraw/zinc/03/29/90/258032990.db2.gz DKCYIQYIXXMBIL-QGZVFWFLSA-N 1 2 330.863 3.684 10 0 EHAELO O=C(Cn1c2ccccc2[nH+]c1C1CC1)N1CCCc2ccccc21 ZINC000040231731 132399184 /nfs/dbraw/zinc/39/91/84/132399184.db2.gz WUMGLWJUOMVNJH-UHFFFAOYSA-N 1 2 331.419 3.893 10 0 EHAELO COc1ccc(NC(=O)c2cc3c(s2)C[N@@H+](C2CC2)C3)c(C)c1 ZINC000065238878 568421267 /nfs/dbraw/zinc/42/12/67/568421267.db2.gz CGTHOMZNKSKYHL-UHFFFAOYSA-N 1 2 328.437 3.795 10 0 EHAELO COc1ccc(NC(=O)c2cc3c(s2)C[N@H+](C2CC2)C3)c(C)c1 ZINC000065238878 568421268 /nfs/dbraw/zinc/42/12/68/568421268.db2.gz CGTHOMZNKSKYHL-UHFFFAOYSA-N 1 2 328.437 3.795 10 0 EHAELO CC(C)(C)c1csc([C@H]2C[N@H+](C[C@@H]3CCC(C)(C)O3)CCO2)n1 ZINC000248584656 1028923513 /nfs/dbraw/zinc/92/35/13/1028923513.db2.gz UYDACECJNOPMOA-UONOGXRCSA-N 1 2 338.517 3.772 10 0 EHAELO CC(C)(C)c1csc([C@H]2C[N@@H+](C[C@@H]3CCC(C)(C)O3)CCO2)n1 ZINC000248584656 1028923531 /nfs/dbraw/zinc/92/35/31/1028923531.db2.gz UYDACECJNOPMOA-UONOGXRCSA-N 1 2 338.517 3.772 10 0 EHAELO O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000248726111 1028942383 /nfs/dbraw/zinc/94/23/83/1028942383.db2.gz KPXMXKWUKOXVOD-CEXWTWQISA-N 1 2 341.499 3.727 10 0 EHAELO COc1cc(C[NH2+][C@H](c2cccc(F)c2)c2ccccn2)ccc1O ZINC000180169527 1031864309 /nfs/dbraw/zinc/86/43/09/1031864309.db2.gz YOPHKNVXMPUHHY-HXUWFJFHSA-N 1 2 338.382 3.814 10 0 EHAELO C[C@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000186409446 1035629058 /nfs/dbraw/zinc/62/90/58/1035629058.db2.gz RHTCINAIDWQYQY-ZDUSSCGKSA-N 1 2 349.887 3.639 10 0 EHAELO CCCNc1nc[nH+]c(Nc2ccc(OC(F)(F)F)cc2)c1N ZINC000040707920 213371892 /nfs/dbraw/zinc/37/18/92/213371892.db2.gz DPRWPBQMUGZURN-UHFFFAOYSA-N 1 2 327.310 3.523 10 0 EHAELO CCCNc1[nH+]cnc(Nc2ccc(OC(F)(F)F)cc2)c1N ZINC000040707920 213371896 /nfs/dbraw/zinc/37/18/96/213371896.db2.gz DPRWPBQMUGZURN-UHFFFAOYSA-N 1 2 327.310 3.523 10 0 EHAELO CC(C)Nc1[nH+]cnc(Nc2ccc(Br)cc2F)c1N ZINC000040708284 213371432 /nfs/dbraw/zinc/37/14/32/213371432.db2.gz ILSSXNNLGMGRJS-UHFFFAOYSA-N 1 2 340.200 3.524 10 0 EHAELO CCOC(=O)[C@@](CC)([NH2+]C(C)C)c1ccc(Br)cc1 ZINC000037446131 213147891 /nfs/dbraw/zinc/14/78/91/213147891.db2.gz KTMJZKPIHMYVOD-HNNXBMFYSA-N 1 2 328.250 3.616 10 0 EHAELO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000078516348 217067618 /nfs/dbraw/zinc/06/76/18/217067618.db2.gz QTOWWCYDVQQUKD-DVECYGJZSA-N 1 2 343.492 3.646 10 0 EHAELO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1CC[S@@](=O)c1ccccc1 ZINC000078516348 217067620 /nfs/dbraw/zinc/06/76/20/217067620.db2.gz QTOWWCYDVQQUKD-DVECYGJZSA-N 1 2 343.492 3.646 10 0 EHAELO CCc1ccc(C[NH2+][C@@H](c2nc(C(C)C)no2)C2CCOCC2)o1 ZINC000328622928 564137000 /nfs/dbraw/zinc/13/70/00/564137000.db2.gz ITUDLCBSPXXPBN-MRXNPFEDSA-N 1 2 333.432 3.606 10 0 EHAELO O=C(Nc1cccc(C(F)F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184098389 1032252482 /nfs/dbraw/zinc/25/24/82/1032252482.db2.gz ISLZVZHHQQUZKH-UHFFFAOYSA-N 1 2 346.381 3.763 10 0 EHAELO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC000098137043 1024579942 /nfs/dbraw/zinc/57/99/42/1024579942.db2.gz YNWHHTUEQUFVIK-CQSZACIVSA-N 1 2 329.444 3.972 10 0 EHAELO CC(C)(C)n1ncc2c1nc[nH+]c2N1CC2(CCCC2)OC(C)(C)C1 ZINC000302674262 1027232331 /nfs/dbraw/zinc/23/23/31/1027232331.db2.gz PDWXFWHJTSXADN-UHFFFAOYSA-N 1 2 343.475 3.509 10 0 EHAELO c1cnn(-c2ccccc2C[NH2+][C@@H](c2cccs2)c2ncc[nH]2)c1 ZINC000195082583 1028578049 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Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCC[C@H](CO)C1 ZINC000095090258 218280193 /nfs/dbraw/zinc/28/01/93/218280193.db2.gz YCFBBNPSJAKZOB-KRWDZBQOSA-N 1 2 335.451 3.602 10 0 EHAELO Cc1ccccc1N1C(=O)C[N@@H+](Cc2c[nH]c3ccccc23)C[C@H]1C ZINC000015003758 564052226 /nfs/dbraw/zinc/05/22/26/564052226.db2.gz IHLFWNXFGCFJQU-MRXNPFEDSA-N 1 2 333.435 3.714 10 0 EHAELO Cc1ccccc1N1C(=O)C[N@H+](Cc2c[nH]c3ccccc23)C[C@H]1C ZINC000015003758 564052227 /nfs/dbraw/zinc/05/22/27/564052227.db2.gz IHLFWNXFGCFJQU-MRXNPFEDSA-N 1 2 333.435 3.714 10 0 EHAELO Cc1cc(C[NH2+][C@@H](c2nc(C(C)C)no2)C2CCOCC2)c(C)o1 ZINC000328639646 564056057 /nfs/dbraw/zinc/05/60/57/564056057.db2.gz WXOZWEBFYIUNFH-MRXNPFEDSA-N 1 2 333.432 3.660 10 0 EHAELO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)c3nc(-c4cccs4)no3)C2)c1 ZINC000247203978 1024500533 /nfs/dbraw/zinc/50/05/33/1024500533.db2.gz PFIOPDJSDZOTKL-KGLIPLIRSA-N 1 2 343.456 3.701 10 0 EHAELO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)c3nc(-c4cccs4)no3)C2)c1 ZINC000247203978 1024500539 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10 0 EHAELO C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)C[C@@H](c2ccsc2)O1 ZINC000245693666 1029019878 /nfs/dbraw/zinc/01/98/78/1029019878.db2.gz BXQUNRQVHUPBCW-YJBOKZPZSA-N 1 2 343.496 3.705 10 0 EHAELO C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)C[C@@H](c2ccsc2)O1 ZINC000245693666 1029019894 /nfs/dbraw/zinc/01/98/94/1029019894.db2.gz BXQUNRQVHUPBCW-YJBOKZPZSA-N 1 2 343.496 3.705 10 0 EHAELO O=C(c1cc2ccccc2s1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186433892 1035632834 /nfs/dbraw/zinc/63/28/34/1035632834.db2.gz LBNGVLUAJKAKPW-UHFFFAOYSA-N 1 2 337.448 3.649 10 0 EHAELO C[C@@H](CCC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186385022 1035651073 /nfs/dbraw/zinc/65/10/73/1035651073.db2.gz SOPFWJHJGAITKZ-SFHVURJKSA-N 1 2 337.467 3.704 10 0 EHAELO COc1cnccc1[C@H](C)[NH2+]Cc1coc(-c2c(F)cccc2F)n1 ZINC000187026937 1035743450 /nfs/dbraw/zinc/74/34/50/1035743450.db2.gz SJACFSFNBKCANT-NSHDSACASA-N 1 2 345.349 3.874 10 0 EHAELO O=C(c1ccc(C2CCC2)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000190252151 1036214368 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ZINC000038067781 213199250 /nfs/dbraw/zinc/19/92/50/213199250.db2.gz SZKHHVBOASKEAJ-NHYWBVRUSA-N 1 2 328.250 3.616 10 0 EHAELO COC(=O)[C@@](C)([NH2+]C1CCCCC1)c1ccc(Br)cc1 ZINC000037971951 213177625 /nfs/dbraw/zinc/17/76/25/213177625.db2.gz OAPVMPRIHXDDPH-INIZCTEOSA-N 1 2 340.261 3.760 10 0 EHAELO CC(C)N(Cc1[nH+]ccn1Cc1cccc(Cl)c1)C(=O)C1CC1 ZINC000006690416 564095837 /nfs/dbraw/zinc/09/58/37/564095837.db2.gz NXGWEOUHKUYGIM-UHFFFAOYSA-N 1 2 331.847 3.732 10 0 EHAELO Clc1ccc2c(c1)N(Cc1[nH+]ccn1Cc1ccccc1)CCO2 ZINC000095962575 564142802 /nfs/dbraw/zinc/14/28/02/564142802.db2.gz KZTOVKQPWMGFNK-UHFFFAOYSA-N 1 2 339.826 3.984 10 0 EHAELO C[N@H+](Cc1csc(C(=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000689077284 976205723 /nfs/dbraw/zinc/20/57/23/976205723.db2.gz JXMSCGUESFIIRY-UHFFFAOYSA-N 1 2 344.480 3.543 10 0 EHAELO C[N@@H+](Cc1csc(C(=O)[O-])c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000689077284 976205736 /nfs/dbraw/zinc/20/57/36/976205736.db2.gz JXMSCGUESFIIRY-UHFFFAOYSA-N 1 2 344.480 3.543 10 0 EHAELO c1ncn(C2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)n1 ZINC000156555742 1029871120 /nfs/dbraw/zinc/87/11/20/1029871120.db2.gz SMXQXASLECUCQR-UHFFFAOYSA-N 1 2 331.489 3.619 10 0 EHAELO c1csc(Cn2cccc2C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000092810674 1030523344 /nfs/dbraw/zinc/52/33/44/1030523344.db2.gz AWDNBIYDLKUNRA-UHFFFAOYSA-N 1 2 326.469 3.701 10 0 EHAELO CO[C@@H](C)c1nc(C[NH+]2CCC(c3nc(C)cs3)CC2)cs1 ZINC000175147652 1031280675 /nfs/dbraw/zinc/28/06/75/1031280675.db2.gz OMWICLMJZVAHHJ-LBPRGKRZSA-N 1 2 337.514 3.995 10 0 EHAELO Cc1ccc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)CCO2)o1 ZINC000158795423 1031615668 /nfs/dbraw/zinc/61/56/68/1031615668.db2.gz VLEGXUSKJISRIZ-QGZVFWFLSA-N 1 2 348.830 3.644 10 0 EHAELO Cc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)CCO2)o1 ZINC000158795423 1031615673 /nfs/dbraw/zinc/61/56/73/1031615673.db2.gz VLEGXUSKJISRIZ-QGZVFWFLSA-N 1 2 348.830 3.644 10 0 EHAELO CC(C)c1nnc2n1CC[N@@H+](CCC(Cl)(Cl)Cl)[C@H]2C ZINC000189518415 1036081221 /nfs/dbraw/zinc/08/12/21/1036081221.db2.gz WDJZHJJORJDADW-VIFPVBQESA-N 1 2 325.671 3.538 10 0 EHAELO CC(C)c1nnc2n1CC[N@H+](CCC(Cl)(Cl)Cl)[C@H]2C ZINC000189518415 1036081244 /nfs/dbraw/zinc/08/12/44/1036081244.db2.gz WDJZHJJORJDADW-VIFPVBQESA-N 1 2 325.671 3.538 10 0 EHAELO COc1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccccc3)no2)cc1F ZINC000102699827 1127766399 /nfs/dbraw/zinc/76/63/99/1127766399.db2.gz VFXCFSOVRPFOCR-GFCCVEGCSA-N 1 2 327.359 3.735 10 0 EHAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000190102522 1140386253 /nfs/dbraw/zinc/38/62/53/1140386253.db2.gz NLYZXWDAOWQWCQ-IRXDYDNUSA-N 1 2 329.444 3.638 10 0 EHAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000190102522 1140386255 /nfs/dbraw/zinc/38/62/55/1140386255.db2.gz NLYZXWDAOWQWCQ-IRXDYDNUSA-N 1 2 329.444 3.638 10 0 EHAELO COc1cccc(-c2cnc(Nc3ccc(-n4cc[nH+]c4)nc3)o2)c1 ZINC000038821145 213227049 /nfs/dbraw/zinc/22/70/49/213227049.db2.gz NHHXVXXNXLBOCG-UHFFFAOYSA-N 1 2 333.351 3.675 10 0 EHAELO O=C(c1cccs1)N1CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC000078670951 217099171 /nfs/dbraw/zinc/09/91/71/217099171.db2.gz IBUCVVJOLGKJBC-UHFFFAOYSA-N 1 2 334.872 3.750 10 0 EHAELO O=C(c1cccs1)N1CCC[N@H+](Cc2ccccc2Cl)CC1 ZINC000078670951 217099175 /nfs/dbraw/zinc/09/91/75/217099175.db2.gz IBUCVVJOLGKJBC-UHFFFAOYSA-N 1 2 334.872 3.750 10 0 EHAELO O[C@@H]1CCCN(c2[nH+]c3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000095078256 218273373 /nfs/dbraw/zinc/27/33/73/218273373.db2.gz HKZMRSQXLYQIMF-MRXNPFEDSA-N 1 2 341.842 3.699 10 0 EHAELO Cc1[nH]c2c(cccc2C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1C ZINC000184234345 1032276765 /nfs/dbraw/zinc/27/67/65/1032276765.db2.gz NWTNBOBCOIKEOC-UHFFFAOYSA-N 1 2 348.450 3.532 10 0 EHAELO Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000129197199 1027532015 /nfs/dbraw/zinc/53/20/15/1027532015.db2.gz XBSZFZMHFFATMX-MOPGFXCFSA-N 1 2 331.419 3.601 10 0 EHAELO c1csc([C@@H]([NH2+]Cc2ccccc2-n2ccnc2)c2ncc[nH]2)c1 ZINC000194998422 1028566879 /nfs/dbraw/zinc/56/68/79/1028566879.db2.gz BMOIZXZXRIDZJV-QGZVFWFLSA-N 1 2 335.436 3.536 10 0 EHAELO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000248726124 1028942034 /nfs/dbraw/zinc/94/20/34/1028942034.db2.gz KPXMXKWUKOXVOD-GUDVDZBRSA-N 1 2 341.499 3.727 10 0 EHAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Cl)cc2)no1 ZINC000249923291 1029031930 /nfs/dbraw/zinc/03/19/30/1029031930.db2.gz ZIEMSNXNXSSGON-LSDHHAIUSA-N 1 2 335.835 3.717 10 0 EHAELO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(Cl)cc2)no1 ZINC000249923291 1029031944 /nfs/dbraw/zinc/03/19/44/1029031944.db2.gz ZIEMSNXNXSSGON-LSDHHAIUSA-N 1 2 335.835 3.717 10 0 EHAELO COc1cc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1O ZINC000245782710 1029292489 /nfs/dbraw/zinc/29/24/89/1029292489.db2.gz ZBWOQNRIKGZYDD-DJJJIMSYSA-N 1 2 331.387 3.502 10 0 EHAELO COc1cc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)ccc1O ZINC000245782710 1029292509 /nfs/dbraw/zinc/29/25/09/1029292509.db2.gz ZBWOQNRIKGZYDD-DJJJIMSYSA-N 1 2 331.387 3.502 10 0 EHAELO O=C(c1cccc2ccccc21)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186424038 1035629426 /nfs/dbraw/zinc/62/94/26/1035629426.db2.gz FNXVLFXTMLOXHZ-UHFFFAOYSA-N 1 2 331.419 3.587 10 0 EHAELO CC[C@H](CC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186444890 1035636084 /nfs/dbraw/zinc/63/60/84/1035636084.db2.gz WJSBIANDLUHPPO-GOSISDBHSA-N 1 2 337.467 3.704 10 0 EHAELO Cc1ccc2[nH]c(C(=O)N3CCCN(c4cccc[nH+]4)CC3)cc2c1C ZINC000186446883 1035636514 /nfs/dbraw/zinc/63/65/14/1035636514.db2.gz DFBURJFTSGTTOE-UHFFFAOYSA-N 1 2 348.450 3.532 10 0 EHAELO c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)n2)cc1 ZINC000102928908 1036766104 /nfs/dbraw/zinc/76/61/04/1036766104.db2.gz WFJLCPYFIRTGBI-INIZCTEOSA-N 1 2 349.390 3.802 10 0 EHAELO c1ccc(-c2noc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCO4)n2)cc1 ZINC000102928908 1036766113 /nfs/dbraw/zinc/76/61/13/1036766113.db2.gz WFJLCPYFIRTGBI-INIZCTEOSA-N 1 2 349.390 3.802 10 0 EHAELO CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000102680150 1036767683 /nfs/dbraw/zinc/76/76/83/1036767683.db2.gz DNWWSECFTMYIFE-OAHLLOKOSA-N 1 2 326.440 3.927 10 0 EHAELO CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000102680150 1036767704 /nfs/dbraw/zinc/76/77/04/1036767704.db2.gz DNWWSECFTMYIFE-OAHLLOKOSA-N 1 2 326.440 3.927 10 0 EHAELO Cc1nnc([C@@H]2Cc3ccccc3CN2c2cc(C)[nH+]c(C3CC3)n2)o1 ZINC000116260193 1037836089 /nfs/dbraw/zinc/83/60/89/1037836089.db2.gz YCNTXKKBUPNPCB-KRWDZBQOSA-N 1 2 347.422 3.658 10 0 EHAELO C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c2ccccc21 ZINC000332761886 1037953323 /nfs/dbraw/zinc/95/33/23/1037953323.db2.gz PFOAAINQUZBLJK-RVKKMQEKSA-N 1 2 338.455 3.558 10 0 EHAELO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1 ZINC000162614262 1042742923 /nfs/dbraw/zinc/74/29/23/1042742923.db2.gz ISOUKLQYVLLMDM-VQTJNVASSA-N 1 2 348.450 3.878 10 0 EHAELO COc1cc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)cc(OC)c1OC ZINC000189938828 1140372421 /nfs/dbraw/zinc/37/24/21/1140372421.db2.gz ATOIAZQTFUPNOQ-HNNXBMFYSA-N 1 2 348.468 3.814 10 0 EHAELO COc1cc(C[N@H+]2CCC[C@H]2c2csc(C)n2)cc(OC)c1OC ZINC000189938828 1140372428 /nfs/dbraw/zinc/37/24/28/1140372428.db2.gz ATOIAZQTFUPNOQ-HNNXBMFYSA-N 1 2 348.468 3.814 10 0 EHAELO Nc1c(Nc2cc(F)ccc2F)nc[nH+]c1NCc1ccc(F)cc1 ZINC000040800003 213388084 /nfs/dbraw/zinc/38/80/84/213388084.db2.gz WEEXKOJUPYDNAJ-UHFFFAOYSA-N 1 2 345.328 3.832 10 0 EHAELO OCCc1[nH+]c2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000008786162 211007324 /nfs/dbraw/zinc/00/73/24/211007324.db2.gz DETMDXRDFCCEEU-UHFFFAOYSA-N 1 2 330.815 3.694 10 0 EHAELO O=C(Nc1cc(F)ccc1Cl)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184100809 1032252388 /nfs/dbraw/zinc/25/23/88/1032252388.db2.gz ASBMLJNZTKHBBK-UHFFFAOYSA-N 1 2 348.809 3.618 10 0 EHAELO C[C@@H]1CN(c2ccc([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)cc2)CCO1 ZINC000194163418 1028496971 /nfs/dbraw/zinc/49/69/71/1028496971.db2.gz WGMODGXVPVSQRJ-HUYLIWGRSA-N 1 2 342.483 3.671 10 0 EHAELO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1OC ZINC000245729599 1029180843 /nfs/dbraw/zinc/18/08/43/1029180843.db2.gz JKNMIPKHNLMMSO-ACJLOTCBSA-N 1 2 333.453 3.727 10 0 EHAELO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)cc1OC ZINC000245729599 1029180848 /nfs/dbraw/zinc/18/08/48/1029180848.db2.gz JKNMIPKHNLMMSO-ACJLOTCBSA-N 1 2 333.453 3.727 10 0 EHAELO C[C@H](CCCc1ccccc1)C(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245850561 1029380569 /nfs/dbraw/zinc/38/05/69/1029380569.db2.gz MGYBRDCEDHCCQT-NSHGMRRFSA-N 1 2 339.483 3.952 10 0 EHAELO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)o1 ZINC000093385845 1030596122 /nfs/dbraw/zinc/59/61/22/1030596122.db2.gz HRSKNTIBDTZNRS-GDBMZVCRSA-N 1 2 344.480 3.813 10 0 EHAELO C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)o1 ZINC000093385845 1030596128 /nfs/dbraw/zinc/59/61/28/1030596128.db2.gz HRSKNTIBDTZNRS-GDBMZVCRSA-N 1 2 344.480 3.813 10 0 EHAELO C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173915271 1031133585 /nfs/dbraw/zinc/13/35/85/1031133585.db2.gz STAFHNJHEXAKQW-SIFCLUCFSA-N 1 2 347.418 3.614 10 0 EHAELO C[C@@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccc2ccccc2c1 ZINC000177352350 1031560747 /nfs/dbraw/zinc/56/07/47/1031560747.db2.gz OYMZQBPQRSJYRS-UZLBHIALSA-N 1 2 348.450 3.972 10 0 EHAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc2c(c1)OCO2 ZINC000186049973 1035571489 /nfs/dbraw/zinc/57/14/89/1035571489.db2.gz KKTUKSWHERLASE-CQSZACIVSA-N 1 2 333.391 3.723 10 0 EHAELO CC[C@@H](CC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186444870 1035637393 /nfs/dbraw/zinc/63/73/93/1035637393.db2.gz WJSBIANDLUHPPO-SFHVURJKSA-N 1 2 337.467 3.704 10 0 EHAELO CC[C@@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(OC)cc1 ZINC000162534489 1042733657 /nfs/dbraw/zinc/73/36/57/1042733657.db2.gz BSHGCAJJRVLDKJ-RTBURBONSA-N 1 2 336.439 3.952 10 0 EHAELO CC[C@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000162515951 1042736155 /nfs/dbraw/zinc/73/61/55/1042736155.db2.gz XHFLWGBOACZDOR-AZUAARDMSA-N 1 2 348.450 3.878 10 0 EHAELO [NH3+][C@H](c1nnc(-c2ccc(Br)s2)o1)c1ccccc1 ZINC000050283914 214051931 /nfs/dbraw/zinc/05/19/31/214051931.db2.gz PAOXMURXCDMZNX-NSHDSACASA-N 1 2 336.214 3.609 10 0 EHAELO COc1ccc(Cl)cc1Nc1nc[nH+]c(NC2CCCC2)c1N ZINC000040702591 213371232 /nfs/dbraw/zinc/37/12/32/213371232.db2.gz HVQYGNDQSBRXHH-UHFFFAOYSA-N 1 2 333.823 3.819 10 0 EHAELO CCOC(=O)[C@H]([NH2+]C1CCCC1)c1cccc(Br)c1 ZINC000037970793 213177380 /nfs/dbraw/zinc/17/73/80/213177380.db2.gz SVFUGSVAOSYECQ-CQSZACIVSA-N 1 2 326.234 3.586 10 0 EHAELO CCOC(=O)[C@@](C)([NH2+][C@@H](C)CC)c1cccc(Br)c1 ZINC000038067693 213199652 /nfs/dbraw/zinc/19/96/52/213199652.db2.gz QZCUPDWBNJUNRA-NHYWBVRUSA-N 1 2 328.250 3.616 10 0 EHAELO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CC[S@@](=O)c1ccccc1 ZINC000201483235 241040236 /nfs/dbraw/zinc/04/02/36/241040236.db2.gz QTOWWCYDVQQUKD-YADARESESA-N 1 2 343.492 3.646 10 0 EHAELO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CC[S@@](=O)c1ccccc1 ZINC000201483235 241040240 /nfs/dbraw/zinc/04/02/40/241040240.db2.gz QTOWWCYDVQQUKD-YADARESESA-N 1 2 343.492 3.646 10 0 EHAELO Cc1ccc(Nc2[nH+]cnc(N3CCc4ccccc4C3)c2N)cc1 ZINC000040780486 132407224 /nfs/dbraw/zinc/40/72/24/132407224.db2.gz IZNYPRNBQDFEPW-UHFFFAOYSA-N 1 2 331.423 3.674 10 0 EHAELO c1cc2ccc(C[N@H+]3CCCC[C@@H]3c3nncn3CC3CC3)cc2[nH]1 ZINC000097941511 563951022 /nfs/dbraw/zinc/95/10/22/563951022.db2.gz MOGPPGPAHDAQMU-LJQANCHMSA-N 1 2 335.455 3.897 10 0 EHAELO c1cc2ccc(C[N@@H+]3CCCC[C@@H]3c3nncn3CC3CC3)cc2[nH]1 ZINC000097941511 563951023 /nfs/dbraw/zinc/95/10/23/563951023.db2.gz MOGPPGPAHDAQMU-LJQANCHMSA-N 1 2 335.455 3.897 10 0 EHAELO C[C@H](CCCc1ccccc1)C(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245850546 1029380376 /nfs/dbraw/zinc/38/03/76/1029380376.db2.gz MGYBRDCEDHCCQT-GGPKGHCWSA-N 1 2 339.483 3.952 10 0 EHAELO Nc1cccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000178719177 1031698300 /nfs/dbraw/zinc/69/83/00/1031698300.db2.gz CSQNTDKXPWFASG-UHFFFAOYSA-N 1 2 332.407 3.721 10 0 EHAELO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000180444071 1031856919 /nfs/dbraw/zinc/85/69/19/1031856919.db2.gz MATQHRBIQMNUNV-NVXWUHKLSA-N 1 2 342.443 3.757 10 0 EHAELO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186401210 1035625593 /nfs/dbraw/zinc/62/55/93/1035625593.db2.gz KPXMXKWUKOXVOD-IPMKNSEASA-N 1 2 341.499 3.727 10 0 EHAELO CC(C)c1nnc2n1CC[N@H+]([C@@H](C)CCc1cccc(F)c1)[C@H]2C ZINC000188450992 1035939998 /nfs/dbraw/zinc/93/99/98/1035939998.db2.gz HYSCKHFNLSSVAE-GJZGRUSLSA-N 1 2 330.451 3.939 10 0 EHAELO CC(C)c1nnc2n1CC[N@@H+]([C@@H](C)CCc1cccc(F)c1)[C@H]2C ZINC000188450992 1035940007 /nfs/dbraw/zinc/94/00/07/1035940007.db2.gz HYSCKHFNLSSVAE-GJZGRUSLSA-N 1 2 330.451 3.939 10 0 EHAELO C[C@H](NC(=O)N1CCC[C@H]1C1CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174215852 1035952375 /nfs/dbraw/zinc/95/23/75/1035952375.db2.gz OEOUFYGMXZTEQJ-KXBFYZLASA-N 1 2 338.455 3.907 10 0 EHAELO Nc1c(NC23CC4CC(CC(C4)C2)C3)nc[nH+]c1N1CCCCCC1 ZINC000040725435 213376204 /nfs/dbraw/zinc/37/62/04/213376204.db2.gz JORNHNMEMSMCAI-UHFFFAOYSA-N 1 2 341.503 3.820 10 0 EHAELO CN(C)c1[nH+]cnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682414 213368359 /nfs/dbraw/zinc/36/83/59/213368359.db2.gz AMGNIMMACLIVLX-UHFFFAOYSA-N 1 2 331.729 3.541 10 0 EHAELO CCOC(=O)[C@@H]([NH2+]C1CCCC1)c1cccc(Br)c1 ZINC000037970794 213178057 /nfs/dbraw/zinc/17/80/57/213178057.db2.gz SVFUGSVAOSYECQ-AWEZNQCLSA-N 1 2 326.234 3.586 10 0 EHAELO CC[C@H]([NH2+][C@H](C(=O)OC)C(C)C)c1cccc(Br)c1 ZINC000037257105 213137331 /nfs/dbraw/zinc/13/73/31/213137331.db2.gz VABHGZXUPNIMLY-KBPBESRZSA-N 1 2 328.250 3.687 10 0 EHAELO Nc1ccc(SCC(=O)Nc2cccc(Cl)c2Cl)c[nH+]1 ZINC000037192430 213135411 /nfs/dbraw/zinc/13/54/11/213135411.db2.gz ZORWWYBZCSEVTK-UHFFFAOYSA-N 1 2 328.224 3.701 10 0 EHAELO CCOC(=O)[C@](C)([NH2+][C@@H](C)CC)c1cccc(Br)c1 ZINC000038067695 213199986 /nfs/dbraw/zinc/19/99/86/213199986.db2.gz QZCUPDWBNJUNRA-XHDPSFHLSA-N 1 2 328.250 3.616 10 0 EHAELO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000247977649 1021478702 /nfs/dbraw/zinc/47/87/02/1021478702.db2.gz GQTQLOLQGQCFSE-XHDPSFHLSA-N 1 2 333.819 3.815 10 0 EHAELO 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349.434 3.797 10 0 EHAELO Nc1c(NN(c2ccccc2)c2ccccc2)nc[nH+]c1N1CCCC1 ZINC000040724351 213375885 /nfs/dbraw/zinc/37/58/85/213375885.db2.gz JDCWUJAJULIXEN-UHFFFAOYSA-N 1 2 346.438 3.824 10 0 EHAELO Nc1c(NC2CCCCCC2)nc[nH+]c1Nc1ccc2c(c1)OCO2 ZINC000040685119 213369792 /nfs/dbraw/zinc/36/97/92/213369792.db2.gz FEPLZWRWTIYSAM-UHFFFAOYSA-N 1 2 341.415 3.666 10 0 EHAELO Nc1c(Nc2ccc3c(c2)OCO3)nc[nH+]c1NC1CCCCCC1 ZINC000040685119 213369795 /nfs/dbraw/zinc/36/97/95/213369795.db2.gz FEPLZWRWTIYSAM-UHFFFAOYSA-N 1 2 341.415 3.666 10 0 EHAELO COc1cc2c(cc1OC)C[N@H+](CC(=O)c1ccc(Cl)cc1)CC2 ZINC000072445823 216236364 /nfs/dbraw/zinc/23/63/64/216236364.db2.gz FMMMFJVTBUPPCJ-UHFFFAOYSA-N 1 2 345.826 3.598 10 0 EHAELO COc1cc2c(cc1OC)C[N@@H+](CC(=O)c1ccc(Cl)cc1)CC2 ZINC000072445823 216236367 /nfs/dbraw/zinc/23/63/67/216236367.db2.gz FMMMFJVTBUPPCJ-UHFFFAOYSA-N 1 2 345.826 3.598 10 0 EHAELO C[C@H](NC(=O)[C@@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)c1ccccc1 ZINC000021159056 212213048 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1029497440 /nfs/dbraw/zinc/49/74/40/1029497440.db2.gz WTLNIJNCPLUDSS-IAGOWNOFSA-N 1 2 336.842 3.516 10 0 EHAELO O=C(c1ccc(Oc2ccccc2)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177798389 1031570761 /nfs/dbraw/zinc/57/07/61/1031570761.db2.gz ATKRHZNEDVMLPQ-SFHVURJKSA-N 1 2 347.418 3.980 10 0 EHAELO O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180372303 1031846509 /nfs/dbraw/zinc/84/65/09/1031846509.db2.gz GUAQOXYHEAIQNB-LLVKDONJSA-N 1 2 339.226 3.886 10 0 EHAELO CCc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1F ZINC000159120157 1031879421 /nfs/dbraw/zinc/87/94/21/1031879421.db2.gz POWIBKHNSGZXSH-CQSZACIVSA-N 1 2 344.434 3.608 10 0 EHAELO Cc1csc(C2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)n1 ZINC000181203495 1031955188 /nfs/dbraw/zinc/95/51/88/1031955188.db2.gz IEIXJESKPOVZQK-UHFFFAOYSA-N 1 2 343.500 3.635 10 0 EHAELO O=C(N1CCCN(c2cccc[nH+]2)CC1)C1(Cc2ccccc2)CCC1 ZINC000186428963 1035632632 /nfs/dbraw/zinc/63/26/32/1035632632.db2.gz HEKUJMBZECPHOP-UHFFFAOYSA-N 1 2 349.478 3.533 10 0 EHAELO FC(F)n1ccnc1C[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000162223780 1042712582 /nfs/dbraw/zinc/71/25/82/1042712582.db2.gz ZNAYBERGPZRIKN-GFCCVEGCSA-N 1 2 327.762 3.935 10 0 EHAELO CCc1oc(C(=O)OC)cc1C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189832162 1140366124 /nfs/dbraw/zinc/36/61/24/1140366124.db2.gz HBZOYJWPKDNTES-AWEZNQCLSA-N 1 2 334.441 3.731 10 0 EHAELO CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189832162 1140366131 /nfs/dbraw/zinc/36/61/31/1140366131.db2.gz HBZOYJWPKDNTES-AWEZNQCLSA-N 1 2 334.441 3.731 10 0 EHAELO COCCOc1ccccc1C[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189940275 1140373762 /nfs/dbraw/zinc/37/37/62/1140373762.db2.gz LVRDCKDXBRERIH-KRWDZBQOSA-N 1 2 332.469 3.814 10 0 EHAELO COCCOc1ccccc1C[N@H+]1CCC[C@H]1c1csc(C)n1 ZINC000189940275 1140373769 /nfs/dbraw/zinc/37/37/69/1140373769.db2.gz LVRDCKDXBRERIH-KRWDZBQOSA-N 1 2 332.469 3.814 10 0 EHAELO O[C@H]1CC[C@H](Nc2[nH+]c3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000100279930 219096093 /nfs/dbraw/zinc/09/60/93/219096093.db2.gz 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C[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)C[C@@H](c2ccsc2)O1 ZINC000245693661 1029019452 /nfs/dbraw/zinc/01/94/52/1029019452.db2.gz BXQUNRQVHUPBCW-QAPCUYQASA-N 1 2 343.496 3.705 10 0 EHAELO Cc1ccc([C@@H]2CN(Cc3c[nH+]c(C)n3-c3ccccc3)CCO2)o1 ZINC000093864867 1030687088 /nfs/dbraw/zinc/68/70/88/1030687088.db2.gz DZHBKXMTMVSDKS-FQEVSTJZSA-N 1 2 337.423 3.656 10 0 EHAELO Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177775892 1031566192 /nfs/dbraw/zinc/56/61/92/1031566192.db2.gz JBISOLRZPDHYLT-OAHLLOKOSA-N 1 2 344.484 3.610 10 0 EHAELO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000182053720 1032055376 /nfs/dbraw/zinc/05/53/76/1032055376.db2.gz UMWWHCRVJVGIAN-YJYMSZOUSA-N 1 2 349.438 3.512 10 0 EHAELO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc2c(c1)OCCO2 ZINC000186056001 1035574737 /nfs/dbraw/zinc/57/47/37/1035574737.db2.gz XOQPIBLIBCCOIJ-OAHLLOKOSA-N 1 2 347.418 3.766 10 0 EHAELO COc1cnccc1[C@@H](C)[NH2+]Cc1coc(-c2c(F)cccc2F)n1 ZINC000187026953 1035743425 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CCOC(=O)[C@](C)([NH2+][C@@H](C)CC)c1ccc(Br)cc1 ZINC000038067783 213199597 /nfs/dbraw/zinc/19/95/97/213199597.db2.gz SZKHHVBOASKEAJ-XHDPSFHLSA-N 1 2 328.250 3.616 10 0 EHAELO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1noc3c1CCCC3)CCCC2 ZINC000328627419 564137048 /nfs/dbraw/zinc/13/70/48/564137048.db2.gz GBYLPWKVQVSYIF-SFHVURJKSA-N 1 2 340.471 3.503 10 0 EHAELO Cc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Cl)CCO2)o1 ZINC000158795287 1031615553 /nfs/dbraw/zinc/61/55/53/1031615553.db2.gz VLEGXUSKJISRIZ-KRWDZBQOSA-N 1 2 348.830 3.644 10 0 EHAELO Cc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)CCO2)o1 ZINC000158795287 1031615555 /nfs/dbraw/zinc/61/55/55/1031615555.db2.gz VLEGXUSKJISRIZ-KRWDZBQOSA-N 1 2 348.830 3.644 10 0 EHAELO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249384665 1032023589 /nfs/dbraw/zinc/02/35/89/1032023589.db2.gz QYCUTLVKHURHBM-ZIAGYGMSSA-N 1 2 346.504 3.575 10 0 EHAELO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000249384665 1032023603 /nfs/dbraw/zinc/02/36/03/1032023603.db2.gz QYCUTLVKHURHBM-ZIAGYGMSSA-N 1 2 346.504 3.575 10 0 EHAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000120382462 1033740918 /nfs/dbraw/zinc/74/09/18/1033740918.db2.gz QNWRCLZPXKSWCT-ROJDOSBLSA-N 1 2 349.434 3.661 10 0 EHAELO COCc1ccc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)o1 ZINC000101665975 1034025786 /nfs/dbraw/zinc/02/57/86/1034025786.db2.gz JBFZOMWBOQLGQG-UHFFFAOYSA-N 1 2 331.759 3.517 10 0 EHAELO Cc1ccccc1[C@H](C)CC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186378013 1035649601 /nfs/dbraw/zinc/64/96/01/1035649601.db2.gz ZPNOHWLFXALJGJ-GOSISDBHSA-N 1 2 337.467 3.623 10 0 EHAELO Cc1nnc(C[N@@H+]2CCC[C@@H](c3cc(F)ccc3F)C2)n1C1CC1 ZINC000191682822 1036434331 /nfs/dbraw/zinc/43/43/31/1036434331.db2.gz HZXSHLIPYBMUSV-CYBMUJFWSA-N 1 2 332.398 3.579 10 0 EHAELO Cc1nnc(C[N@H+]2CCC[C@@H](c3cc(F)ccc3F)C2)n1C1CC1 ZINC000191682822 1036434336 /nfs/dbraw/zinc/43/43/36/1036434336.db2.gz HZXSHLIPYBMUSV-CYBMUJFWSA-N 1 2 332.398 3.579 10 0 EHAELO C[N@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(OC(F)F)cc1 ZINC000105607409 1037204767 /nfs/dbraw/zinc/20/47/67/1037204767.db2.gz SWJOHGMLMLBURM-UHFFFAOYSA-N 1 2 335.310 3.563 10 0 EHAELO C[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1ccc(OC(F)F)cc1 ZINC000105607409 1037204785 /nfs/dbraw/zinc/20/47/85/1037204785.db2.gz SWJOHGMLMLBURM-UHFFFAOYSA-N 1 2 335.310 3.563 10 0 EHAELO CCN(CC)c1[nH+]cnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040723215 213376188 /nfs/dbraw/zinc/37/61/88/213376188.db2.gz HMNMRTDVWXDWPG-UHFFFAOYSA-N 1 2 326.231 3.955 10 0 EHAELO Nc1c(Nc2cccc3cccnc32)nc[nH+]c1NCc1ccccc1 ZINC000040709262 213373417 /nfs/dbraw/zinc/37/34/17/213373417.db2.gz NHKSUQGLTHVQJM-UHFFFAOYSA-N 1 2 342.406 3.963 10 0 EHAELO COc1ccc(CNc2nc(N3CCCC3)[nH+]c3ccccc32)cc1 ZINC000072260749 216085897 /nfs/dbraw/zinc/08/58/97/216085897.db2.gz GMKFPUOQPOMGAN-UHFFFAOYSA-N 1 2 334.423 3.851 10 0 EHAELO Cc1cccc(OC[C@H]2CCC[N@H+](Cc3nc(C4CC4)no3)C2)c1 ZINC000011874850 211263300 /nfs/dbraw/zinc/26/33/00/211263300.db2.gz ANDZPQWJOWTPMK-HNNXBMFYSA-N 1 2 327.428 3.546 10 0 EHAELO Cc1cccc(OC[C@H]2CCC[N@@H+](Cc3nc(C4CC4)no3)C2)c1 ZINC000011874850 211263304 /nfs/dbraw/zinc/26/33/04/211263304.db2.gz ANDZPQWJOWTPMK-HNNXBMFYSA-N 1 2 327.428 3.546 10 0 EHAELO COc1ccc([C@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@@H](C)C(=O)[C@@H]2C)cc1 ZINC000013139344 563690912 /nfs/dbraw/zinc/69/09/12/563690912.db2.gz RVYZVGKIODSCSZ-NSMLZSOPSA-N 1 2 339.435 3.931 10 0 EHAELO CSc1cccc(C)c1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000184983049 1032350610 /nfs/dbraw/zinc/35/06/10/1032350610.db2.gz GNKVZIORMLWUQN-CQSZACIVSA-N 1 2 330.457 3.610 10 0 EHAELO CC(C)c1csc([C@@H]2CCC[N@@H+](Cc3nnc(C(C)C)[nH]3)C2)n1 ZINC000330301472 1024595119 /nfs/dbraw/zinc/59/51/19/1024595119.db2.gz IZSOHYMZSGJYGV-CYBMUJFWSA-N 1 2 333.505 3.888 10 0 EHAELO CC(C)c1csc([C@@H]2CCC[N@H+](Cc3nnc(C(C)C)[nH]3)C2)n1 ZINC000330301472 1024595123 /nfs/dbraw/zinc/59/51/23/1024595123.db2.gz IZSOHYMZSGJYGV-CYBMUJFWSA-N 1 2 333.505 3.888 10 0 EHAELO Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245694986 1029022726 /nfs/dbraw/zinc/02/27/26/1029022726.db2.gz PNOLWFCBQPYJSU-GJZGRUSLSA-N 1 2 336.407 3.510 10 0 EHAELO Cc1ccsc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245694986 1029022734 /nfs/dbraw/zinc/02/27/34/1029022734.db2.gz PNOLWFCBQPYJSU-GJZGRUSLSA-N 1 2 336.407 3.510 10 0 EHAELO Cc1ccc([C@@H]2C[N@H+](Cc3cn(-c4ccccc4)nc3C)CCO2)o1 ZINC000093864649 1030686728 /nfs/dbraw/zinc/68/67/28/1030686728.db2.gz WJIMAUWXQGOVJO-FQEVSTJZSA-N 1 2 337.423 3.656 10 0 EHAELO Cc1ccc([C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3C)CCO2)o1 ZINC000093864649 1030686737 /nfs/dbraw/zinc/68/67/37/1030686737.db2.gz WJIMAUWXQGOVJO-FQEVSTJZSA-N 1 2 337.423 3.656 10 0 EHAELO C[C@H](C(=O)NCc1cccs1)[N@H+]1CC=C(c2cccs2)CC1 ZINC000117894946 1031920064 /nfs/dbraw/zinc/92/00/64/1031920064.db2.gz POPLFKIHEZCFBB-CYBMUJFWSA-N 1 2 332.494 3.604 10 0 EHAELO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117894946 1031920071 /nfs/dbraw/zinc/92/00/71/1031920071.db2.gz POPLFKIHEZCFBB-CYBMUJFWSA-N 1 2 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10 0 EHAELO C[C@@H](NC(=O)C[N@H+]1CC=C(c2cccs2)CC1)c1cccs1 ZINC000117896779 1037863237 /nfs/dbraw/zinc/86/32/37/1037863237.db2.gz PHFVDGVCCJGLIS-CYBMUJFWSA-N 1 2 332.494 3.776 10 0 EHAELO C[C@@H](NC(=O)C[N@@H+]1CC=C(c2cccs2)CC1)c1cccs1 ZINC000117896779 1037863246 /nfs/dbraw/zinc/86/32/46/1037863246.db2.gz PHFVDGVCCJGLIS-CYBMUJFWSA-N 1 2 332.494 3.776 10 0 EHAELO C(=C\c1ncnc2c1ncn2Cc1ccccc1)\[NH2+]C1CCCCC1 ZINC000100214250 219094142 /nfs/dbraw/zinc/09/41/42/219094142.db2.gz FSBUBKGROFDRMP-QXMHVHEDSA-N 1 2 333.439 3.768 10 0 EHAELO C[NH2+][C@@H](c1ccc(Br)o1)c1c(F)cc(OC)cc1F ZINC000037903426 213172601 /nfs/dbraw/zinc/17/26/01/213172601.db2.gz DNBXNOQTUFFBNI-ZDUSSCGKSA-N 1 2 332.144 3.638 10 0 EHAELO CCOc1ccccc1C(=O)N1CCc2[nH]c[nH+]c2C12CCCCC2 ZINC000065293156 563853617 /nfs/dbraw/zinc/85/36/17/563853617.db2.gz RYGCXKRMRHIGAC-UHFFFAOYSA-N 1 2 339.439 3.666 10 0 EHAELO Cc1oc2nc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3(C)C)nc(N)c2c1C ZINC000407951304 1016473308 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Cc1ccc([C@H]2C[N@H+](Cc3cn(C)nc3-c3cccs3)CCO2)o1 ZINC000180644006 1031895590 /nfs/dbraw/zinc/89/55/90/1031895590.db2.gz HTHFMHFEBHMSSE-MRXNPFEDSA-N 1 2 343.452 3.624 10 0 EHAELO Cc1ccc([C@H]2C[N@@H+](Cc3cn(C)nc3-c3cccs3)CCO2)o1 ZINC000180644006 1031895604 /nfs/dbraw/zinc/89/56/04/1031895604.db2.gz HTHFMHFEBHMSSE-MRXNPFEDSA-N 1 2 343.452 3.624 10 0 EHAELO Cc1nc([C@@H]2CCCN2C(=O)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000187005622 1035738381 /nfs/dbraw/zinc/73/83/81/1035738381.db2.gz URCKFVSYLYUXQC-KRWDZBQOSA-N 1 2 338.436 3.615 10 0 EHAELO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000247646061 1043981654 /nfs/dbraw/zinc/98/16/54/1043981654.db2.gz OVQAHHPZUKRLPS-MPGHIAIKSA-N 1 2 344.434 3.684 10 0 EHAELO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000269873696 1128795804 /nfs/dbraw/zinc/79/58/04/1128795804.db2.gz VXBLLZLDICZTBR-RKVPGOIHSA-N 1 2 338.455 3.937 10 0 EHAELO Cc1ccc(CCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000103152534 1132507386 /nfs/dbraw/zinc/50/73/86/1132507386.db2.gz WVAXTNSGIRGLRR-YVMONPNESA-N 1 2 348.490 3.785 10 0 EHAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCCC3)nc2)cs1 ZINC000189934357 1140372866 /nfs/dbraw/zinc/37/28/66/1140372866.db2.gz RYFSXHYWUUSEJD-KRWDZBQOSA-N 1 2 328.485 3.784 10 0 EHAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCCC3)nc2)cs1 ZINC000189934357 1140372871 /nfs/dbraw/zinc/37/28/71/1140372871.db2.gz RYFSXHYWUUSEJD-KRWDZBQOSA-N 1 2 328.485 3.784 10 0 EHAELO Nc1c(NCc2ccco2)nc[nH+]c1Nc1ccc(F)c(Cl)c1 ZINC000040761393 213384638 /nfs/dbraw/zinc/38/46/38/213384638.db2.gz HEBVJASIIFZTJS-UHFFFAOYSA-N 1 2 333.754 3.800 10 0 EHAELO Nc1c(Nc2ccc(F)c(Cl)c2)nc[nH+]c1NCc1ccco1 ZINC000040761393 213384642 /nfs/dbraw/zinc/38/46/42/213384642.db2.gz HEBVJASIIFZTJS-UHFFFAOYSA-N 1 2 333.754 3.800 10 0 EHAELO COC(=O)[C@](C)([NH2+]C1CCCCC1)c1cccc(Br)c1 ZINC000037971910 213177917 /nfs/dbraw/zinc/17/79/17/213177917.db2.gz KTAJSFKWARLRBD-MRXNPFEDSA-N 1 2 340.261 3.760 10 0 EHAELO CCOC(=O)[C@](CC)([NH2+]CC1CC1)c1ccc(Br)cc1 ZINC000037968042 213177757 /nfs/dbraw/zinc/17/77/57/213177757.db2.gz UXXXCUAKPYGXIC-MRXNPFEDSA-N 1 2 340.261 3.617 10 0 EHAELO Nc1ccc(SCC(=O)Nc2cc(Cl)ccc2Cl)c[nH+]1 ZINC000037192296 213135419 /nfs/dbraw/zinc/13/54/19/213135419.db2.gz XQLODIHXACCDGF-UHFFFAOYSA-N 1 2 328.224 3.701 10 0 EHAELO COc1ccccc1C1CC[NH+](CNC(=O)c2cccc(C)c2)CC1 ZINC000035075438 213006372 /nfs/dbraw/zinc/00/63/72/213006372.db2.gz LAFUMJMKVVCEGP-UHFFFAOYSA-N 1 2 338.451 3.571 10 0 EHAELO Cc1ccccc1Cn1c2ccccc2[nH+]c1N1CCCC[C@H]1CO ZINC000095090265 218280159 /nfs/dbraw/zinc/28/01/59/218280159.db2.gz WJOYGTJAUMGQQQ-SFHVURJKSA-N 1 2 335.451 3.744 10 0 EHAELO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(Oc2ccccc2)CC1 ZINC000098137042 1024580842 /nfs/dbraw/zinc/58/08/42/1024580842.db2.gz YNWHHTUEQUFVIK-AWEZNQCLSA-N 1 2 329.444 3.972 10 0 EHAELO COc1cc(Cl)c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000246801175 1028693756 /nfs/dbraw/zinc/69/37/56/1028693756.db2.gz QTPPRJVLTWOHKW-UKRRQHHQSA-N 1 2 348.295 3.708 10 0 EHAELO COc1cc(Cl)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000246801175 1028693764 /nfs/dbraw/zinc/69/37/64/1028693764.db2.gz QTPPRJVLTWOHKW-UKRRQHHQSA-N 1 2 348.295 3.708 10 0 EHAELO COc1cccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1OC ZINC000245743635 1029226597 /nfs/dbraw/zinc/22/65/97/1029226597.db2.gz MIKICXDVLAMBCX-GUYCJALGSA-N 1 2 333.453 3.727 10 0 EHAELO COc1cccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)c1OC ZINC000245743635 1029226613 /nfs/dbraw/zinc/22/66/13/1029226613.db2.gz MIKICXDVLAMBCX-GUYCJALGSA-N 1 2 333.453 3.727 10 0 EHAELO Cc1cc2[nH]c(C(=O)N3CCCN(c4cccc[nH+]4)CC3)cc2c(C)c1 ZINC000186415745 1035630152 /nfs/dbraw/zinc/63/01/52/1035630152.db2.gz HXAULHHKRVMBOH-UHFFFAOYSA-N 1 2 348.450 3.532 10 0 EHAELO C[C@H](c1nnnn1C1CCCCC1)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000188982876 1036000431 /nfs/dbraw/zinc/00/04/31/1036000431.db2.gz QYCUTLVKHURHBM-KGLIPLIRSA-N 1 2 346.504 3.575 10 0 EHAELO C[C@H](c1nnnn1C1CCCCC1)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000188982876 1036000451 /nfs/dbraw/zinc/00/04/51/1036000451.db2.gz QYCUTLVKHURHBM-KGLIPLIRSA-N 1 2 346.504 3.575 10 0 EHAELO C[C@@H]1CCN(C(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1n1cc[nH+]c1 ZINC000247645028 1043981376 /nfs/dbraw/zinc/98/13/76/1043981376.db2.gz OSZZVBHIMJPGRW-MNEFBYGVSA-N 1 2 338.455 3.553 10 0 EHAELO Cc1ccc(C[N@H+](Cc2ccc(CO)o2)Cc2ccncc2)s1 ZINC000055568805 214330524 /nfs/dbraw/zinc/33/05/24/214330524.db2.gz PZUYVUYIOOSNJO-UHFFFAOYSA-N 1 2 328.437 3.739 10 0 EHAELO Cc1ccc(C[N@@H+](Cc2ccc(CO)o2)Cc2ccncc2)s1 ZINC000055568805 214330527 /nfs/dbraw/zinc/33/05/27/214330527.db2.gz PZUYVUYIOOSNJO-UHFFFAOYSA-N 1 2 328.437 3.739 10 0 EHAELO CC(C)Nc1[nH+]cnc(Nc2ncc(C(F)(F)F)cc2Cl)c1N ZINC000040708380 213371657 /nfs/dbraw/zinc/37/16/57/213371657.db2.gz CVNKGJHJYCURIN-UHFFFAOYSA-N 1 2 346.744 3.690 10 0 EHAELO COC(=O)[C@H]([NH2+]C1CCCCCC1)c1cccc(Br)c1 ZINC000037972644 213177935 /nfs/dbraw/zinc/17/79/35/213177935.db2.gz IUSCFCBQJGHWOL-OAHLLOKOSA-N 1 2 340.261 3.976 10 0 EHAELO CCOC(=O)[C@@](CC)([NH2+]CC1CC1)c1ccc(Br)cc1 ZINC000037968043 213177546 /nfs/dbraw/zinc/17/75/46/213177546.db2.gz UXXXCUAKPYGXIC-INIZCTEOSA-N 1 2 340.261 3.617 10 0 EHAELO Cc1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c(Cl)c1 ZINC000184024481 1032225112 /nfs/dbraw/zinc/22/51/12/1032225112.db2.gz ZQEGIJAPFURAOB-UHFFFAOYSA-N 1 2 344.846 3.788 10 0 EHAELO Cc1nc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)c2c([nH+]1)CCCC2 ZINC000275635974 1017846932 /nfs/dbraw/zinc/84/69/32/1017846932.db2.gz NGILRLGZJVNWQO-SFHVURJKSA-N 1 2 337.471 3.607 10 0 EHAELO Cc1cc(C)c(NC(=O)N2CCC(c3nccs3)CC2)c(C)[nH+]1 ZINC000408472137 1019360762 /nfs/dbraw/zinc/36/07/62/1019360762.db2.gz ZCBFXZOVXLJZDX-UHFFFAOYSA-N 1 2 330.457 3.875 10 0 EHAELO Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000328770922 1020767982 /nfs/dbraw/zinc/76/79/82/1020767982.db2.gz RECWJJPLRBWINY-UHFFFAOYSA-N 1 2 328.441 3.814 10 0 EHAELO Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000129196952 1027531152 /nfs/dbraw/zinc/53/11/52/1027531152.db2.gz XBSZFZMHFFATMX-OALUTQOASA-N 1 2 331.419 3.601 10 0 EHAELO COc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1O ZINC000245710699 1029105223 /nfs/dbraw/zinc/10/52/23/1029105223.db2.gz FVZWGCJTOKVWMP-DJJJIMSYSA-N 1 2 331.387 3.502 10 0 EHAELO COc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1O ZINC000245710699 1029105235 /nfs/dbraw/zinc/10/52/35/1029105235.db2.gz FVZWGCJTOKVWMP-DJJJIMSYSA-N 1 2 331.387 3.502 10 0 EHAELO O=Cc1ccc(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000171379076 1030755339 /nfs/dbraw/zinc/75/53/39/1030755339.db2.gz FTQPCTYNRQBWMX-UHFFFAOYSA-N 1 2 345.402 3.951 10 0 EHAELO c1csc(Cn2cccc2C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000121175878 1034486024 /nfs/dbraw/zinc/48/60/24/1034486024.db2.gz PLZLTSYLLOSEGT-HNNXBMFYSA-N 1 2 326.469 3.701 10 0 EHAELO c1csc(Cn2cccc2C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000121175878 1034486036 /nfs/dbraw/zinc/48/60/36/1034486036.db2.gz PLZLTSYLLOSEGT-HNNXBMFYSA-N 1 2 326.469 3.701 10 0 EHAELO Cc1oc2ccccc2c1C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000185877267 1035555028 /nfs/dbraw/zinc/55/50/28/1035555028.db2.gz FHQRZTRBWZXUKF-OAHLLOKOSA-N 1 2 337.423 3.570 10 0 EHAELO Cc1ccc(/C=C/CC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000186494191 1035643632 /nfs/dbraw/zinc/64/36/32/1035643632.db2.gz GJNLTDZNABHJNO-GQCTYLIASA-N 1 2 335.451 3.532 10 0 EHAELO O=C(Nc1ccsc1Cl)N1CCCN(c2cccc[nH+]2)CC1 ZINC000189433288 1036077305 /nfs/dbraw/zinc/07/73/05/1036077305.db2.gz SNKWCYYJUZCLAY-UHFFFAOYSA-N 1 2 336.848 3.541 10 0 EHAELO Cc1cc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)cc1F ZINC000119797653 1037911419 /nfs/dbraw/zinc/91/14/19/1037911419.db2.gz NLQSRJJOEIERNO-CYBMUJFWSA-N 1 2 349.837 3.616 10 0 EHAELO C[C@@H]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000334067482 1138367515 /nfs/dbraw/zinc/36/75/15/1138367515.db2.gz DUSORYLVZJRSNT-BVBHFADKSA-N 1 2 344.503 3.692 10 0 EHAELO Cc1ccc2c(Nc3ncnc(Oc4cccnc4)c3N)cccc2[nH+]1 ZINC000040798355 213388323 /nfs/dbraw/zinc/38/83/23/213388323.db2.gz VMODPGGFIJRHQE-UHFFFAOYSA-N 1 2 344.378 3.846 10 0 EHAELO CCCC(=O)NCCCCCc1[nH+]c2ccccc2n1CCOCC ZINC000040211352 213281401 /nfs/dbraw/zinc/28/14/01/213281401.db2.gz MXFBCVUGVUVODA-UHFFFAOYSA-N 1 2 345.487 3.702 10 0 EHAELO OCCCc1[nH+]c2ccccc2n1Cc1ccc(Br)cc1 ZINC000040225283 213282916 /nfs/dbraw/zinc/28/29/16/213282916.db2.gz WILYCLGWAGSEFX-UHFFFAOYSA-N 1 2 345.240 3.772 10 0 EHAELO Oc1ccc2c(c1)OC[C@H]2[NH2+]Cc1cc(F)ccc1Br ZINC000038039001 213195951 /nfs/dbraw/zinc/19/59/51/213195951.db2.gz KYALCRSXZHAFKO-CQSZACIVSA-N 1 2 338.176 3.517 10 0 EHAELO C[C@]1(c2ccccc2)[NH2+]CC(=O)Nc2ccc(-c3ccc(O)cc3)cc21 ZINC000095092877 218280246 /nfs/dbraw/zinc/28/02/46/218280246.db2.gz HXJNZSXZFBNFLG-JOCHJYFZSA-N 1 2 344.414 3.864 10 0 EHAELO Cc1cc(C[NH2+][C@H](c2nc(C(C)C)no2)C2CCOCC2)c(C)o1 ZINC000328639642 564137143 /nfs/dbraw/zinc/13/71/43/564137143.db2.gz WXOZWEBFYIUNFH-INIZCTEOSA-N 1 2 333.432 3.660 10 0 EHAELO Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000154474963 1032351502 /nfs/dbraw/zinc/35/15/02/1032351502.db2.gz OVQAHHPZUKRLPS-RVKKMQEKSA-N 1 2 344.434 3.684 10 0 EHAELO Cc1ccc([C@H](C)NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1F ZINC000154474750 1032352224 /nfs/dbraw/zinc/35/22/24/1032352224.db2.gz OVQAHHPZUKRLPS-RLFYNMQTSA-N 1 2 344.434 3.684 10 0 EHAELO Fc1ccccc1NC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000129065278 1027518613 /nfs/dbraw/zinc/51/86/13/1027518613.db2.gz FYPUVKVCNPGIDC-UHFFFAOYSA-N 1 2 342.374 3.545 10 0 EHAELO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000245693482 1029018419 /nfs/dbraw/zinc/01/84/19/1029018419.db2.gz PGVNMLRLUUBLLJ-HOCLYGCPSA-N 1 2 336.407 3.510 10 0 EHAELO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000245693482 1029018435 /nfs/dbraw/zinc/01/84/35/1029018435.db2.gz PGVNMLRLUUBLLJ-HOCLYGCPSA-N 1 2 336.407 3.510 10 0 EHAELO C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245714200 1029114071 /nfs/dbraw/zinc/11/40/71/1029114071.db2.gz UKVKSZGYEQTZOU-DLBZAZTESA-N 1 2 331.366 3.532 10 0 EHAELO C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2)[C@H]1c1ccc(F)c(F)c1 ZINC000245714200 1029114075 /nfs/dbraw/zinc/11/40/75/1029114075.db2.gz UKVKSZGYEQTZOU-DLBZAZTESA-N 1 2 331.366 3.532 10 0 EHAELO O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177809983 1031571918 /nfs/dbraw/zinc/57/19/18/1031571918.db2.gz BOSPKZIVGBPTKV-HXUWFJFHSA-N 1 2 331.419 3.855 10 0 EHAELO COc1cc(C[NH2+][C@@H](c2cccc(F)c2)c2ccccn2)ccc1O ZINC000180169515 1031865509 /nfs/dbraw/zinc/86/55/09/1031865509.db2.gz YOPHKNVXMPUHHY-FQEVSTJZSA-N 1 2 338.382 3.814 10 0 EHAELO O=C(Cc1cccc2ccccc21)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186424062 1035630000 /nfs/dbraw/zinc/63/00/00/1035630000.db2.gz FFPPOYJOLWGMMS-UHFFFAOYSA-N 1 2 345.446 3.516 10 0 EHAELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000190098513 1140386780 /nfs/dbraw/zinc/38/67/80/1140386780.db2.gz HDMAJSHFFUQWBM-MSOLQXFVSA-N 1 2 329.444 3.539 10 0 EHAELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000190098513 1140386786 /nfs/dbraw/zinc/38/67/86/1140386786.db2.gz HDMAJSHFFUQWBM-MSOLQXFVSA-N 1 2 329.444 3.539 10 0 EHAELO Cc1ccc(CNc2[nH+]cnc(Nc3cccnc3Cl)c2N)cc1 ZINC000040783822 213387137 /nfs/dbraw/zinc/38/71/37/213387137.db2.gz YOBOEJNUTRJDQT-UHFFFAOYSA-N 1 2 340.818 3.771 10 0 EHAELO Nc1c(Nc2ccccc2Br)nc[nH+]c1NC1CCCC1 ZINC000040781470 213386217 /nfs/dbraw/zinc/38/62/17/213386217.db2.gz DTNQSYAPYNWQTB-UHFFFAOYSA-N 1 2 348.248 3.919 10 0 EHAELO Nc1c(Nc2ccccn2)nc[nH+]c1NC12CC3CC(CC(C3)C1)C2 ZINC000040755668 213382910 /nfs/dbraw/zinc/38/29/10/213382910.db2.gz WEXJSRSGNGVUOF-UHFFFAOYSA-N 1 2 336.443 3.578 10 0 EHAELO Cc1cc2[nH+]c(CCO)n(CCOc3ccc(Cl)cc3)c2cc1C ZINC000040310806 213290573 /nfs/dbraw/zinc/29/05/73/213290573.db2.gz YMJMWRQTOWLMIO-UHFFFAOYSA-N 1 2 344.842 3.920 10 0 EHAELO CCOC(=O)[C@H]([NH2+]C1CCCCC1)c1cccc(Br)c1 ZINC000037972219 213177161 /nfs/dbraw/zinc/17/71/61/213177161.db2.gz QIDUULXFYMCYJH-OAHLLOKOSA-N 1 2 340.261 3.976 10 0 EHAELO CCN(CC)c1cc(CNC(=O)Nc2cccc(Cl)c2)cc[nH+]1 ZINC000033280237 212914946 /nfs/dbraw/zinc/91/49/46/212914946.db2.gz VNPWPHMHHQQSSY-UHFFFAOYSA-N 1 2 332.835 3.903 10 0 EHAELO Cc1ccc(Cn2c3ccccc3[nH+]c2N2CCC[C@H](CO)C2)cc1 ZINC000095090013 218279220 /nfs/dbraw/zinc/27/92/20/218279220.db2.gz CFDSDEPGHRMLML-SFHVURJKSA-N 1 2 335.451 3.602 10 0 EHAELO CC1(C)[C@H]([NH2+]c2ccc(N3CCSCC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000246198193 1027956461 /nfs/dbraw/zinc/95/64/61/1027956461.db2.gz UMXASUOSSNHTTR-RCCFBDPRSA-N 1 2 332.513 3.855 10 0 EHAELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000248950619 1028970833 /nfs/dbraw/zinc/97/08/33/1028970833.db2.gz KDPZRTGLWQJSCS-WBVHZDCISA-N 1 2 341.411 3.703 10 0 EHAELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cc3cc(C)c(C)cc3o2)C1 ZINC000248950619 1028970851 /nfs/dbraw/zinc/97/08/51/1028970851.db2.gz KDPZRTGLWQJSCS-WBVHZDCISA-N 1 2 341.411 3.703 10 0 EHAELO COc1cc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)ccc1O ZINC000245782713 1029293831 /nfs/dbraw/zinc/29/38/31/1029293831.db2.gz ZBWOQNRIKGZYDD-YJYMSZOUSA-N 1 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CCN(CC)c1[nH+]cnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040723242 213376486 /nfs/dbraw/zinc/37/64/86/213376486.db2.gz OBUUHDFFDYRNHU-UHFFFAOYSA-N 1 2 326.231 3.955 10 0 EHAELO CCOc1ccccc1Nc1nc[nH+]c(N2CCCCCC2)c1N ZINC000040725705 213376156 /nfs/dbraw/zinc/37/61/56/213376156.db2.gz CSXCNRQJFMBQGX-UHFFFAOYSA-N 1 2 327.432 3.582 10 0 EHAELO CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000138869219 1017008357 /nfs/dbraw/zinc/00/83/57/1017008357.db2.gz PACKVXWFFCXPAR-SQNIBIBYSA-N 1 2 346.519 3.599 10 0 EHAELO CC(C)(C)c1nc(C[N@@H+]2CCCN(c3ccccn3)CC2)cs1 ZINC000183811245 1032229401 /nfs/dbraw/zinc/22/94/01/1032229401.db2.gz QUBJUVXHEGWZMF-UHFFFAOYSA-N 1 2 330.501 3.548 10 0 EHAELO CC(C)(C)c1nc(C[N@H+]2CCCN(c3ccccn3)CC2)cs1 ZINC000183811245 1032229416 /nfs/dbraw/zinc/22/94/16/1032229416.db2.gz QUBJUVXHEGWZMF-UHFFFAOYSA-N 1 2 330.501 3.548 10 0 EHAELO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120129500 1022391555 /nfs/dbraw/zinc/39/15/55/1022391555.db2.gz 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EHAELO Nc1c(NCc2ccc(F)cc2)[nH+]cnc1N1CCc2ccccc21 ZINC000040687443 213369387 /nfs/dbraw/zinc/36/93/87/213369387.db2.gz XAYRUZRULXPJAG-UHFFFAOYSA-N 1 2 335.386 3.504 10 0 EHAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3cccnc3Cl)c2c1 ZINC000040177076 213279521 /nfs/dbraw/zinc/27/95/21/213279521.db2.gz SHIGYBPWELXQKL-UHFFFAOYSA-N 1 2 325.799 3.883 10 0 EHAELO CCOC(=O)[C@@](C)([NH2+][C@H](C)CC)c1cccc(Br)c1 ZINC000038067692 213199394 /nfs/dbraw/zinc/19/93/94/213199394.db2.gz QZCUPDWBNJUNRA-ABAIWWIYSA-N 1 2 328.250 3.616 10 0 EHAELO C[C@H](c1nccs1)[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088799 218279229 /nfs/dbraw/zinc/27/92/29/218279229.db2.gz FOKSCZQUVJGVOZ-OLZOCXBDSA-N 1 2 325.478 3.535 10 0 EHAELO C[C@H](c1nccs1)[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095088799 218279231 /nfs/dbraw/zinc/27/92/31/218279231.db2.gz FOKSCZQUVJGVOZ-OLZOCXBDSA-N 1 2 325.478 3.535 10 0 EHAELO Cc1c([C@H](C)[NH2+]Cc2ncc(-c3ccccc3Cl)o2)cnn1C ZINC000183432579 1032170036 /nfs/dbraw/zinc/17/00/36/1032170036.db2.gz BLZCVWFVRAVCEV-NSHDSACASA-N 1 2 330.819 3.888 10 0 EHAELO Cc1cccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1Cl ZINC000184120487 1032255216 /nfs/dbraw/zinc/25/52/16/1032255216.db2.gz DHDLVQCNMSPJTR-UHFFFAOYSA-N 1 2 344.846 3.788 10 0 EHAELO CC[C@@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000184278837 1032279975 /nfs/dbraw/zinc/27/99/75/1032279975.db2.gz XCCAXAOESMVPET-OAHLLOKOSA-N 1 2 344.484 3.516 10 0 EHAELO CC(C)c1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1F ZINC000184471311 1032303588 /nfs/dbraw/zinc/30/35/88/1032303588.db2.gz YIGWGDOQDDKHEE-OAHLLOKOSA-N 1 2 330.407 3.842 10 0 EHAELO CC(C)c1nc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(Cl)cc2)no1 ZINC000249923287 1029032845 /nfs/dbraw/zinc/03/28/45/1029032845.db2.gz ZIEMSNXNXSSGON-HUUCEWRRSA-N 1 2 335.835 3.717 10 0 EHAELO CC(C)c1nc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(Cl)cc2)no1 ZINC000249923287 1029032861 /nfs/dbraw/zinc/03/28/61/1029032861.db2.gz ZIEMSNXNXSSGON-HUUCEWRRSA-N 1 2 335.835 3.717 10 0 EHAELO Cc1nc([C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)c2ccc(Cl)cc2)no1 ZINC000245959171 1029517363 /nfs/dbraw/zinc/51/73/63/1029517363.db2.gz XUYFQVHPLCWUML-XMZIXOGTSA-N 1 2 335.835 3.666 10 0 EHAELO CCc1cc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1C ZINC000181982890 1032051842 /nfs/dbraw/zinc/05/18/42/1032051842.db2.gz JPEAVDJMPCRHAJ-MRXNPFEDSA-N 1 2 340.471 3.778 10 0 EHAELO CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000102680147 1036769169 /nfs/dbraw/zinc/76/91/69/1036769169.db2.gz DNWWSECFTMYIFE-HNNXBMFYSA-N 1 2 326.440 3.927 10 0 EHAELO CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000102680147 1036769186 /nfs/dbraw/zinc/76/91/86/1036769186.db2.gz DNWWSECFTMYIFE-HNNXBMFYSA-N 1 2 326.440 3.927 10 0 EHAELO COc1cc(C[N@H+](C)Cc2nc(-c3ccoc3)no2)ccc1SC ZINC000105608683 1037204316 /nfs/dbraw/zinc/20/43/16/1037204316.db2.gz NWOPTFQOTLAWEH-UHFFFAOYSA-N 1 2 345.424 3.692 10 0 EHAELO COc1cc(C[N@@H+](C)Cc2nc(-c3ccoc3)no2)ccc1SC ZINC000105608683 1037204335 /nfs/dbraw/zinc/20/43/35/1037204335.db2.gz NWOPTFQOTLAWEH-UHFFFAOYSA-N 1 2 345.424 3.692 10 0 EHAELO Nc1c(Nc2cccc3ncccc32)nc[nH+]c1N1CCCCCC1 ZINC000040725628 213376431 /nfs/dbraw/zinc/37/64/31/213376431.db2.gz DPRXVZBWDVJVOL-UHFFFAOYSA-N 1 2 334.427 3.731 10 0 EHAELO COC(=O)c1cccc(Nc2cc[nH+]c3c(OC)ccc(OC)c23)c1 ZINC000040175628 213279901 /nfs/dbraw/zinc/27/99/01/213279901.db2.gz ZZIJYNBGSDYSCQ-UHFFFAOYSA-N 1 2 338.363 3.782 10 0 EHAELO CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@@]2(C)CC[N@@H+](C)[C@H]12 ZINC000013779927 211637252 /nfs/dbraw/zinc/63/72/52/211637252.db2.gz PBHFNBQPZCRWQP-UYAOXDASSA-N 1 2 337.423 3.667 10 0 EHAELO CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@@]2(C)CC[N@H+](C)[C@H]12 ZINC000013779927 211637256 /nfs/dbraw/zinc/63/72/56/211637256.db2.gz PBHFNBQPZCRWQP-UYAOXDASSA-N 1 2 337.423 3.667 10 0 EHAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180492368 1016899361 /nfs/dbraw/zinc/89/93/61/1016899361.db2.gz BKXMPPFWXMGJFJ-GDBMZVCRSA-N 1 2 345.487 3.628 10 0 EHAELO COc1ccccc1[C@H]1CCC[C@@H](C)[N@@H+]1Cc1nnnn1C(C)(C)C ZINC000329071952 1025588089 /nfs/dbraw/zinc/58/80/89/1025588089.db2.gz NYXORWGOBHZUQU-GDBMZVCRSA-N 1 2 343.475 3.552 10 0 EHAELO COc1ccccc1[C@H]1CCC[C@@H](C)[N@H+]1Cc1nnnn1C(C)(C)C ZINC000329071952 1025588098 /nfs/dbraw/zinc/58/80/98/1025588098.db2.gz NYXORWGOBHZUQU-GDBMZVCRSA-N 1 2 343.475 3.552 10 0 EHAELO c1cnn([C@H]2CCCC[C@@H]2[NH2+]Cc2noc(C3CCCCC3)n2)c1 ZINC000128451723 1027439198 /nfs/dbraw/zinc/43/91/98/1027439198.db2.gz WGLPVXUNOCSBQM-HOTGVXAUSA-N 1 2 329.448 3.587 10 0 EHAELO C[C@@H](CC1CCCCC1)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186435813 1035633858 /nfs/dbraw/zinc/63/38/58/1035633858.db2.gz PINWSVZVECZYSE-KRWDZBQOSA-N 1 2 329.488 3.727 10 0 EHAELO Fc1ccc(C2=CC[N@H+](Cc3nc(-c4ccoc4)no3)CC2)cc1 ZINC000105607743 1037205415 /nfs/dbraw/zinc/20/54/15/1037205415.db2.gz LQSSMFBBSDGKJC-UHFFFAOYSA-N 1 2 325.343 3.758 10 0 EHAELO Fc1ccc(C2=CC[N@@H+](Cc3nc(-c4ccoc4)no3)CC2)cc1 ZINC000105607743 1037205431 /nfs/dbraw/zinc/20/54/31/1037205431.db2.gz LQSSMFBBSDGKJC-UHFFFAOYSA-N 1 2 325.343 3.758 10 0 EHAELO NNc1[nH+]c(-c2cc(Br)cs2)nc2c1CCCCC2 ZINC000103998805 219337093 /nfs/dbraw/zinc/33/70/93/219337093.db2.gz ZDZAJAWTNFLHMX-UHFFFAOYSA-N 1 2 339.262 3.522 10 0 EHAELO COc1ccc(Cl)cc1Nc1nc[nH+]c(NCCC(C)C)c1N ZINC000040702551 213371295 /nfs/dbraw/zinc/37/12/95/213371295.db2.gz ZPDLHSZBGDDHJF-UHFFFAOYSA-N 1 2 335.839 3.922 10 0 EHAELO CC[C@]([NH2+]C1CCCC1)(C(=O)OC)c1ccc(Br)cc1 ZINC000037969904 213177178 /nfs/dbraw/zinc/17/71/78/213177178.db2.gz DRYJVJUUHLJOHS-MRXNPFEDSA-N 1 2 340.261 3.760 10 0 EHAELO c1sc(C2CCCC2)nc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183823788 1032230533 /nfs/dbraw/zinc/23/05/33/1032230533.db2.gz VEZJZKOHDVZRIS-UHFFFAOYSA-N 1 2 342.512 3.908 10 0 EHAELO c1sc(C2CCCC2)nc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183823788 1032230543 /nfs/dbraw/zinc/23/05/43/1032230543.db2.gz VEZJZKOHDVZRIS-UHFFFAOYSA-N 1 2 342.512 3.908 10 0 EHAELO CC[C@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1ccccc1OC ZINC000168027269 1026650274 /nfs/dbraw/zinc/65/02/74/1026650274.db2.gz AFNQXBKKWVHUQH-HOTGVXAUSA-N 1 2 328.460 3.986 10 0 EHAELO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1ccccc1OC ZINC000168027171 1026651499 /nfs/dbraw/zinc/65/14/99/1026651499.db2.gz AFNQXBKKWVHUQH-HZPDHXFCSA-N 1 2 328.460 3.986 10 0 EHAELO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000248634381 1028931260 /nfs/dbraw/zinc/93/12/60/1028931260.db2.gz XJHCTWVCWGNNBC-SOUVJXGZSA-N 1 2 329.444 3.686 10 0 EHAELO Cc1ccc(F)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000245668470 1028989502 /nfs/dbraw/zinc/98/95/02/1028989502.db2.gz JMGCRUZSLVSAOW-ROUUACIJSA-N 1 2 348.368 3.588 10 0 EHAELO Cc1ccc(F)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000245668470 1028989518 /nfs/dbraw/zinc/98/95/18/1028989518.db2.gz JMGCRUZSLVSAOW-ROUUACIJSA-N 1 2 348.368 3.588 10 0 EHAELO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)o1 ZINC000093385844 1030597339 /nfs/dbraw/zinc/59/73/39/1030597339.db2.gz HRSKNTIBDTZNRS-HOCLYGCPSA-N 1 2 344.480 3.813 10 0 EHAELO C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)o1 ZINC000093385844 1030597343 /nfs/dbraw/zinc/59/73/43/1030597343.db2.gz HRSKNTIBDTZNRS-HOCLYGCPSA-N 1 2 344.480 3.813 10 0 EHAELO CCOc1cc(C[N@@H+]2CCO[C@@H](c3ccc(C)o3)C2)ccc1OC ZINC000093864814 1030687157 /nfs/dbraw/zinc/68/71/57/1030687157.db2.gz LUOSWXHMYBBOLD-LJQANCHMSA-N 1 2 331.412 3.569 10 0 EHAELO CCOc1cc(C[N@H+]2CCO[C@@H](c3ccc(C)o3)C2)ccc1OC ZINC000093864814 1030687172 /nfs/dbraw/zinc/68/71/72/1030687172.db2.gz LUOSWXHMYBBOLD-LJQANCHMSA-N 1 2 331.412 3.569 10 0 EHAELO Cc1nnc([C@@H]([NH2+]Cc2ccc3nc(C)ccc3c2)c2ccccc2)[nH]1 ZINC000189311070 1036056771 /nfs/dbraw/zinc/05/67/71/1036056771.db2.gz FMCKRLLKTJJIFC-FQEVSTJZSA-N 1 2 343.434 3.849 10 0 EHAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccsc2Cl)C1 ZINC000189356631 1036060752 /nfs/dbraw/zinc/06/07/52/1036060752.db2.gz WIZOWOUMZNCUHI-LLVKDONJSA-N 1 2 338.864 3.622 10 0 EHAELO Clc1ccc2nc(C[NH+]3CCC(Nc4nccs4)CC3)cn2c1 ZINC000189954935 1036166803 /nfs/dbraw/zinc/16/68/03/1036166803.db2.gz OZPDRHQDUHFGTH-UHFFFAOYSA-N 1 2 347.875 3.521 10 0 EHAELO CC[C@@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc2c(c1)CCO2 ZINC000162515816 1042736227 /nfs/dbraw/zinc/73/62/27/1042736227.db2.gz XHFLWGBOACZDOR-QUCCMNQESA-N 1 2 348.450 3.878 10 0 EHAELO CC(C)(C)c1csc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)n1 ZINC000105498607 1135950828 /nfs/dbraw/zinc/95/08/28/1135950828.db2.gz BUFMLZQIMGOVQC-UHFFFAOYSA-N 1 2 340.496 3.975 10 0 EHAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cc3ccccc3s2)C1 ZINC000190103846 1140386405 /nfs/dbraw/zinc/38/64/05/1140386405.db2.gz SPSACWJQQKGTLH-ZFWWWQNUSA-N 1 2 329.425 3.555 10 0 EHAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000190103846 1140386413 /nfs/dbraw/zinc/38/64/13/1140386413.db2.gz SPSACWJQQKGTLH-ZFWWWQNUSA-N 1 2 329.425 3.555 10 0 EHAELO COCC[NH2+][C@@H](c1ccc(Br)s1)c1nc(C)cs1 ZINC000053288638 214175274 /nfs/dbraw/zinc/17/52/74/214175274.db2.gz MZPAJOPOSVWITJ-NSHDSACASA-N 1 2 347.303 3.601 10 0 EHAELO Nc1c(NC2CCCC2)nc[nH+]c1Nc1cccc(Br)c1 ZINC000040797336 213387710 /nfs/dbraw/zinc/38/77/10/213387710.db2.gz OXQHAROUZYAEHM-UHFFFAOYSA-N 1 2 348.248 3.919 10 0 EHAELO Nc1c(Nc2cccc(Br)c2)nc[nH+]c1NC1CCCC1 ZINC000040797336 213387713 /nfs/dbraw/zinc/38/77/13/213387713.db2.gz OXQHAROUZYAEHM-UHFFFAOYSA-N 1 2 348.248 3.919 10 0 EHAELO Nc1c(Nc2cccc3ncccc32)nc[nH+]c1NCc1ccccc1 ZINC000040709345 213373346 /nfs/dbraw/zinc/37/33/46/213373346.db2.gz RPUFLYJVZQFYBY-UHFFFAOYSA-N 1 2 342.406 3.963 10 0 EHAELO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1cccc2cccnc21 ZINC000040461295 213307433 /nfs/dbraw/zinc/30/74/33/213307433.db2.gz DIEHEOCDKYHAHO-UHFFFAOYSA-N 1 2 338.436 3.539 10 0 EHAELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2cc3ccccc3s2)C1 ZINC000190103890 532968802 /nfs/dbraw/zinc/96/88/02/532968802.db2.gz SPSACWJQQKGTLH-UKRRQHHQSA-N 1 2 329.425 3.555 10 0 EHAELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000190103890 532968807 /nfs/dbraw/zinc/96/88/07/532968807.db2.gz SPSACWJQQKGTLH-UKRRQHHQSA-N 1 2 329.425 3.555 10 0 EHAELO Fc1ccc(OC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)CCO2)cc1 ZINC000034686953 563446953 /nfs/dbraw/zinc/44/69/53/563446953.db2.gz XVILCUKMMVMQRC-SFHVURJKSA-N 1 2 335.806 3.759 10 0 EHAELO Fc1ccc(OC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)CCO2)cc1 ZINC000034686953 563446957 /nfs/dbraw/zinc/44/69/57/563446957.db2.gz XVILCUKMMVMQRC-SFHVURJKSA-N 1 2 335.806 3.759 10 0 EHAELO CC(C)c1noc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)n1 ZINC000459529474 1032247082 /nfs/dbraw/zinc/24/70/82/1032247082.db2.gz MAVLOFJNLFTDRH-KRWDZBQOSA-N 1 2 329.444 3.577 10 0 EHAELO Fc1ccccc1NC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000172933063 1031034799 /nfs/dbraw/zinc/03/47/99/1031034799.db2.gz XFVNUTGHBVGLCT-UHFFFAOYSA-N 1 2 342.374 3.545 10 0 EHAELO Cc1ccc(Cn2c3ccccc3[nH+]c2N2CCC[C@@H](CO)C2)cc1 ZINC000095090014 218279080 /nfs/dbraw/zinc/27/90/80/218279080.db2.gz CFDSDEPGHRMLML-GOSISDBHSA-N 1 2 335.451 3.602 10 0 EHAELO CCc1cc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)ccc1C ZINC000184145617 1032258637 /nfs/dbraw/zinc/25/86/37/1032258637.db2.gz JBKFABANVDTOLW-UHFFFAOYSA-N 1 2 338.455 3.697 10 0 EHAELO CC[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1cccs1 ZINC000152641981 1026480155 /nfs/dbraw/zinc/48/01/55/1026480155.db2.gz MEGSPDCIYANBRU-SOUVJXGZSA-N 1 2 332.473 3.688 10 0 EHAELO c1cnn([C@@H]2CCCC[C@H]2[NH2+]Cc2noc(C3CCCCC3)n2)c1 ZINC000128451943 1027437717 /nfs/dbraw/zinc/43/77/17/1027437717.db2.gz WGLPVXUNOCSBQM-HZPDHXFCSA-N 1 2 329.448 3.587 10 0 EHAELO C[N@@H+]1CC[C@H](NC(=O)Nc2ccsc2)[C@H]1c1ccc(F)c(F)c1 ZINC000249107611 1028985739 /nfs/dbraw/zinc/98/57/39/1028985739.db2.gz XJLZWLWXASVOPC-LSDHHAIUSA-N 1 2 337.395 3.593 10 0 EHAELO C[N@H+]1CC[C@H](NC(=O)Nc2ccsc2)[C@H]1c1ccc(F)c(F)c1 ZINC000249107611 1028985755 /nfs/dbraw/zinc/98/57/55/1028985755.db2.gz XJLZWLWXASVOPC-LSDHHAIUSA-N 1 2 337.395 3.593 10 0 EHAELO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)sc1-c1ccc(F)cc1 ZINC000102341073 1030914553 /nfs/dbraw/zinc/91/45/53/1030914553.db2.gz HXJZSZSBZVORNP-UHFFFAOYSA-N 1 2 344.455 3.783 10 0 EHAELO CC(C)CC1(C(=O)N2CCCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000186437094 1035632585 /nfs/dbraw/zinc/63/25/85/1035632585.db2.gz MYRDAUVGCXGOLE-UHFFFAOYSA-N 1 2 329.488 3.727 10 0 EHAELO C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc(F)c(Cl)c1 ZINC000097680465 219047626 /nfs/dbraw/zinc/04/76/26/219047626.db2.gz BIEMCRBXMQIJTL-NSHDSACASA-N 1 2 331.778 3.547 10 0 EHAELO COc1c(F)ccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)c1F ZINC000055089982 214271944 /nfs/dbraw/zinc/27/19/44/214271944.db2.gz XOXYWZBAAYCPDB-INIZCTEOSA-N 1 2 348.393 3.550 10 0 EHAELO COc1c(F)ccc(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)c1F ZINC000055089982 214271947 /nfs/dbraw/zinc/27/19/47/214271947.db2.gz XOXYWZBAAYCPDB-INIZCTEOSA-N 1 2 348.393 3.550 10 0 EHAELO Fc1cccc(-c2noc3c2C[N@H+](Cc2cncn2C2CC2)CC3)c1 ZINC000067643386 215172595 /nfs/dbraw/zinc/17/25/95/215172595.db2.gz OKWJRLUJTAHULU-UHFFFAOYSA-N 1 2 338.386 3.570 10 0 EHAELO Fc1cccc(-c2noc3c2C[N@@H+](Cc2cncn2C2CC2)CC3)c1 ZINC000067643386 215172599 /nfs/dbraw/zinc/17/25/99/215172599.db2.gz OKWJRLUJTAHULU-UHFFFAOYSA-N 1 2 338.386 3.570 10 0 EHAELO Fc1cccc(-c2noc3c2CN(Cc2c[nH+]cn2C2CC2)CC3)c1 ZINC000067643386 215172602 /nfs/dbraw/zinc/17/26/02/215172602.db2.gz OKWJRLUJTAHULU-UHFFFAOYSA-N 1 2 338.386 3.570 10 0 EHAELO CN(Cc1ccccc1)c1[nH+]cnc(Nc2ccc(F)cc2F)c1N ZINC000040662622 213366245 /nfs/dbraw/zinc/36/62/45/213366245.db2.gz ZBUVOOYJLJGGDP-UHFFFAOYSA-N 1 2 341.365 3.717 10 0 EHAELO CCCCCn1c(CCCCCNC(=O)COC)[nH+]c2ccccc21 ZINC000040211400 213281393 /nfs/dbraw/zinc/28/13/93/213281393.db2.gz OPQSSTLEHFWXEP-UHFFFAOYSA-N 1 2 345.487 3.702 10 0 EHAELO Nc1ccc(-c2[nH+]ccn2Cc2ccccc2Br)cc1 ZINC000037974162 213178250 /nfs/dbraw/zinc/17/82/50/213178250.db2.gz NQELNIAHDUTCRQ-UHFFFAOYSA-N 1 2 328.213 3.943 10 0 EHAELO CCOC(=O)[C@@H]([NH2+]C1CCCCC1)c1cccc(Br)c1 ZINC000037972220 213177609 /nfs/dbraw/zinc/17/76/09/213177609.db2.gz QIDUULXFYMCYJH-HNNXBMFYSA-N 1 2 340.261 3.976 10 0 EHAELO COC(=O)c1sc2ncnc(Nc3ccc([NH+](C)C)cc3)c2c1C ZINC000012084649 211288733 /nfs/dbraw/zinc/28/87/33/211288733.db2.gz PCNMDWNJIMPVNF-UHFFFAOYSA-N 1 2 342.424 3.596 10 0 EHAELO OC[C@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000183661801 1032216526 /nfs/dbraw/zinc/21/65/26/1032216526.db2.gz AICJUODVGKSJRE-INIZCTEOSA-N 1 2 328.799 3.818 10 0 EHAELO COc1ccc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1OC ZINC000245729606 1029180394 /nfs/dbraw/zinc/18/03/94/1029180394.db2.gz JKNMIPKHNLMMSO-UGSOOPFHSA-N 1 2 333.453 3.727 10 0 EHAELO COc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc1OC ZINC000245729606 1029180403 /nfs/dbraw/zinc/18/04/03/1029180403.db2.gz JKNMIPKHNLMMSO-UGSOOPFHSA-N 1 2 333.453 3.727 10 0 EHAELO Cc1ccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)o1 ZINC000093864902 1030687039 /nfs/dbraw/zinc/68/70/39/1030687039.db2.gz ZGIMSWRMNWXGOS-GOSISDBHSA-N 1 2 341.386 3.691 10 0 EHAELO Cc1ccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)o1 ZINC000093864902 1030687045 /nfs/dbraw/zinc/68/70/45/1030687045.db2.gz ZGIMSWRMNWXGOS-GOSISDBHSA-N 1 2 341.386 3.691 10 0 EHAELO C[C@H](NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173915301 1031132869 /nfs/dbraw/zinc/13/28/69/1031132869.db2.gz STAFHNJHEXAKQW-AUSJPIAWSA-N 1 2 347.418 3.614 10 0 EHAELO COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000180086205 1031840872 /nfs/dbraw/zinc/84/08/72/1031840872.db2.gz ZBWOQNRIKGZYDD-BFUOFWGJSA-N 1 2 331.387 3.502 10 0 EHAELO COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)ccc1O ZINC000180086205 1031840888 /nfs/dbraw/zinc/84/08/88/1031840888.db2.gz ZBWOQNRIKGZYDD-BFUOFWGJSA-N 1 2 331.387 3.502 10 0 EHAELO CCOCc1cc(C[N@@H+]2CCO[C@H](c3ccc(C)o3)C2)ccc1OC ZINC000180213062 1031869100 /nfs/dbraw/zinc/86/91/00/1031869100.db2.gz QDTJWYFYRTZPBD-FQEVSTJZSA-N 1 2 345.439 3.707 10 0 EHAELO CCOCc1cc(C[N@H+]2CCO[C@H](c3ccc(C)o3)C2)ccc1OC ZINC000180213062 1031869120 /nfs/dbraw/zinc/86/91/20/1031869120.db2.gz QDTJWYFYRTZPBD-FQEVSTJZSA-N 1 2 345.439 3.707 10 0 EHAELO O=C(CC/C=C/c1ccccc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186376611 1035649335 /nfs/dbraw/zinc/64/93/35/1035649335.db2.gz XQFGYGLZILCRPU-NYYWCZLTSA-N 1 2 335.451 3.614 10 0 EHAELO Cn1cc[nH+]c1CC1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000105875993 1037605213 /nfs/dbraw/zinc/60/52/13/1037605213.db2.gz VAXPEVCAVKZEAB-UHFFFAOYSA-N 1 2 342.468 3.591 10 0 EHAELO c1[nH]c([C@H]2CCC[N@@H+](Cc3noc(C4CC4)n3)C2)nc1-c1ccccc1 ZINC000114481634 1037799796 /nfs/dbraw/zinc/79/97/96/1037799796.db2.gz FEJHPIKZZOLQGH-INIZCTEOSA-N 1 2 349.438 3.717 10 0 EHAELO c1[nH]c([C@H]2CCC[N@H+](Cc3noc(C4CC4)n3)C2)nc1-c1ccccc1 ZINC000114481634 1037799816 /nfs/dbraw/zinc/79/98/16/1037799816.db2.gz FEJHPIKZZOLQGH-INIZCTEOSA-N 1 2 349.438 3.717 10 0 EHAELO Cc1cc(Nc2ncnc(Nc3cccc4[nH+]c(C)ccc34)c2N)no1 ZINC000040681188 213368438 /nfs/dbraw/zinc/36/84/38/213368438.db2.gz KELZBDRYMCHFIX-UHFFFAOYSA-N 1 2 347.382 3.699 10 0 EHAELO CCOC(=O)[C@](C)([NH2+][C@H](C)CC)c1ccc(Br)cc1 ZINC000038067782 213199756 /nfs/dbraw/zinc/19/97/56/213199756.db2.gz SZKHHVBOASKEAJ-IAQYHMDHSA-N 1 2 328.250 3.616 10 0 EHAELO CCOC(=O)[C@](C)([NH2+]C1CCCC1)c1cccc(Br)c1 ZINC000037970555 213177319 /nfs/dbraw/zinc/17/73/19/213177319.db2.gz WQBYIMRFRKYXLF-MRXNPFEDSA-N 1 2 340.261 3.760 10 0 EHAELO C[C@H](NC(=O)[C@H]1CCCN(c2[nH]c3ccccc3[nH+]2)C1)c1ccccc1 ZINC000021159063 212212126 /nfs/dbraw/zinc/21/21/26/212212126.db2.gz IBTVPYZZBPIXRD-RDJZCZTQSA-N 1 2 348.450 3.657 10 0 EHAELO CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1[nH]c2ccccc2[nH+]1 ZINC000095075029 218272841 /nfs/dbraw/zinc/27/28/41/218272841.db2.gz AHPXOVPNMGHBHR-CQSZACIVSA-N 1 2 344.459 3.789 10 0 EHAELO CCn1c(C)csc1=[NH+]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000000089199 563221764 /nfs/dbraw/zinc/22/17/64/563221764.db2.gz KTLNWZQHGPTYBE-GJZGRUSLSA-O 1 2 332.493 3.721 10 0 EHAELO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1cnc(Cl)s1)CCCC2 ZINC000276144181 563984311 /nfs/dbraw/zinc/98/43/11/563984311.db2.gz ZBZQIAZQROPNNF-AWEZNQCLSA-N 1 2 336.892 3.746 10 0 EHAELO CCc1nc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)no1 ZINC000246413090 1028479628 /nfs/dbraw/zinc/47/96/28/1028479628.db2.gz BITCECIYECVOAK-UONOGXRCSA-N 1 2 335.473 3.562 10 0 EHAELO CCc1nc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)no1 ZINC000246413090 1028479634 /nfs/dbraw/zinc/47/96/34/1028479634.db2.gz BITCECIYECVOAK-UONOGXRCSA-N 1 2 335.473 3.562 10 0 EHAELO CCCCc1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000246933485 1028747502 /nfs/dbraw/zinc/74/75/02/1028747502.db2.gz TWULYVZWBWFPQN-IAGOWNOFSA-N 1 2 347.434 3.639 10 0 EHAELO CCCCc1nc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)no1 ZINC000246933485 1028747518 /nfs/dbraw/zinc/74/75/18/1028747518.db2.gz TWULYVZWBWFPQN-IAGOWNOFSA-N 1 2 347.434 3.639 10 0 EHAELO COc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1OC ZINC000245743632 1029225226 /nfs/dbraw/zinc/22/52/26/1029225226.db2.gz MIKICXDVLAMBCX-DYVFJYSZSA-N 1 2 333.453 3.727 10 0 EHAELO COc1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccsc3)C2)c1OC ZINC000245743632 1029225239 /nfs/dbraw/zinc/22/52/39/1029225239.db2.gz MIKICXDVLAMBCX-DYVFJYSZSA-N 1 2 333.453 3.727 10 0 EHAELO Cc1nnc(C[N@@H+]2CCC[C@H](c3cc(F)ccc3F)C2)n1C1CC1 ZINC000191682807 1036434291 /nfs/dbraw/zinc/43/42/91/1036434291.db2.gz HZXSHLIPYBMUSV-ZDUSSCGKSA-N 1 2 332.398 3.579 10 0 EHAELO Cc1nnc(C[N@H+]2CCC[C@H](c3cc(F)ccc3F)C2)n1C1CC1 ZINC000191682807 1036434301 /nfs/dbraw/zinc/43/43/01/1036434301.db2.gz HZXSHLIPYBMUSV-ZDUSSCGKSA-N 1 2 332.398 3.579 10 0 EHAELO [NH3+][C@@H](c1nnc(-c2ccc(Br)s2)o1)c1ccccc1 ZINC000050283915 214052335 /nfs/dbraw/zinc/05/23/35/214052335.db2.gz PAOXMURXCDMZNX-LLVKDONJSA-N 1 2 336.214 3.609 10 0 EHAELO CCOC(=O)[C@H]([NH2+]C1CCCC1)c1ccc(Br)cc1 ZINC000037970787 213177171 /nfs/dbraw/zinc/17/71/71/213177171.db2.gz BBOUUOAGOBVGBY-CQSZACIVSA-N 1 2 326.234 3.586 10 0 EHAELO Cc1c(Cc2ccnn2-c2cccc(F)n2)[nH+]c2ccc(Cl)cn12 ZINC000034334256 212976943 /nfs/dbraw/zinc/97/69/43/212976943.db2.gz VTKHNBGYYXDENN-UHFFFAOYSA-N 1 2 341.777 3.607 10 0 EHAELO Cc1c[nH]c(CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)[nH+]1 ZINC000299759735 258077364 /nfs/dbraw/zinc/07/73/64/258077364.db2.gz QYYCEVURFRPKEA-LJQANCHMSA-N 1 2 337.398 3.993 10 0 EHAELO Cc1cccc(Cn2cc[nH+]c2CN(C(=O)NC(C)C)C(C)C)c1 ZINC000096207006 563980123 /nfs/dbraw/zinc/98/01/23/563980123.db2.gz XXJSONDBLXFWSN-UHFFFAOYSA-N 1 2 328.460 3.568 10 0 EHAELO Cc1nc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)c2c([nH+]1)CCCC2 ZINC000329290306 1025729870 /nfs/dbraw/zinc/72/98/70/1025729870.db2.gz AKJAHIYRSNFEQW-GOSISDBHSA-N 1 2 333.439 3.882 10 0 EHAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(Cl)cc2)no1 ZINC000195373744 1028598156 /nfs/dbraw/zinc/59/81/56/1028598156.db2.gz ZIEMSNXNXSSGON-GJZGRUSLSA-N 1 2 335.835 3.717 10 0 EHAELO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(Cl)cc2)no1 ZINC000195373744 1028598162 /nfs/dbraw/zinc/59/81/62/1028598162.db2.gz ZIEMSNXNXSSGON-GJZGRUSLSA-N 1 2 335.835 3.717 10 0 EHAELO Fc1ccccc1NC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000172931963 1031033859 /nfs/dbraw/zinc/03/38/59/1031033859.db2.gz MNGSHGYXMBMWBQ-UHFFFAOYSA-N 1 2 330.432 3.611 10 0 EHAELO Cc1ccc(OC2CC[NH+](Cc3csc(C4CC4)n3)CC2)nc1 ZINC000181554001 1032004327 /nfs/dbraw/zinc/00/43/27/1032004327.db2.gz GMIKKBOFBLPPON-UHFFFAOYSA-N 1 2 329.469 3.767 10 0 EHAELO c1csc(NC2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)n1 ZINC000189952093 1036168207 /nfs/dbraw/zinc/16/82/07/1036168207.db2.gz WGFYFPXXXPCLDV-UHFFFAOYSA-N 1 2 339.468 3.610 10 0 EHAELO c1csc(NC2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)n1 ZINC000189952093 1036168208 /nfs/dbraw/zinc/16/82/08/1036168208.db2.gz WGFYFPXXXPCLDV-UHFFFAOYSA-N 1 2 339.468 3.610 10 0 EHAELO c1cc(-c2noc(C[N@H+](Cc3ccccc3)C[C@H]3CCCO3)n2)co1 ZINC000105608381 1037203182 /nfs/dbraw/zinc/20/31/82/1037203182.db2.gz VCZDBAKLSWMRKH-QGZVFWFLSA-N 1 2 339.395 3.511 10 0 EHAELO c1cc(-c2noc(C[N@@H+](Cc3ccccc3)C[C@H]3CCCO3)n2)co1 ZINC000105608381 1037203195 /nfs/dbraw/zinc/20/31/95/1037203195.db2.gz VCZDBAKLSWMRKH-QGZVFWFLSA-N 1 2 339.395 3.511 10 0 EHAELO C[N@H+](Cc1nc(-c2ccoc2)no1)Cc1ccccc1N1CCCC1 ZINC000105717469 1037246010 /nfs/dbraw/zinc/24/60/10/1037246010.db2.gz QIBJARLDFHTVSL-UHFFFAOYSA-N 1 2 338.411 3.562 10 0 EHAELO C[N@@H+](Cc1nc(-c2ccoc2)no1)Cc1ccccc1N1CCCC1 ZINC000105717469 1037246020 /nfs/dbraw/zinc/24/60/20/1037246020.db2.gz QIBJARLDFHTVSL-UHFFFAOYSA-N 1 2 338.411 3.562 10 0 EHAELO Nc1c(Nc2ccc(F)cc2F)nc[nH+]c1NCc1ccccc1 ZINC000040709368 213373664 /nfs/dbraw/zinc/37/36/64/213373664.db2.gz VSYVMTAWLNRALZ-UHFFFAOYSA-N 1 2 327.338 3.693 10 0 EHAELO Cc1cccc(Nc2nc[nH+]c(NCc3ccc(Cl)cc3)c2N)n1 ZINC000040685619 213369476 /nfs/dbraw/zinc/36/94/76/213369476.db2.gz PYNJPWMQPLXANI-UHFFFAOYSA-N 1 2 340.818 3.771 10 0 EHAELO Cn1cc[nH+]c1CNc1ccc(Br)cc1C(F)(F)F ZINC000037518955 213152654 /nfs/dbraw/zinc/15/26/54/213152654.db2.gz LPPDBVIGFPSPOK-UHFFFAOYSA-N 1 2 334.139 3.814 10 0 EHAELO COc1ccc(Cc2[nH+]ccc3cc(OC)c(OC)cc32)cc1O ZINC000005141262 210398634 /nfs/dbraw/zinc/39/86/34/210398634.db2.gz MTJSWIPYMFUEPW-UHFFFAOYSA-N 1 2 325.364 3.557 10 0 endogenous,in-man EHAELO O=c1c2cc(Cl)cc(Cl)c2occ1[C@@H]1[NH2+]CCn2cccc21 ZINC000032500400 258003725 /nfs/dbraw/zinc/00/37/25/258003725.db2.gz CUPKGALRWLQFLY-AWEZNQCLSA-N 1 2 335.190 3.594 10 0 EHAELO CCCCc1noc([C@@H](C)[NH+]2CCC(Oc3ccc(C)cn3)CC2)n1 ZINC000182841510 1032141457 /nfs/dbraw/zinc/14/14/57/1032141457.db2.gz XGUOFIARFBZANZ-OAHLLOKOSA-N 1 2 344.459 3.720 10 0 EHAELO Cc1[nH]c2ccc(C(=O)N3CCCN(c4cccc[nH+]4)CC3)cc2c1C ZINC000183549938 1032178285 /nfs/dbraw/zinc/17/82/85/1032178285.db2.gz QTCLWZFYXDIQSG-UHFFFAOYSA-N 1 2 348.450 3.532 10 0 EHAELO CCCc1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000184039209 1032228622 /nfs/dbraw/zinc/22/86/22/1032228622.db2.gz SJXKRYFFXHGBSW-UHFFFAOYSA-N 1 2 338.455 3.778 10 0 EHAELO COc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)no2)cc1F ZINC000102699721 1025520853 /nfs/dbraw/zinc/52/08/53/1025520853.db2.gz PJVGNRRAMSMQEM-NSHDSACASA-N 1 2 345.349 3.874 10 0 EHAELO C[C@@H]1CCN(C(=O)/C=C/c2cccc3cccnc23)C[C@@H]1n1cc[nH+]c1 ZINC000126272125 1027181266 /nfs/dbraw/zinc/18/12/66/1027181266.db2.gz UNZJRPNPTGNKBR-WHJOBHEISA-N 1 2 346.434 3.554 10 0 EHAELO CC(C)c1nnc2n1CC[N@H+]([C@H](C)CCc1cccc(F)c1)[C@H]2C ZINC000249154236 1028992367 /nfs/dbraw/zinc/99/23/67/1028992367.db2.gz HYSCKHFNLSSVAE-CABCVRRESA-N 1 2 330.451 3.939 10 0 EHAELO CC(C)c1nnc2n1CC[N@@H+]([C@H](C)CCc1cccc(F)c1)[C@H]2C ZINC000249154236 1028992386 /nfs/dbraw/zinc/99/23/86/1028992386.db2.gz HYSCKHFNLSSVAE-CABCVRRESA-N 1 2 330.451 3.939 10 0 EHAELO Cc1ccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)o1 ZINC000093864901 1030687287 /nfs/dbraw/zinc/68/72/87/1030687287.db2.gz ZGIMSWRMNWXGOS-SFHVURJKSA-N 1 2 341.386 3.691 10 0 EHAELO Cc1ccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)o1 ZINC000093864901 1030687295 /nfs/dbraw/zinc/68/72/95/1030687295.db2.gz ZGIMSWRMNWXGOS-SFHVURJKSA-N 1 2 341.386 3.691 10 0 EHAELO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ncc(-c3ccccc3)cn2)o1 ZINC000185874551 1035552295 /nfs/dbraw/zinc/55/22/95/1035552295.db2.gz OCXSFBRALPDEPV-UHFFFAOYSA-N 1 2 345.406 3.725 10 0 EHAELO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+](Cc1nccs1)C1CC1 ZINC000191733744 1036425158 /nfs/dbraw/zinc/42/51/58/1036425158.db2.gz OMUNZYKUHRFZCQ-AWEZNQCLSA-N 1 2 337.489 3.507 10 0 EHAELO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+](Cc1nccs1)C1CC1 ZINC000191733744 1036425166 /nfs/dbraw/zinc/42/51/66/1036425166.db2.gz OMUNZYKUHRFZCQ-AWEZNQCLSA-N 1 2 337.489 3.507 10 0 EHAELO c1[nH]c([C@@H]2CCC[N@@H+](Cc3noc(C4CC4)n3)C2)nc1-c1ccccc1 ZINC000114481632 1037801060 /nfs/dbraw/zinc/80/10/60/1037801060.db2.gz FEJHPIKZZOLQGH-MRXNPFEDSA-N 1 2 349.438 3.717 10 0 EHAELO c1[nH]c([C@@H]2CCC[N@H+](Cc3noc(C4CC4)n3)C2)nc1-c1ccccc1 ZINC000114481632 1037801088 /nfs/dbraw/zinc/80/10/88/1037801088.db2.gz FEJHPIKZZOLQGH-MRXNPFEDSA-N 1 2 349.438 3.717 10 0 EHAELO COc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccccc3)no2)cc1F ZINC000102699824 1127766702 /nfs/dbraw/zinc/76/67/02/1127766702.db2.gz VFXCFSOVRPFOCR-LBPRGKRZSA-N 1 2 327.359 3.735 10 0 EHAELO Nc1c(Nc2cccc3cccnc32)nc[nH+]c1N1CCCCCC1 ZINC000040725453 213376548 /nfs/dbraw/zinc/37/65/48/213376548.db2.gz YYDIHOBOTLPJQL-UHFFFAOYSA-N 1 2 334.427 3.731 10 0 EHAELO 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c1cn(-c2ccc(C[NH2+]Cc3ncc(-c4ccccc4)cn3)cc2)cn1 ZINC000185864910 1035551998 /nfs/dbraw/zinc/55/19/98/1035551998.db2.gz FYKQIDCVMFMQGA-UHFFFAOYSA-N 1 2 341.418 3.619 10 0 EHAELO C[C@H](CC1CCCCC1)C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186435830 1035633157 /nfs/dbraw/zinc/63/31/57/1035633157.db2.gz PINWSVZVECZYSE-QGZVFWFLSA-N 1 2 329.488 3.727 10 0 EHAELO Cc1ccc([C@H]2C[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)CCO2)o1 ZINC000186847211 1035730879 /nfs/dbraw/zinc/73/08/79/1035730879.db2.gz HLZCXIOIHUZQRT-LJQANCHMSA-N 1 2 343.423 3.807 10 0 EHAELO Cc1ccc([C@H]2C[N@@H+](Cc3ccc4c(c3)COC(C)(C)O4)CCO2)o1 ZINC000186847211 1035730896 /nfs/dbraw/zinc/73/08/96/1035730896.db2.gz HLZCXIOIHUZQRT-LJQANCHMSA-N 1 2 343.423 3.807 10 0 EHAELO O=C(Nc1cc(F)ccc1Cl)NC1CCN(c2cccc[nH+]2)CC1 ZINC000102801348 1037585296 /nfs/dbraw/zinc/58/52/96/1037585296.db2.gz URPKXZCZGPQJFU-UHFFFAOYSA-N 1 2 348.809 3.665 10 0 EHAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(O)ccc23)cs1 ZINC000189820452 1140366819 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ZINC000247324834 1028776146 /nfs/dbraw/zinc/77/61/46/1028776146.db2.gz XVQSNVSVNWSILP-HUUCEWRRSA-N 1 2 349.500 3.952 10 0 EHAELO c1csc(-c2nc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)cs2)c1 ZINC000247317536 1028776475 /nfs/dbraw/zinc/77/64/75/1028776475.db2.gz VXTBDPFBTDOSOM-TZMCWYRMSA-N 1 2 338.523 3.578 10 0 EHAELO c1csc(-c2nc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)cs2)c1 ZINC000247317536 1028776488 /nfs/dbraw/zinc/77/64/88/1028776488.db2.gz VXTBDPFBTDOSOM-TZMCWYRMSA-N 1 2 338.523 3.578 10 0 EHAELO Cc1cscc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245703317 1029059194 /nfs/dbraw/zinc/05/91/94/1029059194.db2.gz RIBWCGVIHVFQCS-CVEARBPZSA-N 1 2 336.407 3.510 10 0 EHAELO Cc1cscc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245703317 1029059209 /nfs/dbraw/zinc/05/92/09/1029059209.db2.gz RIBWCGVIHVFQCS-CVEARBPZSA-N 1 2 336.407 3.510 10 0 EHAELO Cc1csc2nc(C)nc(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c12 ZINC000274720935 1029845601 /nfs/dbraw/zinc/84/56/01/1029845601.db2.gz XUKGFUNZBOLRGR-FZMZJTMJSA-N 1 2 327.457 3.592 10 0 EHAELO C[C@H](NC(=O)[C@H]1Oc2ccccc2[C@@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173915278 1031131344 /nfs/dbraw/zinc/13/13/44/1031131344.db2.gz STAFHNJHEXAKQW-AVYPCKFXSA-N 1 2 347.418 3.614 10 0 EHAELO C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000117623258 1031783194 /nfs/dbraw/zinc/78/31/94/1031783194.db2.gz RFZHGBKBVDUFCK-XIKOKIGWSA-N 1 2 337.354 3.515 10 0 EHAELO O=C(Nc1cccc(Cl)c1Cl)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180372323 1031847487 /nfs/dbraw/zinc/84/74/87/1031847487.db2.gz GUAQOXYHEAIQNB-NSHDSACASA-N 1 2 339.226 3.886 10 0 EHAELO O=C(CC1CCC(C(F)(F)F)CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180712805 1031900743 /nfs/dbraw/zinc/90/07/43/1031900743.db2.gz RWSZZMJEDCNDOS-NRXISQOPSA-N 1 2 343.393 3.633 10 0 EHAELO O=C(Cc1ccc2ccccc2c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186413762 1035630823 /nfs/dbraw/zinc/63/08/23/1035630823.db2.gz INKYKWSRROTTSN-UHFFFAOYSA-N 1 2 345.446 3.516 10 0 EHAELO C[C@H](CCC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000186385042 1035651405 /nfs/dbraw/zinc/65/14/05/1035651405.db2.gz SOPFWJHJGAITKZ-GOSISDBHSA-N 1 2 337.467 3.704 10 0 EHAELO CC[C@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(OC)cc1 ZINC000162534362 1042733455 /nfs/dbraw/zinc/73/34/55/1042733455.db2.gz BSHGCAJJRVLDKJ-RBUKOAKNSA-N 1 2 336.439 3.952 10 0 EHAELO C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000269873700 1128795929 /nfs/dbraw/zinc/79/59/29/1128795929.db2.gz VXBLLZLDICZTBR-VKJFTORMSA-N 1 2 338.455 3.937 10 0 EHAELO COc1ccccc1Nc1nc[nH+]c(N(CC(C)C)CC(C)C)c1N ZINC000040735656 213379115 /nfs/dbraw/zinc/37/91/15/213379115.db2.gz VEBSYBJVMUXGEI-UHFFFAOYSA-N 1 2 343.475 3.929 10 0 EHAELO CCCNc1[nH+]cnc(Nc2ncc(C(F)(F)F)cc2Cl)c1N ZINC000040707981 213371973 /nfs/dbraw/zinc/37/19/73/213371973.db2.gz OBCGXFASELOWLE-UHFFFAOYSA-N 1 2 346.744 3.692 10 0 EHAELO OCCCc1[nH+]c2ccccc2n1Cc1cccc(Br)c1 ZINC000040225282 213282160 /nfs/dbraw/zinc/28/21/60/213282160.db2.gz KNGPNHARPFPRMK-UHFFFAOYSA-N 1 2 345.240 3.772 10 0 EHAELO CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1[nH]c2ccccc2[nH+]1 ZINC000095075175 218272684 /nfs/dbraw/zinc/27/26/84/218272684.db2.gz PHPCTNZELVIRRG-CQSZACIVSA-N 1 2 344.459 3.646 10 0 EHAELO Cn1c(CN2CCC[C@H]2c2[nH]c3c([nH+]2)CCCC3)nc2ccccc21 ZINC000328622665 258034906 /nfs/dbraw/zinc/03/49/06/258034906.db2.gz BLQOPFXGXIEVRG-SFHVURJKSA-N 1 2 335.455 3.512 10 0 EHAELO CC(C)[N@H+]1Cc2cc(C(=O)NCc3cc(F)cc(F)c3)sc2C1 ZINC000065238657 564103289 /nfs/dbraw/zinc/10/32/89/564103289.db2.gz LGJNYGIGPJDBTR-UHFFFAOYSA-N 1 2 336.407 3.680 10 0 EHAELO CC(C)[N@@H+]1Cc2cc(C(=O)NCc3cc(F)cc(F)c3)sc2C1 ZINC000065238657 564103290 /nfs/dbraw/zinc/10/32/90/564103290.db2.gz LGJNYGIGPJDBTR-UHFFFAOYSA-N 1 2 336.407 3.680 10 0 EHAELO