smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(Cc1c[nH+]cn1C)c1cccc(OCc2ccc(F)cc2)c1 ZINC000019526663 202009535 /nfs/dbraw/zinc/00/95/35/202009535.db2.gz AUXPITJITMKTQP-UHFFFAOYSA-N 1 2 339.414 4.165 40 0 EIABLO COc1ccccc1C[NH2+][C@H](Cc1ccsc1)c1nccs1 ZINC000019570853 202013447 /nfs/dbraw/zinc/01/34/47/202013447.db2.gz JRPAOHFUDHGRBX-OAHLLOKOSA-N 1 2 330.478 4.287 40 0 EIABLO Cc1[nH+]cc(NC(=O)CC(C)C)n1-c1nc(-c2ccccc2)cs1 ZINC000035682930 202308387 /nfs/dbraw/zinc/30/83/87/202308387.db2.gz NRVDTEAGOAYZMM-UHFFFAOYSA-N 1 2 340.452 4.289 40 0 EIABLO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 ZINC000072358230 203204299 /nfs/dbraw/zinc/20/42/99/203204299.db2.gz VXVRYRQMFKMGEI-OAQYLSRUSA-N 1 2 346.478 4.226 40 0 EIABLO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2)n1 ZINC000072358230 203204303 /nfs/dbraw/zinc/20/43/03/203204303.db2.gz VXVRYRQMFKMGEI-OAQYLSRUSA-N 1 2 346.478 4.226 40 0 EIABLO COC(=O)c1ccc(Nc2cc[nH+]c3cc(Cl)c(OC)cc23)cc1 ZINC000064874608 257690945 /nfs/dbraw/zinc/69/09/45/257690945.db2.gz MQFHFAPAIHXNOY-UHFFFAOYSA-N 1 2 342.782 4.427 40 0 EIABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)ccc1F ZINC000329038690 262507406 /nfs/dbraw/zinc/50/74/06/262507406.db2.gz RUWDKPOCGOZOEA-UHFFFAOYSA-N 1 2 326.419 4.322 40 0 EIABLO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C(C)C)ncc23)c1F ZINC000012188167 563655384 /nfs/dbraw/zinc/65/53/84/563655384.db2.gz FUXJCRWCZHLDFK-WMLDXEAASA-N 1 2 341.430 4.010 40 0 EIABLO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C(C)C)ncc23)c1F ZINC000012188167 563655386 /nfs/dbraw/zinc/65/53/86/563655386.db2.gz FUXJCRWCZHLDFK-WMLDXEAASA-N 1 2 341.430 4.010 40 0 EIABLO CC(=O)N(C)c1ccc(Nc2cc(C)[nH+]c3ccc4[nH]cnc4c23)cc1 ZINC000018009339 563846968 /nfs/dbraw/zinc/84/69/68/563846968.db2.gz XJXLRNPVSQADMZ-UHFFFAOYSA-N 1 2 345.406 4.146 40 0 in-man EIABLO Cc1ccc([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000044856411 563927207 /nfs/dbraw/zinc/92/72/07/563927207.db2.gz MPVNQXMXFHLJMZ-QGZVFWFLSA-N 1 2 333.435 4.039 40 0 EIABLO CN(C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212626 563984481 /nfs/dbraw/zinc/98/44/81/563984481.db2.gz NLDGTIRVEZWDRN-SFHVURJKSA-N 1 2 339.439 4.011 40 0 EIABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213714 563984627 /nfs/dbraw/zinc/98/46/27/563984627.db2.gz BGZQTTMGNMFITQ-SFHVURJKSA-N 1 2 337.423 4.130 40 0 EIABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1cccc(Cl)c1C)C2 ZINC000008367576 563997684 /nfs/dbraw/zinc/99/76/84/563997684.db2.gz ZNMIURGVLQUCSV-UHFFFAOYSA-N 1 2 328.843 4.220 40 0 EIABLO CCOc1ccc2cc3c(nc2c1)OCC[N@@H+](Cc1ccccc1)C3 ZINC000057718821 564035102 /nfs/dbraw/zinc/03/51/02/564035102.db2.gz FRMNUZNVSJTOON-UHFFFAOYSA-N 1 2 334.419 4.028 40 0 EIABLO CCOc1ccc2cc3c(nc2c1)OCC[N@H+](Cc1ccccc1)C3 ZINC000057718821 564035103 /nfs/dbraw/zinc/03/51/03/564035103.db2.gz FRMNUZNVSJTOON-UHFFFAOYSA-N 1 2 334.419 4.028 40 0 EIABLO Cc1cccc([C@@H](NC(=S)Nc2cc[nH+]cc2)c2ccccc2)c1 ZINC000225701741 564049509 /nfs/dbraw/zinc/04/95/09/564049509.db2.gz SARBNAFCRBAISZ-IBGZPJMESA-N 1 2 333.460 4.466 40 0 EIABLO Cc1cc(CC2CCN(C(=O)c3cccc4ncccc43)CC2)cc[nH+]1 ZINC000257327956 564055473 /nfs/dbraw/zinc/05/54/73/564055473.db2.gz XDMZGBGXTKBWFM-UHFFFAOYSA-N 1 2 345.446 4.033 40 0 EIABLO CC1(C)Cc2ccccc2CN1c1cc(NCc2ccccc2)[nH+]cn1 ZINC000328966329 564071033 /nfs/dbraw/zinc/07/10/33/564071033.db2.gz CLNZLNQDTYSTIZ-UHFFFAOYSA-N 1 2 344.462 4.430 40 0 EIABLO CC1(C)Cc2ccccc2CN1c1cc(NCc2ccccc2)nc[nH+]1 ZINC000328966329 564071034 /nfs/dbraw/zinc/07/10/34/564071034.db2.gz CLNZLNQDTYSTIZ-UHFFFAOYSA-N 1 2 344.462 4.430 40 0 EIABLO Cc1cc(C)c(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c(C)c1 ZINC000328984475 564071268 /nfs/dbraw/zinc/07/12/68/564071268.db2.gz HMVDCWGAKZZZHF-UHFFFAOYSA-N 1 2 344.462 4.231 40 0 EIABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329010746 564071517 /nfs/dbraw/zinc/07/15/17/564071517.db2.gz MBDSMZJVKLJPAR-UHFFFAOYSA-N 1 2 326.419 4.403 40 0 EIABLO CC[C@H](C)Nc1nc(Nc2c(C)cc(Cl)cc2C)cc(C2CC2)[nH+]1 ZINC000329032720 564071737 /nfs/dbraw/zinc/07/17/37/564071737.db2.gz QPEFQVYDOKPVKC-ZDUSSCGKSA-N 1 2 344.890 4.422 40 0 EIABLO Cc1c(C[N@@H+]2CCn3cccc3[C@H]2C(C)C)cnn1Cc1ccccc1 ZINC000019554542 202012011 /nfs/dbraw/zinc/01/20/11/202012011.db2.gz GAECTOKSTGYTDA-JOCHJYFZSA-N 1 2 348.494 4.254 40 0 EIABLO Cc1c(C[N@H+]2CCn3cccc3[C@H]2C(C)C)cnn1Cc1ccccc1 ZINC000019554542 202012015 /nfs/dbraw/zinc/01/20/15/202012015.db2.gz GAECTOKSTGYTDA-JOCHJYFZSA-N 1 2 348.494 4.254 40 0 EIABLO COc1ccccc1C[NH2+][C@@H](Cc1ccsc1)c1nccs1 ZINC000019570850 202013526 /nfs/dbraw/zinc/01/35/26/202013526.db2.gz JRPAOHFUDHGRBX-HNNXBMFYSA-N 1 2 330.478 4.287 40 0 EIABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216100 257688225 /nfs/dbraw/zinc/68/82/25/257688225.db2.gz NNPUJWYPSWALMZ-INIZCTEOSA-N 1 2 331.460 4.144 40 0 EIABLO Cc1ccc(C)c2nc3c(cc12)C[N@H+](CCOc1ccccc1)CCO3 ZINC000013563775 563701796 /nfs/dbraw/zinc/70/17/96/563701796.db2.gz BMTDPRGXWZRRFR-UHFFFAOYSA-N 1 2 348.446 4.125 40 0 EIABLO Cc1ccc(C)c2nc3c(cc12)C[N@@H+](CCOc1ccccc1)CCO3 ZINC000013563775 563701800 /nfs/dbraw/zinc/70/18/00/563701800.db2.gz BMTDPRGXWZRRFR-UHFFFAOYSA-N 1 2 348.446 4.125 40 0 EIABLO CCN(C)c1[nH+]cccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072212772 563984510 /nfs/dbraw/zinc/98/45/10/563984510.db2.gz NCYUHQDISHBSII-GOSISDBHSA-N 1 2 339.439 4.011 40 0 EIABLO CCCNc1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213190 563984567 /nfs/dbraw/zinc/98/45/67/563984567.db2.gz UTVOUZQALFYFNQ-GOSISDBHSA-N 1 2 339.439 4.377 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216078 563985510 /nfs/dbraw/zinc/98/55/10/563985510.db2.gz ZJLIMKFYTVFFRH-HXUWFJFHSA-N 1 2 349.478 4.439 40 0 EIABLO COc1cc(C)c2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000013563865 564020350 /nfs/dbraw/zinc/02/03/50/564020350.db2.gz KQOWWDWXSNUVOM-MRXNPFEDSA-N 1 2 348.446 4.335 40 0 EIABLO COc1cc(C)c2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000013563865 564020351 /nfs/dbraw/zinc/02/03/51/564020351.db2.gz KQOWWDWXSNUVOM-MRXNPFEDSA-N 1 2 348.446 4.335 40 0 EIABLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(Cl)cc1 ZINC000225452597 564046902 /nfs/dbraw/zinc/04/69/02/564046902.db2.gz MDZKKUNAPJTGEC-UHFFFAOYSA-N 1 2 342.855 4.012 40 0 EIABLO Cc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NC(C)(C)C)n1 ZINC000329034312 564071733 /nfs/dbraw/zinc/07/17/33/564071733.db2.gz QXQFQAQPQILRSS-UHFFFAOYSA-N 1 2 347.466 4.091 40 0 EIABLO CC(C)(C)Nc1nc(Nc2cccc(O)c2)cc(-c2ccccc2)[nH+]1 ZINC000329065990 564072060 /nfs/dbraw/zinc/07/20/60/564072060.db2.gz XWDTUNKGXNYZAU-UHFFFAOYSA-N 1 2 334.423 4.225 40 0 EIABLO CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2[nH]c3ccccc3[nH+]2)C[C@H]1C(C)C ZINC000072320794 202363492 /nfs/dbraw/zinc/36/34/92/202363492.db2.gz WNQLIDNLDWFEJG-BZSNNMDCSA-N 1 2 339.483 4.096 40 0 biogenic,in-vitro EIABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@@H+]1Cc1ccccc1 ZINC000072337358 203202605 /nfs/dbraw/zinc/20/26/05/203202605.db2.gz BTKMMJHOCAAXKY-FUHWJXTLSA-N 1 2 346.478 4.289 40 0 EIABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3[N@H+]1Cc1ccccc1 ZINC000072337358 203202608 /nfs/dbraw/zinc/20/26/08/203202608.db2.gz BTKMMJHOCAAXKY-FUHWJXTLSA-N 1 2 346.478 4.289 40 0 EIABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000013265230 563693176 /nfs/dbraw/zinc/69/31/76/563693176.db2.gz QMOOQOPCUWJKBH-PXAZEXFGSA-N 1 2 334.250 4.354 40 0 EIABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000013265230 563693178 /nfs/dbraw/zinc/69/31/78/563693178.db2.gz QMOOQOPCUWJKBH-PXAZEXFGSA-N 1 2 334.250 4.354 40 0 EIABLO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219863353 564035525 /nfs/dbraw/zinc/03/55/25/564035525.db2.gz HCBCDVHPYDHLQA-GOSISDBHSA-N 1 2 336.479 4.397 40 0 EIABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000219857067 564035551 /nfs/dbraw/zinc/03/55/51/564035551.db2.gz FYDRPPRFKCQSNS-UHFFFAOYSA-N 1 2 330.378 4.128 40 0 EIABLO CSc1cccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000328966218 564071020 /nfs/dbraw/zinc/07/10/20/564071020.db2.gz CIXRWCMTPASDOT-UHFFFAOYSA-N 1 2 328.485 4.452 40 0 EIABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000328965684 564071027 /nfs/dbraw/zinc/07/10/27/564071027.db2.gz CFFKOLWWNAJZLJ-UHFFFAOYSA-N 1 2 344.462 4.176 40 0 EIABLO CC[C@@H](C)Nc1nc(NCc2ccccc2C)cc(-c2ccccc2)[nH+]1 ZINC000328978811 564071172 /nfs/dbraw/zinc/07/11/72/564071172.db2.gz GBSCFSMVUFDBNH-QGZVFWFLSA-N 1 2 346.478 4.118 40 0 EIABLO CSc1ccccc1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000328983326 564071264 /nfs/dbraw/zinc/07/12/64/564071264.db2.gz HGLHLSDUNVKBHJ-UHFFFAOYSA-N 1 2 328.485 4.452 40 0 EIABLO Cc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC(C)(C)C)n2)cc1 ZINC000329028573 564071690 /nfs/dbraw/zinc/07/16/90/564071690.db2.gz PVTLXABUDJEZDH-UHFFFAOYSA-N 1 2 347.466 4.091 40 0 EIABLO CC[C@H](C)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000329027337 564071709 /nfs/dbraw/zinc/07/17/09/564071709.db2.gz PSARZCVCNZKAEZ-NSHDSACASA-N 1 2 348.397 4.331 40 0 EIABLO CNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329066557 564072130 /nfs/dbraw/zinc/07/21/30/564072130.db2.gz YATVZETXGLYCPT-UHFFFAOYSA-N 1 2 345.233 4.080 40 0 EIABLO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000030938762 202201178 /nfs/dbraw/zinc/20/11/78/202201178.db2.gz MJRHRSXFXOMFSB-UHFFFAOYSA-N 1 2 346.217 4.491 40 0 EIABLO COc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000242792128 205089601 /nfs/dbraw/zinc/08/96/01/205089601.db2.gz FAICRIAKEFUWJS-UHFFFAOYSA-N 1 2 332.407 4.470 40 0 EIABLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000012640126 207183062 /nfs/dbraw/zinc/18/30/62/207183062.db2.gz ZSMFBOKGMFVTDS-UHFFFAOYSA-N 1 2 340.471 4.024 40 0 EIABLO CC[C@@H](C)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000329027328 257904356 /nfs/dbraw/zinc/90/43/56/257904356.db2.gz PSARZCVCNZKAEZ-LLVKDONJSA-N 1 2 348.397 4.331 40 0 EIABLO Cc1cc2[nH+]c(-c3ccc(I)cc3)[nH]c2c(C)c1 ZINC000070462766 564063671 /nfs/dbraw/zinc/06/36/71/564063671.db2.gz FEDHAJYTQWSMIT-UHFFFAOYSA-N 1 2 348.187 4.451 40 0 EIABLO Clc1ccc([C@@H](c2nnnn2C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000004230570 563498049 /nfs/dbraw/zinc/49/80/49/563498049.db2.gz VLOCKYJSSQCOMV-KRWDZBQOSA-N 1 2 345.878 4.017 40 0 EIABLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C)cc1C ZINC000044856725 563927276 /nfs/dbraw/zinc/92/72/76/563927276.db2.gz HTPFQXBWOIIYFX-NRFANRHFSA-N 1 2 347.462 4.429 40 0 EIABLO CCSc1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044938699 563928542 /nfs/dbraw/zinc/92/85/42/563928542.db2.gz ZSCXFDYNUVBWRV-UHFFFAOYSA-N 1 2 337.448 4.296 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213874 563984641 /nfs/dbraw/zinc/98/46/41/563984641.db2.gz XBUVDBBQOGHUBF-LJQANCHMSA-N 1 2 335.451 4.413 40 0 EIABLO Cc1cc2[nH+]cn(CC(=O)Nc3ccccc3C(F)(F)F)c2cc1C ZINC000000420271 563997361 /nfs/dbraw/zinc/99/73/61/563997361.db2.gz YCGTZMWAAAFDQR-UHFFFAOYSA-N 1 2 347.340 4.311 40 0 EIABLO CCc1ccc(C[N@@H+](Cc2cn(CC)nc2C)Cc2cccnc2)cc1 ZINC000013569114 564020152 /nfs/dbraw/zinc/02/01/52/564020152.db2.gz GJEGOGYBKMJCLY-UHFFFAOYSA-N 1 2 348.494 4.371 40 0 EIABLO CCc1ccc(C[N@H+](Cc2cn(CC)nc2C)Cc2cccnc2)cc1 ZINC000013569114 564020153 /nfs/dbraw/zinc/02/01/53/564020153.db2.gz GJEGOGYBKMJCLY-UHFFFAOYSA-N 1 2 348.494 4.371 40 0 EIABLO Cc1cc(C)c2nc3c(cc2c1)C[N@@H+](CCOc1ccccc1)CCO3 ZINC000013563743 564020274 /nfs/dbraw/zinc/02/02/74/564020274.db2.gz PGZIBRZGPKURPA-UHFFFAOYSA-N 1 2 348.446 4.125 40 0 EIABLO Cc1cc(C)c2nc3c(cc2c1)C[N@H+](CCOc1ccccc1)CCO3 ZINC000013563743 564020275 /nfs/dbraw/zinc/02/02/75/564020275.db2.gz PGZIBRZGPKURPA-UHFFFAOYSA-N 1 2 348.446 4.125 40 0 EIABLO Cc1ccc([NH+]2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1 ZINC000219854078 564035466 /nfs/dbraw/zinc/03/54/66/564035466.db2.gz VZXJPYXKUKDBNW-UHFFFAOYSA-N 1 2 326.484 4.218 40 0 EIABLO Cc1ccc([NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000219851603 564035491 /nfs/dbraw/zinc/03/54/91/564035491.db2.gz YQVPHPSBLYDSOQ-UHFFFAOYSA-N 1 2 342.870 4.181 40 0 EIABLO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000223500007 564040252 /nfs/dbraw/zinc/04/02/52/564040252.db2.gz MCHDCGJKWCZDDJ-SFHVURJKSA-N 1 2 347.462 4.348 40 0 EIABLO CC[C@@H](C)Nc1nc(NCc2ccc(C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329050064 564071942 /nfs/dbraw/zinc/07/19/42/564071942.db2.gz USNCPLDKEXDKSW-QGZVFWFLSA-N 1 2 346.478 4.118 40 0 EIABLO CC[C@H](C)Nc1nc(Nc2c(C)ccc(Cl)c2C)cc(C2CC2)[nH+]1 ZINC000329060767 564072027 /nfs/dbraw/zinc/07/20/27/564072027.db2.gz WNSLHANFKPKKAO-LBPRGKRZSA-N 1 2 344.890 4.422 40 0 EIABLO CC(C)(C)c1ccc(-c2nnc([C@@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1 ZINC000095534025 564141685 /nfs/dbraw/zinc/14/16/85/564141685.db2.gz QTILLFKUDOOBBW-INIZCTEOSA-N 1 2 340.858 4.471 40 0 EIABLO CC(C)(C)c1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccc(Cl)cc3)n2)cc1 ZINC000095534025 564141686 /nfs/dbraw/zinc/14/16/86/564141686.db2.gz QTILLFKUDOOBBW-INIZCTEOSA-N 1 2 340.858 4.471 40 0 EIABLO Cc1c(Cl)cccc1Nc1nc(NC(C)C)[nH+]c(NC(C)C)n1 ZINC000005255719 201644536 /nfs/dbraw/zinc/64/45/36/201644536.db2.gz LRXYFYXQIDRISJ-UHFFFAOYSA-N 1 2 334.855 4.218 40 0 EIABLO CC(C)(C)Nc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000242722504 205088107 /nfs/dbraw/zinc/08/81/07/205088107.db2.gz DCBRYFHCSBZZAY-UHFFFAOYSA-N 1 2 333.439 4.361 40 0 EIABLO COc1ccc(Cc2cnc([C@@H]3CCC[N@@H+]3Cc3ccccn3)o2)cc1 ZINC000257266441 536533545 /nfs/dbraw/zinc/53/35/45/536533545.db2.gz MDAPFPMXPXHPQC-FQEVSTJZSA-N 1 2 349.434 4.006 40 0 EIABLO COc1ccc(Cc2cnc([C@@H]3CCC[N@H+]3Cc3ccccn3)o2)cc1 ZINC000257266441 536533554 /nfs/dbraw/zinc/53/35/54/536533554.db2.gz MDAPFPMXPXHPQC-FQEVSTJZSA-N 1 2 349.434 4.006 40 0 EIABLO Nc1ccc2oc(-c3ccc(-c4[nH]c5ccc(N)cc5[nH+]4)cc3)nc2c1 ZINC000000263628 563268617 /nfs/dbraw/zinc/26/86/17/563268617.db2.gz QMBCSUYNLYQLMX-UHFFFAOYSA-N 1 2 341.374 4.203 40 0 EIABLO O[C@@H]1c2cc(Cl)cc(Cl)c2O[C@@]2([NH+]3CCCC3)CCCC[C@@H]12 ZINC000005664712 563544445 /nfs/dbraw/zinc/54/44/45/563544445.db2.gz WLUNTGWRRIECID-LXZKKBNFSA-N 1 2 342.266 4.402 40 0 EIABLO CC(C)C[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000044936994 563928520 /nfs/dbraw/zinc/92/85/20/563928520.db2.gz UKNJCFAJIBXNDY-NRFANRHFSA-N 1 2 347.462 4.449 40 0 EIABLO CCCNc1[nH+]cccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072213130 563984512 /nfs/dbraw/zinc/98/45/12/563984512.db2.gz NRAKQCBPKHYLED-GOSISDBHSA-N 1 2 339.439 4.377 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215958 563985461 /nfs/dbraw/zinc/98/54/61/563985461.db2.gz QWYFGDZDWQMCGB-LJQANCHMSA-N 1 2 335.451 4.049 40 0 EIABLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000001371012 564003454 /nfs/dbraw/zinc/00/34/54/564003454.db2.gz YMRBZHCMQASPHQ-VAWYXSNFSA-N 1 2 345.446 4.222 40 0 EIABLO S=C(NCC1(c2ccccc2)CCCCC1)Nc1cc[nH+]cc1 ZINC000223992320 564041367 /nfs/dbraw/zinc/04/13/67/564041367.db2.gz WRHQEABRYHNFLZ-UHFFFAOYSA-N 1 2 325.481 4.270 40 0 EIABLO c1nc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)c2)cs1 ZINC000257290991 564054845 /nfs/dbraw/zinc/05/48/45/564054845.db2.gz QFDJWRMNMJQDQP-INIZCTEOSA-N 1 2 337.452 4.014 40 0 EIABLO c1nc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)c2)cs1 ZINC000257290991 564054846 /nfs/dbraw/zinc/05/48/46/564054846.db2.gz QFDJWRMNMJQDQP-INIZCTEOSA-N 1 2 337.452 4.014 40 0 EIABLO CCc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328962591 564070960 /nfs/dbraw/zinc/07/09/60/564070960.db2.gz BJWJRRLCGUSEDJ-UHFFFAOYSA-N 1 2 336.483 4.167 40 0 EIABLO Cc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328980021 564071203 /nfs/dbraw/zinc/07/12/03/564071203.db2.gz GKOQGMWVEGSUSS-UHFFFAOYSA-N 1 2 342.874 4.258 40 0 EIABLO CC[C@H](C)Nc1nc(Nc2ccccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329030729 564071721 /nfs/dbraw/zinc/07/17/21/564071721.db2.gz QFIJTACUAPLVHP-INIZCTEOSA-N 1 2 332.451 4.250 40 0 EIABLO CCc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000329034769 564071762 /nfs/dbraw/zinc/07/17/62/564071762.db2.gz QZSBBNCFXISCRH-UHFFFAOYSA-N 1 2 346.478 4.422 40 0 EIABLO CC(C)Nc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329052623 564071967 /nfs/dbraw/zinc/07/19/67/564071967.db2.gz VCYYMQSJUSRCCQ-UHFFFAOYSA-N 1 2 337.254 4.069 40 0 EIABLO Cc1cc(Cl)cc(C)c1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000329058982 564072009 /nfs/dbraw/zinc/07/20/09/564072009.db2.gz WENKIRDKUJJTJX-UHFFFAOYSA-N 1 2 330.863 4.032 40 0 EIABLO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CNc3cccc[nH+]3)C=C2C)o1 ZINC000035442638 564083530 /nfs/dbraw/zinc/08/35/30/564083530.db2.gz HOOVOIKKLPLEMQ-BZSNNMDCSA-N 1 2 340.471 4.282 40 0 biogenic,in-vitro EIABLO Clc1ccc(-c2nc(-c3cccnc3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000019341276 202006197 /nfs/dbraw/zinc/00/61/97/202006197.db2.gz AVHCYGCKLIQGKV-UHFFFAOYSA-N 1 2 333.782 4.249 40 0 EIABLO COc1ccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)c(F)c1 ZINC000019551793 202011735 /nfs/dbraw/zinc/01/17/35/202011735.db2.gz MCACWKFKRPQDFE-MRXNPFEDSA-N 1 2 348.468 4.426 40 0 EIABLO C[N@H+](Cc1c(F)cccc1Cl)[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019586307 202013435 /nfs/dbraw/zinc/01/34/35/202013435.db2.gz WWZIKWDJPHGBSJ-MAUKXSAKSA-N 1 2 337.797 4.233 40 0 EIABLO C[N@@H+](Cc1c(F)cccc1Cl)[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019586307 202013436 /nfs/dbraw/zinc/01/34/36/202013436.db2.gz WWZIKWDJPHGBSJ-MAUKXSAKSA-N 1 2 337.797 4.233 40 0 EIABLO CCN1CCc2cc(-c3c[nH+]cn3C[C@@H](C)n3nc(C)cc3C)ccc21 ZINC000019719388 202017037 /nfs/dbraw/zinc/01/70/37/202017037.db2.gz YPJJOVYZXYFPOA-QGZVFWFLSA-N 1 2 349.482 4.007 40 0 EIABLO Clc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCCCC3)n2)cc1 ZINC000067898529 202046595 /nfs/dbraw/zinc/04/65/95/202046595.db2.gz SFZYPSQGPOHSBE-SFHVURJKSA-N 1 2 345.874 4.436 40 0 biogenic,in-vitro EIABLO Clc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCCCC3)n2)cc1 ZINC000067898529 202046600 /nfs/dbraw/zinc/04/66/00/202046600.db2.gz SFZYPSQGPOHSBE-SFHVURJKSA-N 1 2 345.874 4.436 40 0 biogenic,in-vitro EIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1Cl ZINC000030851847 202199510 /nfs/dbraw/zinc/19/95/10/202199510.db2.gz KGLLJTKXFAJZHZ-UHFFFAOYSA-N 1 2 346.217 4.109 40 0 EIABLO Cc1ccc(C(=O)Nc2cc([NH+]3CCC(C)CC3)c(C)cc2N)cc1 ZINC000216867494 241217327 /nfs/dbraw/zinc/21/73/27/241217327.db2.gz VDLAKSNHMUHMQK-UHFFFAOYSA-N 1 2 337.467 4.374 40 0 EIABLO COc1cc(C)ccc1[C@@H]1[NH2+][C@H](c2nccs2)Cc2ccsc21 ZINC000072373013 203209719 /nfs/dbraw/zinc/20/97/19/203209719.db2.gz PDNAIWXGLFEAJV-HOCLYGCPSA-N 1 2 342.489 4.498 40 0 EIABLO Cc1ccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)cc1Cl ZINC000409206783 257874806 /nfs/dbraw/zinc/87/48/06/257874806.db2.gz PVDBBMRWYUVCFY-UHFFFAOYSA-N 1 2 328.843 4.220 40 0 EIABLO CC[C@@H](C)Nc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329007568 257906305 /nfs/dbraw/zinc/90/63/05/257906305.db2.gz LKRQPUHFDHCOGC-CQSZACIVSA-N 1 2 334.423 4.225 40 0 EIABLO O[C@H]1c2cc(Cl)cc(Cl)c2O[C@@]2([NH+]3CCCC3)CCCC[C@@H]12 ZINC000001573983 563393588 /nfs/dbraw/zinc/39/35/88/563393588.db2.gz WLUNTGWRRIECID-QRTARXTBSA-N 1 2 342.266 4.402 40 0 EIABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1c(Cl)cccc1Cl ZINC000013265212 563693075 /nfs/dbraw/zinc/69/30/75/563693075.db2.gz KBCZZGONNCEEMZ-APPDUMDISA-N 1 2 334.250 4.354 40 0 EIABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000013265212 563693077 /nfs/dbraw/zinc/69/30/77/563693077.db2.gz KBCZZGONNCEEMZ-APPDUMDISA-N 1 2 334.250 4.354 40 0 EIABLO CCN(CC)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212872 563984547 /nfs/dbraw/zinc/98/45/47/563984547.db2.gz NPYHWLHEUJCUNF-IBGZPJMESA-N 1 2 337.467 4.295 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072216019 563985455 /nfs/dbraw/zinc/98/54/55/563985455.db2.gz ILNIIKSBZRMTSM-IBGZPJMESA-N 1 2 335.451 4.049 40 0 EIABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215950 563985468 /nfs/dbraw/zinc/98/54/68/563985468.db2.gz QQFVQMPFKOKNQK-MRXNPFEDSA-N 1 2 331.460 4.144 40 0 EIABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216099 563985491 /nfs/dbraw/zinc/98/54/91/563985491.db2.gz NNPUJWYPSWALMZ-MRXNPFEDSA-N 1 2 331.460 4.144 40 0 EIABLO Cc1cc(N2CCc3ccccc3C2)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223894 563985876 /nfs/dbraw/zinc/98/58/76/563985876.db2.gz VACZFGWRMSFLDV-QFIPXVFZSA-N 1 2 330.431 4.034 40 0 EIABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1cccc3ccccc31)C2 ZINC000008367577 563997830 /nfs/dbraw/zinc/99/78/30/563997830.db2.gz YJZJYIUMOHABEX-UHFFFAOYSA-N 1 2 330.431 4.411 40 0 EIABLO CCc1[nH+]c2ccccc2n1C[C@H](O)COc1cccc2ccccc21 ZINC000003077606 564004138 /nfs/dbraw/zinc/00/41/38/564004138.db2.gz LSNDYZVZGXDZCK-KRWDZBQOSA-N 1 2 346.430 4.192 40 0 EIABLO CCCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000409143376 564010541 /nfs/dbraw/zinc/01/05/41/564010541.db2.gz NBEZPLNHIUXWTG-UHFFFAOYSA-N 1 2 336.439 4.326 40 0 EIABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000219863217 564035538 /nfs/dbraw/zinc/03/55/38/564035538.db2.gz HNTMDZNXZUVIKZ-QFIPXVFZSA-N 1 2 348.490 4.405 40 0 EIABLO Cc1ccc(Cl)c(C)c1Nc1cc(C2CC2)[nH+]c(NC(C)C)n1 ZINC000328979982 564071212 /nfs/dbraw/zinc/07/12/12/564071212.db2.gz GJTWRYQWFJNXLI-UHFFFAOYSA-N 1 2 330.863 4.032 40 0 EIABLO CC[C@@H](C)Nc1nc(Nc2ccc(C)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328986336 564071251 /nfs/dbraw/zinc/07/12/51/564071251.db2.gz HXMSGOZEAJTGOO-GFCCVEGCSA-N 1 2 330.863 4.114 40 0 EIABLO Cc1cc(C)c(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)c(C)c1 ZINC000328988324 564071321 /nfs/dbraw/zinc/07/13/21/564071321.db2.gz IFYCDCWFEXAKHN-UHFFFAOYSA-N 1 2 346.478 4.477 40 0 EIABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1Cl ZINC000329023947 564071632 /nfs/dbraw/zinc/07/16/32/564071632.db2.gz OWTYUSSPLUKNJK-UHFFFAOYSA-N 1 2 346.837 4.088 40 0 EIABLO Cc1cc(N2Cc3ccccc3C[C@H]2C)nc(Nc2ccccc2)[nH+]1 ZINC000329060652 564072021 /nfs/dbraw/zinc/07/20/21/564072021.db2.gz WMZQFNMOUVMRFY-MRXNPFEDSA-N 1 2 330.435 4.480 40 0 EIABLO CCNc1nc(Nc2ccc(OCC)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329069689 564072142 /nfs/dbraw/zinc/07/21/42/564072142.db2.gz YZOSRKPCHBLPDE-UHFFFAOYSA-N 1 2 334.423 4.140 40 0 EIABLO CCn1c2ccc(NC(=O)CC[C@@H]3CCCO3)cc2[nH+]c1C(C)C ZINC000019524246 202010322 /nfs/dbraw/zinc/01/03/22/202010322.db2.gz DCNLJEOSKHTLPD-HNNXBMFYSA-N 1 2 329.444 4.077 40 0 EIABLO CCCc1ccc(C[N@H+](C)Cc2nnc(-c3ccccc3)o2)s1 ZINC000019525483 202010581 /nfs/dbraw/zinc/01/05/81/202010581.db2.gz MCLVBKSSWJXHOC-UHFFFAOYSA-N 1 2 327.453 4.383 40 0 EIABLO CCCc1ccc(C[N@@H+](C)Cc2nnc(-c3ccccc3)o2)s1 ZINC000019525483 202010582 /nfs/dbraw/zinc/01/05/82/202010582.db2.gz MCLVBKSSWJXHOC-UHFFFAOYSA-N 1 2 327.453 4.383 40 0 EIABLO COc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c(F)c1 ZINC000019551795 202011322 /nfs/dbraw/zinc/01/13/22/202011322.db2.gz RESUQNKDKGIIPJ-INIZCTEOSA-N 1 2 348.468 4.426 40 0 EIABLO c1ccc(CCNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000242800027 205089560 /nfs/dbraw/zinc/08/95/60/205089560.db2.gz FDKMRFZOKBDTLH-UHFFFAOYSA-N 1 2 330.435 4.373 40 0 EIABLO CNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328972189 257908940 /nfs/dbraw/zinc/90/89/40/257908940.db2.gz DVFIDWGTSUHVHE-UHFFFAOYSA-N 1 2 345.233 4.080 40 0 EIABLO Clc1ccc([C@H](c2nnnn2C2CCCCC2)[NH+]2CCCC2)cc1 ZINC000004230571 563498059 /nfs/dbraw/zinc/49/80/59/563498059.db2.gz VLOCKYJSSQCOMV-QGZVFWFLSA-N 1 2 345.878 4.017 40 0 EIABLO Cc1cc(C)c2cc(CNc3ccc([NH+]4CCCC4)cc3)c(=O)[nH]c2c1 ZINC000012088258 563653219 /nfs/dbraw/zinc/65/32/19/563653219.db2.gz NIFREXRAKZMSIV-UHFFFAOYSA-N 1 2 347.462 4.357 40 0 EIABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000013265240 563693010 /nfs/dbraw/zinc/69/30/10/563693010.db2.gz CDCYSYACVZEUQD-SUMWQHHRSA-N 1 2 334.250 4.354 40 0 EIABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000013265240 563693013 /nfs/dbraw/zinc/69/30/13/563693013.db2.gz CDCYSYACVZEUQD-SUMWQHHRSA-N 1 2 334.250 4.354 40 0 EIABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216650 563985545 /nfs/dbraw/zinc/98/55/45/563985545.db2.gz AIUWHQIRQCVIIK-FQEVSTJZSA-N 1 2 349.478 4.439 40 0 EIABLO Cc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCCC1 ZINC000072218797 563985671 /nfs/dbraw/zinc/98/56/71/563985671.db2.gz DNEVHVHSCYLKCP-INIZCTEOSA-N 1 2 331.460 4.062 40 0 EIABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1N(C)Cc1ccccc1 ZINC000072222353 563985834 /nfs/dbraw/zinc/98/58/34/563985834.db2.gz WCWWHRXQULLZKQ-UHFFFAOYSA-N 1 2 341.455 4.051 40 0 EIABLO c1nc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)c2)cs1 ZINC000257290992 564054888 /nfs/dbraw/zinc/05/48/88/564054888.db2.gz QFDJWRMNMJQDQP-MRXNPFEDSA-N 1 2 337.452 4.014 40 0 EIABLO c1nc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3ccccn3)c2)cs1 ZINC000257290992 564054889 /nfs/dbraw/zinc/05/48/89/564054889.db2.gz QFDJWRMNMJQDQP-MRXNPFEDSA-N 1 2 337.452 4.014 40 0 EIABLO Clc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328963776 564070991 /nfs/dbraw/zinc/07/09/91/564070991.db2.gz BQZJQXCSDVYSHJ-UHFFFAOYSA-N 1 2 342.874 4.339 40 0 EIABLO CC[C@H](C)Nc1nc(Nc2ccc(C)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000328986339 564071247 /nfs/dbraw/zinc/07/12/47/564071247.db2.gz HXMSGOZEAJTGOO-LBPRGKRZSA-N 1 2 330.863 4.114 40 0 EIABLO CCNc1nc(Nc2c(C)cc(C)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000329037126 564071784 /nfs/dbraw/zinc/07/17/84/564071784.db2.gz RMKSHKVGAKPJOG-UHFFFAOYSA-N 1 2 332.451 4.088 40 0 EIABLO C[C@H]1Cc2ccccc2CN1c1cc(NCc2ccccc2)[nH+]cn1 ZINC000329043762 564071875 /nfs/dbraw/zinc/07/18/75/564071875.db2.gz SUTRIRYELDNISF-INIZCTEOSA-N 1 2 330.435 4.040 40 0 EIABLO C[C@H]1Cc2ccccc2CN1c1cc(NCc2ccccc2)nc[nH+]1 ZINC000329043762 564071876 /nfs/dbraw/zinc/07/18/76/564071876.db2.gz SUTRIRYELDNISF-INIZCTEOSA-N 1 2 330.435 4.040 40 0 EIABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1Cl ZINC000329066632 564072127 /nfs/dbraw/zinc/07/21/27/564072127.db2.gz YCTGRVPABOSGOA-UHFFFAOYSA-N 1 2 342.874 4.258 40 0 EIABLO Clc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]cn1)C2 ZINC000329070656 564072160 /nfs/dbraw/zinc/07/21/60/564072160.db2.gz ZJDFJFDBRQKMQP-UHFFFAOYSA-N 1 2 342.874 4.437 40 0 EIABLO Clc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc[nH+]1)C2 ZINC000329070656 564072161 /nfs/dbraw/zinc/07/21/61/564072161.db2.gz ZJDFJFDBRQKMQP-UHFFFAOYSA-N 1 2 342.874 4.437 40 0 EIABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccc(Cl)cc1C)C2 ZINC000008336303 564127249 /nfs/dbraw/zinc/12/72/49/564127249.db2.gz CZLKKSYCRZHPLV-UHFFFAOYSA-N 1 2 328.843 4.220 40 0 EIABLO Cc1cc(N(C)C)nc(SCc2ccc(Cl)cc2Cl)[nH+]1 ZINC000001681361 201516295 /nfs/dbraw/zinc/51/62/95/201516295.db2.gz RFYXUAOCVQLWDA-UHFFFAOYSA-N 1 2 328.268 4.450 40 0 EIABLO CNc1cc([C@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)cc[nH+]1 ZINC000257231263 244213016 /nfs/dbraw/zinc/21/30/16/244213016.db2.gz GFYZTGKRUZBZNB-QGZVFWFLSA-N 1 2 343.858 4.073 40 0 EIABLO Cc1cc(N2CCc3ccccc3C2)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223893 257686605 /nfs/dbraw/zinc/68/66/05/257686605.db2.gz VACZFGWRMSFLDV-JOCHJYFZSA-N 1 2 330.431 4.034 40 0 EIABLO COc1ccc(Cc2cnc([C@H]3CCC[N@@H+]3Cc3ccccn3)o2)cc1 ZINC000257266442 536534692 /nfs/dbraw/zinc/53/46/92/536534692.db2.gz MDAPFPMXPXHPQC-HXUWFJFHSA-N 1 2 349.434 4.006 40 0 EIABLO COc1ccc(Cc2cnc([C@H]3CCC[N@H+]3Cc3ccccn3)o2)cc1 ZINC000257266442 536534697 /nfs/dbraw/zinc/53/46/97/536534697.db2.gz MDAPFPMXPXHPQC-HXUWFJFHSA-N 1 2 349.434 4.006 40 0 EIABLO CN(C)c1ccc([NH+](C)C)cc1C(O)(c1ccccc1)c1ccccc1 ZINC000005386861 563530787 /nfs/dbraw/zinc/53/07/87/563530787.db2.gz XYGQOQIWPMFLRP-UHFFFAOYSA-N 1 2 346.474 4.103 40 0 EIABLO CC[C@H]1c2cccn2CC[N@H+]1Cc1cnn(Cc2ccccc2)c1C ZINC000012188602 563655866 /nfs/dbraw/zinc/65/58/66/563655866.db2.gz FCPWVHPLDTXTJG-FQEVSTJZSA-N 1 2 334.467 4.008 40 0 EIABLO CC[C@H]1c2cccn2CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1C ZINC000012188602 563655869 /nfs/dbraw/zinc/65/58/69/563655869.db2.gz FCPWVHPLDTXTJG-FQEVSTJZSA-N 1 2 334.467 4.008 40 0 EIABLO CCOc1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000013563744 563701710 /nfs/dbraw/zinc/70/17/10/563701710.db2.gz BRMLKIZRFZEURO-INIZCTEOSA-N 1 2 348.446 4.417 40 0 EIABLO CCOc1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000013563744 563701712 /nfs/dbraw/zinc/70/17/12/563701712.db2.gz BRMLKIZRFZEURO-INIZCTEOSA-N 1 2 348.446 4.417 40 0 EIABLO O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038835046 563922371 /nfs/dbraw/zinc/92/23/71/563922371.db2.gz IMMDSTSBPKROEK-UHFFFAOYSA-N 1 2 346.217 4.491 40 0 EIABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072216011 563985443 /nfs/dbraw/zinc/98/54/43/563985443.db2.gz VKSPKLXTLCOCFX-INIZCTEOSA-N 1 2 331.460 4.144 40 0 EIABLO Cc1[nH+]c(N2CCc3ccccc3C2)ccc1C(=O)c1ccccc1 ZINC000072224930 563985888 /nfs/dbraw/zinc/98/58/88/563985888.db2.gz XIXSTIRUKFCVKE-UHFFFAOYSA-N 1 2 328.415 4.184 40 0 EIABLO COc1ccc2cc3c(nc2c1)O[C@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000057712450 564035070 /nfs/dbraw/zinc/03/50/70/564035070.db2.gz AVBVHOVBQBIGDY-OAHLLOKOSA-N 1 2 334.419 4.027 40 0 EIABLO COc1ccc2cc3c(nc2c1)O[C@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000057712450 564035071 /nfs/dbraw/zinc/03/50/71/564035071.db2.gz AVBVHOVBQBIGDY-OAHLLOKOSA-N 1 2 334.419 4.027 40 0 EIABLO CC1(c2ncc(Cc3ccccc3)o2)CCN(c2cccc[nH+]2)CC1 ZINC000257340879 564055776 /nfs/dbraw/zinc/05/57/76/564055776.db2.gz ZHXCHIQZGDUATA-UHFFFAOYSA-N 1 2 333.435 4.219 40 0 EIABLO Cc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328997322 564071408 /nfs/dbraw/zinc/07/14/08/564071408.db2.gz JOXOYVRXIXIELR-UHFFFAOYSA-N 1 2 342.874 4.258 40 0 EIABLO Fc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCCCC3)n2)c(F)c1 ZINC000096296176 564146559 /nfs/dbraw/zinc/14/65/59/564146559.db2.gz WLCXEEZJSATXFB-SFHVURJKSA-N 1 2 347.409 4.061 40 0 biogenic,in-vitro EIABLO Fc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCCCC3)n2)c(F)c1 ZINC000096296176 564146560 /nfs/dbraw/zinc/14/65/60/564146560.db2.gz WLCXEEZJSATXFB-SFHVURJKSA-N 1 2 347.409 4.061 40 0 biogenic,in-vitro EIABLO CCOc1ccc(-c2nc(Nc3cccc(C(C)=O)c3)cc(N)[nH+]2)cc1 ZINC000049468098 214009885 /nfs/dbraw/zinc/00/98/85/214009885.db2.gz GIFCQKQNTSVGSQ-UHFFFAOYSA-N 1 2 348.406 4.071 40 0 EIABLO CCOc1ccc(-c2nc(N)cc(Nc3cccc(C(C)=O)c3)[nH+]2)cc1 ZINC000049468098 214009887 /nfs/dbraw/zinc/00/98/87/214009887.db2.gz GIFCQKQNTSVGSQ-UHFFFAOYSA-N 1 2 348.406 4.071 40 0 EIABLO CC(C)(C)Nc1nc(NCc2cccnc2)cc(-c2ccccc2)[nH+]1 ZINC000244541393 243037717 /nfs/dbraw/zinc/03/77/17/243037717.db2.gz ZYUQCBJLTWWCKD-UHFFFAOYSA-N 1 2 333.439 4.361 40 0 EIABLO COc1ccc([C@@H]2[NH2+][C@H](c3nccs3)Cc3ccsc32)cc1 ZINC000019557797 212042313 /nfs/dbraw/zinc/04/23/13/212042313.db2.gz REOBJUYTIICUHR-GJZGRUSLSA-N 1 2 328.462 4.190 40 0 EIABLO CC[C@H](C)Nc1nc(Nc2ccc(C)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329051911 257902794 /nfs/dbraw/zinc/90/27/94/257902794.db2.gz UZABRKKVWNUJPG-LBPRGKRZSA-N 1 2 330.863 4.114 40 0 EIABLO Cc1csc([C@H](Cc2cccs2)[NH2+]Cc2cccc(C)n2)n1 ZINC000019236345 563855167 /nfs/dbraw/zinc/85/51/67/563855167.db2.gz UORYRQABJCOVIJ-INIZCTEOSA-N 1 2 329.494 4.290 40 0 EIABLO CN(C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212627 563984474 /nfs/dbraw/zinc/98/44/74/563984474.db2.gz NLDGTIRVEZWDRN-GOSISDBHSA-N 1 2 339.439 4.011 40 0 EIABLO CCN(C)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212712 563984494 /nfs/dbraw/zinc/98/44/94/563984494.db2.gz PWAHZEUKGNUMSA-GOSISDBHSA-N 1 2 339.439 4.011 40 0 EIABLO CCN(C)c1[nH+]cccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072212771 563984523 /nfs/dbraw/zinc/98/45/23/563984523.db2.gz NCYUHQDISHBSII-SFHVURJKSA-N 1 2 339.439 4.011 40 0 EIABLO CCN(CC)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212864 563984540 /nfs/dbraw/zinc/98/45/40/563984540.db2.gz XKINFBBWQYTCNK-INIZCTEOSA-N 1 2 333.476 4.390 40 0 EIABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216040 563985512 /nfs/dbraw/zinc/98/55/12/563985512.db2.gz ISVTUFNGMVIKQN-INIZCTEOSA-N 1 2 331.460 4.144 40 0 EIABLO Cc1cc(N2CCc3ccccc3C2)[nH+]cc1C(=O)c1ccccc1 ZINC000072223888 563985890 /nfs/dbraw/zinc/98/58/90/563985890.db2.gz TYLKNKBNYUKFEQ-UHFFFAOYSA-N 1 2 328.415 4.184 40 0 EIABLO CCOc1ccccc1NC(=O)CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000000412082 563996989 /nfs/dbraw/zinc/99/69/89/563996989.db2.gz RPAHDXYMIQOXPT-UHFFFAOYSA-N 1 2 337.423 4.081 40 0 EIABLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000001370999 564003441 /nfs/dbraw/zinc/00/34/41/564003441.db2.gz AZGOCSUMCIHMMY-UHFFFAOYSA-N 1 2 334.423 4.214 40 0 EIABLO S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1cc[nH+]cc1 ZINC000223915151 564041145 /nfs/dbraw/zinc/04/11/45/564041145.db2.gz TUBSZOYWDZTAOU-UHFFFAOYSA-N 1 2 343.839 4.482 40 0 EIABLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1C ZINC000224825050 564043742 /nfs/dbraw/zinc/04/37/42/564043742.db2.gz LKDOBGZZFKEFAM-FQEVSTJZSA-N 1 2 333.435 4.121 40 0 EIABLO CC[N@H+](CCCNC(=O)c1ccc(C)cc1Cl)c1ccccc1 ZINC000225005729 564044347 /nfs/dbraw/zinc/04/43/47/564044347.db2.gz DZZDLTWAIRTSJH-UHFFFAOYSA-N 1 2 330.859 4.295 40 0 EIABLO CC[N@@H+](CCCNC(=O)c1ccc(C)cc1Cl)c1ccccc1 ZINC000225005729 564044348 /nfs/dbraw/zinc/04/43/48/564044348.db2.gz DZZDLTWAIRTSJH-UHFFFAOYSA-N 1 2 330.859 4.295 40 0 EIABLO Cc1cc(C)cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328977768 564071142 /nfs/dbraw/zinc/07/11/42/564071142.db2.gz FVJLZPJQWJUENT-UHFFFAOYSA-N 1 2 336.483 4.303 40 0 EIABLO CC(C)Nc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)[nH+]1 ZINC000329013539 564071504 /nfs/dbraw/zinc/07/15/04/564071504.db2.gz MQIRNYZVJLKNDA-UHFFFAOYSA-N 1 2 337.254 4.069 40 0 EIABLO CC(C)Nc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)[nH+]1 ZINC000329058476 564072003 /nfs/dbraw/zinc/07/20/03/564072003.db2.gz WDCDTHVKRAVDOM-UHFFFAOYSA-N 1 2 337.254 4.069 40 0 EIABLO CC(C)(C)C[N@@H+]1CCOC[C@H]1c1nc(-c2cccc(Cl)c2)c[nH]1 ZINC000096296207 564146577 /nfs/dbraw/zinc/14/65/77/564146577.db2.gz WWICIZFBEMBPEY-INIZCTEOSA-N 1 2 333.863 4.150 40 0 biogenic,in-vitro EIABLO CC(C)(C)C[N@H+]1CCOC[C@H]1c1nc(-c2cccc(Cl)c2)c[nH]1 ZINC000096296207 564146578 /nfs/dbraw/zinc/14/65/78/564146578.db2.gz WWICIZFBEMBPEY-INIZCTEOSA-N 1 2 333.863 4.150 40 0 biogenic,in-vitro EIABLO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2)n1 ZINC000072358231 216166554 /nfs/dbraw/zinc/16/65/54/216166554.db2.gz VXVRYRQMFKMGEI-NRFANRHFSA-N 1 2 346.478 4.226 40 0 EIABLO CCn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2)n1 ZINC000072358231 216166556 /nfs/dbraw/zinc/16/65/56/216166556.db2.gz VXVRYRQMFKMGEI-NRFANRHFSA-N 1 2 346.478 4.226 40 0 EIABLO Cc1cccc(C[N@@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000072397227 216192201 /nfs/dbraw/zinc/19/22/01/216192201.db2.gz NCTXEUSKBOXXBR-UHFFFAOYSA-N 1 2 337.398 4.424 40 0 EIABLO Cc1cccc(C[N@H+]2CCc3onc(Nc4cccc(F)c4)c3C2)c1 ZINC000072397227 216192204 /nfs/dbraw/zinc/19/22/04/216192204.db2.gz NCTXEUSKBOXXBR-UHFFFAOYSA-N 1 2 337.398 4.424 40 0 EIABLO CN1c2ccccc2[N@@H+](CC(=O)c2ccc(-c3ccccc3)cc2)C1=N ZINC000019855193 212076062 /nfs/dbraw/zinc/07/60/62/212076062.db2.gz LLKFOUBQMFACAT-UHFFFAOYSA-N 1 2 341.414 4.009 40 0 EIABLO CN1c2ccccc2[N@H+](CC(=O)c2ccc(-c3ccccc3)cc2)C1=N ZINC000019855193 212076066 /nfs/dbraw/zinc/07/60/66/212076066.db2.gz LLKFOUBQMFACAT-UHFFFAOYSA-N 1 2 341.414 4.009 40 0 EIABLO CCn1nc(C)c(-c2c[nH+]cn2CCCOc2cccc(C)c2)c1C ZINC000019719616 212057172 /nfs/dbraw/zinc/05/71/72/212057172.db2.gz BRZQEQHCZPTOFD-UHFFFAOYSA-N 1 2 338.455 4.161 40 0 EIABLO CCN1CCc2cc(-c3c[nH+]cn3C[C@H](C)n3nc(C)cc3C)ccc21 ZINC000019719389 212056848 /nfs/dbraw/zinc/05/68/48/212056848.db2.gz YPJJOVYZXYFPOA-KRWDZBQOSA-N 1 2 349.482 4.007 40 0 EIABLO COc1ccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)c(F)c1 ZINC000019551791 212041109 /nfs/dbraw/zinc/04/11/09/212041109.db2.gz MCACWKFKRPQDFE-INIZCTEOSA-N 1 2 348.468 4.426 40 0 EIABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccccc2F)on1 ZINC000019120960 212000984 /nfs/dbraw/zinc/00/09/84/212000984.db2.gz KCTYICKGFUPFSD-KRWDZBQOSA-N 1 2 340.402 4.239 40 0 EIABLO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@H+]2Cc2ccccc2F)on1 ZINC000019120960 212000986 /nfs/dbraw/zinc/00/09/86/212000986.db2.gz KCTYICKGFUPFSD-KRWDZBQOSA-N 1 2 340.402 4.239 40 0 EIABLO COc1ccc([NH2+]CCC(=O)c2cccs2)c(OC)c1Cl ZINC000000039214 563964129 /nfs/dbraw/zinc/96/41/29/563964129.db2.gz QVDBVFIKMUTUAA-UHFFFAOYSA-N 1 2 325.817 4.104 40 0 EIABLO CCCNc1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213189 563984525 /nfs/dbraw/zinc/98/45/25/563984525.db2.gz UTVOUZQALFYFNQ-SFHVURJKSA-N 1 2 339.439 4.377 40 0 EIABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000008367570 563997678 /nfs/dbraw/zinc/99/76/78/563997678.db2.gz NOLJJDXEMCDCQA-UHFFFAOYSA-N 1 2 348.368 4.277 40 0 EIABLO COc1ccc([C@H](CC(C)C)NC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225502002 564047327 /nfs/dbraw/zinc/04/73/27/564047327.db2.gz OYVLFMDHRPOBPU-KRWDZBQOSA-N 1 2 329.469 4.164 40 0 EIABLO Cc1ccc([C@@H](NC(=S)Nc2cc[nH+]cc2)c2ccccc2)cc1 ZINC000225512851 564047454 /nfs/dbraw/zinc/04/74/54/564047454.db2.gz SXMOBPVJCDEGLU-IBGZPJMESA-N 1 2 333.460 4.466 40 0 EIABLO Cc1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328967000 564071046 /nfs/dbraw/zinc/07/10/46/564071046.db2.gz CQKGESPZEOCFIA-UHFFFAOYSA-N 1 2 326.419 4.322 40 0 EIABLO CC[C@H](C)Nc1nc(NCc2ccccc2C)cc(-c2ccccc2)[nH+]1 ZINC000328978810 564071152 /nfs/dbraw/zinc/07/11/52/564071152.db2.gz GBSCFSMVUFDBNH-KRWDZBQOSA-N 1 2 346.478 4.118 40 0 EIABLO CNc1nc(Nc2ccc(C(C)C)c(C)c2)cc(-c2ccncc2)[nH+]1 ZINC000329003371 564071417 /nfs/dbraw/zinc/07/14/17/564071417.db2.gz KLXWWIWDRYJIGL-UHFFFAOYSA-N 1 2 333.439 4.178 40 0 EIABLO Cc1ccc2[nH+]c(-c3ccc4c(c3)CCN4C(=O)C(C)(C)C)cn2c1 ZINC000012088211 211288929 /nfs/dbraw/zinc/28/89/29/211288929.db2.gz YQVQMJJEFWAEGM-UHFFFAOYSA-N 1 2 333.435 4.245 40 0 EIABLO CN(C)c1[nH+]cccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212687 257690378 /nfs/dbraw/zinc/69/03/78/257690378.db2.gz RKJDAVUKQAKDJO-GOSISDBHSA-N 1 2 339.439 4.011 40 0 EIABLO CC(C)(C)Nc1nc(Nc2c(F)cc(F)cc2F)cc(C2CC2)[nH+]1 ZINC000329009699 257906226 /nfs/dbraw/zinc/90/62/26/257906226.db2.gz LXGNLZVQISUATC-UHFFFAOYSA-N 1 2 336.361 4.147 40 0 EIABLO CSc1ccc2cc3c(nc2c1)OCC[N@@H+](Cc1ccccc1)C3 ZINC000057718670 563935818 /nfs/dbraw/zinc/93/58/18/563935818.db2.gz HBKQYEHCAGSCHO-UHFFFAOYSA-N 1 2 336.460 4.351 40 0 EIABLO CSc1ccc2cc3c(nc2c1)OCC[N@H+](Cc1ccccc1)C3 ZINC000057718670 563935820 /nfs/dbraw/zinc/93/58/20/563935820.db2.gz HBKQYEHCAGSCHO-UHFFFAOYSA-N 1 2 336.460 4.351 40 0 EIABLO C[C@H]1CCCC[N@@H+]1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000090399057 563974882 /nfs/dbraw/zinc/97/48/82/563974882.db2.gz HBTWYTKLXFEOBB-PXNSSMCTSA-N 1 2 335.447 4.385 40 0 EIABLO C[C@H]1CCCC[N@H+]1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000090399057 563974883 /nfs/dbraw/zinc/97/48/83/563974883.db2.gz HBTWYTKLXFEOBB-PXNSSMCTSA-N 1 2 335.447 4.385 40 0 EIABLO CC(C)(C)OC(=O)N(c1ccc(C2=[NH+]CCC2)cn1)C1CCCC1 ZINC000072215543 563985291 /nfs/dbraw/zinc/98/52/91/563985291.db2.gz WADDMIBSSGUGMS-UHFFFAOYSA-N 1 2 329.444 4.349 40 0 EIABLO Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCCC1 ZINC000072218798 563985657 /nfs/dbraw/zinc/98/56/57/563985657.db2.gz DNEVHVHSCYLKCP-MRXNPFEDSA-N 1 2 331.460 4.062 40 0 EIABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1N(C)c1ccccc1 ZINC000072222299 563985824 /nfs/dbraw/zinc/98/58/24/563985824.db2.gz WRICLKPATSBKFA-UHFFFAOYSA-N 1 2 327.428 4.183 40 0 EIABLO c1csc(-c2[nH+]c3ccccn3c2NCc2ccc3c(c2)OCO3)c1 ZINC000000413665 563997230 /nfs/dbraw/zinc/99/72/30/563997230.db2.gz YXLIBZQGCJGUMP-UHFFFAOYSA-N 1 2 349.415 4.404 40 0 EIABLO Cc1ccc(Cl)cc1NC(=O)C[NH+]1Cc2cc(C)c(C)cc2C1 ZINC000409198467 564010983 /nfs/dbraw/zinc/01/09/83/564010983.db2.gz AXCVHFYBFUXPFS-UHFFFAOYSA-N 1 2 328.843 4.220 40 0 EIABLO CC(=O)c1cccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219856441 564035510 /nfs/dbraw/zinc/03/55/10/564035510.db2.gz HSARMPPIKQZWJK-UHFFFAOYSA-N 1 2 336.435 4.053 40 0 EIABLO CCOc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CC)n2)cc1 ZINC000328964907 564070975 /nfs/dbraw/zinc/07/09/75/564070975.db2.gz BYBQFYODBSYBGE-CYBMUJFWSA-N 1 2 326.444 4.129 40 0 EIABLO Cc1cc(C)c(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(C)c1 ZINC000328988226 564071318 /nfs/dbraw/zinc/07/13/18/564071318.db2.gz IFERCNDKAOMHRP-UHFFFAOYSA-N 1 2 336.483 4.221 40 0 EIABLO CNc1nc(Nc2cccc(Cl)c2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329044968 564071889 /nfs/dbraw/zinc/07/18/89/564071889.db2.gz SZJIDYFLNSYWBH-UHFFFAOYSA-N 1 2 345.233 4.080 40 0 EIABLO Nc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1 ZINC000033996907 564176417 /nfs/dbraw/zinc/17/64/17/564176417.db2.gz RCJCNSQHHMJLRL-UHFFFAOYSA-N 1 2 325.415 4.306 40 0 EIABLO CCc1cccc(CC)c1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038856256 213228807 /nfs/dbraw/zinc/22/88/07/213228807.db2.gz DVPXVKUEPZHWAS-UHFFFAOYSA-N 1 2 333.435 4.309 40 0 EIABLO CCCC(=O)Nc1c[nH+]c(C)n1-c1nc(-c2ccccc2)cs1 ZINC000035682936 213045767 /nfs/dbraw/zinc/04/57/67/213045767.db2.gz KPABGBMPBNYIMH-UHFFFAOYSA-N 1 2 326.425 4.043 40 0 EIABLO Cc1[nH+]c([C@H]2CCCCN2C(=O)c2cccs2)c2sccn12 ZINC000257241055 244245304 /nfs/dbraw/zinc/24/53/04/244245304.db2.gz HWKKBUVPDZTVHL-GFCCVEGCSA-N 1 2 331.466 4.133 40 0 EIABLO Cc1nn(C[C@H](C)c2cc(N3CCCCCC3)nc(C)[nH+]2)c(C)c1C ZINC000019717953 212057500 /nfs/dbraw/zinc/05/75/00/212057500.db2.gz LISOOSPEGUVZKY-AWEZNQCLSA-N 1 2 341.503 4.091 40 0 EIABLO Cc1c(C[N@@H+]2CCn3cccc3[C@@H]2C(C)C)cnn1Cc1ccccc1 ZINC000019554539 212040803 /nfs/dbraw/zinc/04/08/03/212040803.db2.gz GAECTOKSTGYTDA-QFIPXVFZSA-N 1 2 348.494 4.254 40 0 EIABLO Cc1c(C[N@H+]2CCn3cccc3[C@@H]2C(C)C)cnn1Cc1ccccc1 ZINC000019554539 212040805 /nfs/dbraw/zinc/04/08/05/212040805.db2.gz GAECTOKSTGYTDA-QFIPXVFZSA-N 1 2 348.494 4.254 40 0 EIABLO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c(F)c1 ZINC000019551797 212040387 /nfs/dbraw/zinc/04/03/87/212040387.db2.gz RESUQNKDKGIIPJ-MRXNPFEDSA-N 1 2 348.468 4.426 40 0 EIABLO CC(C)c1[nH+]ccn1[C@@H](C)c1cc(=O)n2[nH]cc(-c3ccccc3)c2n1 ZINC000019454343 212028863 /nfs/dbraw/zinc/02/88/63/212028863.db2.gz ZZRCXCMFENIQSG-AWEZNQCLSA-N 1 2 347.422 4.031 40 0 EIABLO CCNc1nc(Nc2ccc(Br)cc2C)cc(C2CC2)[nH+]1 ZINC000329010073 257905926 /nfs/dbraw/zinc/90/59/26/257905926.db2.gz LYSVWFGCWHZMSE-UHFFFAOYSA-N 1 2 347.260 4.022 40 0 EIABLO COc1ccccc1N(CC(=O)c1ccccc1)C1=[NH+]CCCCC1 ZINC000007276466 258012395 /nfs/dbraw/zinc/01/23/95/258012395.db2.gz QDCVJGMBWAAGJJ-UHFFFAOYSA-N 1 2 336.435 4.357 40 0 EIABLO O[C@H](COc1ccc(Cl)cc1)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000076556315 563968065 /nfs/dbraw/zinc/96/80/65/563968065.db2.gz IWHOXCGUBQPDIZ-HNNXBMFYSA-N 1 2 342.826 4.007 40 0 EIABLO CC(C)CN(C(=O)OC(C)(C)C)c1ccc(C2=[NH+]CCCC2)cn1 ZINC000072214569 563984835 /nfs/dbraw/zinc/98/48/35/563984835.db2.gz XPRKLTXVDSIIHT-UHFFFAOYSA-N 1 2 331.460 4.452 40 0 EIABLO Cc1cc([C@@H](O)c2ccccc2)c[nH+]c1N1CCc2ccccc2C1 ZINC000072222850 563985830 /nfs/dbraw/zinc/98/58/30/563985830.db2.gz JYQCHCRFVWCCMA-NRFANRHFSA-N 1 2 330.431 4.034 40 0 EIABLO Cc1[nH+]c(N2CCc3ccccc3C2)ccc1[C@@H](O)c1ccccc1 ZINC000072224936 563985850 /nfs/dbraw/zinc/98/58/50/563985850.db2.gz SXDABTYZAYPVCX-QFIPXVFZSA-N 1 2 330.431 4.034 40 0 EIABLO CCOc1ccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219849515 564035478 /nfs/dbraw/zinc/03/54/78/564035478.db2.gz KJQTUXNLCFSXCC-UHFFFAOYSA-N 1 2 338.451 4.249 40 0 EIABLO Cc1nc(Nc2ccccc2)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000328961070 564070927 /nfs/dbraw/zinc/07/09/27/564070927.db2.gz BBAYAEFWLDULAW-HNNXBMFYSA-N 1 2 330.435 4.480 40 0 EIABLO CC(C)Nc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000328965907 564071003 /nfs/dbraw/zinc/07/10/03/564071003.db2.gz CGBBRKLHRBJBOQ-UHFFFAOYSA-N 1 2 337.254 4.069 40 0 EIABLO Fc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000243022750 243025154 /nfs/dbraw/zinc/02/51/54/243025154.db2.gz HYIAOXXDOIBWNV-UHFFFAOYSA-N 1 2 334.398 4.469 40 0 EIABLO Fc1ccc(Cc2cnc([C@@H]3CCC[N@@H+]3Cc3cncs3)o2)cc1 ZINC000257277350 244397496 /nfs/dbraw/zinc/39/74/96/244397496.db2.gz NXPRPXKDPNGMRI-KRWDZBQOSA-N 1 2 343.427 4.198 40 0 EIABLO Fc1ccc(Cc2cnc([C@@H]3CCC[N@H+]3Cc3cncs3)o2)cc1 ZINC000257277350 244397508 /nfs/dbraw/zinc/39/75/08/244397508.db2.gz NXPRPXKDPNGMRI-KRWDZBQOSA-N 1 2 343.427 4.198 40 0 EIABLO Cc1nn(C[C@@H](C)c2cc(N3CCCCCC3)nc(C)[nH+]2)c(C)c1C ZINC000019717954 212056717 /nfs/dbraw/zinc/05/67/17/212056717.db2.gz LISOOSPEGUVZKY-CQSZACIVSA-N 1 2 341.503 4.091 40 0 EIABLO CC(C)(C)Nc1c(-c2cccnc2)[nH+]c2ccc(Br)cn21 ZINC000000904286 563365905 /nfs/dbraw/zinc/36/59/05/563365905.db2.gz VSHCVRCPSUZGBQ-UHFFFAOYSA-N 1 2 345.244 4.369 40 0 EIABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1c(Cl)cccc1Cl ZINC000013265214 563693091 /nfs/dbraw/zinc/69/30/91/563693091.db2.gz KBCZZGONNCEEMZ-DIFFPNOSSA-N 1 2 334.250 4.354 40 0 EIABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1c(Cl)cccc1Cl ZINC000013265214 563693094 /nfs/dbraw/zinc/69/30/94/563693094.db2.gz KBCZZGONNCEEMZ-DIFFPNOSSA-N 1 2 334.250 4.354 40 0 EIABLO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000044905913 563928157 /nfs/dbraw/zinc/92/81/57/563928157.db2.gz OZHMGJZKHIVNPL-QGZVFWFLSA-N 1 2 333.435 4.039 40 0 EIABLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C)cc1 ZINC000044935904 563928504 /nfs/dbraw/zinc/92/85/04/563928504.db2.gz LZZHYFKUJMPRAY-HXUWFJFHSA-N 1 2 333.435 4.121 40 0 EIABLO CCN(CC)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072212865 563984503 /nfs/dbraw/zinc/98/45/03/563984503.db2.gz XKINFBBWQYTCNK-MRXNPFEDSA-N 1 2 333.476 4.390 40 0 EIABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1NC1CC1 ZINC000072213713 563984603 /nfs/dbraw/zinc/98/46/03/563984603.db2.gz BGZQTTMGNMFITQ-GOSISDBHSA-N 1 2 337.423 4.130 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215959 563985473 /nfs/dbraw/zinc/98/54/73/563985473.db2.gz QWYFGDZDWQMCGB-IBGZPJMESA-N 1 2 335.451 4.049 40 0 EIABLO Nc1nc2ccccc2c(-c2cccc3ccccc32)c1C[NH+]1CC1 ZINC000005777427 564032979 /nfs/dbraw/zinc/03/29/79/564032979.db2.gz ZDTXUDHSHLCXRR-UHFFFAOYSA-N 1 2 325.415 4.453 40 0 EIABLO Fc1ccc(C2(CNC(=S)Nc3cc[nH+]cc3)CCCCC2)cc1 ZINC000224007251 564041394 /nfs/dbraw/zinc/04/13/94/564041394.db2.gz DRLODLIRFUPKMY-UHFFFAOYSA-N 1 2 343.471 4.409 40 0 EIABLO Cc1cc2[nH+]c(-c3cccc(I)c3)[nH]c2c(C)c1 ZINC000070462765 564063694 /nfs/dbraw/zinc/06/36/94/564063694.db2.gz URENGQSHRZIPSM-UHFFFAOYSA-N 1 2 348.187 4.451 40 0 EIABLO CC(C)(C)Nc1nc(NCc2cccs2)cc(-c2ccccc2)[nH+]1 ZINC000328967287 564071048 /nfs/dbraw/zinc/07/10/48/564071048.db2.gz CTDOPCHQBQUAIB-UHFFFAOYSA-N 1 2 338.480 4.450 40 0 EIABLO Cc1cc(C)cc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)c1 ZINC000329000115 564071435 /nfs/dbraw/zinc/07/14/35/564071435.db2.gz JZSHGUJIRRIFLD-UHFFFAOYSA-N 1 2 332.451 4.168 40 0 EIABLO CCNc1nc(Nc2c(C)cccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329013625 564071536 /nfs/dbraw/zinc/07/15/36/564071536.db2.gz MRSWCOHQSYHSSS-UHFFFAOYSA-N 1 2 338.842 4.125 40 0 EIABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(Cl)c1 ZINC000329048432 564071925 /nfs/dbraw/zinc/07/19/25/564071925.db2.gz UKEASCIOTWFGAK-UHFFFAOYSA-N 1 2 342.874 4.258 40 0 EIABLO CC(C)(CO)CCCn1c[nH+]cc1-c1cnn(C2CCCCC2)c1 ZINC000019719961 212057285 /nfs/dbraw/zinc/05/72/85/212057285.db2.gz CWEHJVXVMBSBFY-UHFFFAOYSA-N 1 2 330.476 4.051 40 0 EIABLO C[N@H+](Cc1[nH]nc2c1CCCC2)Cc1ccccc1OC1CCCC1 ZINC000012147152 211305960 /nfs/dbraw/zinc/30/59/60/211305960.db2.gz HOXDLUZMBMYAPR-UHFFFAOYSA-N 1 2 339.483 4.242 40 0 EIABLO C[N@@H+](Cc1[nH]nc2c1CCCC2)Cc1ccccc1OC1CCCC1 ZINC000012147152 211305964 /nfs/dbraw/zinc/30/59/64/211305964.db2.gz HOXDLUZMBMYAPR-UHFFFAOYSA-N 1 2 339.483 4.242 40 0 EIABLO CCc1[nH+]cc([C@H](O)c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000005502421 563535760 /nfs/dbraw/zinc/53/57/60/563535760.db2.gz SHRCSHVAIBZNBJ-LJQANCHMSA-N 1 2 326.827 4.229 40 0 EIABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216109 563985478 /nfs/dbraw/zinc/98/54/78/563985478.db2.gz PRTWJHLZYVWDHN-LJQANCHMSA-N 1 2 335.451 4.049 40 0 EIABLO Cc1cc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCCC1 ZINC000072218829 563985645 /nfs/dbraw/zinc/98/56/45/563985645.db2.gz FUMSEGFGNBNFLX-QGZVFWFLSA-N 1 2 345.487 4.452 40 0 EIABLO Cc1cc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCCCC1 ZINC000072219158 563985715 /nfs/dbraw/zinc/98/57/15/563985715.db2.gz DNQPAQOVNAKFFV-QGZVFWFLSA-N 1 2 345.487 4.452 40 0 EIABLO Cc1cc([C@H](O)c2ccccc2)c[nH+]c1N1CCc2ccccc2C1 ZINC000072222849 563985820 /nfs/dbraw/zinc/98/58/20/563985820.db2.gz JYQCHCRFVWCCMA-OAQYLSRUSA-N 1 2 330.431 4.034 40 0 EIABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccc3ccccc3c1)C2 ZINC000008367563 563997641 /nfs/dbraw/zinc/99/76/41/563997641.db2.gz HHNIBZYDGXNSFO-UHFFFAOYSA-N 1 2 330.431 4.411 40 0 EIABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000008367583 563997845 /nfs/dbraw/zinc/99/78/45/563997845.db2.gz VCVZDWHRBCEESI-UHFFFAOYSA-N 1 2 348.368 4.277 40 0 EIABLO CCCn1ncc(C[N@H+](Cc2cccs2)Cc2cccnc2)c1C ZINC000013569754 564020216 /nfs/dbraw/zinc/02/02/16/564020216.db2.gz FFTWHGRGXIDONB-UHFFFAOYSA-N 1 2 340.496 4.260 40 0 EIABLO CCCn1ncc(C[N@@H+](Cc2cccs2)Cc2cccnc2)c1C ZINC000013569754 564020217 /nfs/dbraw/zinc/02/02/17/564020217.db2.gz FFTWHGRGXIDONB-UHFFFAOYSA-N 1 2 340.496 4.260 40 0 EIABLO Clc1ccccc1-n1ncc2c1nc[nH+]c2NCc1cccs1 ZINC000071195154 564063713 /nfs/dbraw/zinc/06/37/13/564063713.db2.gz ZDOBGFKCUHGZEV-UHFFFAOYSA-N 1 2 341.827 4.143 40 0 EIABLO CSc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000328961918 564070982 /nfs/dbraw/zinc/07/09/82/564070982.db2.gz BETPCKNXLNFUPH-UHFFFAOYSA-N 1 2 348.475 4.027 40 0 EIABLO CCNc1nc(Nc2c(C)cccc2CC)cc(-c2ccccc2)[nH+]1 ZINC000329031798 564071773 /nfs/dbraw/zinc/07/17/73/564071773.db2.gz QLNPPSQMFXUWRW-UHFFFAOYSA-N 1 2 332.451 4.034 40 0 EIABLO CC[C@@H](C)Nc1nc(Nc2ccc(C)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329051910 564071911 /nfs/dbraw/zinc/07/19/11/564071911.db2.gz UZABRKKVWNUJPG-GFCCVEGCSA-N 1 2 330.863 4.114 40 0 EIABLO Cc1ccc(CN(CCCn2cc[nH+]c2)Cc2c(F)cccc2F)o1 ZINC000036740257 213115056 /nfs/dbraw/zinc/11/50/56/213115056.db2.gz LBGADRCVVPRMNQ-UHFFFAOYSA-N 1 2 345.393 4.155 40 0 EIABLO S=C(Nc1cc[nH+]cc1)NC1(c2ccccc2Cl)CCCC1 ZINC000225874351 242068006 /nfs/dbraw/zinc/06/80/06/242068006.db2.gz QXWPHVHKRICYEB-UHFFFAOYSA-N 1 2 331.872 4.491 40 0 EIABLO CCn1c2ccc(NC(=O)CC[C@H]3CCCO3)cc2[nH+]c1C(C)C ZINC000019524247 212037922 /nfs/dbraw/zinc/03/79/22/212037922.db2.gz DCNLJEOSKHTLPD-OAHLLOKOSA-N 1 2 329.444 4.077 40 0 EIABLO c1ccc(CN2CCC[N@H+](Cc3ccccc3)C2c2ccncc2)cc1 ZINC000019320333 212015130 /nfs/dbraw/zinc/01/51/30/212015130.db2.gz WRTZUCFDSMDEGF-UHFFFAOYSA-N 1 2 343.474 4.488 40 0 EIABLO c1ccc(CN2CCC[N@@H+](Cc3ccccc3)C2c2ccncc2)cc1 ZINC000019320333 212015132 /nfs/dbraw/zinc/01/51/32/212015132.db2.gz WRTZUCFDSMDEGF-UHFFFAOYSA-N 1 2 343.474 4.488 40 0 EIABLO CC(C)[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000012143779 211304559 /nfs/dbraw/zinc/30/45/59/211304559.db2.gz HHMZKQQYCKIRNY-GOSISDBHSA-N 1 2 339.464 4.120 40 0 EIABLO O=C(OCc1ccccc1)N1CCC[C@@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213773 563984610 /nfs/dbraw/zinc/98/46/10/563984610.db2.gz JORONXIFOFHBDU-GOSISDBHSA-N 1 2 337.423 4.130 40 0 EIABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216049 563985540 /nfs/dbraw/zinc/98/55/40/563985540.db2.gz REBOWGNXDPROHR-LJQANCHMSA-N 1 2 335.451 4.049 40 0 EIABLO CCOC(=O)c1ccc(Nc2cc(C)[nH+]c3c(OC)cccc23)cc1 ZINC000000303385 563996763 /nfs/dbraw/zinc/99/67/63/563996763.db2.gz DVBOOHJRRRXHMZ-UHFFFAOYSA-N 1 2 336.391 4.472 40 0 EIABLO Cc1ccc([NH+]2CCC(C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000219859915 564035558 /nfs/dbraw/zinc/03/55/58/564035558.db2.gz CIHHMMMXUKSQNP-UHFFFAOYSA-N 1 2 334.463 4.191 40 0 EIABLO Clc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328975457 564071136 /nfs/dbraw/zinc/07/11/36/564071136.db2.gz FKSMVSQRHLRZSX-UHFFFAOYSA-N 1 2 342.874 4.339 40 0 EIABLO Cc1cccc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000328988428 564071303 /nfs/dbraw/zinc/07/13/03/564071303.db2.gz IGVBSULGJKGTJA-UHFFFAOYSA-N 1 2 332.451 4.168 40 0 EIABLO CC[C@@H](C)Nc1nc(NCc2cccc(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000328995081 564071348 /nfs/dbraw/zinc/07/13/48/564071348.db2.gz JFUSXKOGJYXRDF-QGZVFWFLSA-N 1 2 346.478 4.118 40 0 EIABLO CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000328993748 564071361 /nfs/dbraw/zinc/07/13/61/564071361.db2.gz JAYYRZFIOGGQIP-UHFFFAOYSA-N 1 2 336.361 4.359 40 0 EIABLO Cc1ccc(C)c(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329022143 564071589 /nfs/dbraw/zinc/07/15/89/564071589.db2.gz OLBAIKJYZGBJHP-UHFFFAOYSA-N 1 2 336.483 4.303 40 0 EIABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@@H+]1Cc1ccccc1 ZINC000072337357 216157820 /nfs/dbraw/zinc/15/78/20/216157820.db2.gz BTKMMJHOCAAXKY-AEFFLSMTSA-N 1 2 346.478 4.289 40 0 EIABLO CC(C)(C)c1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3[N@H+]1Cc1ccccc1 ZINC000072337357 216157822 /nfs/dbraw/zinc/15/78/22/216157822.db2.gz BTKMMJHOCAAXKY-AEFFLSMTSA-N 1 2 346.478 4.289 40 0 EIABLO c1csc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)n1 ZINC000072377363 216178991 /nfs/dbraw/zinc/17/89/91/216178991.db2.gz VLYGXCVGADCECR-INIZCTEOSA-N 1 2 337.452 4.014 40 0 EIABLO c1csc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)n1 ZINC000072377363 216178994 /nfs/dbraw/zinc/17/89/94/216178994.db2.gz VLYGXCVGADCECR-INIZCTEOSA-N 1 2 337.452 4.014 40 0 EIABLO c1csc(Nc2nccc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)n1 ZINC000072377362 216179133 /nfs/dbraw/zinc/17/91/33/216179133.db2.gz VLYGXCVGADCECR-MRXNPFEDSA-N 1 2 337.452 4.014 40 0 EIABLO c1csc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)n1 ZINC000072377362 216179137 /nfs/dbraw/zinc/17/91/37/216179137.db2.gz VLYGXCVGADCECR-MRXNPFEDSA-N 1 2 337.452 4.014 40 0 EIABLO CCn1c[nH+]cc1CN(Cc1ccccn1)Cc1ccccc1Cl ZINC000019578557 212046992 /nfs/dbraw/zinc/04/69/92/212046992.db2.gz ACQXSEDCINXQFU-UHFFFAOYSA-N 1 2 340.858 4.154 40 0 EIABLO CCCc1cc([C@H]2CCCCC[N@@H+]2Cc2cnn(CC)c2C)no1 ZINC000019525424 212037742 /nfs/dbraw/zinc/03/77/42/212037742.db2.gz XUTRYRAYLANSDR-LJQANCHMSA-N 1 2 330.476 4.269 40 0 EIABLO CCCc1cc([C@H]2CCCCC[N@H+]2Cc2cnn(CC)c2C)no1 ZINC000019525424 212037744 /nfs/dbraw/zinc/03/77/44/212037744.db2.gz XUTRYRAYLANSDR-LJQANCHMSA-N 1 2 330.476 4.269 40 0 EIABLO O=C1C[N@H+]2CC[C@H]1C/C2=C\c1ccnc2c(Cl)cc(Cl)cc12 ZINC000016951268 563826587 /nfs/dbraw/zinc/82/65/87/563826587.db2.gz NBRSVMAOMQHCGU-CBJCJLNRSA-N 1 2 333.218 4.177 40 0 EIABLO O=C1C[N@@H+]2CC[C@H]1C/C2=C\c1ccnc2c(Cl)cc(Cl)cc12 ZINC000016951268 563826591 /nfs/dbraw/zinc/82/65/91/563826591.db2.gz NBRSVMAOMQHCGU-CBJCJLNRSA-N 1 2 333.218 4.177 40 0 EIABLO CC(C)C[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000044936997 563928545 /nfs/dbraw/zinc/92/85/45/563928545.db2.gz UKNJCFAJIBXNDY-OAQYLSRUSA-N 1 2 347.462 4.449 40 0 EIABLO C[C@@H]1CCCC[N@@H+]1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000090399047 563974896 /nfs/dbraw/zinc/97/48/96/563974896.db2.gz HBTWYTKLXFEOBB-XLIONFOSSA-N 1 2 335.447 4.385 40 0 EIABLO C[C@@H]1CCCC[N@H+]1[C@@H](CC(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000090399047 563974897 /nfs/dbraw/zinc/97/48/97/563974897.db2.gz HBTWYTKLXFEOBB-XLIONFOSSA-N 1 2 335.447 4.385 40 0 EIABLO CC(C)(C)OC(=O)N(c1ncccc1C1=[NH+]CCC1)C1CCCC1 ZINC000072215603 563985361 /nfs/dbraw/zinc/98/53/61/563985361.db2.gz HMLSOBRCDQREOW-UHFFFAOYSA-N 1 2 329.444 4.349 40 0 EIABLO CCc1[nH+]c2ccccc2n1C[C@@H](O)COc1cccc2ccccc21 ZINC000003077607 564004151 /nfs/dbraw/zinc/00/41/51/564004151.db2.gz LSNDYZVZGXDZCK-QGZVFWFLSA-N 1 2 346.430 4.192 40 0 EIABLO CCOc1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219849440 564035504 /nfs/dbraw/zinc/03/55/04/564035504.db2.gz CVKJGPNDLWRQJY-UHFFFAOYSA-N 1 2 338.451 4.249 40 0 EIABLO CNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328968910 564071065 /nfs/dbraw/zinc/07/10/65/564071065.db2.gz DBGDZAMWZHDFOD-UHFFFAOYSA-N 1 2 333.439 4.043 40 0 EIABLO CC(C)(C)Nc1nc(Nc2c(F)ccc(F)c2F)cc(C2CC2)[nH+]1 ZINC000329007158 564071461 /nfs/dbraw/zinc/07/14/61/564071461.db2.gz LHFNNQIAVAQLLU-UHFFFAOYSA-N 1 2 336.361 4.147 40 0 EIABLO CC[C@H](C)Nc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329007567 564071473 /nfs/dbraw/zinc/07/14/73/564071473.db2.gz LKRQPUHFDHCOGC-AWEZNQCLSA-N 1 2 334.423 4.225 40 0 EIABLO Clc1ccc(-c2nc(-c3ccncc3)ncc2-c2[nH]cc[nH+]2)cc1 ZINC000019336464 212018610 /nfs/dbraw/zinc/01/86/10/212018610.db2.gz UXAYDLAOXJPODP-UHFFFAOYSA-N 1 2 333.782 4.249 40 0 EIABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccccc2F)on1 ZINC000019120963 212000917 /nfs/dbraw/zinc/00/09/17/212000917.db2.gz KCTYICKGFUPFSD-QGZVFWFLSA-N 1 2 340.402 4.239 40 0 EIABLO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@H+]2Cc2ccccc2F)on1 ZINC000019120963 212000920 /nfs/dbraw/zinc/00/09/20/212000920.db2.gz KCTYICKGFUPFSD-QGZVFWFLSA-N 1 2 340.402 4.239 40 0 EIABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccccc1C(F)(F)F ZINC000013265256 563693109 /nfs/dbraw/zinc/69/31/09/563693109.db2.gz URVSBLFEMKBFOG-SUMWQHHRSA-N 1 2 333.357 4.066 40 0 EIABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000013265256 563693113 /nfs/dbraw/zinc/69/31/13/563693113.db2.gz URVSBLFEMKBFOG-SUMWQHHRSA-N 1 2 333.357 4.066 40 0 EIABLO CCc1[nH+]cc([C@](C)(O)c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000013281778 563693856 /nfs/dbraw/zinc/69/38/56/563693856.db2.gz ZGLZHMPMIUHKKJ-HXUWFJFHSA-N 1 2 340.854 4.403 40 0 EIABLO CCN(CC)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072212873 563984536 /nfs/dbraw/zinc/98/45/36/563984536.db2.gz NPYHWLHEUJCUNF-LJQANCHMSA-N 1 2 337.467 4.295 40 0 EIABLO O=C(OCc1ccccc1)N1CCC[C@H]1c1ccc(NC2CC2)[nH+]c1 ZINC000072213774 563984620 /nfs/dbraw/zinc/98/46/20/563984620.db2.gz JORONXIFOFHBDU-SFHVURJKSA-N 1 2 337.423 4.130 40 0 EIABLO Cc1ccc([NH+]2CCC(C(=O)NC3CCCCCCC3)CC2)cc1 ZINC000219859318 564035523 /nfs/dbraw/zinc/03/55/23/564035523.db2.gz WVQAKRBBWYLSLN-UHFFFAOYSA-N 1 2 328.500 4.441 40 0 EIABLO CC1(C)CN(c2cc(NCc3ccccc3)[nH+]cn2)Cc2ccccc21 ZINC000328965957 564071010 /nfs/dbraw/zinc/07/10/10/564071010.db2.gz CHIVGOOKRDFFBL-UHFFFAOYSA-N 1 2 344.462 4.387 40 0 EIABLO CC1(C)CN(c2cc(NCc3ccccc3)nc[nH+]2)Cc2ccccc21 ZINC000328965957 564071011 /nfs/dbraw/zinc/07/10/11/564071011.db2.gz CHIVGOOKRDFFBL-UHFFFAOYSA-N 1 2 344.462 4.387 40 0 EIABLO Cc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1C ZINC000329002747 564071429 /nfs/dbraw/zinc/07/14/29/564071429.db2.gz KIDYISOIJVXIBG-UHFFFAOYSA-N 1 2 336.483 4.303 40 0 EIABLO COC(=O)c1cccc(Nc2cc[nH+]c3cc(Cl)c(OC)cc23)c1 ZINC000064874610 564134114 /nfs/dbraw/zinc/13/41/14/564134114.db2.gz CDQQJYIOYRTYCJ-UHFFFAOYSA-N 1 2 342.782 4.427 40 0 EIABLO CCOc1ccc(-c2nc(Nc3cc(C)cc(C)c3)cc(N)[nH+]2)cc1 ZINC000049468034 214010486 /nfs/dbraw/zinc/01/04/86/214010486.db2.gz RLBBXEBUUKZJGC-UHFFFAOYSA-N 1 2 334.423 4.485 40 0 EIABLO CCOc1ccc(-c2nc(N)cc(Nc3cc(C)cc(C)c3)[nH+]2)cc1 ZINC000049468034 214010490 /nfs/dbraw/zinc/01/04/90/214010490.db2.gz RLBBXEBUUKZJGC-UHFFFAOYSA-N 1 2 334.423 4.485 40 0 EIABLO CC(C)(C)C[N@@H+]1CCOC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000067898551 215246138 /nfs/dbraw/zinc/24/61/38/215246138.db2.gz PHUUGYURECZFCE-INIZCTEOSA-N 1 2 333.863 4.150 40 0 biogenic,in-vitro EIABLO CC(C)(C)C[N@H+]1CCOC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000067898551 215246140 /nfs/dbraw/zinc/24/61/40/215246140.db2.gz PHUUGYURECZFCE-INIZCTEOSA-N 1 2 333.863 4.150 40 0 biogenic,in-vitro EIABLO CCOC(=O)c1c[nH+]c2ccc(C(F)(F)F)cc2c1N(CC)CC ZINC000040175518 213279702 /nfs/dbraw/zinc/27/97/02/213279702.db2.gz GGIVZZRLRSAEAP-UHFFFAOYSA-N 1 2 340.345 4.277 40 0 EIABLO CC1CC[NH+](Cc2csc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)n2)CC1 ZINC000022291577 212288802 /nfs/dbraw/zinc/28/88/02/212288802.db2.gz GWTBKBBXVPMIIU-ARFHVFGLSA-N 1 2 347.528 4.140 40 0 EIABLO COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000243941148 243035957 /nfs/dbraw/zinc/03/59/57/243035957.db2.gz RWIKGFNWSQIKKZ-UHFFFAOYSA-N 1 2 346.434 4.339 40 0 EIABLO CCn1nc(C)c(-c2c[nH+]cn2CCCOc2ccccc2C)c1C ZINC000019719630 212057664 /nfs/dbraw/zinc/05/76/64/212057664.db2.gz PLXBGFZSUNRJFG-UHFFFAOYSA-N 1 2 338.455 4.161 40 0 EIABLO Cc1[nH+]c(N(C)c2ccccc2)ccc1CNC(=O)OC(C)(C)C ZINC000072224380 257686630 /nfs/dbraw/zinc/68/66/30/257686630.db2.gz PNAIVUMVAQVDIE-UHFFFAOYSA-N 1 2 327.428 4.183 40 0 EIABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)ccc1F ZINC000328984079 257908576 /nfs/dbraw/zinc/90/85/76/257908576.db2.gz HKLUKSRQYUHSSF-UHFFFAOYSA-N 1 2 334.398 4.331 40 0 EIABLO CC1CC[NH+]([C@@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)CC1 ZINC000001555483 563391768 /nfs/dbraw/zinc/39/17/68/563391768.db2.gz NPQYEFLERKBEHZ-FQEVSTJZSA-N 1 2 335.447 4.243 40 0 EIABLO c1ccc(Cc2c[nH+]c(N3CCCCC3)nc2N2CCCCC2)cc1 ZINC000001676313 563402040 /nfs/dbraw/zinc/40/20/40/563402040.db2.gz JQWGHMCKIKFATG-UHFFFAOYSA-N 1 2 336.483 4.048 40 0 EIABLO Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000044856412 563927187 /nfs/dbraw/zinc/92/71/87/563927187.db2.gz MPVNQXMXFHLJMZ-KRWDZBQOSA-N 1 2 333.435 4.039 40 0 EIABLO Cc1cc(C)cc(OC[C@H](O)Cn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000082086937 563972006 /nfs/dbraw/zinc/97/20/06/563972006.db2.gz DCFBUONHNVOWJD-QGZVFWFLSA-N 1 2 338.451 4.216 40 0 EIABLO CC(C)(C)OC(=O)N(c1ncccc1C1=[NH+]CCCC1)C1CCC1 ZINC000072215513 563985253 /nfs/dbraw/zinc/98/52/53/563985253.db2.gz QZIAREAEOZGSEN-UHFFFAOYSA-N 1 2 329.444 4.349 40 0 EIABLO Cc1[nH+]c(N2CCc3ccccc3C2)ccc1[C@H](O)c1ccccc1 ZINC000072224935 563985843 /nfs/dbraw/zinc/98/58/43/563985843.db2.gz SXDABTYZAYPVCX-JOCHJYFZSA-N 1 2 330.431 4.034 40 0 EIABLO Cc1ccc([C@H](NC(=S)Nc2cc[nH+]cc2)c2ccccc2)cc1 ZINC000225512886 564047440 /nfs/dbraw/zinc/04/74/40/564047440.db2.gz SXMOBPVJCDEGLU-LJQANCHMSA-N 1 2 333.460 4.466 40 0 EIABLO Cc1cccc([C@H](NC(=S)Nc2cc[nH+]cc2)c2ccccc2)c1 ZINC000225701768 564049517 /nfs/dbraw/zinc/04/95/17/564049517.db2.gz SARBNAFCRBAISZ-LJQANCHMSA-N 1 2 333.460 4.466 40 0 EIABLO CSc1ccccc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328956983 564070887 /nfs/dbraw/zinc/07/08/87/564070887.db2.gz AHWSIMMPSTTYKG-UHFFFAOYSA-N 1 2 340.496 4.018 40 0 EIABLO Oc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000328965265 564071050 /nfs/dbraw/zinc/07/10/50/564071050.db2.gz CCCMALVDZGHRET-UHFFFAOYSA-N 1 2 346.434 4.369 40 0 EIABLO Cc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000329039171 564071782 /nfs/dbraw/zinc/07/17/82/564071782.db2.gz RWWMWAXFSAKOLK-UHFFFAOYSA-N 1 2 347.466 4.091 40 0 EIABLO O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038835570 213228420 /nfs/dbraw/zinc/22/84/20/213228420.db2.gz PAJBUFUORGVWFC-UHFFFAOYSA-N 1 2 346.217 4.491 40 0 EIABLO Cc1ccc(Cl)cc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038849591 213227628 /nfs/dbraw/zinc/22/76/28/213227628.db2.gz ACCNFICNKCQSKU-UHFFFAOYSA-N 1 2 325.799 4.146 40 0 EIABLO Nc1ccc2[nH]c(-c3ccc(NC(=O)c4ccccc4)cc3)[nH+]c2c1 ZINC000035048565 213004763 /nfs/dbraw/zinc/00/47/63/213004763.db2.gz YZAJYGCOUNWNGD-UHFFFAOYSA-N 1 2 328.375 4.064 40 0 EIABLO Fc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000242804528 243022020 /nfs/dbraw/zinc/02/20/20/243022020.db2.gz FFURRFUBIKPVFY-UHFFFAOYSA-N 1 2 334.398 4.469 40 0 EIABLO COc1ccccc1N(CC(=O)c1cccs1)C1=[NH+]CCCC1 ZINC000007276468 258052628 /nfs/dbraw/zinc/05/26/28/258052628.db2.gz ZJBVFUJKQQJYET-UHFFFAOYSA-N 1 2 328.437 4.028 40 0 EIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000044886238 563927512 /nfs/dbraw/zinc/92/75/12/563927512.db2.gz RTZRJCYDFVGWRK-UHFFFAOYSA-N 1 2 346.217 4.109 40 0 EIABLO Cc1ccc([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000044935051 563928406 /nfs/dbraw/zinc/92/84/06/563928406.db2.gz BFOGAHFOIZGTIJ-QGZVFWFLSA-N 1 2 333.435 4.039 40 0 EIABLO Cc1cc([C@@H]2CCCN2C(=O)c2ccccc2)c[nH+]c1N1CCCCC1 ZINC000072219167 563985701 /nfs/dbraw/zinc/98/57/01/563985701.db2.gz AGLHNODEVIFACJ-FQEVSTJZSA-N 1 2 349.478 4.358 40 0 EIABLO COCCCOc1cc[nH+]c(CSC2Nc3ccccc3N2)c1C ZINC000407947268 564004062 /nfs/dbraw/zinc/00/40/62/564004062.db2.gz YGBHLPNMMOJFRE-UHFFFAOYSA-N 1 2 344.460 4.023 40 0 EIABLO CCc1ccc(C[N@@H+](Cc2cnn(CC)c2C)Cc2cccnc2)cc1 ZINC000013569103 564020166 /nfs/dbraw/zinc/02/01/66/564020166.db2.gz FKPRROWBCQTXLZ-UHFFFAOYSA-N 1 2 348.494 4.371 40 0 EIABLO CCc1ccc(C[N@H+](Cc2cnn(CC)c2C)Cc2cccnc2)cc1 ZINC000013569103 564020167 /nfs/dbraw/zinc/02/01/67/564020167.db2.gz FKPRROWBCQTXLZ-UHFFFAOYSA-N 1 2 348.494 4.371 40 0 EIABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000219863439 564035546 /nfs/dbraw/zinc/03/55/46/564035546.db2.gz VDABACYOGPAQHZ-INIZCTEOSA-N 1 2 340.442 4.228 40 0 EIABLO COc1ccc(Cc2cnc([C@@H]3CCC[N@@H+]3Cc3cccnc3)o2)cc1 ZINC000257317272 564055351 /nfs/dbraw/zinc/05/53/51/564055351.db2.gz VJBZGGAQKLZDOG-FQEVSTJZSA-N 1 2 349.434 4.006 40 0 EIABLO COc1ccc(Cc2cnc([C@@H]3CCC[N@H+]3Cc3cccnc3)o2)cc1 ZINC000257317272 564055352 /nfs/dbraw/zinc/05/53/52/564055352.db2.gz VJBZGGAQKLZDOG-FQEVSTJZSA-N 1 2 349.434 4.006 40 0 EIABLO CNc1nc(Nc2c(C)ccc(Cl)c2C)cc(-c2ccccc2)[nH+]1 ZINC000328963843 564070955 /nfs/dbraw/zinc/07/09/55/564070955.db2.gz BRXSPRHAGHEXOZ-UHFFFAOYSA-N 1 2 338.842 4.043 40 0 EIABLO Cc1cccc(CNc2cc(-c3ccncc3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000328980357 564071220 /nfs/dbraw/zinc/07/12/20/564071220.db2.gz GLKVZJUZINTZFL-UHFFFAOYSA-N 1 2 347.466 4.091 40 0 EIABLO COc1ccc2c(c1)CCN(c1cc(C)[nH+]c(Nc3ccccc3)n1)C2 ZINC000329007697 564071476 /nfs/dbraw/zinc/07/14/76/564071476.db2.gz LNCCHQJZUJDZBY-UHFFFAOYSA-N 1 2 346.434 4.100 40 0 EIABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329039609 564071792 /nfs/dbraw/zinc/07/17/92/564071792.db2.gz RXVCCOBULZFHBL-MRXNPFEDSA-N 1 2 346.862 4.180 40 0 EIABLO CC(C)(C)Nc1nc(Nc2ccc(O)cc2Cl)cc(C2CC2)[nH+]1 ZINC000329070868 564072153 /nfs/dbraw/zinc/07/21/53/564072153.db2.gz ZKKDKBBFAJWVRC-UHFFFAOYSA-N 1 2 332.835 4.089 40 0 EIABLO CC(C)(C)c1ccc(-c2nnc([C@H]([NH3+])c3ccc(Cl)cc3)[nH]2)cc1 ZINC000095534024 564141694 /nfs/dbraw/zinc/14/16/94/564141694.db2.gz QTILLFKUDOOBBW-MRXNPFEDSA-N 1 2 340.858 4.471 40 0 EIABLO CC(C)(C)c1ccc(-c2n[nH]c([C@H]([NH3+])c3ccc(Cl)cc3)n2)cc1 ZINC000095534024 564141695 /nfs/dbraw/zinc/14/16/95/564141695.db2.gz QTILLFKUDOOBBW-MRXNPFEDSA-N 1 2 340.858 4.471 40 0 EIABLO Cc1nn(C(C)C)c(C)c1C[N@H+](Cc1ccco1)Cc1ccccn1 ZINC000056701212 214385093 /nfs/dbraw/zinc/38/50/93/214385093.db2.gz OJYRFRLKLWRNKP-UHFFFAOYSA-N 1 2 338.455 4.271 40 0 EIABLO Cc1nn(C(C)C)c(C)c1C[N@@H+](Cc1ccco1)Cc1ccccn1 ZINC000056701212 214385095 /nfs/dbraw/zinc/38/50/95/214385095.db2.gz OJYRFRLKLWRNKP-UHFFFAOYSA-N 1 2 338.455 4.271 40 0 EIABLO O=C(OCc1ccc(F)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072202917 216069783 /nfs/dbraw/zinc/06/97/83/216069783.db2.gz JMGVFNXQOUTDBU-IBGZPJMESA-N 1 2 345.389 4.063 40 0 EIABLO O=C(OCc1ccc(F)cc1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000072202917 216069786 /nfs/dbraw/zinc/06/97/86/216069786.db2.gz JMGVFNXQOUTDBU-IBGZPJMESA-N 1 2 345.389 4.063 40 0 EIABLO COc1ccc(Nc2cc(Nc3ccc(OC)cc3)[nH+]c(C)n2)cc1 ZINC000000315249 209531180 /nfs/dbraw/zinc/53/11/80/209531180.db2.gz NLXUUTWBTJESRO-UHFFFAOYSA-N 1 2 336.395 4.289 40 0 EIABLO c1csc(Nc2nccc([C@H]3CCC[N@H+]3CC3CCCCC3)n2)n1 ZINC000072377851 216178844 /nfs/dbraw/zinc/17/88/44/216178844.db2.gz RPYFNXFINGRWGX-MRXNPFEDSA-N 1 2 343.500 4.394 40 0 EIABLO c1csc(Nc2nccc([C@H]3CCC[N@@H+]3CC3CCCCC3)n2)n1 ZINC000072377851 216178848 /nfs/dbraw/zinc/17/88/48/216178848.db2.gz RPYFNXFINGRWGX-MRXNPFEDSA-N 1 2 343.500 4.394 40 0 EIABLO Cc1cccc(C(=O)Nc2cc([NH+]3CCC(C)CC3)c(C)cc2N)c1 ZINC000216867113 241218062 /nfs/dbraw/zinc/21/80/62/241218062.db2.gz LXNVNUNRGPSDSP-UHFFFAOYSA-N 1 2 337.467 4.374 40 0 EIABLO CCOc1ccc(C2(NC(=S)Nc3cc[nH+]cc3)CCCC2)cc1 ZINC000225874395 242067014 /nfs/dbraw/zinc/06/70/14/242067014.db2.gz FAXKEJMYGMJTSQ-UHFFFAOYSA-N 1 2 341.480 4.236 40 0 EIABLO S=C(Nc1cc[nH+]cc1)NC1(CCc2ccccc2)CCCC1 ZINC000225874633 242067417 /nfs/dbraw/zinc/06/74/17/242067417.db2.gz MSTDPFQRAPYIKF-UHFFFAOYSA-N 1 2 325.481 4.314 40 0 EIABLO CCN(Cc1c[nH+]cn1C)c1cccc(OCc2cccc(F)c2)c1 ZINC000019526664 212037934 /nfs/dbraw/zinc/03/79/34/212037934.db2.gz ICGHURZAESEVIQ-UHFFFAOYSA-N 1 2 339.414 4.165 40 0 EIABLO CC(C)c1[nH+]ccn1[C@H](C)c1cc(=O)n2[nH]cc(-c3ccccc3)c2n1 ZINC000019454345 212028034 /nfs/dbraw/zinc/02/80/34/212028034.db2.gz ZZRCXCMFENIQSG-CQSZACIVSA-N 1 2 347.422 4.031 40 0 EIABLO CC[C@@H]1c2cccn2CC[N@H+]1Cc1cnn(Cc2ccccc2)c1C ZINC000012188605 211314097 /nfs/dbraw/zinc/31/40/97/211314097.db2.gz FCPWVHPLDTXTJG-HXUWFJFHSA-N 1 2 334.467 4.008 40 0 EIABLO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1cnn(Cc2ccccc2)c1C ZINC000012188605 211314101 /nfs/dbraw/zinc/31/41/01/211314101.db2.gz FCPWVHPLDTXTJG-HXUWFJFHSA-N 1 2 334.467 4.008 40 0 EIABLO Cn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cn1 ZINC000012186580 211313611 /nfs/dbraw/zinc/31/36/11/211313611.db2.gz FACFPZPLWYCIID-MRXNPFEDSA-N 1 2 342.468 4.254 40 0 EIABLO Cn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cn1 ZINC000012186580 211313612 /nfs/dbraw/zinc/31/36/12/211313612.db2.gz FACFPZPLWYCIID-MRXNPFEDSA-N 1 2 342.468 4.254 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216079 257688361 /nfs/dbraw/zinc/68/83/61/257688361.db2.gz ZJLIMKFYTVFFRH-FQEVSTJZSA-N 1 2 349.478 4.439 40 0 EIABLO O[C@H]1c2cc(Cl)cc(Cl)c2O[C@@]2([NH+]3CCCC3)CCCC[C@H]12 ZINC000005664714 563544413 /nfs/dbraw/zinc/54/44/13/563544413.db2.gz WLUNTGWRRIECID-KMFMINBZSA-N 1 2 342.266 4.402 40 0 EIABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccccc1C(F)(F)F ZINC000013265257 563693099 /nfs/dbraw/zinc/69/30/99/563693099.db2.gz URVSBLFEMKBFOG-DYVFJYSZSA-N 1 2 333.357 4.066 40 0 EIABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000013265257 563693102 /nfs/dbraw/zinc/69/31/02/563693102.db2.gz URVSBLFEMKBFOG-DYVFJYSZSA-N 1 2 333.357 4.066 40 0 EIABLO O=C(NCc1ccc2ccccc2c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060615998 563950019 /nfs/dbraw/zinc/95/00/19/563950019.db2.gz XSVKAJATYDLBJM-UHFFFAOYSA-N 1 2 341.414 4.015 40 0 EIABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212933 563984518 /nfs/dbraw/zinc/98/45/18/563984518.db2.gz OMNNCUXILXRLTK-LJQANCHMSA-N 1 2 337.467 4.295 40 0 EIABLO CCN(CC)c1[nH+]cccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072212925 563984527 /nfs/dbraw/zinc/98/45/27/563984527.db2.gz QKLMXAUOKXYECU-MRXNPFEDSA-N 1 2 333.476 4.390 40 0 EIABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000072215951 563985449 /nfs/dbraw/zinc/98/54/49/563985449.db2.gz QQFVQMPFKOKNQK-INIZCTEOSA-N 1 2 331.460 4.144 40 0 EIABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072216010 563985470 /nfs/dbraw/zinc/98/54/70/563985470.db2.gz VKSPKLXTLCOCFX-MRXNPFEDSA-N 1 2 331.460 4.144 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216138 563985503 /nfs/dbraw/zinc/98/55/03/563985503.db2.gz XCWWCXHAOVZFFA-HXUWFJFHSA-N 1 2 349.478 4.439 40 0 EIABLO Cc1cc(N2CCc3ccccc32)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223940 563985862 /nfs/dbraw/zinc/98/58/62/563985862.db2.gz ZQBWYSPFYYJNNP-UHFFFAOYSA-N 1 2 339.439 4.109 40 0 EIABLO Cc1ccc([NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1 ZINC000219856161 564035470 /nfs/dbraw/zinc/03/54/70/564035470.db2.gz VKCZKRFIMCAKQG-UHFFFAOYSA-N 1 2 342.870 4.181 40 0 EIABLO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219863398 564035521 /nfs/dbraw/zinc/03/55/21/564035521.db2.gz HCBCDVHPYDHLQA-SFHVURJKSA-N 1 2 336.479 4.397 40 0 EIABLO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C ZINC000223499950 564040258 /nfs/dbraw/zinc/04/02/58/564040258.db2.gz MCHDCGJKWCZDDJ-GOSISDBHSA-N 1 2 347.462 4.348 40 0 EIABLO CCCCOc1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1C(C)C ZINC000231431599 564128921 /nfs/dbraw/zinc/12/89/21/564128921.db2.gz ATDMSYDIOBAHDB-UHFFFAOYSA-N 1 2 348.468 4.185 40 0 EIABLO Cc1nn(C[C@@H](C)c2cc(NCc3ccccc3)nc(C)[nH+]2)c(C)c1C ZINC000019718043 212057156 /nfs/dbraw/zinc/05/71/56/212057156.db2.gz XTINDYSLECNHFI-CQSZACIVSA-N 1 2 349.482 4.323 40 0 EIABLO CCCc1cc([C@@H]2CCCCC[N@@H+]2Cc2cn(CC)nc2C)no1 ZINC000019525417 212038520 /nfs/dbraw/zinc/03/85/20/212038520.db2.gz DHHUXLPZKZTAAJ-IBGZPJMESA-N 1 2 330.476 4.269 40 0 EIABLO CCCc1cc([C@@H]2CCCCC[N@H+]2Cc2cn(CC)nc2C)no1 ZINC000019525417 212038523 /nfs/dbraw/zinc/03/85/23/212038523.db2.gz DHHUXLPZKZTAAJ-IBGZPJMESA-N 1 2 330.476 4.269 40 0 EIABLO COc1ccccc1N(CC(=O)c1cccs1)C1=[NH+]CCCCC1 ZINC000007276473 258052793 /nfs/dbraw/zinc/05/27/93/258052793.db2.gz FKZMRAMUKGDQDO-UHFFFAOYSA-N 1 2 342.464 4.419 40 0 EIABLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C)cc1 ZINC000044935900 563928509 /nfs/dbraw/zinc/92/85/09/563928509.db2.gz LZZHYFKUJMPRAY-FQEVSTJZSA-N 1 2 333.435 4.121 40 0 EIABLO CCNc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213104 563984492 /nfs/dbraw/zinc/98/44/92/563984492.db2.gz FKNHGNLIPACMRG-SFHVURJKSA-N 1 2 339.439 4.377 40 0 EIABLO CCCNc1[nH+]cccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072213129 563984498 /nfs/dbraw/zinc/98/44/98/563984498.db2.gz NRAKQCBPKHYLED-SFHVURJKSA-N 1 2 339.439 4.377 40 0 EIABLO CN(C)c1[nH+]cccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072212686 563984514 /nfs/dbraw/zinc/98/45/14/563984514.db2.gz RKJDAVUKQAKDJO-SFHVURJKSA-N 1 2 339.439 4.011 40 0 EIABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072212932 563984542 /nfs/dbraw/zinc/98/45/42/563984542.db2.gz OMNNCUXILXRLTK-IBGZPJMESA-N 1 2 337.467 4.295 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCC1 ZINC000072216018 563985452 /nfs/dbraw/zinc/98/54/52/563985452.db2.gz ILNIIKSBZRMTSM-LJQANCHMSA-N 1 2 335.451 4.049 40 0 EIABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000219854559 564035485 /nfs/dbraw/zinc/03/54/85/564035485.db2.gz LEBMDBOXXVZWGN-UHFFFAOYSA-N 1 2 330.378 4.128 40 0 EIABLO COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225501970 564047318 /nfs/dbraw/zinc/04/73/18/564047318.db2.gz OYVLFMDHRPOBPU-QGZVFWFLSA-N 1 2 329.469 4.164 40 0 EIABLO Cc1cc(CC2CCN(C(=O)c3nccc4ccccc43)CC2)cc[nH+]1 ZINC000257285364 564054752 /nfs/dbraw/zinc/05/47/52/564054752.db2.gz PGSXSDHUUHXKRX-UHFFFAOYSA-N 1 2 345.446 4.033 40 0 EIABLO Cc1nc(Nc2ccccc2)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000328961071 564070914 /nfs/dbraw/zinc/07/09/14/564070914.db2.gz BBAYAEFWLDULAW-OAHLLOKOSA-N 1 2 330.435 4.480 40 0 EIABLO Cc1cc(F)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329035969 564071748 /nfs/dbraw/zinc/07/17/48/564071748.db2.gz RGZFCZJZLNZPMX-UHFFFAOYSA-N 1 2 334.398 4.331 40 0 EIABLO O=C(Nc1ccccc1C(F)(F)F)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038849822 213228431 /nfs/dbraw/zinc/22/84/31/213228431.db2.gz NUKWFBBLKVKKIQ-UHFFFAOYSA-N 1 2 345.324 4.203 40 0 EIABLO CC[C@H](C)Nc1nc(NCc2cccnc2)cc(-c2ccccc2)[nH+]1 ZINC000243380336 243025546 /nfs/dbraw/zinc/02/55/46/243025546.db2.gz MGJDXFPGOLNBHG-HNNXBMFYSA-N 1 2 333.439 4.361 40 0 EIABLO CNc1cc([C@@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)cc[nH+]1 ZINC000257231262 244212888 /nfs/dbraw/zinc/21/28/88/244212888.db2.gz GFYZTGKRUZBZNB-KRWDZBQOSA-N 1 2 343.858 4.073 40 0 EIABLO Fc1ccc(Cc2cnc([C@H]3CCC[N@@H+]3Cc3cncs3)o2)cc1 ZINC000257277351 244398875 /nfs/dbraw/zinc/39/88/75/244398875.db2.gz NXPRPXKDPNGMRI-QGZVFWFLSA-N 1 2 343.427 4.198 40 0 EIABLO Fc1ccc(Cc2cnc([C@H]3CCC[N@H+]3Cc3cncs3)o2)cc1 ZINC000257277351 244398883 /nfs/dbraw/zinc/39/88/83/244398883.db2.gz NXPRPXKDPNGMRI-QGZVFWFLSA-N 1 2 343.427 4.198 40 0 EIABLO O=C1C[N@H+]2CC[C@H]1C/C2=C/c1ccnc2c(Cl)cc(Cl)cc12 ZINC000004963780 210342427 /nfs/dbraw/zinc/34/24/27/210342427.db2.gz NBRSVMAOMQHCGU-LEBPBNDJSA-N 1 2 333.218 4.177 40 0 EIABLO O=C1C[N@@H+]2CC[C@H]1C/C2=C/c1ccnc2c(Cl)cc(Cl)cc12 ZINC000004963780 210342432 /nfs/dbraw/zinc/34/24/32/210342432.db2.gz NBRSVMAOMQHCGU-LEBPBNDJSA-N 1 2 333.218 4.177 40 0 EIABLO Cc1ccccc1CNc1cc(-c2ccncc2)[nH+]c(NC(C)(C)C)n1 ZINC000329043596 257903431 /nfs/dbraw/zinc/90/34/31/257903431.db2.gz SSBRRPYHCNDINP-UHFFFAOYSA-N 1 2 347.466 4.091 40 0 EIABLO CC[C@@H](C)Nc1nc(Nc2c(C)cc(Cl)cc2C)cc(C2CC2)[nH+]1 ZINC000329032715 257904408 /nfs/dbraw/zinc/90/44/08/257904408.db2.gz QPEFQVYDOKPVKC-CYBMUJFWSA-N 1 2 344.890 4.422 40 0 EIABLO COc1ccccc1N(CC(=O)c1ccc(F)cc1)C1=[NH+]CCCC1 ZINC000007276439 258052934 /nfs/dbraw/zinc/05/29/34/258052934.db2.gz CECHFTSOQMNABX-UHFFFAOYSA-N 1 2 340.398 4.106 40 0 EIABLO O=C1Nc2ccccc2N=C(c2ccccc2)[C@H]1[NH+]1CCCCCC1 ZINC000005445481 563532859 /nfs/dbraw/zinc/53/28/59/563532859.db2.gz MNWQKKZNVQYIKU-HXUWFJFHSA-N 1 2 333.435 4.004 40 0 EIABLO O[C@@H]1c2cc(Cl)cc(Cl)c2O[C@@]2([NH+]3CCCC3)CCCC[C@H]12 ZINC000005664716 563544377 /nfs/dbraw/zinc/54/43/77/563544377.db2.gz WLUNTGWRRIECID-UNEWFSDZSA-N 1 2 342.266 4.402 40 0 EIABLO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C)c(C)c1 ZINC000044856567 563927289 /nfs/dbraw/zinc/92/72/89/563927289.db2.gz HFFJIEPTAXFWRX-NRFANRHFSA-N 1 2 347.462 4.429 40 0 EIABLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C)cc1C ZINC000044856726 563927299 /nfs/dbraw/zinc/92/72/99/563927299.db2.gz HTPFQXBWOIIYFX-OAQYLSRUSA-N 1 2 347.462 4.429 40 0 EIABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216649 563985493 /nfs/dbraw/zinc/98/54/93/563985493.db2.gz AIUWHQIRQCVIIK-HXUWFJFHSA-N 1 2 349.478 4.439 40 0 EIABLO Cc1cc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]c1N1CCCC1 ZINC000072218837 563985647 /nfs/dbraw/zinc/98/56/47/563985647.db2.gz DYOQMFTYOWEJIT-HXUWFJFHSA-N 1 2 349.478 4.358 40 0 EIABLO CCOc1cccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219861878 564035553 /nfs/dbraw/zinc/03/55/53/564035553.db2.gz LJVSVLUAKOMQPH-UHFFFAOYSA-N 1 2 338.451 4.249 40 0 EIABLO O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000223844235 564040990 /nfs/dbraw/zinc/04/09/90/564040990.db2.gz HTYUCDDXIXFHHJ-UHFFFAOYSA-N 1 2 346.217 4.491 40 0 EIABLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1cccc(Cl)c1 ZINC000225452554 564046914 /nfs/dbraw/zinc/04/69/14/564046914.db2.gz YSNVTYHSKXGODP-UHFFFAOYSA-N 1 2 342.855 4.012 40 0 EIABLO COc1ccc2c(c1)CCN(c1cc(Nc3ccccc3)nc(C)[nH+]1)C2 ZINC000329031237 564071679 /nfs/dbraw/zinc/07/16/79/564071679.db2.gz QHXXTVMPYDULIB-UHFFFAOYSA-N 1 2 346.434 4.100 40 0 EIABLO FC(F)(F)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CC3)n2)cc1 ZINC000329036060 564071760 /nfs/dbraw/zinc/07/17/60/564071760.db2.gz RHYRHDXHZSUULM-UHFFFAOYSA-N 1 2 334.345 4.113 40 0 EIABLO COc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000329069057 564072155 /nfs/dbraw/zinc/07/21/55/564072155.db2.gz YUNDPYZLSSWPEM-UHFFFAOYSA-N 1 2 346.862 4.392 40 0 EIABLO Clc1cccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCCCC3)n2)c1 ZINC000096296203 564146574 /nfs/dbraw/zinc/14/65/74/564146574.db2.gz SGIRCOBJIOYFOF-SFHVURJKSA-N 1 2 345.874 4.436 40 0 biogenic,in-vitro EIABLO Clc1cccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCCCC3)n2)c1 ZINC000096296203 564146575 /nfs/dbraw/zinc/14/65/75/564146575.db2.gz SGIRCOBJIOYFOF-SFHVURJKSA-N 1 2 345.874 4.436 40 0 biogenic,in-vitro EIABLO O=C(OCc1ccc(F)cc1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072202916 216068908 /nfs/dbraw/zinc/06/89/08/216068908.db2.gz JMGVFNXQOUTDBU-LJQANCHMSA-N 1 2 345.389 4.063 40 0 EIABLO O=C(OCc1ccc(F)cc1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000072202916 216068913 /nfs/dbraw/zinc/06/89/13/216068913.db2.gz JMGVFNXQOUTDBU-LJQANCHMSA-N 1 2 345.389 4.063 40 0 EIABLO Cc1[nH+]c([C@@H]2CCCCN2C(=O)c2cccs2)c2sccn12 ZINC000257241056 244245521 /nfs/dbraw/zinc/24/55/21/244245521.db2.gz HWKKBUVPDZTVHL-LBPRGKRZSA-N 1 2 331.466 4.133 40 0 EIABLO COc1ccccc1[C@@H]1[NH2+][C@H](c2nccs2)Cc2ccsc21 ZINC000019571517 212043470 /nfs/dbraw/zinc/04/34/70/212043470.db2.gz GWERKIIOKIQXJN-ZFWWWQNUSA-N 1 2 328.462 4.190 40 0 EIABLO CCCc1cc([C@H]2CCCCC[N@@H+]2Cc2cn(CC)nc2C)no1 ZINC000019525418 212038310 /nfs/dbraw/zinc/03/83/10/212038310.db2.gz DHHUXLPZKZTAAJ-LJQANCHMSA-N 1 2 330.476 4.269 40 0 EIABLO CCCc1cc([C@H]2CCCCC[N@H+]2Cc2cn(CC)nc2C)no1 ZINC000019525418 212038312 /nfs/dbraw/zinc/03/83/12/212038312.db2.gz DHHUXLPZKZTAAJ-LJQANCHMSA-N 1 2 330.476 4.269 40 0 EIABLO O=C(Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C1CCCCC1 ZINC000004937119 210329426 /nfs/dbraw/zinc/32/94/26/210329426.db2.gz OXINMSWIGJFINO-UHFFFAOYSA-N 1 2 340.471 4.068 40 0 EIABLO CNc1nc(Nc2c(Cl)cccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329021241 257904758 /nfs/dbraw/zinc/90/47/58/257904758.db2.gz OFGGNOCVMWZYRN-UHFFFAOYSA-N 1 2 345.233 4.080 40 0 EIABLO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C(C)C)nc2C3)c1F ZINC000072341922 563966412 /nfs/dbraw/zinc/96/64/12/563966412.db2.gz FUXJCRWCZHLDFK-PBHICJAKSA-N 1 2 341.430 4.010 40 0 EIABLO COc1cccc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc(C(C)C)nc2C3)c1F ZINC000072341922 563966413 /nfs/dbraw/zinc/96/64/13/563966413.db2.gz FUXJCRWCZHLDFK-PBHICJAKSA-N 1 2 341.430 4.010 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213875 563984635 /nfs/dbraw/zinc/98/46/35/563984635.db2.gz XBUVDBBQOGHUBF-IBGZPJMESA-N 1 2 335.451 4.413 40 0 EIABLO CNc1[nH+]cc([C@H]2CCCCN2C(=O)OCc2ccccc2)cc1C ZINC000072219011 563985708 /nfs/dbraw/zinc/98/57/08/563985708.db2.gz JPDTZETZPFWKQB-GOSISDBHSA-N 1 2 339.439 4.296 40 0 EIABLO Cc1cc([C@H]2CCCN2C(=O)c2ccccc2)c[nH+]c1N1CCCCC1 ZINC000072219168 563985729 /nfs/dbraw/zinc/98/57/29/563985729.db2.gz AGLHNODEVIFACJ-HXUWFJFHSA-N 1 2 349.478 4.358 40 0 EIABLO CCc1ccc(C[N@@H+](Cc2cnn(CC)c2)Cc2cccnc2)cc1 ZINC000013569137 564020123 /nfs/dbraw/zinc/02/01/23/564020123.db2.gz JCEBQYSSYGXEBM-UHFFFAOYSA-N 1 2 334.467 4.063 40 0 EIABLO CCc1ccc(C[N@H+](Cc2cnn(CC)c2)Cc2cccnc2)cc1 ZINC000013569137 564020124 /nfs/dbraw/zinc/02/01/24/564020124.db2.gz JCEBQYSSYGXEBM-UHFFFAOYSA-N 1 2 334.467 4.063 40 0 EIABLO CC[C@@H](C)Nc1nc(Nc2c(C)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329026170 564071662 /nfs/dbraw/zinc/07/16/62/564071662.db2.gz PKBFUJHVHQXBTI-GFCCVEGCSA-N 1 2 330.863 4.114 40 0 EIABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)cc(C2CC2)[nH+]1 ZINC000329039607 564071810 /nfs/dbraw/zinc/07/18/10/564071810.db2.gz RXVCCOBULZFHBL-INIZCTEOSA-N 1 2 346.862 4.180 40 0 EIABLO Cc1cc(N2Cc3ccccc3C[C@@H]2C)nc(Nc2ccccc2)[nH+]1 ZINC000329060649 564072024 /nfs/dbraw/zinc/07/20/24/564072024.db2.gz WMZQFNMOUVMRFY-INIZCTEOSA-N 1 2 330.435 4.480 40 0 EIABLO CNc1nc(Nc2cc(Cl)ccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329066011 564072049 /nfs/dbraw/zinc/07/20/49/564072049.db2.gz XWHJKYIQRCMNHI-UHFFFAOYSA-N 1 2 345.233 4.080 40 0 EIABLO CCOc1ccc(-c2nc(N)cc(Nc3ccc(C)c(C)c3)[nH+]2)cc1 ZINC000049468031 214010156 /nfs/dbraw/zinc/01/01/56/214010156.db2.gz CYUWOCXZYSXNAI-UHFFFAOYSA-N 1 2 334.423 4.485 40 0 EIABLO CCOc1ccc(-c2nc(Nc3ccc(C)c(C)c3)cc(N)[nH+]2)cc1 ZINC000049468031 214010160 /nfs/dbraw/zinc/01/01/60/214010160.db2.gz CYUWOCXZYSXNAI-UHFFFAOYSA-N 1 2 334.423 4.485 40 0 EIABLO CCOC(=O)c1c[nH+]c2cc(C(F)(F)F)ccc2c1N(CC)CC ZINC000040164041 213278709 /nfs/dbraw/zinc/27/87/09/213278709.db2.gz HOGVROIWIZFUCY-UHFFFAOYSA-N 1 2 340.345 4.277 40 0 EIABLO c1ccc(Oc2cncc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072361889 216168427 /nfs/dbraw/zinc/16/84/27/216168427.db2.gz IBYKBFNWCFAOGQ-IBGZPJMESA-N 1 2 332.407 4.001 40 0 EIABLO c1ccc(Oc2cncc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000072361889 216168432 /nfs/dbraw/zinc/16/84/32/216168432.db2.gz IBYKBFNWCFAOGQ-IBGZPJMESA-N 1 2 332.407 4.001 40 0 EIABLO Cc1ncsc1C[N@@H+]1CCC[C@H]1c1ncc(Cc2ccccc2)o1 ZINC000257344166 244579084 /nfs/dbraw/zinc/57/90/84/244579084.db2.gz ZWAFPGNTCFNSIM-KRWDZBQOSA-N 1 2 339.464 4.367 40 0 EIABLO Cc1ncsc1C[N@H+]1CCC[C@H]1c1ncc(Cc2ccccc2)o1 ZINC000257344166 244579087 /nfs/dbraw/zinc/57/90/87/244579087.db2.gz ZWAFPGNTCFNSIM-KRWDZBQOSA-N 1 2 339.464 4.367 40 0 EIABLO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([NH+]4CCCC4)cc3)cc12 ZINC000012088259 211290221 /nfs/dbraw/zinc/29/02/21/211290221.db2.gz AUPNUUXFCLNDFL-UHFFFAOYSA-N 1 2 347.462 4.357 40 0 EIABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1NCc1ccccc1 ZINC000072222326 518187211 /nfs/dbraw/zinc/18/72/11/518187211.db2.gz SJGHBXJPVKUXCQ-UHFFFAOYSA-N 1 2 327.428 4.027 40 0 EIABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000013265229 563693029 /nfs/dbraw/zinc/69/30/29/563693029.db2.gz QMOOQOPCUWJKBH-YVEFUNNKSA-N 1 2 334.250 4.354 40 0 EIABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000013265229 563693032 /nfs/dbraw/zinc/69/30/32/563693032.db2.gz QMOOQOPCUWJKBH-YVEFUNNKSA-N 1 2 334.250 4.354 40 0 EIABLO CCc1[nH+]cc([C@@H](O)c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000013281764 563693883 /nfs/dbraw/zinc/69/38/83/563693883.db2.gz SHRCSHVAIBZNBJ-IBGZPJMESA-N 1 2 326.827 4.229 40 0 EIABLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccc(C)c(C)c1 ZINC000044856568 563927273 /nfs/dbraw/zinc/92/72/73/563927273.db2.gz HFFJIEPTAXFWRX-OAQYLSRUSA-N 1 2 347.462 4.429 40 0 EIABLO O=C(CC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000045221494 563929015 /nfs/dbraw/zinc/92/90/15/563929015.db2.gz DZKIOFLRMOOKEW-HSZRJFAPSA-N 1 2 345.442 4.486 40 0 EIABLO O=C(CC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000045221494 563929016 /nfs/dbraw/zinc/92/90/16/563929016.db2.gz DZKIOFLRMOOKEW-HSZRJFAPSA-N 1 2 345.442 4.486 40 0 EIABLO CCN(C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072212711 563984490 /nfs/dbraw/zinc/98/44/90/563984490.db2.gz PWAHZEUKGNUMSA-SFHVURJKSA-N 1 2 339.439 4.011 40 0 EIABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216050 563985517 /nfs/dbraw/zinc/98/55/17/563985517.db2.gz REBOWGNXDPROHR-IBGZPJMESA-N 1 2 335.451 4.049 40 0 EIABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216710 563985585 /nfs/dbraw/zinc/98/55/85/563985585.db2.gz KQNIOJSIHMRBHQ-FQEVSTJZSA-N 1 2 349.478 4.439 40 0 EIABLO CC[C@@H](NC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1C ZINC000224825012 564043748 /nfs/dbraw/zinc/04/37/48/564043748.db2.gz LKDOBGZZFKEFAM-HXUWFJFHSA-N 1 2 333.435 4.121 40 0 EIABLO S=C(NCc1ccc(-n2cc[nH+]c2)cc1)Nc1ccccc1Cl ZINC000225452494 564046899 /nfs/dbraw/zinc/04/68/99/564046899.db2.gz DVJYJHZTMMTPCJ-UHFFFAOYSA-N 1 2 342.855 4.012 40 0 EIABLO CC(C)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329014353 564071583 /nfs/dbraw/zinc/07/15/83/564071583.db2.gz MUZVIVSNXNBYQE-UHFFFAOYSA-N 1 2 337.254 4.069 40 0 EIABLO CC[C@H](C)Nc1nc(Nc2c(C)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329026171 564071646 /nfs/dbraw/zinc/07/16/46/564071646.db2.gz PKBFUJHVHQXBTI-LBPRGKRZSA-N 1 2 330.863 4.114 40 0 EIABLO Cc1ccc([NH+]2CCC(C(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000219863177 241413715 /nfs/dbraw/zinc/41/37/15/241413715.db2.gz HNTMDZNXZUVIKZ-JOCHJYFZSA-N 1 2 348.490 4.405 40 0 EIABLO COc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000244151333 243036738 /nfs/dbraw/zinc/03/67/38/243036738.db2.gz UVCFKYWTUUJACX-UHFFFAOYSA-N 1 2 332.407 4.470 40 0 EIABLO CCN(CC)c1[nH+]cccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072212924 257689854 /nfs/dbraw/zinc/68/98/54/257689854.db2.gz QKLMXAUOKXYECU-INIZCTEOSA-N 1 2 333.476 4.390 40 0 EIABLO Cc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)c1C ZINC000329035926 257903647 /nfs/dbraw/zinc/90/36/47/257903647.db2.gz RGOXRTVDVQRNAE-UHFFFAOYSA-N 1 2 332.451 4.168 40 0 EIABLO Cc1[nH+]cc([C@](C)(O)c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000013281779 563693915 /nfs/dbraw/zinc/69/39/15/563693915.db2.gz YAKCYYMMNQBPES-LJQANCHMSA-N 1 2 326.827 4.149 40 0 EIABLO Cc1csc([C@@H](Cc2cccs2)[NH2+]Cc2cccc(C)n2)n1 ZINC000019236346 563855465 /nfs/dbraw/zinc/85/54/65/563855465.db2.gz UORYRQABJCOVIJ-MRXNPFEDSA-N 1 2 329.494 4.290 40 0 EIABLO Cc1cc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCCCC1 ZINC000072219157 563985697 /nfs/dbraw/zinc/98/56/97/563985697.db2.gz DNQPAQOVNAKFFV-KRWDZBQOSA-N 1 2 345.487 4.452 40 0 EIABLO Cc1cc(N(C)c2ccccc2)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223338 563985868 /nfs/dbraw/zinc/98/58/68/563985868.db2.gz DCOWEDGXIRVWNK-UHFFFAOYSA-N 1 2 327.428 4.183 40 0 EIABLO C=Cn1cc(C[N@@H+](Cc2ccc(CC)cc2)Cc2cccnc2)c(C)n1 ZINC000013569110 564020120 /nfs/dbraw/zinc/02/01/20/564020120.db2.gz QAUWYHSHBGJZBW-UHFFFAOYSA-N 1 2 346.478 4.452 40 0 EIABLO C=Cn1cc(C[N@H+](Cc2ccc(CC)cc2)Cc2cccnc2)c(C)n1 ZINC000013569110 564020121 /nfs/dbraw/zinc/02/01/21/564020121.db2.gz QAUWYHSHBGJZBW-UHFFFAOYSA-N 1 2 346.478 4.452 40 0 EIABLO CCNc1nc(Nc2cc(Cl)ccc2C)cc(-c2ccccc2)[nH+]1 ZINC000328966995 564071040 /nfs/dbraw/zinc/07/10/40/564071040.db2.gz CQHGUQATPWKKGN-UHFFFAOYSA-N 1 2 338.842 4.125 40 0 EIABLO CC[C@@H](C)Nc1nc(Nc2ccccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329030730 564071723 /nfs/dbraw/zinc/07/17/23/564071723.db2.gz QFIJTACUAPLVHP-MRXNPFEDSA-N 1 2 332.451 4.250 40 0 EIABLO CC[C@H](C)Nc1nc(NCc2ccc(C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329050062 564071914 /nfs/dbraw/zinc/07/19/14/564071914.db2.gz USNCPLDKEXDKSW-KRWDZBQOSA-N 1 2 346.478 4.118 40 0 EIABLO Fc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c(Cl)c1 ZINC000329051938 564071927 /nfs/dbraw/zinc/07/19/27/564071927.db2.gz UZXRGFYISHEDEY-UHFFFAOYSA-N 1 2 346.837 4.088 40 0 EIABLO c1ccc(-c2cc(NC[C@@H]3CCCO3)nc(NC3CCCC3)[nH+]2)cc1 ZINC000242751570 243021601 /nfs/dbraw/zinc/02/16/01/243021601.db2.gz DHCWTBQTECHQTA-KRWDZBQOSA-N 1 2 338.455 4.089 40 0 EIABLO CC[C@@H](C)Nc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000243088890 243023873 /nfs/dbraw/zinc/02/38/73/243023873.db2.gz IVDUGOQGMKPXCD-OAHLLOKOSA-N 1 2 333.439 4.361 40 0 EIABLO CC[C@H](C)Nc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000243088889 243024719 /nfs/dbraw/zinc/02/47/19/243024719.db2.gz IVDUGOQGMKPXCD-HNNXBMFYSA-N 1 2 333.439 4.361 40 0 EIABLO Clc1ccc(-c2nc(NC3CC3)ncc2-c2[nH]cc[nH+]2)c(Cl)c1 ZINC000012143407 211304733 /nfs/dbraw/zinc/30/47/33/211304733.db2.gz CTRYDMDJVXNYAC-UHFFFAOYSA-N 1 2 346.221 4.415 40 0 EIABLO Cc1cccn2cc(-c3ccc4c(c3)CCN4C(=O)C(C)(C)C)[nH+]c12 ZINC000012088216 211289337 /nfs/dbraw/zinc/28/93/37/211289337.db2.gz HFWBVIRBSKHEEO-UHFFFAOYSA-N 1 2 333.435 4.245 40 0 EIABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1cccc(Cl)c1Cl ZINC000013265249 563693024 /nfs/dbraw/zinc/69/30/24/563693024.db2.gz VCQWNMDJRBTWEZ-WBMJQRKESA-N 1 2 334.250 4.354 40 0 EIABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000013265249 563693025 /nfs/dbraw/zinc/69/30/25/563693025.db2.gz VCQWNMDJRBTWEZ-WBMJQRKESA-N 1 2 334.250 4.354 40 0 EIABLO O=C(CC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000045221490 563928989 /nfs/dbraw/zinc/92/89/89/563928989.db2.gz DZKIOFLRMOOKEW-QHCPKHFHSA-N 1 2 345.442 4.486 40 0 EIABLO O=C(CC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccc2ccccc2c1 ZINC000045221490 563928991 /nfs/dbraw/zinc/92/89/91/563928991.db2.gz DZKIOFLRMOOKEW-QHCPKHFHSA-N 1 2 345.442 4.486 40 0 EIABLO O=C(NCc1cccc2ccccc21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060615728 563949985 /nfs/dbraw/zinc/94/99/85/563949985.db2.gz KYSYLMRSCOSNCQ-UHFFFAOYSA-N 1 2 341.414 4.015 40 0 EIABLO CC(C)(C)OC(=O)N(c1ccc(C2=[NH+]CCCC2)cn1)C1CCC1 ZINC000072215453 563985273 /nfs/dbraw/zinc/98/52/73/563985273.db2.gz COLGRGJDNOFNPO-UHFFFAOYSA-N 1 2 329.444 4.349 40 0 EIABLO Cc1cc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]c1N1CCCC1 ZINC000072218836 563985633 /nfs/dbraw/zinc/98/56/33/563985633.db2.gz DYOQMFTYOWEJIT-FQEVSTJZSA-N 1 2 349.478 4.358 40 0 EIABLO COc1ccc(Cc2cnc([C@H]3CCC[N@@H+]3Cc3cccnc3)o2)cc1 ZINC000257317273 564055336 /nfs/dbraw/zinc/05/53/36/564055336.db2.gz VJBZGGAQKLZDOG-HXUWFJFHSA-N 1 2 349.434 4.006 40 0 EIABLO COc1ccc(Cc2cnc([C@H]3CCC[N@H+]3Cc3cccnc3)o2)cc1 ZINC000257317273 564055337 /nfs/dbraw/zinc/05/53/37/564055337.db2.gz VJBZGGAQKLZDOG-HXUWFJFHSA-N 1 2 349.434 4.006 40 0 EIABLO CNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328975156 564071109 /nfs/dbraw/zinc/07/11/09/564071109.db2.gz FJRJAGHTNGBUTR-UHFFFAOYSA-N 1 2 344.340 4.370 40 0 EIABLO CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2C)cc(C2CC2)[nH+]1 ZINC000329015848 564071571 /nfs/dbraw/zinc/07/15/71/564071571.db2.gz NCKXJRUIDJVBRL-LBPRGKRZSA-N 1 2 330.863 4.114 40 0 EIABLO CCNc1nc(Nc2ccc(C)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329032232 564071735 /nfs/dbraw/zinc/07/17/35/564071735.db2.gz QNFOVWHTYGFTOG-UHFFFAOYSA-N 1 2 338.842 4.125 40 0 EIABLO CCNc1nc(Nc2ccc(C)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329059621 564072035 /nfs/dbraw/zinc/07/20/35/564072035.db2.gz WILOSFWQFCOEJX-UHFFFAOYSA-N 1 2 338.842 4.125 40 0 EIABLO c1csc(Nc2nccc([C@@H]3CCC[N@H+]3CC3CCCCC3)n2)n1 ZINC000072377850 216178934 /nfs/dbraw/zinc/17/89/34/216178934.db2.gz RPYFNXFINGRWGX-INIZCTEOSA-N 1 2 343.500 4.394 40 0 EIABLO c1csc(Nc2nccc([C@@H]3CCC[N@@H+]3CC3CCCCC3)n2)n1 ZINC000072377850 216178937 /nfs/dbraw/zinc/17/89/37/216178937.db2.gz RPYFNXFINGRWGX-INIZCTEOSA-N 1 2 343.500 4.394 40 0 EIABLO CC(C)c1ccc2[nH]c(=O)c(CNc3ccc([NH+](C)C)cc3)cc2c1 ZINC000012088253 211288940 /nfs/dbraw/zinc/28/89/40/211288940.db2.gz IZDXUXLGLPJFES-UHFFFAOYSA-N 1 2 335.451 4.330 40 0 EIABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccc(Cl)cc1Cl ZINC000013265242 563693039 /nfs/dbraw/zinc/69/30/39/563693039.db2.gz CDCYSYACVZEUQD-DYVFJYSZSA-N 1 2 334.250 4.354 40 0 EIABLO Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1ccc(Cl)cc1Cl ZINC000013265242 563693041 /nfs/dbraw/zinc/69/30/41/563693041.db2.gz CDCYSYACVZEUQD-DYVFJYSZSA-N 1 2 334.250 4.354 40 0 EIABLO CC(C)(C)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000044839091 563926798 /nfs/dbraw/zinc/92/67/98/563926798.db2.gz CADRPNZLGQNFFK-UHFFFAOYSA-N 1 2 333.435 4.100 40 0 EIABLO C[N@H+](Cc1[nH]nc2c1CCCC2)Cc1ccc2cccc(Cl)c2n1 ZINC000057811472 563935923 /nfs/dbraw/zinc/93/59/23/563935923.db2.gz LXTRTDARBLHSMB-UHFFFAOYSA-N 1 2 340.858 4.122 40 0 EIABLO C[N@@H+](Cc1[nH]nc2c1CCCC2)Cc1ccc2cccc(Cl)c2n1 ZINC000057811472 563935924 /nfs/dbraw/zinc/93/59/24/563935924.db2.gz LXTRTDARBLHSMB-UHFFFAOYSA-N 1 2 340.858 4.122 40 0 EIABLO Cc1ccc([NH+]2CCC(C(=O)N[C@H](C)c3ccc(F)cc3)CC2)cc1 ZINC000219863464 564035562 /nfs/dbraw/zinc/03/55/62/564035562.db2.gz VDABACYOGPAQHZ-MRXNPFEDSA-N 1 2 340.442 4.228 40 0 EIABLO Cc1cc(C)c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000225648236 564048956 /nfs/dbraw/zinc/04/89/56/564048956.db2.gz SVNYKEIBGORVNU-JXMROGBWSA-N 1 2 348.490 4.083 40 0 EIABLO Cc1cccc(C)c1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328961420 564070944 /nfs/dbraw/zinc/07/09/44/564070944.db2.gz BCJHKUKFOATSNR-UHFFFAOYSA-N 1 2 336.483 4.303 40 0 EIABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc1 ZINC000329021790 564071620 /nfs/dbraw/zinc/07/16/20/564071620.db2.gz OJVAEDPUSZODSZ-UHFFFAOYSA-N 1 2 340.427 4.095 40 0 EIABLO Cc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCCCC3)n2)cc1 ZINC000067898654 215245035 /nfs/dbraw/zinc/24/50/35/215245035.db2.gz ARPWMJJQCQVNEN-IBGZPJMESA-N 1 2 325.456 4.091 40 0 biogenic,in-vitro EIABLO Cc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCCCC3)n2)cc1 ZINC000067898654 215245039 /nfs/dbraw/zinc/24/50/39/215245039.db2.gz ARPWMJJQCQVNEN-IBGZPJMESA-N 1 2 325.456 4.091 40 0 biogenic,in-vitro EIABLO Cc1ccccc1C(=O)Nc1cc([NH+]2CCC(C)CC2)c(C)cc1N ZINC000216866491 241217787 /nfs/dbraw/zinc/21/77/87/241217787.db2.gz HFMQOZPXGVYGTK-UHFFFAOYSA-N 1 2 337.467 4.374 40 0 EIABLO c1ccc(-c2cc(Nc3ccc4c(c3)OCO4)nc(NC3CC3)[nH+]2)cc1 ZINC000244454601 243038095 /nfs/dbraw/zinc/03/80/95/243038095.db2.gz ZDTVQBHKKDIACI-UHFFFAOYSA-N 1 2 346.390 4.190 40 0 EIABLO CC(C)(C)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000019931452 212085399 /nfs/dbraw/zinc/08/53/99/212085399.db2.gz BDYIATVAEJEKLA-UHFFFAOYSA-N 1 2 333.435 4.100 40 0 EIABLO CCCc1cc([C@@H]2CCCCC[N@@H+]2Cc2cnn(CC)c2C)no1 ZINC000019525423 212038284 /nfs/dbraw/zinc/03/82/84/212038284.db2.gz XUTRYRAYLANSDR-IBGZPJMESA-N 1 2 330.476 4.269 40 0 EIABLO CCCc1cc([C@@H]2CCCCC[N@H+]2Cc2cnn(CC)c2C)no1 ZINC000019525423 212038286 /nfs/dbraw/zinc/03/82/86/212038286.db2.gz XUTRYRAYLANSDR-IBGZPJMESA-N 1 2 330.476 4.269 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213935 257689270 /nfs/dbraw/zinc/68/92/70/257689270.db2.gz QMZOZNMEGFRCLF-IBGZPJMESA-N 1 2 335.451 4.413 40 0 EIABLO O=C1Nc2ccccc2N=C(c2ccccc2)[C@@H]1[NH+]1CCCCCC1 ZINC000005445482 563532872 /nfs/dbraw/zinc/53/28/72/563532872.db2.gz MNWQKKZNVQYIKU-FQEVSTJZSA-N 1 2 333.435 4.004 40 0 EIABLO CCOc1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000013563745 563701850 /nfs/dbraw/zinc/70/18/50/563701850.db2.gz BRMLKIZRFZEURO-MRXNPFEDSA-N 1 2 348.446 4.417 40 0 EIABLO CCOc1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000013563745 563701853 /nfs/dbraw/zinc/70/18/53/563701853.db2.gz BRMLKIZRFZEURO-MRXNPFEDSA-N 1 2 348.446 4.417 40 0 EIABLO O[C@@H](COc1ccc(Cl)cc1)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000076556319 563968103 /nfs/dbraw/zinc/96/81/03/563968103.db2.gz IWHOXCGUBQPDIZ-OAHLLOKOSA-N 1 2 342.826 4.007 40 0 EIABLO Cc1cc(C)cc(OC[C@@H](O)Cn2c3ccccc3[nH+]c2C(C)C)c1 ZINC000082086938 563971988 /nfs/dbraw/zinc/97/19/88/563971988.db2.gz DCFBUONHNVOWJD-KRWDZBQOSA-N 1 2 338.451 4.216 40 0 EIABLO CCNc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)c[nH+]1 ZINC000072213105 563984496 /nfs/dbraw/zinc/98/44/96/563984496.db2.gz FKNHGNLIPACMRG-GOSISDBHSA-N 1 2 339.439 4.377 40 0 EIABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213965 563984614 /nfs/dbraw/zinc/98/46/14/563984614.db2.gz SSXXUBPHTGLZLR-LJQANCHMSA-N 1 2 335.451 4.413 40 0 EIABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213966 563984630 /nfs/dbraw/zinc/98/46/30/563984630.db2.gz SSXXUBPHTGLZLR-IBGZPJMESA-N 1 2 335.451 4.413 40 0 EIABLO Cc1cc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]c1N1CCCC1 ZINC000072218828 563985653 /nfs/dbraw/zinc/98/56/53/563985653.db2.gz FUMSEGFGNBNFLX-KRWDZBQOSA-N 1 2 345.487 4.452 40 0 EIABLO Cc1cccc2cc3c(nc12)OCC[N@H+](CCc1ccc(F)cc1)C3 ZINC000013563767 564020302 /nfs/dbraw/zinc/02/03/02/564020302.db2.gz UZQIUDHQRDUUNC-UHFFFAOYSA-N 1 2 336.410 4.119 40 0 EIABLO Cc1cccc2cc3c(nc12)OCC[N@@H+](CCc1ccc(F)cc1)C3 ZINC000013563767 564020303 /nfs/dbraw/zinc/02/03/03/564020303.db2.gz UZQIUDHQRDUUNC-UHFFFAOYSA-N 1 2 336.410 4.119 40 0 EIABLO COc1cc(C)c2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000013563863 564020335 /nfs/dbraw/zinc/02/03/35/564020335.db2.gz KQOWWDWXSNUVOM-INIZCTEOSA-N 1 2 348.446 4.335 40 0 EIABLO COc1cc(C)c2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000013563863 564020336 /nfs/dbraw/zinc/02/03/36/564020336.db2.gz KQOWWDWXSNUVOM-INIZCTEOSA-N 1 2 348.446 4.335 40 0 EIABLO Fc1ccc(C2(CNC(=S)Nc3cc[nH+]cc3)CCCC2)cc1 ZINC000223982582 564041370 /nfs/dbraw/zinc/04/13/70/564041370.db2.gz IHBHLTDATJFXBP-UHFFFAOYSA-N 1 2 329.444 4.019 40 0 EIABLO CCNc1nc(Nc2ccc(Br)c(C)c2)cc(C2CC2)[nH+]1 ZINC000328982410 564071196 /nfs/dbraw/zinc/07/11/96/564071196.db2.gz GZWPBTGHMWRBBT-UHFFFAOYSA-N 1 2 347.260 4.022 40 0 EIABLO CC(C)Nc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328995846 564071355 /nfs/dbraw/zinc/07/13/55/564071355.db2.gz JIPXKXDDRRCYQX-UHFFFAOYSA-N 1 2 337.254 4.069 40 0 EIABLO c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000328999250 564071402 /nfs/dbraw/zinc/07/14/02/564071402.db2.gz JVDXHIKFOUQIIP-UHFFFAOYSA-N 1 2 344.462 4.476 40 0 EIABLO Cc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC(C)(C)C)n2)cc1 ZINC000329038657 564071815 /nfs/dbraw/zinc/07/18/15/564071815.db2.gz RTZVDUQYZVEPGJ-UHFFFAOYSA-N 1 2 347.466 4.091 40 0 EIABLO c1ccc(Oc2cncc([C@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072361890 216168542 /nfs/dbraw/zinc/16/85/42/216168542.db2.gz IBYKBFNWCFAOGQ-LJQANCHMSA-N 1 2 332.407 4.001 40 0 EIABLO c1ccc(Oc2cncc([C@H]3CCC[N@@H+]3Cc3cccnc3)n2)cc1 ZINC000072361890 216168546 /nfs/dbraw/zinc/16/85/46/216168546.db2.gz IBYKBFNWCFAOGQ-LJQANCHMSA-N 1 2 332.407 4.001 40 0 EIABLO CC1CC[NH+](Cc2csc(NC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)n2)CC1 ZINC000022291576 212289120 /nfs/dbraw/zinc/28/91/20/212289120.db2.gz GWTBKBBXVPMIIU-XHSDSOJGSA-N 1 2 347.528 4.140 40 0 EIABLO c1ccc(-c2cc(NC[C@H]3CCCO3)nc(NC3CCCC3)[nH+]2)cc1 ZINC000242751571 243021425 /nfs/dbraw/zinc/02/14/25/243021425.db2.gz DHCWTBQTECHQTA-QGZVFWFLSA-N 1 2 338.455 4.089 40 0 EIABLO CC1CC[NH+]([C@H](CC(=O)c2ccccc2)C(=O)c2ccccc2)CC1 ZINC000001555484 563391845 /nfs/dbraw/zinc/39/18/45/563391845.db2.gz NPQYEFLERKBEHZ-HXUWFJFHSA-N 1 2 335.447 4.243 40 0 EIABLO N=C1[NH+]=C(N2CCCCC2)S/C1=C/c1ccc2ccccc2c1O ZINC000016526021 563814526 /nfs/dbraw/zinc/81/45/26/563814526.db2.gz BASHBPMZLFQARX-OLKMIDAGSA-N 1 2 337.448 4.452 40 0 EIABLO C[NH+](C)c1ccc(-n2c3ccccc3nc2-c2cccc(N)c2)cc1 ZINC000073739977 563921049 /nfs/dbraw/zinc/92/10/49/563921049.db2.gz GSDJANYWZLJQNR-UHFFFAOYSA-N 1 2 328.419 4.341 40 0 EIABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216039 563985464 /nfs/dbraw/zinc/98/54/64/563985464.db2.gz ISVTUFNGMVIKQN-MRXNPFEDSA-N 1 2 331.460 4.144 40 0 EIABLO Cc1[nH+]c(N2CCc3ccccc32)ccc1CNC(=O)OC(C)(C)C ZINC000072224982 563985846 /nfs/dbraw/zinc/98/58/46/563985846.db2.gz NOGAMPXIFZXTKW-UHFFFAOYSA-N 1 2 339.439 4.109 40 0 EIABLO COCc1ccc(C[N@H+](Cc2cccs2)Cc2cccnc2)o1 ZINC000013569761 564020219 /nfs/dbraw/zinc/02/02/19/564020219.db2.gz RXTMBJIDPVWYBT-UHFFFAOYSA-N 1 2 328.437 4.085 40 0 EIABLO COCc1ccc(C[N@@H+](Cc2cccs2)Cc2cccnc2)o1 ZINC000013569761 564020220 /nfs/dbraw/zinc/02/02/20/564020220.db2.gz RXTMBJIDPVWYBT-UHFFFAOYSA-N 1 2 328.437 4.085 40 0 EIABLO COc1ccc(C)cc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219852401 564035468 /nfs/dbraw/zinc/03/54/68/564035468.db2.gz BJMLFCTXXRIXJU-UHFFFAOYSA-N 1 2 338.451 4.167 40 0 EIABLO Cc1ccccc1[C@H](NC(=S)Nc1cc[nH+]cc1)c1ccccc1 ZINC000225507916 564047386 /nfs/dbraw/zinc/04/73/86/564047386.db2.gz KTKAMCVZBWKTIV-LJQANCHMSA-N 1 2 333.460 4.466 40 0 EIABLO Fc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000329002169 564071447 /nfs/dbraw/zinc/07/14/47/564071447.db2.gz KGDZLSDTOBLLIB-UHFFFAOYSA-N 1 2 346.837 4.088 40 0 EIABLO CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2C)cc(C2CC2)[nH+]1 ZINC000329015847 564071561 /nfs/dbraw/zinc/07/15/61/564071561.db2.gz NCKXJRUIDJVBRL-GFCCVEGCSA-N 1 2 330.863 4.114 40 0 EIABLO CSc1cccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329016441 564071573 /nfs/dbraw/zinc/07/15/73/564071573.db2.gz NGNLRROLEGBUPU-UHFFFAOYSA-N 1 2 340.496 4.018 40 0 EIABLO CNc1nc(Nc2c(C)cc(Cl)cc2C)cc(-c2ccccc2)[nH+]1 ZINC000329034860 564071752 /nfs/dbraw/zinc/07/17/52/564071752.db2.gz RBIBZNPTWSTRIC-UHFFFAOYSA-N 1 2 338.842 4.043 40 0 EIABLO O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC000030952702 564158216 /nfs/dbraw/zinc/15/82/16/564158216.db2.gz OAJHZUJWYMUDBG-JXMROGBWSA-N 1 2 337.810 4.237 40 0 EIABLO CC(C)Nc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)[nH+]1 ZINC000243201787 243024799 /nfs/dbraw/zinc/02/47/99/243024799.db2.gz KFLLXJULSXRPDV-UHFFFAOYSA-N 1 2 348.406 4.436 40 0 EIABLO CC[C@@H](C)Nc1nc(NCc2cccnc2)cc(-c2ccccc2)[nH+]1 ZINC000243380337 243025593 /nfs/dbraw/zinc/02/55/93/243025593.db2.gz MGJDXFPGOLNBHG-OAHLLOKOSA-N 1 2 333.439 4.361 40 0 EIABLO COc1ccc([C@H]2[NH2+][C@@H](c3nc(C)cs3)Cc3ccsc32)cc1 ZINC000019240273 212009385 /nfs/dbraw/zinc/00/93/85/212009385.db2.gz GNRSGQKDUDUFFW-HZPDHXFCSA-N 1 2 342.489 4.498 40 0 EIABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216709 257688343 /nfs/dbraw/zinc/68/83/43/257688343.db2.gz KQNIOJSIHMRBHQ-HXUWFJFHSA-N 1 2 349.478 4.439 40 0 EIABLO Fc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC2CCCC2)n1 ZINC000328955328 257910696 /nfs/dbraw/zinc/91/06/96/257910696.db2.gz ABSZCBGPBOKSIN-UHFFFAOYSA-N 1 2 346.837 4.088 40 0 EIABLO Cc1[nH+]cc([C@@](C)(O)c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000005504232 563535747 /nfs/dbraw/zinc/53/57/47/563535747.db2.gz YAKCYYMMNQBPES-IBGZPJMESA-N 1 2 326.827 4.149 40 0 EIABLO Cc1ccc([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(C)c1 ZINC000044935054 563928514 /nfs/dbraw/zinc/92/85/14/563928514.db2.gz BFOGAHFOIZGTIJ-KRWDZBQOSA-N 1 2 333.435 4.039 40 0 EIABLO Cc1cc(C)c2cc3c(nc2c1)OCC[N@@H+](CCOc1ccccc1)C3 ZINC000013563806 564020289 /nfs/dbraw/zinc/02/02/89/564020289.db2.gz QOXFQGGSMLVHPG-UHFFFAOYSA-N 1 2 348.446 4.125 40 0 EIABLO Cc1cc(C)c2cc3c(nc2c1)OCC[N@H+](CCOc1ccccc1)C3 ZINC000013563806 564020290 /nfs/dbraw/zinc/02/02/90/564020290.db2.gz QOXFQGGSMLVHPG-UHFFFAOYSA-N 1 2 348.446 4.125 40 0 EIABLO Cc1ccccc1[C@@H](NC(=S)Nc1cc[nH+]cc1)c1ccccc1 ZINC000225507877 564047410 /nfs/dbraw/zinc/04/74/10/564047410.db2.gz KTKAMCVZBWKTIV-IBGZPJMESA-N 1 2 333.460 4.466 40 0 EIABLO CNc1nc(Nc2ccc(Cl)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329006264 564059557 /nfs/dbraw/zinc/05/95/57/564059557.db2.gz LBLQZQAWSFJZDQ-UHFFFAOYSA-N 1 2 345.233 4.080 40 0 EIABLO CCc1cc(N2CCc3ccccc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329047051 564071892 /nfs/dbraw/zinc/07/18/92/564071892.db2.gz UEGNRMHZKNAPLE-UHFFFAOYSA-N 1 2 330.435 4.345 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216139 563985505 /nfs/dbraw/zinc/98/55/05/563985505.db2.gz XCWWCXHAOVZFFA-FQEVSTJZSA-N 1 2 349.478 4.439 40 0 EIABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216110 563985530 /nfs/dbraw/zinc/98/55/30/563985530.db2.gz PRTWJHLZYVWDHN-IBGZPJMESA-N 1 2 335.451 4.049 40 0 EIABLO CNc1[nH+]cc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cc1C ZINC000072219010 563985717 /nfs/dbraw/zinc/98/57/17/563985717.db2.gz JPDTZETZPFWKQB-SFHVURJKSA-N 1 2 339.439 4.296 40 0 EIABLO Cc1c(F)cccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328976615 564071156 /nfs/dbraw/zinc/07/11/56/564071156.db2.gz FOWLYNJTQZQECO-UHFFFAOYSA-N 1 2 340.446 4.134 40 0 EIABLO Cc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329018798 564071569 /nfs/dbraw/zinc/07/15/69/564071569.db2.gz NSQOMRGXEWGOQY-UHFFFAOYSA-N 1 2 344.462 4.394 40 0 EIABLO CC[C@@H](C)Nc1nc(Nc2c(C)ccc(Cl)c2C)cc(C2CC2)[nH+]1 ZINC000329060766 564072001 /nfs/dbraw/zinc/07/20/01/564072001.db2.gz WNSLHANFKPKKAO-GFCCVEGCSA-N 1 2 344.890 4.422 40 0 EIABLO CCCC[NH+](CCCC)c1ccc(Cc2cc(C)n[nH]c2=O)cc1 ZINC000199779839 241041084 /nfs/dbraw/zinc/04/10/84/241041084.db2.gz PMTQVGNZVKOCFX-UHFFFAOYSA-N 1 2 327.472 4.076 40 0 EIABLO Cc1nn(C[C@H](C)c2cc(NCc3ccccc3)nc(C)[nH+]2)c(C)c1C ZINC000019718042 212056745 /nfs/dbraw/zinc/05/67/45/212056745.db2.gz XTINDYSLECNHFI-AWEZNQCLSA-N 1 2 349.482 4.323 40 0 EIABLO Cn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)cn1 ZINC000012186581 211314286 /nfs/dbraw/zinc/31/42/86/211314286.db2.gz FACFPZPLWYCIID-INIZCTEOSA-N 1 2 342.468 4.254 40 0 EIABLO Cn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)cn1 ZINC000012186581 211314289 /nfs/dbraw/zinc/31/42/89/211314289.db2.gz FACFPZPLWYCIID-INIZCTEOSA-N 1 2 342.468 4.254 40 0 EIABLO CC(C)[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000012143780 211304568 /nfs/dbraw/zinc/30/45/68/211304568.db2.gz HHMZKQQYCKIRNY-SFHVURJKSA-N 1 2 339.464 4.120 40 0 EIABLO CCc1[nH+]cc([C@@](C)(O)c2ccc(Cl)cc2)n1Cc1ccccc1 ZINC000005502424 563535806 /nfs/dbraw/zinc/53/58/06/563535806.db2.gz ZGLZHMPMIUHKKJ-FQEVSTJZSA-N 1 2 340.854 4.403 40 0 EIABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1cccc(Cl)c1Cl ZINC000013265248 563693126 /nfs/dbraw/zinc/69/31/26/563693126.db2.gz VCQWNMDJRBTWEZ-BLLLJJGKSA-N 1 2 334.250 4.354 40 0 EIABLO Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000013265248 563693128 /nfs/dbraw/zinc/69/31/28/563693128.db2.gz VCQWNMDJRBTWEZ-BLLLJJGKSA-N 1 2 334.250 4.354 40 0 EIABLO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000044905915 563928169 /nfs/dbraw/zinc/92/81/69/563928169.db2.gz OZHMGJZKHIVNPL-KRWDZBQOSA-N 1 2 333.435 4.039 40 0 EIABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213934 563984637 /nfs/dbraw/zinc/98/46/37/563984637.db2.gz QMZOZNMEGFRCLF-LJQANCHMSA-N 1 2 335.451 4.413 40 0 EIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@@H+](CCOc1ccccc1)C3 ZINC000013563793 564020295 /nfs/dbraw/zinc/02/02/95/564020295.db2.gz ZFQPRYUZOWDTLV-UHFFFAOYSA-N 1 2 348.446 4.125 40 0 EIABLO Cc1ccc2cc3c(nc2c1C)OCC[N@H+](CCOc1ccccc1)C3 ZINC000013563793 564020296 /nfs/dbraw/zinc/02/02/96/564020296.db2.gz ZFQPRYUZOWDTLV-UHFFFAOYSA-N 1 2 348.446 4.125 40 0 EIABLO COc1ccc2cc3c(nc2c1)O[C@@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000057712459 564035064 /nfs/dbraw/zinc/03/50/64/564035064.db2.gz AVBVHOVBQBIGDY-HNNXBMFYSA-N 1 2 334.419 4.027 40 0 EIABLO COc1ccc2cc3c(nc2c1)O[C@@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000057712459 564035065 /nfs/dbraw/zinc/03/50/65/564035065.db2.gz AVBVHOVBQBIGDY-HNNXBMFYSA-N 1 2 334.419 4.027 40 0 EIABLO Cc1ccc([N@H+](C)CCCNC(=O)c2ccc(C)cc2Cl)cc1 ZINC000225005607 564044336 /nfs/dbraw/zinc/04/43/36/564044336.db2.gz DVAGQOWBEOOOAN-UHFFFAOYSA-N 1 2 330.859 4.213 40 0 EIABLO Cc1ccc([N@@H+](C)CCCNC(=O)c2ccc(C)cc2Cl)cc1 ZINC000225005607 564044337 /nfs/dbraw/zinc/04/43/37/564044337.db2.gz DVAGQOWBEOOOAN-UHFFFAOYSA-N 1 2 330.859 4.213 40 0 EIABLO Cc1ncsc1C[N@@H+]1CCC[C@@H]1c1ncc(Cc2ccccc2)o1 ZINC000257344167 564055825 /nfs/dbraw/zinc/05/58/25/564055825.db2.gz ZWAFPGNTCFNSIM-QGZVFWFLSA-N 1 2 339.464 4.367 40 0 EIABLO Cc1ncsc1C[N@H+]1CCC[C@@H]1c1ncc(Cc2ccccc2)o1 ZINC000257344167 564055826 /nfs/dbraw/zinc/05/58/26/564055826.db2.gz ZWAFPGNTCFNSIM-QGZVFWFLSA-N 1 2 339.464 4.367 40 0 EIABLO CCOc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CC)n2)cc1 ZINC000328964908 564071000 /nfs/dbraw/zinc/07/10/00/564071000.db2.gz BYBQFYODBSYBGE-ZDUSSCGKSA-N 1 2 326.444 4.129 40 0 EIABLO CC[C@H](C)Nc1nc(NCc2cccc(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000328995079 564071329 /nfs/dbraw/zinc/07/13/29/564071329.db2.gz JFUSXKOGJYXRDF-KRWDZBQOSA-N 1 2 346.478 4.118 40 0 EIABLO Clc1ccc2c(c1)CCN(c1cc(NC3CCCC3)[nH+]cn1)C2 ZINC000329005943 564071464 /nfs/dbraw/zinc/07/14/64/564071464.db2.gz LAZAQYQEBDHBAA-UHFFFAOYSA-N 1 2 328.847 4.047 40 0 EIABLO Clc1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc[nH+]1)C2 ZINC000329005943 564071465 /nfs/dbraw/zinc/07/14/65/564071465.db2.gz LAZAQYQEBDHBAA-UHFFFAOYSA-N 1 2 328.847 4.047 40 0 EIABLO CC(C)(C)Nc1nc(Nc2ccc(F)c(F)c2F)cc(C2CC2)[nH+]1 ZINC000329023970 564071644 /nfs/dbraw/zinc/07/16/44/564071644.db2.gz OXMXSHFPEVSEKW-UHFFFAOYSA-N 1 2 336.361 4.147 40 0 EIABLO CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000329034314 564071730 /nfs/dbraw/zinc/07/17/30/564071730.db2.gz QXQNGRVUXUQPKL-UHFFFAOYSA-N 1 2 348.475 4.027 40 0 EIABLO Cc1ccc(C)c(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)c1 ZINC000329039697 564071788 /nfs/dbraw/zinc/07/17/88/564071788.db2.gz RYVHRKCFDPQOEH-UHFFFAOYSA-N 1 2 332.451 4.168 40 0 EIABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1F ZINC000329047059 564071859 /nfs/dbraw/zinc/07/18/59/564071859.db2.gz UEJGBXWARZDVIE-UHFFFAOYSA-N 1 2 340.446 4.134 40 0 EIABLO C[C@@H]1Cc2ccccc2CN1c1cc(NCc2ccccc2)[nH+]cn1 ZINC000329043763 564071886 /nfs/dbraw/zinc/07/18/86/564071886.db2.gz SUTRIRYELDNISF-MRXNPFEDSA-N 1 2 330.435 4.040 40 0 EIABLO C[C@@H]1Cc2ccccc2CN1c1cc(NCc2ccccc2)nc[nH+]1 ZINC000329043763 564071887 /nfs/dbraw/zinc/07/18/87/564071887.db2.gz SUTRIRYELDNISF-MRXNPFEDSA-N 1 2 330.435 4.040 40 0 EIABLO CCOc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329065997 564072051 /nfs/dbraw/zinc/07/20/51/564072051.db2.gz XWFAUGSLVSUTSG-UHFFFAOYSA-N 1 2 338.455 4.273 40 0 EIABLO