smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCSc1cncc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164658060 719354517 /nfs/dbraw/zinc/35/45/17/719354517.db2.gz CXVHSIKZQXMYRF-UHFFFAOYSA-N 1 2 434.613 4.283 20 0 IIADLO CCSc1cncc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164658060 719354519 /nfs/dbraw/zinc/35/45/19/719354519.db2.gz CXVHSIKZQXMYRF-UHFFFAOYSA-N 1 2 434.613 4.283 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc4c(Cl)ccnc4n2)CC3)cc1 ZINC001164670198 719512241 /nfs/dbraw/zinc/51/22/41/719512241.db2.gz BNOIIXYIQPGURJ-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc4c(Cl)ccnc4n2)CC3)cc1 ZINC001164670198 719512243 /nfs/dbraw/zinc/51/22/43/719512243.db2.gz BNOIIXYIQPGURJ-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc4c(Cl)ccnc4cn2)CC3)cc1 ZINC001164673983 719515102 /nfs/dbraw/zinc/51/51/02/719515102.db2.gz WXLRNPXIHTXCKD-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc4c(Cl)ccnc4cn2)CC3)cc1 ZINC001164673983 719515107 /nfs/dbraw/zinc/51/51/07/719515107.db2.gz WXLRNPXIHTXCKD-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676978 719568342 /nfs/dbraw/zinc/56/83/42/719568342.db2.gz SZFFEALZYQEPGV-UHFFFAOYSA-N 1 2 433.890 4.344 20 0 IIADLO CSc1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)nc1Cl ZINC001164723362 720315262 /nfs/dbraw/zinc/31/52/62/720315262.db2.gz OFRAWWVBZHEZGB-AWEZNQCLSA-N 1 2 443.951 4.019 20 0 IIADLO FC(F)(c1ccc2ncnc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755803 720977110 /nfs/dbraw/zinc/97/71/10/720977110.db2.gz BXNPAQHNOKSWQL-OAHLLOKOSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(c1cccc2c(Cl)ncnc21)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758519 720980634 /nfs/dbraw/zinc/98/06/34/720980634.db2.gz VSTFXAGWSOJJCX-HNNXBMFYSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767066 721274451 /nfs/dbraw/zinc/27/44/51/721274451.db2.gz FHTHAUWZNRBQLM-CQSZACIVSA-N 1 2 444.873 4.068 20 0 IIADLO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165008996 721708158 /nfs/dbraw/zinc/70/81/58/721708158.db2.gz MPNMHSWTFXAMAZ-UHFFFAOYSA-N 1 2 449.386 4.392 20 0 IIADLO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165008996 721708162 /nfs/dbraw/zinc/70/81/62/721708162.db2.gz MPNMHSWTFXAMAZ-UHFFFAOYSA-N 1 2 449.386 4.392 20 0 IIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC1 ZINC001164918691 721820663 /nfs/dbraw/zinc/82/06/63/721820663.db2.gz GZNPTPNXLSNETP-UHFFFAOYSA-N 1 2 449.855 4.245 20 0 IIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC1 ZINC001164918691 721820664 /nfs/dbraw/zinc/82/06/64/721820664.db2.gz GZNPTPNXLSNETP-UHFFFAOYSA-N 1 2 449.855 4.245 20 0 IIADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054882 722017600 /nfs/dbraw/zinc/01/76/00/722017600.db2.gz HXQVRLOZEJVGPW-UHFFFAOYSA-N 1 2 435.931 4.163 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C3CCC3)ncn1)CC2 ZINC001164658975 719355583 /nfs/dbraw/zinc/35/55/83/719355583.db2.gz OBFWABNWROYINJ-UHFFFAOYSA-N 1 2 428.584 4.439 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C3CCC3)ncn1)CC2 ZINC001164658975 719355586 /nfs/dbraw/zinc/35/55/86/719355586.db2.gz OBFWABNWROYINJ-UHFFFAOYSA-N 1 2 428.584 4.439 20 0 IIADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676659 719566785 /nfs/dbraw/zinc/56/67/85/719566785.db2.gz KXDMSUNIXJAADW-UHFFFAOYSA-N 1 2 442.857 4.137 20 0 IIADLO FC(F)(c1cc(Cl)cnc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869058 721217937 /nfs/dbraw/zinc/21/79/37/721217937.db2.gz BGGXLADRCPYWQH-UHFFFAOYSA-N 1 2 429.298 4.204 20 0 IIADLO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767065 721274695 /nfs/dbraw/zinc/27/46/95/721274695.db2.gz FHTHAUWZNRBQLM-AWEZNQCLSA-N 1 2 444.873 4.068 20 0 IIADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164787496 721428225 /nfs/dbraw/zinc/42/82/25/721428225.db2.gz RPYHUZFWHPLETM-HOTGVXAUSA-N 1 2 447.942 4.367 20 0 IIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H]5CCC[C@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796625 721505153 /nfs/dbraw/zinc/50/51/53/721505153.db2.gz URLGWTILGMWHJJ-AJTFRIOCSA-N 1 2 441.579 4.115 20 0 IIADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H]5CCC[C@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796625 721505155 /nfs/dbraw/zinc/50/51/55/721505155.db2.gz URLGWTILGMWHJJ-AJTFRIOCSA-N 1 2 441.579 4.115 20 0 IIADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164812244 721581738 /nfs/dbraw/zinc/58/17/38/721581738.db2.gz ZRJZQOFNMVGIDY-BFLUCZKCSA-N 1 2 443.595 4.098 20 0 IIADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@H]2CCCO[C@@H]12 ZINC001164812244 721581739 /nfs/dbraw/zinc/58/17/39/721581739.db2.gz ZRJZQOFNMVGIDY-BFLUCZKCSA-N 1 2 443.595 4.098 20 0 IIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164948211 721974432 /nfs/dbraw/zinc/97/44/32/721974432.db2.gz VGVLYNYCZYPENQ-UHFFFAOYSA-N 1 2 439.774 4.013 20 0 IIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164948211 721974433 /nfs/dbraw/zinc/97/44/33/721974433.db2.gz VGVLYNYCZYPENQ-UHFFFAOYSA-N 1 2 439.774 4.013 20 0 IIADLO FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053201 722011442 /nfs/dbraw/zinc/01/14/42/722011442.db2.gz AVIMEDVBDRCRES-UHFFFAOYSA-N 1 2 438.309 4.241 20 0 IIADLO Fc1ccc(-c2cc(C(F)(F)N3CC[NH+](CCc4ccccn4)CC3)c(Cl)nn2)cc1 ZINC001165055551 722021075 /nfs/dbraw/zinc/02/10/75/722021075.db2.gz PSNHREIFJBFQKI-UHFFFAOYSA-N 1 2 447.892 4.241 20 0 IIADLO Fc1ccccc1-c1cc(C(F)(F)N2CC[NH+](CCc3ccccn3)CC2)c(Cl)nn1 ZINC001165056178 722021087 /nfs/dbraw/zinc/02/10/87/722021087.db2.gz YQDMAMOVSYYFMV-UHFFFAOYSA-N 1 2 447.892 4.241 20 0 IIADLO COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)c2cc1F ZINC001164989697 722186447 /nfs/dbraw/zinc/18/64/47/722186447.db2.gz PSRATYLSQRPWMN-RTWAWAEBSA-N 1 2 442.560 4.017 20 0 IIADLO O=c1nc(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)[nH]c2scc(-c3ccco3)c21 ZINC001560100000 1126207336 /nfs/dbraw/zinc/20/73/36/1126207336.db2.gz CAVMBVVTPVDZAH-KDOFPFPSSA-N 1 2 449.454 4.281 20 0 IIADLO O[C@@H](Cc1ccccc1)CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022925307 563025863 /nfs/dbraw/zinc/02/58/63/563025863.db2.gz ZZHKHRXDQLQSFW-MHZLTWQESA-N 1 2 430.592 4.014 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3ccoc31)CC2 ZINC001164661618 719345697 /nfs/dbraw/zinc/34/56/97/719345697.db2.gz LUOKEQWRSOVHOE-UHFFFAOYSA-N 1 2 428.540 4.226 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)nc3ccoc31)CC2 ZINC001164661618 719345700 /nfs/dbraw/zinc/34/57/00/719345700.db2.gz LUOKEQWRSOVHOE-UHFFFAOYSA-N 1 2 428.540 4.226 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)cc(Cl)n1)CC2 ZINC001164663565 719349224 /nfs/dbraw/zinc/34/92/24/719349224.db2.gz KSOAWQYPXSORGA-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)cc(Cl)n1)CC2 ZINC001164663565 719349226 /nfs/dbraw/zinc/34/92/26/719349226.db2.gz KSOAWQYPXSORGA-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164659577 719352973 /nfs/dbraw/zinc/35/29/73/719352973.db2.gz QWQNULMSYKGUTC-UHFFFAOYSA-N 1 2 447.974 4.306 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccc(Cl)nc3[nH]1)CC2 ZINC001164659577 719352975 /nfs/dbraw/zinc/35/29/75/719352975.db2.gz QWQNULMSYKGUTC-UHFFFAOYSA-N 1 2 447.974 4.306 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(OCC(C)C)n1)CC2 ZINC001164658573 719353615 /nfs/dbraw/zinc/35/36/15/719353615.db2.gz JJTQUULSZLDENO-UHFFFAOYSA-N 1 2 446.599 4.206 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cncc(OCC(C)C)n1)CC2 ZINC001164658573 719353618 /nfs/dbraw/zinc/35/36/18/719353618.db2.gz JJTQUULSZLDENO-UHFFFAOYSA-N 1 2 446.599 4.206 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cnc4c(Cl)cccc4n2)CC3)cc1 ZINC001164674444 719502423 /nfs/dbraw/zinc/50/24/23/719502423.db2.gz XMYMLMFIVHXGMR-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cnc4c(Cl)cccc4n2)CC3)cc1 ZINC001164674444 719502431 /nfs/dbraw/zinc/50/24/31/719502431.db2.gz XMYMLMFIVHXGMR-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO CC(C)(C)OC(=O)c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673202 719508589 /nfs/dbraw/zinc/50/85/89/719508589.db2.gz PRPFXZGWAHESNT-UHFFFAOYSA-N 1 2 441.547 4.047 20 0 IIADLO CC(C)(C)OC(=O)c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164673202 719508606 /nfs/dbraw/zinc/50/86/06/719508606.db2.gz PRPFXZGWAHESNT-UHFFFAOYSA-N 1 2 441.547 4.047 20 0 IIADLO COc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)cc1 ZINC001164673993 719521733 /nfs/dbraw/zinc/52/17/33/719521733.db2.gz XLNUPXKKTBCQRL-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO COc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)cc1 ZINC001164673993 719521740 /nfs/dbraw/zinc/52/17/40/719521740.db2.gz XLNUPXKKTBCQRL-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO COC(=O)c1cccc2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)ccc21 ZINC001164677891 719527767 /nfs/dbraw/zinc/52/77/67/719527767.db2.gz HZMSTYLMJWJNJZ-UHFFFAOYSA-N 1 2 449.526 4.032 20 0 IIADLO COC(=O)c1cccc2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)ccc21 ZINC001164677891 719527777 /nfs/dbraw/zinc/52/77/77/719527777.db2.gz HZMSTYLMJWJNJZ-UHFFFAOYSA-N 1 2 449.526 4.032 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4[nH]c5cc(F)ccc5c42)CC3)cc1 ZINC001164677796 719532903 /nfs/dbraw/zinc/53/29/03/719532903.db2.gz GRSZDBKRTIAMCK-UHFFFAOYSA-N 1 2 449.505 4.261 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4[nH]c5cc(F)ccc5c42)CC3)cc1 ZINC001164677796 719532909 /nfs/dbraw/zinc/53/29/09/719532909.db2.gz GRSZDBKRTIAMCK-UHFFFAOYSA-N 1 2 449.505 4.261 20 0 IIADLO FC(F)(Oc1ccc(Cl)nc1Cl)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164755871 720983292 /nfs/dbraw/zinc/98/32/92/720983292.db2.gz CMNKBHMGVGUWHS-CYBMUJFWSA-N 1 2 433.286 4.073 20 0 IIADLO FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869023 721218476 /nfs/dbraw/zinc/21/84/76/721218476.db2.gz AGGFVOROAUYKFV-UHFFFAOYSA-N 1 2 433.890 4.032 20 0 IIADLO CSc1ccc(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1Cl ZINC001164869672 721219580 /nfs/dbraw/zinc/21/95/80/721219580.db2.gz DQYDMTJCOBVNKA-UHFFFAOYSA-N 1 2 440.947 4.273 20 0 IIADLO FC(F)(c1cnc(Cl)cc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767624 721272272 /nfs/dbraw/zinc/27/22/72/721272272.db2.gz SAGKESWZBRWJDK-ZDUSSCGKSA-N 1 2 440.281 4.240 20 0 IIADLO FC(F)(c1cc(Cl)nc(Cl)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766940 721272435 /nfs/dbraw/zinc/27/24/35/721272435.db2.gz PIWDQWRTTIYFRN-CYBMUJFWSA-N 1 2 440.281 4.240 20 0 IIADLO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164785450 721434910 /nfs/dbraw/zinc/43/49/10/721434910.db2.gz NJOWKKXFGYDACM-GHMZBOCLSA-N 1 2 438.853 4.323 20 0 IIADLO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC001462473096 1126197585 /nfs/dbraw/zinc/19/75/85/1126197585.db2.gz NADLZIMAQINOPR-QGZVFWFLSA-N 1 2 447.142 4.140 20 0 IIADLO COC(=O)c1ccc2nc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)ccc2c1 ZINC001164673880 719504070 /nfs/dbraw/zinc/50/40/70/719504070.db2.gz SYFZOLNMIYUPDD-UHFFFAOYSA-N 1 2 449.526 4.032 20 0 IIADLO COC(=O)c1ccc2nc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)ccc2c1 ZINC001164673880 719504081 /nfs/dbraw/zinc/50/40/81/719504081.db2.gz SYFZOLNMIYUPDD-UHFFFAOYSA-N 1 2 449.526 4.032 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc4nccc(Cl)c4n2)CC3)cc1 ZINC001164672779 719519158 /nfs/dbraw/zinc/51/91/58/719519158.db2.gz NUYNSWBUAKSHHN-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc4nccc(Cl)c4n2)CC3)cc1 ZINC001164672779 719519162 /nfs/dbraw/zinc/51/91/62/719519162.db2.gz NUYNSWBUAKSHHN-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164707212 719867029 /nfs/dbraw/zinc/86/70/29/719867029.db2.gz RIIJGUPIYDVBQU-ZBLYBZFDSA-N 1 2 445.563 4.135 20 0 IIADLO Clc1ccc(CN2CCCC2)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696178 719893663 /nfs/dbraw/zinc/89/36/63/719893663.db2.gz AONVTFYSVKPMKN-UHFFFAOYSA-N 1 2 447.048 4.264 20 0 IIADLO Clc1ccc(CN2CCCC2)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164696178 719893665 /nfs/dbraw/zinc/89/36/65/719893665.db2.gz AONVTFYSVKPMKN-UHFFFAOYSA-N 1 2 447.048 4.264 20 0 IIADLO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870204 721221943 /nfs/dbraw/zinc/22/19/43/721221943.db2.gz GINZESBBDNZMMC-UHFFFAOYSA-N 1 2 445.297 4.084 20 0 IIADLO FC(F)(Oc1ccc(Cl)nc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164872025 721222737 /nfs/dbraw/zinc/22/27/37/721222737.db2.gz MMUWMZIBKACLFN-UHFFFAOYSA-N 1 2 445.297 4.084 20 0 IIADLO Cc1nc(-c2ccccc2Cl)nc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1C ZINC001165010534 721716214 /nfs/dbraw/zinc/71/62/14/721716214.db2.gz IMIXXTGOEGRBGD-UHFFFAOYSA-N 1 2 439.995 4.256 20 0 IIADLO Cc1nc(-c2ccccc2Cl)nc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1C ZINC001165010534 721716222 /nfs/dbraw/zinc/71/62/22/721716222.db2.gz IMIXXTGOEGRBGD-UHFFFAOYSA-N 1 2 439.995 4.256 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC001164917341 721813765 /nfs/dbraw/zinc/81/37/65/721813765.db2.gz LNDIDTIDXGREFG-UHFFFAOYSA-N 1 2 430.581 4.304 20 0 IIADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(C5CCCCC5)[nH+]c(C)n4)CC[C@H]32)cs1 ZINC001164987642 722184749 /nfs/dbraw/zinc/18/47/49/722184749.db2.gz LCZQREPXCZGAGM-PKTZIBPZSA-N 1 2 441.645 4.467 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(Cl)c(C)n1)CC2 ZINC001164658583 719351663 /nfs/dbraw/zinc/35/16/63/719351663.db2.gz JQMSJOVEZIDOLQ-UHFFFAOYSA-N 1 2 436.991 4.442 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(Cl)c(C)n1)CC2 ZINC001164658583 719351666 /nfs/dbraw/zinc/35/16/66/719351666.db2.gz JQMSJOVEZIDOLQ-UHFFFAOYSA-N 1 2 436.991 4.442 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccnc(Cc4ccccc4)n2)CC3)cc1 ZINC001164678804 719524920 /nfs/dbraw/zinc/52/49/20/719524920.db2.gz NYWQYLYOTSNYFL-UHFFFAOYSA-N 1 2 432.543 4.078 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccnc(Cc4ccccc4)n2)CC3)cc1 ZINC001164678804 719524936 /nfs/dbraw/zinc/52/49/36/719524936.db2.gz NYWQYLYOTSNYFL-UHFFFAOYSA-N 1 2 432.543 4.078 20 0 IIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc2ccccc2nc1Cl ZINC001164721952 720315040 /nfs/dbraw/zinc/31/50/40/720315040.db2.gz JCVQEMDALLCKLZ-IBGZPJMESA-N 1 2 447.917 4.450 20 0 IIADLO FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164872662 721219906 /nfs/dbraw/zinc/21/99/06/721219906.db2.gz NWQOZGCEKHOVNI-UHFFFAOYSA-N 1 2 445.901 4.099 20 0 IIADLO FC(F)(c1cc(Cl)nc(Cl)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766944 721272548 /nfs/dbraw/zinc/27/25/48/721272548.db2.gz PIWDQWRTTIYFRN-ZDUSSCGKSA-N 1 2 440.281 4.240 20 0 IIADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164783688 721433451 /nfs/dbraw/zinc/43/34/51/721433451.db2.gz JJTQJNKDVKHEIJ-HZPDHXFCSA-N 1 2 447.942 4.367 20 0 IIADLO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785526 721434666 /nfs/dbraw/zinc/43/46/66/721434666.db2.gz NJOWKKXFGYDACM-PHIMTYICSA-N 1 2 438.853 4.323 20 0 IIADLO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785526 721434669 /nfs/dbraw/zinc/43/46/69/721434669.db2.gz NJOWKKXFGYDACM-PHIMTYICSA-N 1 2 438.853 4.323 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001165008195 721712705 /nfs/dbraw/zinc/71/27/05/721712705.db2.gz CJCRWVBYGVGBKU-UHFFFAOYSA-N 1 2 441.583 4.063 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nnc(Cc3ccccc3)c3ccccc31)C2 ZINC001165008195 721712708 /nfs/dbraw/zinc/71/27/08/721712708.db2.gz CJCRWVBYGVGBKU-UHFFFAOYSA-N 1 2 441.583 4.063 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)C2 ZINC001165008649 721713547 /nfs/dbraw/zinc/71/35/47/721713547.db2.gz KKGPGYHABDDBEW-UHFFFAOYSA-N 1 2 445.546 4.278 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)C2 ZINC001165008649 721713557 /nfs/dbraw/zinc/71/35/57/721713557.db2.gz KKGPGYHABDDBEW-UHFFFAOYSA-N 1 2 445.546 4.278 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)C2 ZINC001165009553 721713647 /nfs/dbraw/zinc/71/36/47/721713647.db2.gz UUVMVBQSXJTEOW-UHFFFAOYSA-N 1 2 445.546 4.278 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)C2 ZINC001165009553 721713649 /nfs/dbraw/zinc/71/36/49/721713649.db2.gz UUVMVBQSXJTEOW-UHFFFAOYSA-N 1 2 445.546 4.278 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001165011736 721716891 /nfs/dbraw/zinc/71/68/91/721716891.db2.gz SUUJLDWIZMDUPR-UHFFFAOYSA-N 1 2 434.922 4.275 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001165011736 721716895 /nfs/dbraw/zinc/71/68/95/721716895.db2.gz SUUJLDWIZMDUPR-UHFFFAOYSA-N 1 2 434.922 4.275 20 0 IIADLO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Br)c(O)c(Br)c2)cc1C ZINC001621377007 1126246557 /nfs/dbraw/zinc/24/65/57/1126246557.db2.gz UUFLROYYKGMHPM-HNNXBMFYSA-N 1 2 443.179 4.227 20 0 IIADLO FC(F)(c1cccc(Cl)n1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419789 718889559 /nfs/dbraw/zinc/88/95/59/718889559.db2.gz RCQGOEDWDMMJDJ-GFCCVEGCSA-N 1 2 443.679 4.268 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(F)ccc31)CC2 ZINC001164663912 719346991 /nfs/dbraw/zinc/34/69/91/719346991.db2.gz OZGNZEZFEBZOIL-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cc(F)ccc31)CC2 ZINC001164663912 719346992 /nfs/dbraw/zinc/34/69/92/719346992.db2.gz OZGNZEZFEBZOIL-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164664491 719349350 /nfs/dbraw/zinc/34/93/50/719349350.db2.gz VVRSTEONJJAGEW-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3ccc(F)cc3n1)CC2 ZINC001164664491 719349353 /nfs/dbraw/zinc/34/93/53/719349353.db2.gz VVRSTEONJJAGEW-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO COc1cccc(-c2ccnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)n2)c1 ZINC001164673925 719517123 /nfs/dbraw/zinc/51/71/23/719517123.db2.gz TWOXALHKTZRQKS-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO COc1cccc(-c2ccnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)n2)c1 ZINC001164673925 719517131 /nfs/dbraw/zinc/51/71/31/719517131.db2.gz TWOXALHKTZRQKS-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO FC(F)(c1ccc2ncc(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757724 720974598 /nfs/dbraw/zinc/97/45/98/720974598.db2.gz PXGABDMUFCMPSQ-OAHLLOKOSA-N 1 2 433.890 4.088 20 0 IIADLO CSc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)nc1Cl ZINC001164758971 720978215 /nfs/dbraw/zinc/97/82/15/720978215.db2.gz XSYKYIRERGUYBI-AWEZNQCLSA-N 1 2 428.936 4.261 20 0 IIADLO FC(F)(c1cnc(Cl)cc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767620 721271834 /nfs/dbraw/zinc/27/18/34/721271834.db2.gz SAGKESWZBRWJDK-CYBMUJFWSA-N 1 2 440.281 4.240 20 0 IIADLO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164781193 721416890 /nfs/dbraw/zinc/41/68/90/721416890.db2.gz CQBINDCDRJZXFS-HZPDHXFCSA-N 1 2 447.942 4.367 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001165010460 721717301 /nfs/dbraw/zinc/71/73/01/721717301.db2.gz HNMKNNRHEFZVAF-UHFFFAOYSA-N 1 2 427.556 4.139 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(-c3cccc4ccccc43)nn1)C2 ZINC001165010460 721717303 /nfs/dbraw/zinc/71/73/03/721717303.db2.gz HNMKNNRHEFZVAF-UHFFFAOYSA-N 1 2 427.556 4.139 20 0 IIADLO Cc1ccccc1Oc1nc(Cl)ncc1N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001165011836 721720784 /nfs/dbraw/zinc/72/07/84/721720784.db2.gz WJNBRDSBICDZFD-UHFFFAOYSA-N 1 2 441.967 4.073 20 0 IIADLO Cc1ccccc1Oc1nc(Cl)ncc1N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001165011836 721720789 /nfs/dbraw/zinc/72/07/89/721720789.db2.gz WJNBRDSBICDZFD-UHFFFAOYSA-N 1 2 441.967 4.073 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2ccccc2F)CC1 ZINC001164919426 721821025 /nfs/dbraw/zinc/82/10/25/721821025.db2.gz QIRIIRASTMYWKJ-UHFFFAOYSA-N 1 2 442.926 4.007 20 0 IIADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C5CCCCC5)[nH+]c(C)n4)CC[C@H]32)cs1 ZINC001164987640 722184804 /nfs/dbraw/zinc/18/48/04/722184804.db2.gz LCZQREPXCZGAGM-DHIUTWEWSA-N 1 2 441.645 4.467 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(OC)cc1Cl)CC2 ZINC001164658198 719351715 /nfs/dbraw/zinc/35/17/15/719351715.db2.gz FMMZVKVWQRLPRI-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(OC)cc1Cl)CC2 ZINC001164658198 719351719 /nfs/dbraw/zinc/35/17/19/719351719.db2.gz FMMZVKVWQRLPRI-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(C)(C)C)ncn1)CC2 ZINC001164660634 719353909 /nfs/dbraw/zinc/35/39/09/719353909.db2.gz WGVDPPUBNMQUCP-UHFFFAOYSA-N 1 2 430.600 4.469 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C(C)(C)C)ncn1)CC2 ZINC001164660634 719353912 /nfs/dbraw/zinc/35/39/12/719353912.db2.gz WGVDPPUBNMQUCP-UHFFFAOYSA-N 1 2 430.600 4.469 20 0 IIADLO COC(=O)c1ccc2ccnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164672318 719504854 /nfs/dbraw/zinc/50/48/54/719504854.db2.gz KFQPANITJMJMIH-UHFFFAOYSA-N 1 2 449.526 4.032 20 0 IIADLO COC(=O)c1ccc2ccnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1 ZINC001164672318 719504857 /nfs/dbraw/zinc/50/48/57/719504857.db2.gz KFQPANITJMJMIH-UHFFFAOYSA-N 1 2 449.526 4.032 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(-c4nc(C5CC5)no4)ccn2)CC3)cc1 ZINC001164678458 719528346 /nfs/dbraw/zinc/52/83/46/719528346.db2.gz LFFFXBKNMRNEOT-UHFFFAOYSA-N 1 2 449.530 4.020 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(-c4nc(C5CC5)no4)ccn2)CC3)cc1 ZINC001164678458 719528353 /nfs/dbraw/zinc/52/83/53/719528353.db2.gz LFFFXBKNMRNEOT-UHFFFAOYSA-N 1 2 449.530 4.020 20 0 IIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164723250 720315391 /nfs/dbraw/zinc/31/53/91/720315391.db2.gz MYIQLGXEXIQHHY-GOSISDBHSA-N 1 2 447.917 4.450 20 0 IIADLO FC(F)(c1nc(Cl)c2ccccc2n1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757082 720973576 /nfs/dbraw/zinc/97/35/76/720973576.db2.gz MMUQNXPRXRLACT-OAHLLOKOSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(c1ccnc(Cl)c1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164765816 721272427 /nfs/dbraw/zinc/27/24/27/721272427.db2.gz LDSINIRZAUDLPY-ZDUSSCGKSA-N 1 2 440.281 4.240 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001165008987 721707803 /nfs/dbraw/zinc/70/78/03/721707803.db2.gz MKKKBMWESDCJBA-UHFFFAOYSA-N 1 2 434.922 4.275 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cccc3ccnc(Cl)c31)C2 ZINC001165008987 721707805 /nfs/dbraw/zinc/70/78/05/721707805.db2.gz MKKKBMWESDCJBA-UHFFFAOYSA-N 1 2 434.922 4.275 20 0 IIADLO FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165015942 721768271 /nfs/dbraw/zinc/76/82/71/721768271.db2.gz TYRGPIIWWJALFR-UHFFFAOYSA-N 1 2 441.829 4.014 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccccc3Cl)nc(C)c2C)CC1 ZINC001164918633 721820139 /nfs/dbraw/zinc/82/01/39/721820139.db2.gz GGCVCLJYRSTKEL-UHFFFAOYSA-N 1 2 436.991 4.360 20 0 IIADLO FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056570 722013544 /nfs/dbraw/zinc/01/35/44/722013544.db2.gz WMSLXGKSBIPJBC-UHFFFAOYSA-N 1 2 438.309 4.241 20 0 IIADLO COc1cc2cc[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)c2cc1F ZINC001164989696 722186426 /nfs/dbraw/zinc/18/64/26/722186426.db2.gz PSRATYLSQRPWMN-NHCUHLMSSA-N 1 2 442.560 4.017 20 0 IIADLO FC(F)(c1ccc(Cl)nc1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420361 718889680 /nfs/dbraw/zinc/88/96/80/718889680.db2.gz UQMHXHSWMUDMLK-ZDUSSCGKSA-N 1 2 443.679 4.268 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(OC)ccc1Cl)CC2 ZINC001164658986 719350483 /nfs/dbraw/zinc/35/04/83/719350483.db2.gz OPXUOYHZHHXKRG-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(OC)ccc1Cl)CC2 ZINC001164658986 719350484 /nfs/dbraw/zinc/35/04/84/719350484.db2.gz OPXUOYHZHHXKRG-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3nc(C)cnc31)CC2 ZINC001164660596 719355185 /nfs/dbraw/zinc/35/51/85/719355185.db2.gz VWMPMCKJCJCBRX-UHFFFAOYSA-N 1 2 439.567 4.028 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3nc(C)cnc31)CC2 ZINC001164660596 719355188 /nfs/dbraw/zinc/35/51/88/719355188.db2.gz VWMPMCKJCJCBRX-UHFFFAOYSA-N 1 2 439.567 4.028 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc4c(Cl)ccnc42)CC3)cc1 ZINC001164673644 719498646 /nfs/dbraw/zinc/49/86/46/719498646.db2.gz QGNIEIXBDDFSGM-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc4c(Cl)ccnc42)CC3)cc1 ZINC001164673644 719498652 /nfs/dbraw/zinc/49/86/52/719498652.db2.gz QGNIEIXBDDFSGM-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc4nc(Cl)cnc4cc2F)CC3)cc1 ZINC001164678741 719526529 /nfs/dbraw/zinc/52/65/29/719526529.db2.gz MYFQSFWWJULVKR-UHFFFAOYSA-N 1 2 444.913 4.433 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc4nc(Cl)cnc4cc2F)CC3)cc1 ZINC001164678741 719526535 /nfs/dbraw/zinc/52/65/35/719526535.db2.gz MYFQSFWWJULVKR-UHFFFAOYSA-N 1 2 444.913 4.433 20 0 IIADLO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677931 719563580 /nfs/dbraw/zinc/56/35/80/719563580.db2.gz SKOYPYPSWIHGAN-UHFFFAOYSA-N 1 2 442.857 4.137 20 0 IIADLO CSc1cnc(Cl)c(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)c1 ZINC001164721047 720316048 /nfs/dbraw/zinc/31/60/48/720316048.db2.gz DEPBCFFDGWDPMW-MRXNPFEDSA-N 1 2 443.951 4.019 20 0 IIADLO CSc1cnc(Cl)c(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@@H]2CNC(C)=O)c1 ZINC001164721046 720316472 /nfs/dbraw/zinc/31/64/72/720316472.db2.gz DEPBCFFDGWDPMW-INIZCTEOSA-N 1 2 443.951 4.019 20 0 IIADLO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770642 721275713 /nfs/dbraw/zinc/27/57/13/721275713.db2.gz VQEYTNPFZNQREU-AWEZNQCLSA-N 1 2 444.873 4.068 20 0 IIADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164787498 721428128 /nfs/dbraw/zinc/42/81/28/721428128.db2.gz RPYHUZFWHPLETM-HZPDHXFCSA-N 1 2 447.942 4.367 20 0 IIADLO FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165013964 721768365 /nfs/dbraw/zinc/76/83/65/721768365.db2.gz CBHHYOAZUDMEOB-UHFFFAOYSA-N 1 2 441.829 4.014 20 0 IIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cccc3ccnc(Cl)c32)CC1 ZINC001164918587 721816911 /nfs/dbraw/zinc/81/69/11/721816911.db2.gz PZKLUYQVLMWKNC-UHFFFAOYSA-N 1 2 431.918 4.379 20 0 IIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cccc3ccnc(Cl)c32)CC1 ZINC001164918587 721816912 /nfs/dbraw/zinc/81/69/12/721816912.db2.gz PZKLUYQVLMWKNC-UHFFFAOYSA-N 1 2 431.918 4.379 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2cccc(F)c2)CC1 ZINC001164918237 721821078 /nfs/dbraw/zinc/82/10/78/721821078.db2.gz DMAFHQHXVUQXKO-UHFFFAOYSA-N 1 2 442.926 4.007 20 0 IIADLO CC(C)(c1ccnc(Cl)c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419978 718891048 /nfs/dbraw/zinc/89/10/48/718891048.db2.gz SQCBKJBUYDSZLY-HNNXBMFYSA-N 1 2 435.753 4.454 20 0 IIADLO CCc1ncnc(Cl)c1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164663555 719347020 /nfs/dbraw/zinc/34/70/20/719347020.db2.gz KKPGZLSESJKQRZ-UHFFFAOYSA-N 1 2 436.991 4.387 20 0 IIADLO CCc1ncnc(Cl)c1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164663555 719347021 /nfs/dbraw/zinc/34/70/21/719347021.db2.gz KKPGZLSESJKQRZ-UHFFFAOYSA-N 1 2 436.991 4.387 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cl)c(OC)n1)CC2 ZINC001164659732 719352694 /nfs/dbraw/zinc/35/26/94/719352694.db2.gz RVCZPVCCQCJDNG-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(Cl)c(OC)n1)CC2 ZINC001164659732 719352697 /nfs/dbraw/zinc/35/26/97/719352697.db2.gz RVCZPVCCQCJDNG-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CCc1cc(CC)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164664162 719356331 /nfs/dbraw/zinc/35/63/31/719356331.db2.gz LDORAWJYFSGYGU-UHFFFAOYSA-N 1 2 430.600 4.296 20 0 IIADLO CCc1cc(CC)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164664162 719356333 /nfs/dbraw/zinc/35/63/33/719356333.db2.gz LDORAWJYFSGYGU-UHFFFAOYSA-N 1 2 430.600 4.296 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cnc4cc(Cl)ccc4n2)CC3)cc1 ZINC001164674429 719504197 /nfs/dbraw/zinc/50/41/97/719504197.db2.gz XFIZCXXBCJWEEH-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cnc4cc(Cl)ccc4n2)CC3)cc1 ZINC001164674429 719504211 /nfs/dbraw/zinc/50/42/11/719504211.db2.gz XFIZCXXBCJWEEH-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(-c4ccccc4F)nn2)CC3)cc1 ZINC001164678090 719525416 /nfs/dbraw/zinc/52/54/16/719525416.db2.gz IVPYENQPEYOAHU-UHFFFAOYSA-N 1 2 436.506 4.293 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(-c4ccccc4F)nn2)CC3)cc1 ZINC001164678090 719525427 /nfs/dbraw/zinc/52/54/27/719525427.db2.gz IVPYENQPEYOAHU-UHFFFAOYSA-N 1 2 436.506 4.293 20 0 IIADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164757302 720976028 /nfs/dbraw/zinc/97/60/28/720976028.db2.gz NYBJBFYQHGGNPP-OAHLLOKOSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758544 720983171 /nfs/dbraw/zinc/98/31/71/720983171.db2.gz WABJWLKFZQXHKA-ZDUSSCGKSA-N 1 2 433.286 4.073 20 0 IIADLO FC(F)(Oc1cc(Cl)nc(Cl)c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758543 720983442 /nfs/dbraw/zinc/98/34/42/720983442.db2.gz WABJWLKFZQXHKA-CYBMUJFWSA-N 1 2 433.286 4.073 20 0 IIADLO FC(F)(c1ccc(Cl)nc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164872901 721216953 /nfs/dbraw/zinc/21/69/53/721216953.db2.gz OXEYSMRDGLCTQU-UHFFFAOYSA-N 1 2 429.298 4.204 20 0 IIADLO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871304 721222658 /nfs/dbraw/zinc/22/26/58/721222658.db2.gz JRJPVRHURLRWOP-UHFFFAOYSA-N 1 2 434.918 4.428 20 0 IIADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164812252 721581445 /nfs/dbraw/zinc/58/14/45/721581445.db2.gz ZRJZQOFNMVGIDY-GSLIJJQTSA-N 1 2 443.595 4.098 20 0 IIADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@H]2CCCO[C@H]12 ZINC001164812252 721581449 /nfs/dbraw/zinc/58/14/49/721581449.db2.gz ZRJZQOFNMVGIDY-GSLIJJQTSA-N 1 2 443.595 4.098 20 0 IIADLO COc1cc2cc[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c2cc1F ZINC001164989694 722186463 /nfs/dbraw/zinc/18/64/63/722186463.db2.gz PSRATYLSQRPWMN-LEWJYISDSA-N 1 2 442.560 4.017 20 0 IIADLO O=c1nc(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)[nH]c2scc(-c3ccco3)c21 ZINC001560100001 1126207419 /nfs/dbraw/zinc/20/74/19/1126207419.db2.gz CAVMBVVTPVDZAH-KSSFIOAISA-N 1 2 449.454 4.281 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(F)nc(F)nc1Cl)CC2 ZINC001164659606 719353514 /nfs/dbraw/zinc/35/35/14/719353514.db2.gz RGICXIAJOUOBMK-UHFFFAOYSA-N 1 2 444.917 4.103 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(F)nc(F)nc1Cl)CC2 ZINC001164659606 719353516 /nfs/dbraw/zinc/35/35/16/719353516.db2.gz RGICXIAJOUOBMK-UHFFFAOYSA-N 1 2 444.917 4.103 20 0 IIADLO CCc1c(Cl)ncnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@H+]2CC ZINC001164660664 719354808 /nfs/dbraw/zinc/35/48/08/719354808.db2.gz WQUSZUHJUQSCES-UHFFFAOYSA-N 1 2 436.991 4.387 20 0 IIADLO CCc1c(Cl)ncnc1N1CCC2(CC1)c1ncc(-c3ccccc3)n1CC[N@@H+]2CC ZINC001164660664 719354811 /nfs/dbraw/zinc/35/48/11/719354811.db2.gz WQUSZUHJUQSCES-UHFFFAOYSA-N 1 2 436.991 4.387 20 0 IIADLO CCCN(CCC)c1cncc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164674057 719517608 /nfs/dbraw/zinc/51/76/08/719517608.db2.gz ZLQUQGJCSRYJIZ-UHFFFAOYSA-N 1 2 441.595 4.114 20 0 IIADLO CCCN(CCC)c1cncc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164674057 719517618 /nfs/dbraw/zinc/51/76/18/719517618.db2.gz ZLQUQGJCSRYJIZ-UHFFFAOYSA-N 1 2 441.595 4.114 20 0 IIADLO COc1cccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)c1 ZINC001164673342 719522934 /nfs/dbraw/zinc/52/29/34/719522934.db2.gz PFDOCMOOKFTEGS-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO COc1cccc(-c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)c1 ZINC001164673342 719522956 /nfs/dbraw/zinc/52/29/56/719522956.db2.gz PFDOCMOOKFTEGS-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cncc(OCC4CCCC4)n2)CC3)cc1 ZINC001164677271 719530941 /nfs/dbraw/zinc/53/09/41/719530941.db2.gz CEEYEADYJWAGFW-UHFFFAOYSA-N 1 2 440.563 4.056 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cncc(OCC4CCCC4)n2)CC3)cc1 ZINC001164677271 719530962 /nfs/dbraw/zinc/53/09/62/719530962.db2.gz CEEYEADYJWAGFW-UHFFFAOYSA-N 1 2 440.563 4.056 20 0 IIADLO FC(F)(c1cnc(Cl)c(Cl)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871207 721217398 /nfs/dbraw/zinc/21/73/98/721217398.db2.gz JCBKAKQNVHDLOJ-UHFFFAOYSA-N 1 2 429.298 4.204 20 0 IIADLO FC(F)(c1cnc(Cl)c(Cl)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164763704 721272407 /nfs/dbraw/zinc/27/24/07/721272407.db2.gz FGQCLSAHSIFRTP-ZDUSSCGKSA-N 1 2 440.281 4.240 20 0 IIADLO FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770643 721275397 /nfs/dbraw/zinc/27/53/97/721275397.db2.gz VQEYTNPFZNQREU-CQSZACIVSA-N 1 2 444.873 4.068 20 0 IIADLO FC(F)(N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164767112 721276656 /nfs/dbraw/zinc/27/66/56/721276656.db2.gz GLJRQJIUTBGDFI-MRXNPFEDSA-N 1 2 445.901 4.162 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC001164918259 721819555 /nfs/dbraw/zinc/81/95/55/721819555.db2.gz LGPIFBYUIFOUSZ-UHFFFAOYSA-N 1 2 442.542 4.382 20 0 IIADLO O=C([O-])[C@@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426735875 1126084946 /nfs/dbraw/zinc/08/49/46/1126084946.db2.gz HEPJWXKLGWGTFV-HXUWFJFHSA-N 1 2 438.940 4.435 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c2CCCCC4)CC3)cc1 ZINC001164674552 719506099 /nfs/dbraw/zinc/50/60/99/719506099.db2.gz ZTCOKCWKBDBBMH-UHFFFAOYSA-N 1 2 444.982 4.409 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c2CCCCC4)CC3)cc1 ZINC001164674552 719506108 /nfs/dbraw/zinc/50/61/08/719506108.db2.gz ZTCOKCWKBDBBMH-UHFFFAOYSA-N 1 2 444.982 4.409 20 0 IIADLO COc1ccc(-c2cc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)ncn2)cc1 ZINC001164672676 719523335 /nfs/dbraw/zinc/52/33/35/719523335.db2.gz MOMAXYVASWBLKE-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO COc1ccc(-c2cc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)ncn2)cc1 ZINC001164672676 719523341 /nfs/dbraw/zinc/52/33/41/719523341.db2.gz MOMAXYVASWBLKE-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cncc(-c4ccc(F)cc4)n2)CC3)cc1 ZINC001164678454 719531381 /nfs/dbraw/zinc/53/13/81/719531381.db2.gz LFAKBAUCBWUZEU-UHFFFAOYSA-N 1 2 436.506 4.293 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cncc(-c4ccc(F)cc4)n2)CC3)cc1 ZINC001164678454 719531385 /nfs/dbraw/zinc/53/13/85/719531385.db2.gz LFAKBAUCBWUZEU-UHFFFAOYSA-N 1 2 436.506 4.293 20 0 IIADLO FC(F)(c1ccc2c(Cl)ncnc2c1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758942 720973936 /nfs/dbraw/zinc/97/39/36/720973936.db2.gz XIUUNNOAVIRLOV-OAHLLOKOSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(c1nc2ccccc2nc1Cl)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758109 720978719 /nfs/dbraw/zinc/97/87/19/720978719.db2.gz TVDWXZRRUPELJB-OAHLLOKOSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(Oc1ccc(Cl)nc1Cl)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755872 720982650 /nfs/dbraw/zinc/98/26/50/720982650.db2.gz CMNKBHMGVGUWHS-ZDUSSCGKSA-N 1 2 433.286 4.073 20 0 IIADLO CSc1cnc(Cl)c(C(F)(F)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)c1 ZINC001164875756 721219467 /nfs/dbraw/zinc/21/94/67/721219467.db2.gz XNBLDLBJYXEITC-UHFFFAOYSA-N 1 2 440.947 4.273 20 0 IIADLO FC(F)(c1cc(Cl)cnc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164766104 721272153 /nfs/dbraw/zinc/27/21/53/721272153.db2.gz NBBXIEMTJNRWCJ-CYBMUJFWSA-N 1 2 440.281 4.240 20 0 IIADLO FC(F)(c1ccc(Cl)c(Cl)n1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164770653 721274041 /nfs/dbraw/zinc/27/40/41/721274041.db2.gz WFNLBNCIQIHRNR-CYBMUJFWSA-N 1 2 440.281 4.240 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3scc(-c4cccs4)c32)CC1 ZINC001164916463 721813846 /nfs/dbraw/zinc/81/38/46/721813846.db2.gz DZAIMBUKHONPKH-UHFFFAOYSA-N 1 2 436.610 4.366 20 0 IIADLO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC001183145395 1126153122 /nfs/dbraw/zinc/15/31/22/1126153122.db2.gz IGJLUCNHRKPJII-KRWDZBQOSA-N 1 2 447.142 4.140 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccco3)nn1)CC2 ZINC001164658990 719354476 /nfs/dbraw/zinc/35/44/76/719354476.db2.gz OUSOOZXVYJKYLE-UHFFFAOYSA-N 1 2 440.551 4.431 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(-c3ccco3)nn1)CC2 ZINC001164658990 719354481 /nfs/dbraw/zinc/35/44/81/719354481.db2.gz OUSOOZXVYJKYLE-UHFFFAOYSA-N 1 2 440.551 4.431 20 0 IIADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164707209 719866904 /nfs/dbraw/zinc/86/69/04/719866904.db2.gz RIIJGUPIYDVBQU-IDISGSTGSA-N 1 2 445.563 4.135 20 0 IIADLO FC(F)(N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2)C1(c2ccnc(Cl)c2)CC1 ZINC001164872287 721222918 /nfs/dbraw/zinc/22/29/18/721222918.db2.gz MVXOTTXPFILZQW-UHFFFAOYSA-N 1 2 434.918 4.126 20 0 IIADLO FC(F)(c1cc(Cl)ncc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164764601 721271962 /nfs/dbraw/zinc/27/19/62/721271962.db2.gz HMIGBYRGEZLPIK-ZDUSSCGKSA-N 1 2 440.281 4.240 20 0 IIADLO Cc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)c1 ZINC001165011036 721720553 /nfs/dbraw/zinc/72/05/53/721720553.db2.gz MONBJPUZRDJONS-UHFFFAOYSA-N 1 2 441.967 4.073 20 0 IIADLO Cc1cccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)c1 ZINC001165011036 721720555 /nfs/dbraw/zinc/72/05/55/721720555.db2.gz MONBJPUZRDJONS-UHFFFAOYSA-N 1 2 441.967 4.073 20 0 IIADLO Cc1cccc(-c2cc(C(F)(F)N3CC[NH+](CCc4ccccn4)CC3)c(Cl)nn2)c1 ZINC001165054834 722021042 /nfs/dbraw/zinc/02/10/42/722021042.db2.gz FHHXBKBIYDGMKD-UHFFFAOYSA-N 1 2 443.929 4.410 20 0 IIADLO COc1ccc2[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)cc(C)c2c1 ZINC001164994574 722181807 /nfs/dbraw/zinc/18/18/07/722181807.db2.gz ZJWNXAWLMNEYPE-DHIUTWEWSA-N 1 2 438.597 4.187 20 0 IIADLO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676321 719566809 /nfs/dbraw/zinc/56/68/09/719566809.db2.gz AQQMIFDVWLEHEI-UHFFFAOYSA-N 1 2 442.857 4.137 20 0 IIADLO FC(F)(c1cnc(Cl)cc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869063 721218292 /nfs/dbraw/zinc/21/82/92/721218292.db2.gz BJLHNLHGWUJGTB-UHFFFAOYSA-N 1 2 429.298 4.204 20 0 IIADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164872322 721218693 /nfs/dbraw/zinc/21/86/93/721218693.db2.gz NJRBGVCIDXEMQT-UHFFFAOYSA-N 1 2 445.901 4.099 20 0 IIADLO FC(F)(c1ccc(Cl)c(Cl)n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871284 721218789 /nfs/dbraw/zinc/21/87/89/721218789.db2.gz JMQHNDDKZMILDM-UHFFFAOYSA-N 1 2 429.298 4.204 20 0 IIADLO FC(F)(Sc1ccc(Cl)nc1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164767105 721277178 /nfs/dbraw/zinc/27/71/78/721277178.db2.gz GJHTVYQMRNGLAO-AWEZNQCLSA-N 1 2 437.903 4.180 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001165008618 721709821 /nfs/dbraw/zinc/70/98/21/721709821.db2.gz ISOWMJXGUWEONK-UHFFFAOYSA-N 1 2 434.922 4.275 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cccc3c(Cl)nccc31)C2 ZINC001165008618 721709826 /nfs/dbraw/zinc/70/98/26/721709826.db2.gz ISOWMJXGUWEONK-UHFFFAOYSA-N 1 2 434.922 4.275 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC001164917824 721818869 /nfs/dbraw/zinc/81/88/69/721818869.db2.gz IOSNRZJNHAENAX-UHFFFAOYSA-N 1 2 448.571 4.443 20 0 IIADLO Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C5CCCCC5)[nH+]c(C)n4)CC[C@@H]32)cs1 ZINC001164987643 722184775 /nfs/dbraw/zinc/18/47/75/722184775.db2.gz LCZQREPXCZGAGM-XZOQPEGZSA-N 1 2 441.645 4.467 20 0 IIADLO F[C@@H](c1ccnc(Cl)c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416221 718890087 /nfs/dbraw/zinc/89/00/87/718890087.db2.gz CCJXMPJWFRYUTD-SUMWQHHRSA-N 1 2 425.689 4.187 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C(C)(C)C)n1)CC2 ZINC001164663018 719348746 /nfs/dbraw/zinc/34/87/46/719348746.db2.gz CCBGVCZEOWBHPR-UHFFFAOYSA-N 1 2 430.600 4.469 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(C(C)(C)C)n1)CC2 ZINC001164663018 719348749 /nfs/dbraw/zinc/34/87/49/719348749.db2.gz CCBGVCZEOWBHPR-UHFFFAOYSA-N 1 2 430.600 4.469 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(OC(C)(C)C)n1)CC2 ZINC001164658969 719350322 /nfs/dbraw/zinc/35/03/22/719350322.db2.gz NQGYQSJOYWGZDD-UHFFFAOYSA-N 1 2 446.599 4.349 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc(OC(C)(C)C)n1)CC2 ZINC001164658969 719350325 /nfs/dbraw/zinc/35/03/25/719350325.db2.gz NQGYQSJOYWGZDD-UHFFFAOYSA-N 1 2 446.599 4.349 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cccc(F)c31)CC2 ZINC001164660610 719351002 /nfs/dbraw/zinc/35/10/02/719351002.db2.gz WALFDAMZVSLXSG-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3cccc(F)c31)CC2 ZINC001164660610 719351006 /nfs/dbraw/zinc/35/10/06/719351006.db2.gz WALFDAMZVSLXSG-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]ccc(C)c1NC(C)=O)CC2 ZINC001164660516 719353504 /nfs/dbraw/zinc/35/35/04/719353504.db2.gz UQUMLPVXZCJPTH-UHFFFAOYSA-N 1 2 444.583 4.043 20 0 IIADLO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164670249 719514597 /nfs/dbraw/zinc/51/45/97/719514597.db2.gz CAHIUOKCRXFHFX-UHFFFAOYSA-N 1 2 449.526 4.032 20 0 IIADLO COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164670249 719514606 /nfs/dbraw/zinc/51/46/06/719514606.db2.gz CAHIUOKCRXFHFX-UHFFFAOYSA-N 1 2 449.526 4.032 20 0 IIADLO Cc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)cc1 ZINC001164673323 719521416 /nfs/dbraw/zinc/52/14/16/719521416.db2.gz OGQVHYJVNIADOW-UHFFFAOYSA-N 1 2 432.543 4.463 20 0 IIADLO Cc1ccc(-c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)cc1 ZINC001164673323 719521423 /nfs/dbraw/zinc/52/14/23/719521423.db2.gz OGQVHYJVNIADOW-UHFFFAOYSA-N 1 2 432.543 4.463 20 0 IIADLO Cc1nc(C2CC2)nc(Cl)c1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672760 719524196 /nfs/dbraw/zinc/52/41/96/719524196.db2.gz NQYSAGWUUXSDIO-UHFFFAOYSA-N 1 2 430.955 4.326 20 0 IIADLO Cc1nc(C2CC2)nc(Cl)c1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672760 719524211 /nfs/dbraw/zinc/52/42/11/719524211.db2.gz NQYSAGWUUXSDIO-UHFFFAOYSA-N 1 2 430.955 4.326 20 0 IIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164723794 720315617 /nfs/dbraw/zinc/31/56/17/720315617.db2.gz PGGNSJZLDNPTRZ-LJQANCHMSA-N 1 2 447.917 4.450 20 0 IIADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164783687 721433289 /nfs/dbraw/zinc/43/32/89/721433289.db2.gz JJTQJNKDVKHEIJ-HOTGVXAUSA-N 1 2 447.942 4.367 20 0 IIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5CCC[C@@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796627 721505145 /nfs/dbraw/zinc/50/51/45/721505145.db2.gz URLGWTILGMWHJJ-CUNXSJBXSA-N 1 2 441.579 4.115 20 0 IIADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5CCC[C@@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796627 721505147 /nfs/dbraw/zinc/50/51/47/721505147.db2.gz URLGWTILGMWHJJ-CUNXSJBXSA-N 1 2 441.579 4.115 20 0 IIADLO O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164944975 721971234 /nfs/dbraw/zinc/97/12/34/721971234.db2.gz LOTPJDYTIPNPKK-UHFFFAOYSA-N 1 2 439.774 4.013 20 0 IIADLO O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164944975 721971236 /nfs/dbraw/zinc/97/12/36/721971236.db2.gz LOTPJDYTIPNPKK-UHFFFAOYSA-N 1 2 439.774 4.013 20 0 IIADLO O=c1nc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)[nH]c2scc(-c3ccco3)c21 ZINC001560099999 1126207461 /nfs/dbraw/zinc/20/74/61/1126207461.db2.gz CAVMBVVTPVDZAH-KBXCAEBGSA-N 1 2 449.454 4.281 20 0 IIADLO O[C@H](Cc1ccccc1)CN1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022925311 563025839 /nfs/dbraw/zinc/02/58/39/563025839.db2.gz ZZHKHRXDQLQSFW-HHHXNRCGSA-N 1 2 430.592 4.014 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc(SC)n1)CC2 ZINC001164663417 719350719 /nfs/dbraw/zinc/35/07/19/719350719.db2.gz GIZTXPDIJGQURM-UHFFFAOYSA-N 1 2 434.613 4.202 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc(SC)n1)CC2 ZINC001164663417 719350722 /nfs/dbraw/zinc/35/07/22/719350722.db2.gz GIZTXPDIJGQURM-UHFFFAOYSA-N 1 2 434.613 4.202 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)c3cc[nH]c31)CC2 ZINC001164658491 719352173 /nfs/dbraw/zinc/35/21/73/719352173.db2.gz HQCYGZXYQVTRHS-UHFFFAOYSA-N 1 2 430.531 4.397 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)c3cc[nH]c31)CC2 ZINC001164658491 719352176 /nfs/dbraw/zinc/35/21/76/719352176.db2.gz HQCYGZXYQVTRHS-UHFFFAOYSA-N 1 2 430.531 4.397 20 0 IIADLO CCc1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164665768 719355033 /nfs/dbraw/zinc/35/50/33/719355033.db2.gz YUXUJMSJWWSXSS-UHFFFAOYSA-N 1 2 436.991 4.387 20 0 IIADLO CCc1cc(Cl)nc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164665768 719355037 /nfs/dbraw/zinc/35/50/37/719355037.db2.gz YUXUJMSJWWSXSS-UHFFFAOYSA-N 1 2 436.991 4.387 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc(OCc4ccccc4)n2)CC3)cc1 ZINC001164674399 719507772 /nfs/dbraw/zinc/50/77/72/719507772.db2.gz WBAXUZKQYLOUBC-UHFFFAOYSA-N 1 2 448.542 4.066 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc(OCc4ccccc4)n2)CC3)cc1 ZINC001164674399 719507787 /nfs/dbraw/zinc/50/77/87/719507787.db2.gz WBAXUZKQYLOUBC-UHFFFAOYSA-N 1 2 448.542 4.066 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(-c4cccc(F)c4)nn2)CC3)cc1 ZINC001164678747 719525457 /nfs/dbraw/zinc/52/54/57/719525457.db2.gz NAHOXJCWNLBHRA-UHFFFAOYSA-N 1 2 436.506 4.293 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(-c4cccc(F)c4)nn2)CC3)cc1 ZINC001164678747 719525468 /nfs/dbraw/zinc/52/54/68/719525468.db2.gz NAHOXJCWNLBHRA-UHFFFAOYSA-N 1 2 436.506 4.293 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2c(F)ccc4c(Cl)ncnc42)CC3)cc1 ZINC001164678593 719532985 /nfs/dbraw/zinc/53/29/85/719532985.db2.gz MAOVSRYDHLQFLP-UHFFFAOYSA-N 1 2 444.913 4.433 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2c(F)ccc4c(Cl)ncnc42)CC3)cc1 ZINC001164678593 719532988 /nfs/dbraw/zinc/53/29/88/719532988.db2.gz MAOVSRYDHLQFLP-UHFFFAOYSA-N 1 2 444.913 4.433 20 0 IIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cc2ccccc2nc1Cl ZINC001164721954 720315633 /nfs/dbraw/zinc/31/56/33/720315633.db2.gz JCVQEMDALLCKLZ-LJQANCHMSA-N 1 2 447.917 4.450 20 0 IIADLO FC(F)(c1ccc(Cl)c(Cl)n1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164770654 721274111 /nfs/dbraw/zinc/27/41/11/721274111.db2.gz WFNLBNCIQIHRNR-ZDUSSCGKSA-N 1 2 440.281 4.240 20 0 IIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(c2c(C)c(Cl)nc3cc(F)cc(F)c32)CC1 ZINC001164919210 721821360 /nfs/dbraw/zinc/82/13/60/721821360.db2.gz OCVOTEFCMRHJDA-UHFFFAOYSA-N 1 2 431.918 4.421 20 0 IIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(c2c(C)c(Cl)nc3cc(F)cc(F)c32)CC1 ZINC001164919210 721821361 /nfs/dbraw/zinc/82/13/61/721821361.db2.gz OCVOTEFCMRHJDA-UHFFFAOYSA-N 1 2 431.918 4.421 20 0 IIADLO O=C(c1cccnc1N1CCCC[C@@H]1c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165046052 721963228 /nfs/dbraw/zinc/96/32/28/721963228.db2.gz HLSRDGFUGDCLCH-RUZDIDTESA-N 1 2 441.579 4.166 20 0 IIADLO Cc1ccc(-c2cc(C(F)(F)N3CC[NH+](CCc4ccccn4)CC3)c(Cl)nn2)cc1 ZINC001165056198 722020336 /nfs/dbraw/zinc/02/03/36/722020336.db2.gz ZQAUMZYCRBKKGO-UHFFFAOYSA-N 1 2 443.929 4.410 20 0 IIADLO FC(F)(c1cccnc1Cl)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421767 718889552 /nfs/dbraw/zinc/88/95/52/718889552.db2.gz XYSIWBYXJQJGLV-ZDUSSCGKSA-N 1 2 443.679 4.268 20 0 IIADLO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(NC3CC3)c(C)c[nH+]1)CC2 ZINC001164662876 719345035 /nfs/dbraw/zinc/34/50/35/719345035.db2.gz UYNTYAZPQWFCPA-UHFFFAOYSA-N 1 2 443.599 4.054 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(C)nc(C)nc1Cl)CC2 ZINC001164664504 719348919 /nfs/dbraw/zinc/34/89/19/719348919.db2.gz WJVFSLUUYFVUGN-UHFFFAOYSA-N 1 2 436.991 4.442 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(C)nc(C)nc1Cl)CC2 ZINC001164664504 719348922 /nfs/dbraw/zinc/34/89/22/719348922.db2.gz WJVFSLUUYFVUGN-UHFFFAOYSA-N 1 2 436.991 4.442 20 0 IIADLO CCN(CC)c1cncc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)n1 ZINC001164660489 719352675 /nfs/dbraw/zinc/35/26/75/719352675.db2.gz UGQKYFKEEKGVIK-UHFFFAOYSA-N 1 2 445.615 4.018 20 0 IIADLO CCN(CC)c1cncc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)n1 ZINC001164660489 719352677 /nfs/dbraw/zinc/35/26/77/719352677.db2.gz UGQKYFKEEKGVIK-UHFFFAOYSA-N 1 2 445.615 4.018 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc4ccc(Cl)nc4cn2)CC3)cc1 ZINC001164671541 719510881 /nfs/dbraw/zinc/51/08/81/719510881.db2.gz FRBRORUGFWMBQD-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc4ccc(Cl)nc4cn2)CC3)cc1 ZINC001164671541 719510889 /nfs/dbraw/zinc/51/08/89/719510889.db2.gz FRBRORUGFWMBQD-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)s1 ZINC001164674092 719511503 /nfs/dbraw/zinc/51/15/03/719511503.db2.gz ZREQEMQRQPQVNQ-UHFFFAOYSA-N 1 2 447.967 4.059 20 0 IIADLO Cc1nc2c(nc(Cl)nc2N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)s1 ZINC001164674092 719511511 /nfs/dbraw/zinc/51/15/11/719511511.db2.gz ZREQEMQRQPQVNQ-UHFFFAOYSA-N 1 2 447.967 4.059 20 0 IIADLO CC(C)(C)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164674003 719520368 /nfs/dbraw/zinc/52/03/68/719520368.db2.gz YLNBQTGIFSCPHN-UHFFFAOYSA-N 1 2 432.971 4.438 20 0 IIADLO CC(C)(C)c1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164674003 719520374 /nfs/dbraw/zinc/52/03/74/719520374.db2.gz YLNBQTGIFSCPHN-UHFFFAOYSA-N 1 2 432.971 4.438 20 0 IIADLO FC(F)(c1cnc(Cl)c(Cl)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164763702 721271883 /nfs/dbraw/zinc/27/18/83/721271883.db2.gz FGQCLSAHSIFRTP-CYBMUJFWSA-N 1 2 440.281 4.240 20 0 IIADLO FC(F)(c1ccc(Cl)nc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164762952 721272209 /nfs/dbraw/zinc/27/22/09/721272209.db2.gz AWOXVHJEBMZROD-ZDUSSCGKSA-N 1 2 440.281 4.240 20 0 IIADLO Cc1nc(CN2CCO[C@H]3CCN(c4cc(C5CCCCC5)[nH+]c(C)n4)CC[C@@H]32)cs1 ZINC001164987641 722184766 /nfs/dbraw/zinc/18/47/66/722184766.db2.gz LCZQREPXCZGAGM-GOTSBHOMSA-N 1 2 441.645 4.467 20 0 IIADLO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC001462473095 1126197565 /nfs/dbraw/zinc/19/75/65/1126197565.db2.gz NADLZIMAQINOPR-KRWDZBQOSA-N 1 2 447.142 4.140 20 0 IIADLO F[C@@H](c1ccnc(Cl)c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416213 718890102 /nfs/dbraw/zinc/89/01/02/718890102.db2.gz CCJXMPJWFRYUTD-CXAGYDPISA-N 1 2 425.689 4.187 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1OC1CCC1)CC2 ZINC001164658550 719355091 /nfs/dbraw/zinc/35/50/91/719355091.db2.gz IURCAFFNMOIIIL-UHFFFAOYSA-N 1 2 444.583 4.103 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1OC1CCC1)CC2 ZINC001164658550 719355094 /nfs/dbraw/zinc/35/50/94/719355094.db2.gz IURCAFFNMOIIIL-UHFFFAOYSA-N 1 2 444.583 4.103 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncc4cc(Cl)ccc4n2)CC3)cc1 ZINC001164671661 719510633 /nfs/dbraw/zinc/51/06/33/719510633.db2.gz GYNBTLVAGOOLEO-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncc4cc(Cl)ccc4n2)CC3)cc1 ZINC001164671661 719510644 /nfs/dbraw/zinc/51/06/44/719510644.db2.gz GYNBTLVAGOOLEO-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Cc1nc(-c2ccccn2)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C ZINC001164679118 719528390 /nfs/dbraw/zinc/52/83/90/719528390.db2.gz TTXVFHUULBXLMC-UHFFFAOYSA-N 1 2 447.558 4.166 20 0 IIADLO Cc1nc(-c2ccccn2)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C ZINC001164679118 719528394 /nfs/dbraw/zinc/52/83/94/719528394.db2.gz TTXVFHUULBXLMC-UHFFFAOYSA-N 1 2 447.558 4.166 20 0 IIADLO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164679247 719530383 /nfs/dbraw/zinc/53/03/83/719530383.db2.gz WGSLNTBMVHKRHB-UHFFFAOYSA-N 1 2 439.362 4.356 20 0 IIADLO CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164679247 719530388 /nfs/dbraw/zinc/53/03/88/719530388.db2.gz WGSLNTBMVHKRHB-UHFFFAOYSA-N 1 2 439.362 4.356 20 0 IIADLO FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677443 719567056 /nfs/dbraw/zinc/56/70/56/719567056.db2.gz NBXVOYKLPCXMAR-UHFFFAOYSA-N 1 2 434.661 4.382 20 0 IIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@H](F)c3ccnc(Cl)c3)CC2)cc1 ZINC001164695008 719829943 /nfs/dbraw/zinc/82/99/43/719829943.db2.gz AJZJJZPZCILUBC-FQEVSTJZSA-N 1 2 439.922 4.103 20 0 IIADLO FC(F)(c1ccc(Cl)nc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164762947 721272604 /nfs/dbraw/zinc/27/26/04/721272604.db2.gz AWOXVHJEBMZROD-CYBMUJFWSA-N 1 2 440.281 4.240 20 0 IIADLO FC(F)(N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164767111 721277020 /nfs/dbraw/zinc/27/70/20/721277020.db2.gz GLJRQJIUTBGDFI-INIZCTEOSA-N 1 2 445.901 4.162 20 0 IIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5CCC[C@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796628 721505206 /nfs/dbraw/zinc/50/52/06/721505206.db2.gz URLGWTILGMWHJJ-WXVAWEFUSA-N 1 2 441.579 4.115 20 0 IIADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5CCC[C@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796628 721505211 /nfs/dbraw/zinc/50/52/11/721505211.db2.gz URLGWTILGMWHJJ-WXVAWEFUSA-N 1 2 441.579 4.115 20 0 IIADLO COc1ccc2[nH+]c(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)cc(C)c2c1 ZINC001164994579 722181818 /nfs/dbraw/zinc/18/18/18/722181818.db2.gz ZJWNXAWLMNEYPE-XZOQPEGZSA-N 1 2 438.597 4.187 20 0 IIADLO CCOC(=O)c1c(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)occ1C(F)(F)F ZINC001460687217 1126191468 /nfs/dbraw/zinc/19/14/68/1126191468.db2.gz DHPWQUHVMZAZQS-CZUORRHYSA-N 1 2 439.352 4.099 20 0 IIADLO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(NC(C)C)c(C)c[nH+]1)CC2 ZINC001164659334 719345052 /nfs/dbraw/zinc/34/50/52/719345052.db2.gz BJCGHQBDJBMETN-UHFFFAOYSA-N 1 2 445.615 4.300 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1Cl)CC2 ZINC001164662959 719346354 /nfs/dbraw/zinc/34/63/54/719346354.db2.gz BJJFQEAIQMQBFK-UHFFFAOYSA-N 1 2 443.382 4.478 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ncc1Cl)CC2 ZINC001164662959 719346356 /nfs/dbraw/zinc/34/63/56/719346356.db2.gz BJJFQEAIQMQBFK-UHFFFAOYSA-N 1 2 443.382 4.478 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(-c3ccco3)cn1)CC2 ZINC001164664480 719348802 /nfs/dbraw/zinc/34/88/02/719348802.db2.gz VIHYLTJLBKYEMJ-UHFFFAOYSA-N 1 2 440.551 4.431 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(-c3ccco3)cn1)CC2 ZINC001164664480 719348805 /nfs/dbraw/zinc/34/88/05/719348805.db2.gz VIHYLTJLBKYEMJ-UHFFFAOYSA-N 1 2 440.551 4.431 20 0 IIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164721072 720313749 /nfs/dbraw/zinc/31/37/49/720313749.db2.gz DKZRHQPTHWRQFZ-IBGZPJMESA-N 1 2 447.917 4.450 20 0 IIADLO FC(F)(c1cccc2c(Cl)ncnc21)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869076 721219773 /nfs/dbraw/zinc/21/97/73/721219773.db2.gz BNXAOZCWAMQKBK-UHFFFAOYSA-N 1 2 445.901 4.099 20 0 IIADLO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164768109 721278380 /nfs/dbraw/zinc/27/83/80/721278380.db2.gz JWDANEQQMDUQAP-OAHLLOKOSA-N 1 2 445.901 4.464 20 0 IIADLO Cc1ccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)cc1 ZINC001165012035 721720663 /nfs/dbraw/zinc/72/06/63/721720663.db2.gz ZFUCLIGVALBZQX-UHFFFAOYSA-N 1 2 441.967 4.073 20 0 IIADLO Cc1ccc(Oc2nc(Cl)ncc2N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)cc1 ZINC001165012035 721720671 /nfs/dbraw/zinc/72/06/71/721720671.db2.gz ZFUCLIGVALBZQX-UHFFFAOYSA-N 1 2 441.967 4.073 20 0 IIADLO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCC2(CC1)c1[nH+]cc(C)n1CCN2C ZINC001164918279 721817513 /nfs/dbraw/zinc/81/75/13/721817513.db2.gz LOZVPAZTHXIELY-UHFFFAOYSA-N 1 2 446.382 4.496 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cc(F)ccc2Oc2ccc(Cl)nn2)CC1 ZINC001164917272 721818865 /nfs/dbraw/zinc/81/88/65/721818865.db2.gz FVIHALGWMNWWAT-UHFFFAOYSA-N 1 2 442.926 4.007 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nnc(Cc3ccccc3)c3ccccc32)CC1 ZINC001164917149 721818883 /nfs/dbraw/zinc/81/88/83/721818883.db2.gz CFPVWLGQTZSSKA-UHFFFAOYSA-N 1 2 438.579 4.167 20 0 IIADLO O=C([O-])[C@H](Cc1csc(-c2ccccc2Cl)n1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000426735874 1126084856 /nfs/dbraw/zinc/08/48/56/1126084856.db2.gz HEPJWXKLGWGTFV-FQEVSTJZSA-N 1 2 438.940 4.435 20 0 IIADLO FC(F)(c1cccnc1Cl)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164421766 718889434 /nfs/dbraw/zinc/88/94/34/718889434.db2.gz XYSIWBYXJQJGLV-CYBMUJFWSA-N 1 2 443.679 4.268 20 0 IIADLO F[C@H](c1ccnc(Cl)c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416219 718890107 /nfs/dbraw/zinc/89/01/07/718890107.db2.gz CCJXMPJWFRYUTD-GUYCJALGSA-N 1 2 425.689 4.187 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1CCCC3)CC2 ZINC001164662980 719349336 /nfs/dbraw/zinc/34/93/36/719349336.db2.gz BQOPQWMVQWPHPW-UHFFFAOYSA-N 1 2 428.584 4.050 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1CCCC3)CC2 ZINC001164662980 719349341 /nfs/dbraw/zinc/34/93/41/719349341.db2.gz BQOPQWMVQWPHPW-UHFFFAOYSA-N 1 2 428.584 4.050 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(C)nc1Cl)CC2 ZINC001164660605 719350181 /nfs/dbraw/zinc/35/01/81/719350181.db2.gz VXOOYUIIYGOEQA-UHFFFAOYSA-N 1 2 436.991 4.442 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(C)nc1Cl)CC2 ZINC001164660605 719350184 /nfs/dbraw/zinc/35/01/84/719350184.db2.gz VXOOYUIIYGOEQA-UHFFFAOYSA-N 1 2 436.991 4.442 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ccc1OC)CC2 ZINC001164658511 719351295 /nfs/dbraw/zinc/35/12/95/719351295.db2.gz HWPAZCRCTPPODK-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)ccc1OC)CC2 ZINC001164658511 719351299 /nfs/dbraw/zinc/35/12/99/719351299.db2.gz HWPAZCRCTPPODK-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4[nH]c5ccccc5c42)CC3)cc1 ZINC001164670232 719513305 /nfs/dbraw/zinc/51/33/05/719513305.db2.gz BUQKSRHEUFRRNN-UHFFFAOYSA-N 1 2 431.515 4.122 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4[nH]c5ccccc5c42)CC3)cc1 ZINC001164670232 719513312 /nfs/dbraw/zinc/51/33/12/719513312.db2.gz BUQKSRHEUFRRNN-UHFFFAOYSA-N 1 2 431.515 4.122 20 0 IIADLO COc1ccccc1-c1cc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)ncn1 ZINC001164671543 719522737 /nfs/dbraw/zinc/52/27/37/719522737.db2.gz FRVAEEKBNUVNRA-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO COc1ccccc1-c1cc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)ncn1 ZINC001164671543 719522743 /nfs/dbraw/zinc/52/27/43/719522743.db2.gz FRVAEEKBNUVNRA-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164707210 719866875 /nfs/dbraw/zinc/86/68/75/719866875.db2.gz RIIJGUPIYDVBQU-JIPXPUAJSA-N 1 2 445.563 4.135 20 0 IIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164721848 720314183 /nfs/dbraw/zinc/31/41/83/720314183.db2.gz IBQYMFKILALEMT-LJQANCHMSA-N 1 2 447.917 4.450 20 0 IIADLO CSc1ccc(C(F)(F)N2CCc3c([nH+]cn3C(C)C)[C@H]2CNC(C)=O)nc1Cl ZINC001164723363 720314879 /nfs/dbraw/zinc/31/48/79/720314879.db2.gz OFRAWWVBZHEZGB-CQSZACIVSA-N 1 2 443.951 4.019 20 0 IIADLO FC(F)(c1cc(Cl)ncc1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164764598 721272286 /nfs/dbraw/zinc/27/22/86/721272286.db2.gz HMIGBYRGEZLPIK-CYBMUJFWSA-N 1 2 440.281 4.240 20 0 IIADLO Cc1nc(COC[C@H]2Cn3nccc3C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C2)cs1 ZINC001164877418 721332259 /nfs/dbraw/zinc/33/22/59/721332259.db2.gz TZXKZZXORDGDLR-MRXNPFEDSA-N 1 2 431.993 4.280 20 0 IIADLO Cc1nc(COC[C@H]2Cn3nccc3C[N@H+](C(C)(C)c3ccnc(Cl)c3)C2)cs1 ZINC001164877418 721332266 /nfs/dbraw/zinc/33/22/66/721332266.db2.gz TZXKZZXORDGDLR-MRXNPFEDSA-N 1 2 431.993 4.280 20 0 IIADLO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164781192 721417187 /nfs/dbraw/zinc/41/71/87/721417187.db2.gz CQBINDCDRJZXFS-HOTGVXAUSA-N 1 2 447.942 4.367 20 0 IIADLO FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165053572 722010045 /nfs/dbraw/zinc/01/00/45/722010045.db2.gz KCQBMSMYFLJHRX-UHFFFAOYSA-N 1 2 438.309 4.241 20 0 IIADLO COc1cc2cc[nH+]c(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)c2cc1F ZINC001164989699 722186480 /nfs/dbraw/zinc/18/64/80/722186480.db2.gz PSRATYLSQRPWMN-SFTDATJTSA-N 1 2 442.560 4.017 20 0 IIADLO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Br)c(O)c(Br)c2)cc1C ZINC001621377008 1126246505 /nfs/dbraw/zinc/24/65/05/1126246505.db2.gz UUFLROYYKGMHPM-OAHLLOKOSA-N 1 2 443.179 4.227 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc3nc[nH]c31)CC2 ZINC001164664183 719349503 /nfs/dbraw/zinc/34/95/03/719349503.db2.gz SYSNZBSNAQQIDM-UHFFFAOYSA-N 1 2 447.974 4.306 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc3nc[nH]c31)CC2 ZINC001164664183 719349505 /nfs/dbraw/zinc/34/95/05/719349505.db2.gz SYSNZBSNAQQIDM-UHFFFAOYSA-N 1 2 447.974 4.306 20 0 IIADLO Cc1nc(-c2ccncc2)nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1C ZINC001164679310 719525033 /nfs/dbraw/zinc/52/50/33/719525033.db2.gz XPAXBYUMQIPAFL-UHFFFAOYSA-N 1 2 447.558 4.166 20 0 IIADLO Cc1nc(-c2ccncc2)nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1C ZINC001164679310 719525044 /nfs/dbraw/zinc/52/50/44/719525044.db2.gz XPAXBYUMQIPAFL-UHFFFAOYSA-N 1 2 447.558 4.166 20 0 IIADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676943 719565934 /nfs/dbraw/zinc/56/59/34/719565934.db2.gz RLVQOFCJELYTRB-UHFFFAOYSA-N 1 2 442.857 4.137 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001165011384 721700878 /nfs/dbraw/zinc/70/08/78/721700878.db2.gz RQJNIQFQLIBSFF-UHFFFAOYSA-N 1 2 434.922 4.275 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)C2 ZINC001165011384 721700881 /nfs/dbraw/zinc/70/08/81/721700881.db2.gz RQJNIQFQLIBSFF-UHFFFAOYSA-N 1 2 434.922 4.275 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2ncc(OCc3ccccc3)cc2Cl)CC1 ZINC001164917884 721818066 /nfs/dbraw/zinc/81/80/66/721818066.db2.gz KMCGUOFWENAXPU-UHFFFAOYSA-N 1 2 437.975 4.260 20 0 IIADLO CCOC(=O)c1c(C[NH2+][C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)occ1C(F)(F)F ZINC001460687211 1126191360 /nfs/dbraw/zinc/19/13/60/1126191360.db2.gz DHPWQUHVMZAZQS-CJNGLKHVSA-N 1 2 439.352 4.099 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3sccc31)CC2 ZINC001164661623 719345609 /nfs/dbraw/zinc/34/56/09/719345609.db2.gz LWDBOJPAOBDFMW-UHFFFAOYSA-N 1 2 430.581 4.386 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3sccc31)CC2 ZINC001164661623 719345612 /nfs/dbraw/zinc/34/56/12/719345612.db2.gz LWDBOJPAOBDFMW-UHFFFAOYSA-N 1 2 430.581 4.386 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)cc1Cl)CC2 ZINC001164663804 719346120 /nfs/dbraw/zinc/34/61/20/719346120.db2.gz MJFVTNMRXOCUFD-UHFFFAOYSA-N 1 2 443.382 4.478 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nnc(Cl)cc1Cl)CC2 ZINC001164663804 719346125 /nfs/dbraw/zinc/34/61/25/719346125.db2.gz MJFVTNMRXOCUFD-UHFFFAOYSA-N 1 2 443.382 4.478 20 0 IIADLO C=C(OCC)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3CC)nn1 ZINC001164662931 719350420 /nfs/dbraw/zinc/35/04/20/719350420.db2.gz BDQBMGVFRKTOOH-UHFFFAOYSA-N 1 2 444.583 4.179 20 0 IIADLO C=C(OCC)c1ccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3CC)nn1 ZINC001164662931 719350422 /nfs/dbraw/zinc/35/04/22/719350422.db2.gz BDQBMGVFRKTOOH-UHFFFAOYSA-N 1 2 444.583 4.179 20 0 IIADLO CCCc1cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)nc(C)[nH+]1 ZINC001164658038 719352003 /nfs/dbraw/zinc/35/20/03/719352003.db2.gz BVIWTTGPTPBSKW-UHFFFAOYSA-N 1 2 430.600 4.432 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3nc[nH]c3cc1Cl)CC2 ZINC001164660681 719352089 /nfs/dbraw/zinc/35/20/89/719352089.db2.gz WYAACHLTKFGNKE-UHFFFAOYSA-N 1 2 447.974 4.306 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3nc[nH]c3cc1Cl)CC2 ZINC001164660681 719352092 /nfs/dbraw/zinc/35/20/92/719352092.db2.gz WYAACHLTKFGNKE-UHFFFAOYSA-N 1 2 447.974 4.306 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cncc(OCc4ccccc4)n2)CC3)cc1 ZINC001164672329 719497840 /nfs/dbraw/zinc/49/78/40/719497840.db2.gz KXYWAVVIACINSW-UHFFFAOYSA-N 1 2 448.542 4.066 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cncc(OCc4ccccc4)n2)CC3)cc1 ZINC001164672329 719497844 /nfs/dbraw/zinc/49/78/44/719497844.db2.gz KXYWAVVIACINSW-UHFFFAOYSA-N 1 2 448.542 4.066 20 0 IIADLO COc1ccccc1-c1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nn1 ZINC001164672776 719523551 /nfs/dbraw/zinc/52/35/51/719523551.db2.gz NUAFYTBPZDEANN-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO COc1ccccc1-c1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nn1 ZINC001164672776 719523561 /nfs/dbraw/zinc/52/35/61/719523561.db2.gz NUAFYTBPZDEANN-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(COC4CCC4)cn2)CC3)cc1 ZINC001164679119 719527595 /nfs/dbraw/zinc/52/75/95/719527595.db2.gz TXLRCMIGBFJLQO-UHFFFAOYSA-N 1 2 425.548 4.161 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(COC4CCC4)cn2)CC3)cc1 ZINC001164679119 719527607 /nfs/dbraw/zinc/52/76/07/719527607.db2.gz TXLRCMIGBFJLQO-UHFFFAOYSA-N 1 2 425.548 4.161 20 0 IIADLO FC(F)(c1cccc2c(Cl)ncnc21)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001164758520 720980386 /nfs/dbraw/zinc/98/03/86/720980386.db2.gz VSTFXAGWSOJJCX-OAHLLOKOSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(c1cc(Cl)nc2c1CCC2)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870023 721221831 /nfs/dbraw/zinc/22/18/31/721221831.db2.gz DXGYNEJQZRITEU-UHFFFAOYSA-N 1 2 434.918 4.039 20 0 IIADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164787986 721427878 /nfs/dbraw/zinc/42/78/78/721427878.db2.gz RPYHUZFWHPLETM-IYBDPMFKSA-N 1 2 447.942 4.367 20 0 IIADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164787986 721427881 /nfs/dbraw/zinc/42/78/81/721427881.db2.gz RPYHUZFWHPLETM-IYBDPMFKSA-N 1 2 447.942 4.367 20 0 IIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc3ccccc3nc2Cl)CC1 ZINC001164917673 721817424 /nfs/dbraw/zinc/81/74/24/721817424.db2.gz GUTNYCGYCSSOQS-UHFFFAOYSA-N 1 2 431.918 4.379 20 0 IIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc3ccccc3nc2Cl)CC1 ZINC001164917673 721817426 /nfs/dbraw/zinc/81/74/26/721817426.db2.gz GUTNYCGYCSSOQS-UHFFFAOYSA-N 1 2 431.918 4.379 20 0 IIADLO CCOC(=O)c1c(C[NH2+][C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)occ1C(F)(F)F ZINC001460687221 1126191378 /nfs/dbraw/zinc/19/13/78/1126191378.db2.gz DHPWQUHVMZAZQS-XJKSGUPXSA-N 1 2 439.352 4.099 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccsc31)CC2 ZINC001164664556 719345457 /nfs/dbraw/zinc/34/54/57/719345457.db2.gz YIMNCFWZMXIJBL-UHFFFAOYSA-N 1 2 430.581 4.386 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3ccsc31)CC2 ZINC001164664556 719345458 /nfs/dbraw/zinc/34/54/58/719345458.db2.gz YIMNCFWZMXIJBL-UHFFFAOYSA-N 1 2 430.581 4.386 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)cc1OC)CC2 ZINC001164664148 719346652 /nfs/dbraw/zinc/34/66/52/719346652.db2.gz SKBSECFEMAIRJR-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)cc1OC)CC2 ZINC001164664148 719346655 /nfs/dbraw/zinc/34/66/55/719346655.db2.gz SKBSECFEMAIRJR-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CCC3)CC2 ZINC001164662960 719346841 /nfs/dbraw/zinc/34/68/41/719346841.db2.gz BJKHDDNEMBJNTG-UHFFFAOYSA-N 1 2 449.002 4.313 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3c1CCC3)CC2 ZINC001164662960 719346843 /nfs/dbraw/zinc/34/68/43/719346843.db2.gz BJKHDDNEMBJNTG-UHFFFAOYSA-N 1 2 449.002 4.313 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)cc(OC)n1)CC2 ZINC001164663757 719349564 /nfs/dbraw/zinc/34/95/64/719349564.db2.gz LIFHKXYMHURKSM-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)cc(OC)n1)CC2 ZINC001164663757 719349567 /nfs/dbraw/zinc/34/95/67/719349567.db2.gz LIFHKXYMHURKSM-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(C)(C)C)nn1)CC2 ZINC001164659637 719353974 /nfs/dbraw/zinc/35/39/74/719353974.db2.gz RMHPSNFNWAEANG-UHFFFAOYSA-N 1 2 430.600 4.469 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(C)(C)C)nn1)CC2 ZINC001164659637 719353975 /nfs/dbraw/zinc/35/39/75/719353975.db2.gz RMHPSNFNWAEANG-UHFFFAOYSA-N 1 2 430.600 4.469 20 0 IIADLO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676364 719566795 /nfs/dbraw/zinc/56/67/95/719566795.db2.gz CLFNXOVENXIIBV-UHFFFAOYSA-N 1 2 442.857 4.137 20 0 IIADLO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676332 719566919 /nfs/dbraw/zinc/56/69/19/719566919.db2.gz BCBNJENXGBSNHQ-UHFFFAOYSA-N 1 2 442.857 4.137 20 0 IIADLO CSc1ccc(C(F)(F)N2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)nc1Cl ZINC001164758972 720977872 /nfs/dbraw/zinc/97/78/72/720977872.db2.gz XSYKYIRERGUYBI-CQSZACIVSA-N 1 2 428.936 4.261 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001165010766 721702284 /nfs/dbraw/zinc/70/22/84/721702284.db2.gz MCXPGROQRZRTLJ-UHFFFAOYSA-N 1 2 427.556 4.139 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc3ccccc3c(-c3ccccc3)n1)C2 ZINC001165010766 721702288 /nfs/dbraw/zinc/70/22/88/721702288.db2.gz MCXPGROQRZRTLJ-UHFFFAOYSA-N 1 2 427.556 4.139 20 0 IIADLO FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054468 722011126 /nfs/dbraw/zinc/01/11/26/722011126.db2.gz YZNFPEGGZQMCDU-UHFFFAOYSA-N 1 2 429.902 4.102 20 0 IIADLO FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054839 722017424 /nfs/dbraw/zinc/01/74/24/722017424.db2.gz FOEVBTOSZLHQPF-UHFFFAOYSA-N 1 2 429.902 4.102 20 0 IIADLO O=C(Nc1ccccc1O)C1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1 ZINC000012809624 527428808 /nfs/dbraw/zinc/42/88/08/527428808.db2.gz IWEUBDLCGWLKDQ-UHFFFAOYSA-N 1 2 441.528 4.418 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ncsc31)CC2 ZINC001164658480 719352748 /nfs/dbraw/zinc/35/27/48/719352748.db2.gz HNEGIAZQHWTNCQ-UHFFFAOYSA-N 1 2 430.581 4.386 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ncsc31)CC2 ZINC001164658480 719352750 /nfs/dbraw/zinc/35/27/50/719352750.db2.gz HNEGIAZQHWTNCQ-UHFFFAOYSA-N 1 2 430.581 4.386 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1OCC(C)C)CC2 ZINC001164658190 719355167 /nfs/dbraw/zinc/35/51/67/719355167.db2.gz FGHYTUIVDGJRLW-UHFFFAOYSA-N 1 2 446.599 4.206 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccnc1OCC(C)C)CC2 ZINC001164658190 719355169 /nfs/dbraw/zinc/35/51/69/719355169.db2.gz FGHYTUIVDGJRLW-UHFFFAOYSA-N 1 2 446.599 4.206 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncc4ccc(Cl)cc4n2)CC3)cc1 ZINC001164673384 719513062 /nfs/dbraw/zinc/51/30/62/719513062.db2.gz RAASYPUWKPTZEU-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncc4ccc(Cl)cc4n2)CC3)cc1 ZINC001164673384 719513077 /nfs/dbraw/zinc/51/30/77/719513077.db2.gz RAASYPUWKPTZEU-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(-c4ccc(F)cc4)nn2)CC3)cc1 ZINC001164673325 719526993 /nfs/dbraw/zinc/52/69/93/719526993.db2.gz OJIUOPFUOTWAQA-UHFFFAOYSA-N 1 2 436.506 4.293 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(-c4ccc(F)cc4)nn2)CC3)cc1 ZINC001164673325 719527006 /nfs/dbraw/zinc/52/70/06/719527006.db2.gz OJIUOPFUOTWAQA-UHFFFAOYSA-N 1 2 436.506 4.293 20 0 IIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2c(Cl)nccc2c1 ZINC001164721044 720316358 /nfs/dbraw/zinc/31/63/58/720316358.db2.gz DCMHLJAFFVVNHV-IBGZPJMESA-N 1 2 447.917 4.450 20 0 IIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC001164726220 720317503 /nfs/dbraw/zinc/31/75/03/720317503.db2.gz YQLYFZBNPZWJQL-GOSISDBHSA-N 1 2 437.922 4.175 20 0 IIADLO FC(F)(c1ccc2c(Cl)ncnc2c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758941 720974487 /nfs/dbraw/zinc/97/44/87/720974487.db2.gz XIUUNNOAVIRLOV-HNNXBMFYSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(c1ccc2nc(Cl)cnc2c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757300 720976810 /nfs/dbraw/zinc/97/68/10/720976810.db2.gz NYBJBFYQHGGNPP-HNNXBMFYSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(c1nc2ccccc2nc1Cl)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164758107 720978648 /nfs/dbraw/zinc/97/86/48/720978648.db2.gz TVDWXZRRUPELJB-HNNXBMFYSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2)C1(c2ccc(Cl)nc2)CC1 ZINC001164874326 721221846 /nfs/dbraw/zinc/22/18/46/721221846.db2.gz UGUMHLHIPQLGNX-UHFFFAOYSA-N 1 2 434.918 4.126 20 0 IIADLO FC(F)(Sc1ccc(Cl)nc1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164767106 721276814 /nfs/dbraw/zinc/27/68/14/721276814.db2.gz GJHTVYQMRNGLAO-CQSZACIVSA-N 1 2 437.903 4.180 20 0 IIADLO FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164785527 721435038 /nfs/dbraw/zinc/43/50/38/721435038.db2.gz NJOWKKXFGYDACM-QWRGUYRKSA-N 1 2 438.853 4.323 20 0 IIADLO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055232 722019382 /nfs/dbraw/zinc/01/93/82/722019382.db2.gz NGOTYMRCKNJPRU-UHFFFAOYSA-N 1 2 429.902 4.102 20 0 IIADLO Fc1cccc(-c2cc(C(F)(F)N3CC[NH+](CCc4ccccn4)CC3)c(Cl)nn2)c1 ZINC001165056171 722020974 /nfs/dbraw/zinc/02/09/74/722020974.db2.gz YDVPBFRZZMSGEA-UHFFFAOYSA-N 1 2 447.892 4.241 20 0 IIADLO O=c1nc(C[NH2+][C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)[nH]c2scc(-c3ccco3)c21 ZINC001560100002 1126207399 /nfs/dbraw/zinc/20/73/99/1126207399.db2.gz CAVMBVVTPVDZAH-RDTXWAMCSA-N 1 2 449.454 4.281 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cnc1Cl)CC2 ZINC001164664550 719349598 /nfs/dbraw/zinc/34/95/98/719349598.db2.gz XZPPKTRGAAZNAG-UHFFFAOYSA-N 1 2 443.382 4.478 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)cnc1Cl)CC2 ZINC001164664550 719349600 /nfs/dbraw/zinc/34/96/00/719349600.db2.gz XZPPKTRGAAZNAG-UHFFFAOYSA-N 1 2 443.382 4.478 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)c(F)cc1N)CC2 ZINC001164658587 719352743 /nfs/dbraw/zinc/35/27/43/719352743.db2.gz JULADZFSBIWWMT-UHFFFAOYSA-N 1 2 440.954 4.151 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)c(F)cc1N)CC2 ZINC001164658587 719352744 /nfs/dbraw/zinc/35/27/44/719352744.db2.gz JULADZFSBIWWMT-UHFFFAOYSA-N 1 2 440.954 4.151 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3c(n1)CCCC3)CC2 ZINC001164659541 719355592 /nfs/dbraw/zinc/35/55/92/719355592.db2.gz QRTJXPOZHWIPNJ-UHFFFAOYSA-N 1 2 428.584 4.050 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc3c(n1)CCCC3)CC2 ZINC001164659541 719355595 /nfs/dbraw/zinc/35/55/95/719355595.db2.gz QRTJXPOZHWIPNJ-UHFFFAOYSA-N 1 2 428.584 4.050 20 0 IIADLO CSc1nc2sccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673876 719496659 /nfs/dbraw/zinc/49/66/59/719496659.db2.gz SSSUFUNNWWZIBY-UHFFFAOYSA-N 1 2 444.601 4.424 20 0 IIADLO CSc1nc2sccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673876 719496667 /nfs/dbraw/zinc/49/66/67/719496667.db2.gz SSSUFUNNWWZIBY-UHFFFAOYSA-N 1 2 444.601 4.424 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nnc(Cl)c4ccsc42)CC3)cc1 ZINC001164671246 719499955 /nfs/dbraw/zinc/49/99/55/719499955.db2.gz DBIKKUNDGYYHTK-UHFFFAOYSA-N 1 2 432.952 4.355 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nnc(Cl)c4ccsc42)CC3)cc1 ZINC001164671246 719499961 /nfs/dbraw/zinc/49/99/61/719499961.db2.gz DBIKKUNDGYYHTK-UHFFFAOYSA-N 1 2 432.952 4.355 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc4ccccc4nc2Cl)CC3)cc1 ZINC001164673889 719503634 /nfs/dbraw/zinc/50/36/34/719503634.db2.gz UEOIZSXDYHFGHD-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc4ccccc4nc2Cl)CC3)cc1 ZINC001164673889 719503635 /nfs/dbraw/zinc/50/36/35/719503635.db2.gz UEOIZSXDYHFGHD-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nnc(Cl)c4c2CCCC4)CC3)cc1 ZINC001164672317 719506524 /nfs/dbraw/zinc/50/65/24/719506524.db2.gz KDTHLQSLQBRZHN-UHFFFAOYSA-N 1 2 430.955 4.019 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nnc(Cl)c4c2CCCC4)CC3)cc1 ZINC001164672317 719506531 /nfs/dbraw/zinc/50/65/31/719506531.db2.gz KDTHLQSLQBRZHN-UHFFFAOYSA-N 1 2 430.955 4.019 20 0 IIADLO CSc1nc2ccsc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164671434 719506910 /nfs/dbraw/zinc/50/69/10/719506910.db2.gz FKLZQEIVEATOAG-UHFFFAOYSA-N 1 2 444.601 4.424 20 0 IIADLO CSc1nc2ccsc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164671434 719506920 /nfs/dbraw/zinc/50/69/20/719506920.db2.gz FKLZQEIVEATOAG-UHFFFAOYSA-N 1 2 444.601 4.424 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc4c(nc2Cl)CCCC4)CC3)cc1 ZINC001164678924 719533560 /nfs/dbraw/zinc/53/35/60/719533560.db2.gz OMTXLAJSCVTCSJ-UHFFFAOYSA-N 1 2 430.955 4.019 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc4c(nc2Cl)CCCC4)CC3)cc1 ZINC001164678924 719533575 /nfs/dbraw/zinc/53/35/75/719533575.db2.gz OMTXLAJSCVTCSJ-UHFFFAOYSA-N 1 2 430.955 4.019 20 0 IIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164723792 720315053 /nfs/dbraw/zinc/31/50/53/720315053.db2.gz PGGNSJZLDNPTRZ-IBGZPJMESA-N 1 2 447.917 4.450 20 0 IIADLO FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869567 721218721 /nfs/dbraw/zinc/21/87/21/721218721.db2.gz DAXOOWFINZKRQR-UHFFFAOYSA-N 1 2 445.901 4.099 20 0 IIADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783689 721433206 /nfs/dbraw/zinc/43/32/06/721433206.db2.gz JJTQJNKDVKHEIJ-IYBDPMFKSA-N 1 2 447.942 4.367 20 0 IIADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164783689 721433210 /nfs/dbraw/zinc/43/32/10/721433210.db2.gz JJTQJNKDVKHEIJ-IYBDPMFKSA-N 1 2 447.942 4.367 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC001164918352 721819301 /nfs/dbraw/zinc/81/93/01/721819301.db2.gz PFAWREVDJCYCOB-UHFFFAOYSA-N 1 2 430.581 4.304 20 0 IIADLO FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054837 722018894 /nfs/dbraw/zinc/01/88/94/722018894.db2.gz FLJWHUZBEABICR-UHFFFAOYSA-N 1 2 429.902 4.102 20 0 IIADLO COc1ccc2[nH+]c(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)cc(C)c2c1 ZINC001164994578 722181757 /nfs/dbraw/zinc/18/17/57/722181757.db2.gz ZJWNXAWLMNEYPE-PKTZIBPZSA-N 1 2 438.597 4.187 20 0 IIADLO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC001183145396 1126153107 /nfs/dbraw/zinc/15/31/07/1126153107.db2.gz IGJLUCNHRKPJII-QGZVFWFLSA-N 1 2 447.142 4.140 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(SC)n1)CC2 ZINC001164662062 719345478 /nfs/dbraw/zinc/34/54/78/719345478.db2.gz MXWTYWXJWXGEPN-UHFFFAOYSA-N 1 2 434.613 4.202 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C)nc(SC)n1)CC2 ZINC001164662062 719345483 /nfs/dbraw/zinc/34/54/83/719345483.db2.gz MXWTYWXJWXGEPN-UHFFFAOYSA-N 1 2 434.613 4.202 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(CC(C)C)ncn1)CC2 ZINC001164660744 719354350 /nfs/dbraw/zinc/35/43/50/719354350.db2.gz YJXORTLACOXNLN-UHFFFAOYSA-N 1 2 430.600 4.370 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(CC(C)C)ncn1)CC2 ZINC001164660744 719354354 /nfs/dbraw/zinc/35/43/54/719354354.db2.gz YJXORTLACOXNLN-UHFFFAOYSA-N 1 2 430.600 4.370 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nccc1OC)CC2 ZINC001164658987 719355173 /nfs/dbraw/zinc/35/51/73/719355173.db2.gz ORBQDEAPPCXEJS-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)nccc1OC)CC2 ZINC001164658987 719355175 /nfs/dbraw/zinc/35/51/75/719355175.db2.gz ORBQDEAPPCXEJS-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(Oc4ccccc4)ncn2)CC3)cc1 ZINC001164674540 719498419 /nfs/dbraw/zinc/49/84/19/719498419.db2.gz ZGSWAMTVXSCBDW-UHFFFAOYSA-N 1 2 434.515 4.279 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(Oc4ccccc4)ncn2)CC3)cc1 ZINC001164674540 719498425 /nfs/dbraw/zinc/49/84/25/719498425.db2.gz ZGSWAMTVXSCBDW-UHFFFAOYSA-N 1 2 434.515 4.279 20 0 IIADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(-c2ccccc2)c2ccccc2n1 ZINC001164707211 719867127 /nfs/dbraw/zinc/86/71/27/719867127.db2.gz RIIJGUPIYDVBQU-KDYSTLNUSA-N 1 2 445.563 4.135 20 0 IIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2c(Cl)nccc2c1 ZINC001164721045 720316685 /nfs/dbraw/zinc/31/66/85/720316685.db2.gz DCMHLJAFFVVNHV-LJQANCHMSA-N 1 2 447.917 4.450 20 0 IIADLO FC(F)(c1nc(Cl)c2ccccc2n1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757081 720974260 /nfs/dbraw/zinc/97/42/60/720974260.db2.gz MMUQNXPRXRLACT-HNNXBMFYSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(c1ccc2ncc(Cl)nc2c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164757723 720974650 /nfs/dbraw/zinc/97/46/50/720974650.db2.gz PXGABDMUFCMPSQ-HNNXBMFYSA-N 1 2 433.890 4.088 20 0 IIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3ccnc(Cl)c3c2)CC1 ZINC001164916226 721814937 /nfs/dbraw/zinc/81/49/37/721814937.db2.gz BESGFKOIAMBYKW-UHFFFAOYSA-N 1 2 431.918 4.379 20 0 IIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3ccnc(Cl)c3c2)CC1 ZINC001164916226 721814939 /nfs/dbraw/zinc/81/49/39/721814939.db2.gz BESGFKOIAMBYKW-UHFFFAOYSA-N 1 2 431.918 4.379 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2cccc(C)c2)CC1 ZINC001164918486 721821201 /nfs/dbraw/zinc/82/12/01/721821201.db2.gz DUHMOENONMBGMV-UHFFFAOYSA-N 1 2 438.963 4.177 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3[nH]ccc31)CC2 ZINC001164659874 719345732 /nfs/dbraw/zinc/34/57/32/719345732.db2.gz FYWLUUQAKYEZEL-UHFFFAOYSA-N 1 2 447.974 4.306 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc3[nH]ccc31)CC2 ZINC001164659874 719345735 /nfs/dbraw/zinc/34/57/35/719345735.db2.gz FYWLUUQAKYEZEL-UHFFFAOYSA-N 1 2 447.974 4.306 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nncc3ccc(F)cc31)CC2 ZINC001164658891 719350823 /nfs/dbraw/zinc/35/08/23/719350823.db2.gz LGXBOYFWEHQOPL-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nncc3ccc(F)cc31)CC2 ZINC001164658891 719350827 /nfs/dbraw/zinc/35/08/27/719350827.db2.gz LGXBOYFWEHQOPL-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3scnc31)CC2 ZINC001164658496 719351269 /nfs/dbraw/zinc/35/12/69/719351269.db2.gz HQQOXFGHUPXYOO-UHFFFAOYSA-N 1 2 430.581 4.386 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3scnc31)CC2 ZINC001164658496 719351271 /nfs/dbraw/zinc/35/12/71/719351271.db2.gz HQQOXFGHUPXYOO-UHFFFAOYSA-N 1 2 430.581 4.386 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ncc(F)cc3n1)CC2 ZINC001164658051 719353391 /nfs/dbraw/zinc/35/33/91/719353391.db2.gz CHQXGKMTFJIVCN-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ncc(F)cc3n1)CC2 ZINC001164658051 719353394 /nfs/dbraw/zinc/35/33/94/719353394.db2.gz CHQXGKMTFJIVCN-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CC[C@H](C)C3)CC2 ZINC001164659668 719355216 /nfs/dbraw/zinc/35/52/16/719355216.db2.gz ROTTWOFNEBCHFQ-FQEVSTJZSA-N 1 2 442.611 4.296 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CC[C@H](C)C3)CC2 ZINC001164659668 719355218 /nfs/dbraw/zinc/35/52/18/719355218.db2.gz ROTTWOFNEBCHFQ-FQEVSTJZSA-N 1 2 442.611 4.296 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cnc4cccc(Cl)c4n2)CC3)cc1 ZINC001164673855 719499453 /nfs/dbraw/zinc/49/94/53/719499453.db2.gz SJCSFGCGZNNMPR-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cnc4cccc(Cl)c4n2)CC3)cc1 ZINC001164673855 719499462 /nfs/dbraw/zinc/49/94/62/719499462.db2.gz SJCSFGCGZNNMPR-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cnc4ccc(Cl)cc4n2)CC3)cc1 ZINC001164673030 719504842 /nfs/dbraw/zinc/50/48/42/719504842.db2.gz MOIFCCJKUKXWTN-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cnc4ccc(Cl)cc4n2)CC3)cc1 ZINC001164673030 719504844 /nfs/dbraw/zinc/50/48/44/719504844.db2.gz MOIFCCJKUKXWTN-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncc4c(Cl)cccc4n2)CC3)cc1 ZINC001164671540 719510006 /nfs/dbraw/zinc/51/00/06/719510006.db2.gz FOCIBSVMUJPWCN-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncc4c(Cl)cccc4n2)CC3)cc1 ZINC001164671540 719510016 /nfs/dbraw/zinc/51/00/16/719510016.db2.gz FOCIBSVMUJPWCN-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Cc1cccc(-c2ccc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)nn2)c1 ZINC001164672688 719522678 /nfs/dbraw/zinc/52/26/78/719522678.db2.gz MTLDRWBTRVQXDV-UHFFFAOYSA-N 1 2 432.543 4.463 20 0 IIADLO Cc1cccc(-c2ccc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)nn2)c1 ZINC001164672688 719522688 /nfs/dbraw/zinc/52/26/88/719522688.db2.gz MTLDRWBTRVQXDV-UHFFFAOYSA-N 1 2 432.543 4.463 20 0 IIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164721845 720314447 /nfs/dbraw/zinc/31/44/47/720314447.db2.gz IBQYMFKILALEMT-IBGZPJMESA-N 1 2 447.917 4.450 20 0 IIADLO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781194 721416951 /nfs/dbraw/zinc/41/69/51/721416951.db2.gz CQBINDCDRJZXFS-IYBDPMFKSA-N 1 2 447.942 4.367 20 0 IIADLO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781194 721416954 /nfs/dbraw/zinc/41/69/54/721416954.db2.gz CQBINDCDRJZXFS-IYBDPMFKSA-N 1 2 447.942 4.367 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001165010839 721701526 /nfs/dbraw/zinc/70/15/26/721701526.db2.gz NLCWUJKGIYJNCF-UHFFFAOYSA-N 1 2 427.556 4.139 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccccc3)nc3ccccc31)C2 ZINC001165010839 721701529 /nfs/dbraw/zinc/70/15/29/721701529.db2.gz NLCWUJKGIYJNCF-UHFFFAOYSA-N 1 2 427.556 4.139 20 0 IIADLO Cc1ccc(-c2nc3ccccc3c(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)n2)cc1 ZINC001165010085 721708938 /nfs/dbraw/zinc/70/89/38/721708938.db2.gz ZISWLVAKNYVTMQ-UHFFFAOYSA-N 1 2 441.583 4.447 20 0 IIADLO Cc1ccc(-c2nc3ccccc3c(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)n2)cc1 ZINC001165010085 721708945 /nfs/dbraw/zinc/70/89/45/721708945.db2.gz ZISWLVAKNYVTMQ-UHFFFAOYSA-N 1 2 441.583 4.447 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001165008538 721711168 /nfs/dbraw/zinc/71/11/68/721711168.db2.gz GNHAESNQTLNOSP-UHFFFAOYSA-N 1 2 440.979 4.156 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncc(OCc3ccccc3)cc1Cl)C2 ZINC001165008538 721711170 /nfs/dbraw/zinc/71/11/70/721711170.db2.gz GNHAESNQTLNOSP-UHFFFAOYSA-N 1 2 440.979 4.156 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC001164918916 721819034 /nfs/dbraw/zinc/81/90/34/721819034.db2.gz XGVUPIFFRZHIPV-UHFFFAOYSA-N 1 2 442.542 4.382 20 0 IIADLO CCOC(=O)c1c(C[NH2+][C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)occ1C(F)(F)F ZINC001460687205 1126191382 /nfs/dbraw/zinc/19/13/82/1126191382.db2.gz DHPWQUHVMZAZQS-BBRMVZONSA-N 1 2 439.352 4.099 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(Cl)cc1OC)CC2 ZINC001164664164 719348107 /nfs/dbraw/zinc/34/81/07/719348107.db2.gz SQFURXSRBOWKBC-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cnc(Cl)cc1OC)CC2 ZINC001164664164 719348112 /nfs/dbraw/zinc/34/81/12/719348112.db2.gz SQFURXSRBOWKBC-UHFFFAOYSA-N 1 2 437.975 4.438 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nnc(Cl)c4ccccc42)CC3)cc1 ZINC001164672294 719495882 /nfs/dbraw/zinc/49/58/82/719495882.db2.gz INDXDBLZAMXRIH-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nnc(Cl)c4ccccc42)CC3)cc1 ZINC001164672294 719495887 /nfs/dbraw/zinc/49/58/87/719495887.db2.gz INDXDBLZAMXRIH-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO COc1ccccc1-c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)n1 ZINC001164673943 719524019 /nfs/dbraw/zinc/52/40/19/719524019.db2.gz UPBFYWJQJOXKJY-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO COc1ccccc1-c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)n1 ZINC001164673943 719524030 /nfs/dbraw/zinc/52/40/30/719524030.db2.gz UPBFYWJQJOXKJY-UHFFFAOYSA-N 1 2 448.542 4.163 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nnc(Cl)c4ccc(F)cc42)CC3)cc1 ZINC001164678485 719527744 /nfs/dbraw/zinc/52/77/44/719527744.db2.gz LLLUBLNZGWTNBQ-UHFFFAOYSA-N 1 2 444.913 4.433 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nnc(Cl)c4ccc(F)cc42)CC3)cc1 ZINC001164678485 719527754 /nfs/dbraw/zinc/52/77/54/719527754.db2.gz LLLUBLNZGWTNBQ-UHFFFAOYSA-N 1 2 444.913 4.433 20 0 IIADLO FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164677264 719566983 /nfs/dbraw/zinc/56/69/83/719566983.db2.gz XSLGYCFSLIPOEA-UHFFFAOYSA-N 1 2 448.886 4.199 20 0 IIADLO FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871805 721218271 /nfs/dbraw/zinc/21/82/71/721218271.db2.gz LTBDDNODIIYAKK-UHFFFAOYSA-N 1 2 445.901 4.099 20 0 IIADLO FC(F)(Sc1ccc(Cl)nc1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870764 721221677 /nfs/dbraw/zinc/22/16/77/721221677.db2.gz HWSSCGSJRVVNMX-UHFFFAOYSA-N 1 2 426.920 4.144 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3scc(-c4ccccc4)c31)C2 ZINC001165011420 721698799 /nfs/dbraw/zinc/69/87/99/721698799.db2.gz SGOIBGPBCNSFLF-UHFFFAOYSA-N 1 2 433.585 4.200 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3scc(-c4ccccc4)c31)C2 ZINC001165011420 721698803 /nfs/dbraw/zinc/69/88/03/721698803.db2.gz SGOIBGPBCNSFLF-UHFFFAOYSA-N 1 2 433.585 4.200 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2ccc(F)cc2)CC1 ZINC001164917247 721819371 /nfs/dbraw/zinc/81/93/71/721819371.db2.gz FJICNORHFRLIPT-UHFFFAOYSA-N 1 2 442.926 4.007 20 0 IIADLO FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055367 722013879 /nfs/dbraw/zinc/01/38/79/722013879.db2.gz GWRDBPOQPLRNGV-UHFFFAOYSA-N 1 2 438.309 4.241 20 0 IIADLO FC(F)(c1ccc(Cl)nc1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164420360 718889461 /nfs/dbraw/zinc/88/94/61/718889461.db2.gz UQMHXHSWMUDMLK-CYBMUJFWSA-N 1 2 443.679 4.268 20 0 IIADLO FC(F)(c1ccnc(Cl)c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416247 718889470 /nfs/dbraw/zinc/88/94/70/718889470.db2.gz CICNBAXGNMKOGA-CYBMUJFWSA-N 1 2 443.679 4.268 20 0 IIADLO CC(C)(c1ccnc(Cl)c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419980 718891180 /nfs/dbraw/zinc/89/11/80/718891180.db2.gz SQCBKJBUYDSZLY-OAHLLOKOSA-N 1 2 435.753 4.454 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c2CCCC4)CC3)cc1 ZINC001164673777 719497879 /nfs/dbraw/zinc/49/78/79/719497879.db2.gz RPOGOXOMJLYSTA-UHFFFAOYSA-N 1 2 430.955 4.019 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c2CCCC4)CC3)cc1 ZINC001164673777 719497885 /nfs/dbraw/zinc/49/78/85/719497885.db2.gz RPOGOXOMJLYSTA-UHFFFAOYSA-N 1 2 430.955 4.019 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc(Oc4ccccc4)n2)CC3)cc1 ZINC001164674348 719499591 /nfs/dbraw/zinc/49/95/91/719499591.db2.gz VEIQLURXLNVKIB-UHFFFAOYSA-N 1 2 434.515 4.279 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc(Oc4ccccc4)n2)CC3)cc1 ZINC001164674348 719499599 /nfs/dbraw/zinc/49/95/99/719499599.db2.gz VEIQLURXLNVKIB-UHFFFAOYSA-N 1 2 434.515 4.279 20 0 IIADLO CSc1nc2c(c(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)n1)CCCC2 ZINC001164672282 719505636 /nfs/dbraw/zinc/50/56/36/719505636.db2.gz IGLKNALFOJBRNH-UHFFFAOYSA-N 1 2 442.604 4.088 20 0 IIADLO CSc1nc2c(c(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)n1)CCCC2 ZINC001164672282 719505639 /nfs/dbraw/zinc/50/56/39/719505639.db2.gz IGLKNALFOJBRNH-UHFFFAOYSA-N 1 2 442.604 4.088 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nncc4cc(Cl)ccc42)CC3)cc1 ZINC001164673329 719511260 /nfs/dbraw/zinc/51/12/60/719511260.db2.gz OMGDIRJKZDOWFM-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nncc4cc(Cl)ccc42)CC3)cc1 ZINC001164673329 719511272 /nfs/dbraw/zinc/51/12/72/719511272.db2.gz OMGDIRJKZDOWFM-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccnc2Oc2ccccc2)CC3)cc1 ZINC001164678754 719527847 /nfs/dbraw/zinc/52/78/47/719527847.db2.gz NCEVSGSBXHZJAG-UHFFFAOYSA-N 1 2 434.515 4.279 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccnc2Oc2ccccc2)CC3)cc1 ZINC001164678754 719527854 /nfs/dbraw/zinc/52/78/54/719527854.db2.gz NCEVSGSBXHZJAG-UHFFFAOYSA-N 1 2 434.515 4.279 20 0 IIADLO FC(F)(c1cc(Cl)ncc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164870071 721216742 /nfs/dbraw/zinc/21/67/42/721216742.db2.gz FBYJRWRLAJBAMT-UHFFFAOYSA-N 1 2 429.298 4.204 20 0 IIADLO FC(F)(c1cc(Cl)cnc1Cl)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164766107 721271938 /nfs/dbraw/zinc/27/19/38/721271938.db2.gz NBBXIEMTJNRWCJ-ZDUSSCGKSA-N 1 2 440.281 4.240 20 0 IIADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164812254 721581844 /nfs/dbraw/zinc/58/18/44/721581844.db2.gz ZRJZQOFNMVGIDY-MZKUHISZSA-N 1 2 443.595 4.098 20 0 IIADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@@H]2CCCO[C@H]12 ZINC001164812254 721581847 /nfs/dbraw/zinc/58/18/47/721581847.db2.gz ZRJZQOFNMVGIDY-MZKUHISZSA-N 1 2 443.595 4.098 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001165008228 721708756 /nfs/dbraw/zinc/70/87/56/721708756.db2.gz CUHPBWYGMTYUGP-UHFFFAOYSA-N 1 2 434.922 4.275 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(F)(F)c1cc3ccccc3nc1Cl)C2 ZINC001165008228 721708765 /nfs/dbraw/zinc/70/87/65/721708765.db2.gz CUHPBWYGMTYUGP-UHFFFAOYSA-N 1 2 434.922 4.275 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccsc3)nc3ccccc31)C2 ZINC001165008634 721713573 /nfs/dbraw/zinc/71/35/73/721713573.db2.gz JQAVKZNZHCGTMN-UHFFFAOYSA-N 1 2 433.585 4.200 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(-c3ccsc3)nc3ccccc31)C2 ZINC001165008634 721713579 /nfs/dbraw/zinc/71/35/79/721713579.db2.gz JQAVKZNZHCGTMN-UHFFFAOYSA-N 1 2 433.585 4.200 20 0 IIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cccc3c(Cl)nccc32)CC1 ZINC001164917282 721817461 /nfs/dbraw/zinc/81/74/61/721817461.db2.gz GEVGTTHDDSXMDD-UHFFFAOYSA-N 1 2 431.918 4.379 20 0 IIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cccc3c(Cl)nccc32)CC1 ZINC001164917282 721817465 /nfs/dbraw/zinc/81/74/65/721817465.db2.gz GEVGTTHDDSXMDD-UHFFFAOYSA-N 1 2 431.918 4.379 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C)nc3sc4c(c32)CCCCC4)CC1 ZINC001164917832 721819525 /nfs/dbraw/zinc/81/95/25/721819525.db2.gz IXJASSQLVYVRTE-UHFFFAOYSA-N 1 2 436.629 4.215 20 0 IIADLO CC(C)(C)OC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164673812 719496462 /nfs/dbraw/zinc/49/64/62/719496462.db2.gz SFCJEXQEVRAQST-UHFFFAOYSA-N 1 2 441.547 4.047 20 0 IIADLO CC(C)(C)OC(=O)c1ccnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164673812 719496472 /nfs/dbraw/zinc/49/64/72/719496472.db2.gz SFCJEXQEVRAQST-UHFFFAOYSA-N 1 2 441.547 4.047 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncc4c(n2)-c2ccccc2CC4)CC3)cc1 ZINC001164673979 719517211 /nfs/dbraw/zinc/51/72/11/719517211.db2.gz WOIRGFMPNQWXJZ-UHFFFAOYSA-N 1 2 444.554 4.253 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncc4c(n2)-c2ccccc2CC4)CC3)cc1 ZINC001164673979 719517217 /nfs/dbraw/zinc/51/72/17/719517217.db2.gz WOIRGFMPNQWXJZ-UHFFFAOYSA-N 1 2 444.554 4.253 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(-c4ccc(F)cc4)ncn2)CC3)cc1 ZINC001164673973 719523399 /nfs/dbraw/zinc/52/33/99/719523399.db2.gz WGXFJADYBOHXKT-UHFFFAOYSA-N 1 2 436.506 4.293 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(-c4ccc(F)cc4)ncn2)CC3)cc1 ZINC001164673973 719523409 /nfs/dbraw/zinc/52/34/09/719523409.db2.gz WGXFJADYBOHXKT-UHFFFAOYSA-N 1 2 436.506 4.293 20 0 IIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164723254 720315519 /nfs/dbraw/zinc/31/55/19/720315519.db2.gz MYIQLGXEXIQHHY-SFHVURJKSA-N 1 2 447.917 4.450 20 0 IIADLO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164812247 721581905 /nfs/dbraw/zinc/58/19/05/721581905.db2.gz ZRJZQOFNMVGIDY-DGWZTRNLSA-N 1 2 443.595 4.098 20 0 IIADLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(N3CCCC3)cc3ccccc32)[C@@H]2CCCO[C@@H]12 ZINC001164812247 721581909 /nfs/dbraw/zinc/58/19/09/721581909.db2.gz ZRJZQOFNMVGIDY-DGWZTRNLSA-N 1 2 443.595 4.098 20 0 IIADLO Cc1c[nH+]c2n1CCN(C)C21CCN(c2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC001164918931 721820693 /nfs/dbraw/zinc/82/06/93/721820693.db2.gz IYCUTOVADCHQPB-UHFFFAOYSA-N 1 2 432.906 4.167 20 0 IIADLO FC(F)(c1ccnc(Cl)c1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416248 718889526 /nfs/dbraw/zinc/88/95/26/718889526.db2.gz CICNBAXGNMKOGA-ZDUSSCGKSA-N 1 2 443.679 4.268 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(F)cccc31)CC2 ZINC001164663803 719349089 /nfs/dbraw/zinc/34/90/89/719349089.db2.gz MINPASQSCZIKSU-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c(F)cccc31)CC2 ZINC001164663803 719349093 /nfs/dbraw/zinc/34/90/93/719349093.db2.gz MINPASQSCZIKSU-UHFFFAOYSA-N 1 2 442.542 4.464 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)CCCC3)CC2 ZINC001164660653 719355131 /nfs/dbraw/zinc/35/51/31/719355131.db2.gz WMKOLRNWSQFVCQ-UHFFFAOYSA-N 1 2 428.584 4.050 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)CCCC3)CC2 ZINC001164660653 719355134 /nfs/dbraw/zinc/35/51/34/719355134.db2.gz WMKOLRNWSQFVCQ-UHFFFAOYSA-N 1 2 428.584 4.050 20 0 IIADLO CCc1c(Cl)nnc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1CC ZINC001164673778 719508420 /nfs/dbraw/zinc/50/84/20/719508420.db2.gz RRJYUECSGGJPAQ-UHFFFAOYSA-N 1 2 432.971 4.265 20 0 IIADLO CCc1c(Cl)nnc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1CC ZINC001164673778 719508443 /nfs/dbraw/zinc/50/84/43/719508443.db2.gz RRJYUECSGGJPAQ-UHFFFAOYSA-N 1 2 432.971 4.265 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncnc4sc5c(c42)CCC5)CC3)cc1 ZINC001164671564 719520969 /nfs/dbraw/zinc/52/09/69/719520969.db2.gz FYWFQWJVOKZBJY-UHFFFAOYSA-N 1 2 438.572 4.191 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncnc4sc5c(c42)CCC5)CC3)cc1 ZINC001164671564 719520975 /nfs/dbraw/zinc/52/09/75/719520975.db2.gz FYWFQWJVOKZBJY-UHFFFAOYSA-N 1 2 438.572 4.191 20 0 IIADLO FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001164676991 719568528 /nfs/dbraw/zinc/56/85/28/719568528.db2.gz UGXDXWFPDXXEBS-UHFFFAOYSA-N 1 2 431.830 4.335 20 0 IIADLO NC(=O)c1ccc(-c2c[nH+]c3n2CCC32CCN([C@@H](F)c3ccnc(Cl)c3)CC2)cc1 ZINC001164695013 719830130 /nfs/dbraw/zinc/83/01/30/719830130.db2.gz AJZJJZPZCILUBC-HXUWFJFHSA-N 1 2 439.922 4.103 20 0 IIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2ccc3ccc(Cl)nc3c2)CC1 ZINC001164916771 721815120 /nfs/dbraw/zinc/81/51/20/721815120.db2.gz GHHJCUOLQWAZEJ-UHFFFAOYSA-N 1 2 431.918 4.379 20 0 IIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2ccc3ccc(Cl)nc3c2)CC1 ZINC001164916771 721815121 /nfs/dbraw/zinc/81/51/21/721815121.db2.gz GHHJCUOLQWAZEJ-UHFFFAOYSA-N 1 2 431.918 4.379 20 0 IIADLO Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc3c2CCCCC3)CC1 ZINC001164919116 721822009 /nfs/dbraw/zinc/82/20/09/721822009.db2.gz MRPZGFFFSDGTSR-UHFFFAOYSA-N 1 2 449.977 4.495 20 0 IIADLO Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2cc(Cl)nc3c2CCCCC3)CC1 ZINC001164919116 721822011 /nfs/dbraw/zinc/82/20/11/721822011.db2.gz MRPZGFFFSDGTSR-UHFFFAOYSA-N 1 2 449.977 4.495 20 0 IIADLO FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054883 722017933 /nfs/dbraw/zinc/01/79/33/722017933.db2.gz HYEKEQBOGFPLIH-UHFFFAOYSA-N 1 2 429.902 4.102 20 0 IIADLO COc1ccc2[nH+]c(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)cc(C)c2c1 ZINC001164994576 722181733 /nfs/dbraw/zinc/18/17/33/722181733.db2.gz ZJWNXAWLMNEYPE-GOTSBHOMSA-N 1 2 438.597 4.187 20 0 IIADLO FC(F)(c1cccc(Cl)n1)N1CCO[C@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164419793 718889630 /nfs/dbraw/zinc/88/96/30/718889630.db2.gz RCQGOEDWDMMJDJ-LBPRGKRZSA-N 1 2 443.679 4.268 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(C)c1C)CC2 ZINC001164661385 719345182 /nfs/dbraw/zinc/34/51/82/719345182.db2.gz KSVYAUUZHMRQQT-UHFFFAOYSA-N 1 2 436.991 4.442 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(Cl)nc(C)c1C)CC2 ZINC001164661385 719345184 /nfs/dbraw/zinc/34/51/84/719345184.db2.gz KSVYAUUZHMRQQT-UHFFFAOYSA-N 1 2 436.991 4.442 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CC[C@@H](C)C3)CC2 ZINC001164659677 719355560 /nfs/dbraw/zinc/35/55/60/719355560.db2.gz ROTTWOFNEBCHFQ-HXUWFJFHSA-N 1 2 442.611 4.296 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CC[C@@H](C)C3)CC2 ZINC001164659677 719355563 /nfs/dbraw/zinc/35/55/63/719355563.db2.gz ROTTWOFNEBCHFQ-HXUWFJFHSA-N 1 2 442.611 4.296 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4cccc(F)c42)CC3)cc1 ZINC001164673065 719501537 /nfs/dbraw/zinc/50/15/37/719501537.db2.gz MUMYATALICVGQS-UHFFFAOYSA-N 1 2 444.913 4.433 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4cccc(F)c42)CC3)cc1 ZINC001164673065 719501542 /nfs/dbraw/zinc/50/15/42/719501542.db2.gz MUMYATALICVGQS-UHFFFAOYSA-N 1 2 444.913 4.433 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc4cc(Cl)cnc4n2)CC3)cc1 ZINC001164672164 719503686 /nfs/dbraw/zinc/50/36/86/719503686.db2.gz GKDKTLYUBMZFIO-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc4cc(Cl)cnc4n2)CC3)cc1 ZINC001164672164 719503692 /nfs/dbraw/zinc/50/36/92/719503692.db2.gz GKDKTLYUBMZFIO-UHFFFAOYSA-N 1 2 426.923 4.294 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(OCc4ccccc4)cnn2)CC3)cc1 ZINC001164673376 719512818 /nfs/dbraw/zinc/51/28/18/719512818.db2.gz QSGQYSAJWMMSQI-UHFFFAOYSA-N 1 2 448.542 4.066 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(OCc4ccccc4)cnn2)CC3)cc1 ZINC001164673376 719512824 /nfs/dbraw/zinc/51/28/24/719512824.db2.gz QSGQYSAJWMMSQI-UHFFFAOYSA-N 1 2 448.542 4.066 20 0 IIADLO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ncc(F)c(-c4ccsc4)n2)CC3)cc1 ZINC001164677329 719531363 /nfs/dbraw/zinc/53/13/63/719531363.db2.gz CPSSHVAYHIQPAK-UHFFFAOYSA-N 1 2 442.535 4.355 20 0 IIADLO Fc1ccc(C[N@H+]2CCOCC23CCN(c2ncc(F)c(-c4ccsc4)n2)CC3)cc1 ZINC001164677329 719531368 /nfs/dbraw/zinc/53/13/68/719531368.db2.gz CPSSHVAYHIQPAK-UHFFFAOYSA-N 1 2 442.535 4.355 20 0 IIADLO FC(F)(c1ccc2ncnc(Cl)c2c1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001164755801 720975664 /nfs/dbraw/zinc/97/56/64/720975664.db2.gz BXNPAQHNOKSWQL-HNNXBMFYSA-N 1 2 433.890 4.088 20 0 IIADLO FC(F)(c1nc2ccccc2nc1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164872316 721219330 /nfs/dbraw/zinc/21/93/30/721219330.db2.gz NDQRNNFUZYCMPL-UHFFFAOYSA-N 1 2 445.901 4.099 20 0 IIADLO FC(F)(c1cnc(Cl)c(C2CC2)c1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001164768108 721277970 /nfs/dbraw/zinc/27/79/70/721277970.db2.gz JWDANEQQMDUQAP-HNNXBMFYSA-N 1 2 445.901 4.464 20 0 IIADLO Cc1nc(COC[C@@H]2Cn3nccc3C[N@@H+](C(C)(C)c3ccnc(Cl)c3)C2)cs1 ZINC001164877410 721332701 /nfs/dbraw/zinc/33/27/01/721332701.db2.gz TZXKZZXORDGDLR-INIZCTEOSA-N 1 2 431.993 4.280 20 0 IIADLO Cc1nc(COC[C@@H]2Cn3nccc3C[N@H+](C(C)(C)c3ccnc(Cl)c3)C2)cs1 ZINC001164877410 721332704 /nfs/dbraw/zinc/33/27/04/721332704.db2.gz TZXKZZXORDGDLR-INIZCTEOSA-N 1 2 431.993 4.280 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ncnc3scc(-c4cccs4)c31)C2 ZINC001165011659 721698788 /nfs/dbraw/zinc/69/87/88/721698788.db2.gz ULOKLSJPDTUBFQ-UHFFFAOYSA-N 1 2 439.614 4.262 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ncnc3scc(-c4cccs4)c31)C2 ZINC001165011659 721698790 /nfs/dbraw/zinc/69/87/90/721698790.db2.gz ULOKLSJPDTUBFQ-UHFFFAOYSA-N 1 2 439.614 4.262 20 0 IIADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001165010451 721719995 /nfs/dbraw/zinc/71/99/95/721719995.db2.gz HJWMRGKIVQCEEM-UHFFFAOYSA-N 1 2 435.910 4.063 20 0 IIADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(C(F)F)nc3ccc(Cl)cc31)C2 ZINC001165010451 721720002 /nfs/dbraw/zinc/72/00/02/721720002.db2.gz HJWMRGKIVQCEEM-UHFFFAOYSA-N 1 2 435.910 4.063 20 0 IIADLO FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045458 721960090 /nfs/dbraw/zinc/96/00/90/721960090.db2.gz UREVRBYBNVKUOL-UHFFFAOYSA-N 1 2 434.874 4.136 20 0 IIADLO FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056514 722014818 /nfs/dbraw/zinc/01/48/18/722014818.db2.gz UVRCPNIASFLGTB-UHFFFAOYSA-N 1 2 429.902 4.102 20 0 IIADLO F[C@H](c1ccnc(Cl)c1)N1CCO[C@@H](c2[nH+]cn3c2cccc3Br)C1 ZINC001164416218 718889894 /nfs/dbraw/zinc/88/98/94/718889894.db2.gz CCJXMPJWFRYUTD-DYVFJYSZSA-N 1 2 425.689 4.187 20 0 IIADLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ncc[nH]3)ccn1)CC2 ZINC001164660751 719352492 /nfs/dbraw/zinc/35/24/92/719352492.db2.gz YMPJZFAIOZATLT-UHFFFAOYSA-N 1 2 439.567 4.166 20 0 IIADLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ncc[nH]3)ccn1)CC2 ZINC001164660751 719352494 /nfs/dbraw/zinc/35/24/94/719352494.db2.gz YMPJZFAIOZATLT-UHFFFAOYSA-N 1 2 439.567 4.166 20 0 IIADLO Cc1sc2ncnc(N3CCC4(CC3)COCC[N@@H+]4Cc3ccc(F)cc3)c2c1C ZINC001164674403 719496317 /nfs/dbraw/zinc/49/63/17/719496317.db2.gz WEJMPNLBRRUZTG-UHFFFAOYSA-N 1 2 426.561 4.319 20 0 IIADLO Cc1sc2ncnc(N3CCC4(CC3)COCC[N@H+]4Cc3ccc(F)cc3)c2c1C ZINC001164674403 719496320 /nfs/dbraw/zinc/49/63/20/719496320.db2.gz WEJMPNLBRRUZTG-UHFFFAOYSA-N 1 2 426.561 4.319 20 0 IIADLO CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164721073 720314347 /nfs/dbraw/zinc/31/43/47/720314347.db2.gz DKZRHQPTHWRQFZ-LJQANCHMSA-N 1 2 447.917 4.450 20 0 IIADLO CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC001164726221 720318415 /nfs/dbraw/zinc/31/84/15/720318415.db2.gz YQLYFZBNPZWJQL-SFHVURJKSA-N 1 2 437.922 4.175 20 0 IIADLO FC(F)(c1cc(Cl)nc(Cl)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164871192 721216756 /nfs/dbraw/zinc/21/67/56/721216756.db2.gz IVBDLVGEQAVPPT-UHFFFAOYSA-N 1 2 429.298 4.204 20 0 IIADLO FC(F)(c1ccc2ncc(Cl)nc2c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164869472 721218315 /nfs/dbraw/zinc/21/83/15/721218315.db2.gz CMWJXVKVKBARMZ-UHFFFAOYSA-N 1 2 445.901 4.099 20 0 IIADLO FC(F)(c1ccnc(Cl)c1Cl)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001164873540 721218669 /nfs/dbraw/zinc/21/86/69/721218669.db2.gz RXEIRJRIDKFFFK-UHFFFAOYSA-N 1 2 429.298 4.204 20 0 IIADLO FC(F)(c1ccnc(Cl)c1Cl)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001164765809 721271973 /nfs/dbraw/zinc/27/19/73/721271973.db2.gz LDSINIRZAUDLPY-CYBMUJFWSA-N 1 2 440.281 4.240 20 0 IIADLO c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H]5CCC[C@@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796626 721505228 /nfs/dbraw/zinc/50/52/28/721505228.db2.gz URLGWTILGMWHJJ-AMGIVPHBSA-N 1 2 441.579 4.115 20 0 IIADLO c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H]5CCC[C@@]5(COc5ccccn5)C4)c3C2)cc1 ZINC001164796626 721505231 /nfs/dbraw/zinc/50/52/31/721505231.db2.gz URLGWTILGMWHJJ-AMGIVPHBSA-N 1 2 441.579 4.115 20 0 IIADLO O=C(c1cccnc1N1CCCC[C@H]1c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001165046053 721963147 /nfs/dbraw/zinc/96/31/47/721963147.db2.gz HLSRDGFUGDCLCH-VWLOTQADSA-N 1 2 441.579 4.166 20 0 IIADLO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054789 722019158 /nfs/dbraw/zinc/01/91/58/722019158.db2.gz CJUNCJVEVCPBHG-UHFFFAOYSA-N 1 2 429.902 4.102 20 0 IIADLO