smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c3ccccc32)cc1 ZINC001164652945 719314619 /nfs/dbraw/zinc/31/46/19/719314619.db2.gz UZQMLOORVAXCMT-UHFFFAOYSA-N 1 1 440.595 5.007 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)nc(Cl)c2)CC3)cs1 ZINC001164690831 719803831 /nfs/dbraw/zinc/80/38/31/719803831.db2.gz AQKRJFCVWRJWKT-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)nc(Cl)c2)CC3)cs1 ZINC001164690831 719803836 /nfs/dbraw/zinc/80/38/36/719803836.db2.gz AQKRJFCVWRJWKT-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(-c4ccccc4)cc(Cl)n2)CC3)cs1 ZINC001164694472 719808336 /nfs/dbraw/zinc/80/83/36/719808336.db2.gz YOSCTVBTTOREDD-UHFFFAOYSA-N 1 1 439.028 5.802 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(C)(C)C)nc(C(C)C)n2)CC3)cs1 ZINC001164693663 719815313 /nfs/dbraw/zinc/81/53/13/719815313.db2.gz YENGJJICHFWEIS-UHFFFAOYSA-N 1 1 427.662 5.297 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc4cccc(F)c42)CC3)cs1 ZINC001164704502 719817340 /nfs/dbraw/zinc/81/73/40/719817340.db2.gz YSZBMUFKFFINTL-UHFFFAOYSA-N 1 1 430.980 5.427 20 0 IKADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729871 720356313 /nfs/dbraw/zinc/35/63/13/720356313.db2.gz YQTJKHOOBVCMCF-YADHBBJMSA-N 1 1 440.925 5.195 20 0 IKADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729871 720356317 /nfs/dbraw/zinc/35/63/17/720356317.db2.gz YQTJKHOOBVCMCF-YADHBBJMSA-N 1 1 440.925 5.195 20 0 IKADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729861 720356636 /nfs/dbraw/zinc/35/66/36/720356636.db2.gz YQTJKHOOBVCMCF-FCHUYYIVSA-N 1 1 440.925 5.195 20 0 IKADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729861 720356642 /nfs/dbraw/zinc/35/66/42/720356642.db2.gz YQTJKHOOBVCMCF-FCHUYYIVSA-N 1 1 440.925 5.195 20 0 IKADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722563 720372175 /nfs/dbraw/zinc/37/21/75/720372175.db2.gz DMMKURLXBWEYNB-VQTJNVASSA-N 1 1 449.332 5.335 20 0 IKADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722563 720372178 /nfs/dbraw/zinc/37/21/78/720372178.db2.gz DMMKURLXBWEYNB-VQTJNVASSA-N 1 1 449.332 5.335 20 0 IKADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722566 720373005 /nfs/dbraw/zinc/37/30/05/720373005.db2.gz DMMKURLXBWEYNB-WOJBJXKFSA-N 1 1 449.332 5.335 20 0 IKADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722566 720373010 /nfs/dbraw/zinc/37/30/10/720373010.db2.gz DMMKURLXBWEYNB-WOJBJXKFSA-N 1 1 449.332 5.335 20 0 IKADMO Clc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164731057 720380161 /nfs/dbraw/zinc/38/01/61/720380161.db2.gz YOMUZHYXMYOYIE-RPWUZVMVSA-N 1 1 441.966 5.198 20 0 IKADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725451 720399637 /nfs/dbraw/zinc/39/96/37/720399637.db2.gz NMMIEXVHYABDSX-RPWUZVMVSA-N 1 1 441.966 5.198 20 0 IKADMO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164731917 720414797 /nfs/dbraw/zinc/41/47/97/720414797.db2.gz MJVYYGGAJXDZGJ-UXHICEINSA-N 1 1 447.995 5.260 20 0 IKADMO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164731922 720414885 /nfs/dbraw/zinc/41/48/85/720414885.db2.gz MJVYYGGAJXDZGJ-VQTJNVASSA-N 1 1 447.995 5.260 20 0 IKADMO Clc1ccc2nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc(-c3ccccc3)c2c1 ZINC001164731571 720433614 /nfs/dbraw/zinc/43/36/14/720433614.db2.gz LWZDACWDCVZDOS-DNQXCXABSA-N 1 1 441.966 5.198 20 0 IKADMO Clc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164735039 720434436 /nfs/dbraw/zinc/43/44/36/720434436.db2.gz VELFFORQVHJBDH-RTWAWAEBSA-N 1 1 447.995 5.260 20 0 IKADMO Clc1ccc(-c2cc3ncnc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c3s2)cc1 ZINC001164735058 720438963 /nfs/dbraw/zinc/43/89/63/720438963.db2.gz VKXMTJYSJFQXLK-NHCUHLMSSA-N 1 1 447.995 5.260 20 0 IKADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732839 720440645 /nfs/dbraw/zinc/44/06/45/720440645.db2.gz OOKCVSGTCCBCJQ-MOPGFXCFSA-N 1 1 447.633 5.285 20 0 IKADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164728632 720455402 /nfs/dbraw/zinc/45/54/02/720455402.db2.gz FUIPRQJZINNMAC-XZOQPEGZSA-N 1 1 439.588 5.120 20 0 IKADMO c1ccc(-c2ccc(-c3ccc(N4CC[C@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)nn3)cc2)cc1 ZINC001164735917 720458695 /nfs/dbraw/zinc/45/86/95/720458695.db2.gz ZLOQGHZIUOMELY-SVBPBHIXSA-N 1 1 433.559 5.059 20 0 IKADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728924 720486151 /nfs/dbraw/zinc/48/61/51/720486151.db2.gz PORGCHNDYQPNFU-RBUKOAKNSA-N 1 1 446.954 5.257 20 0 IKADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728924 720486156 /nfs/dbraw/zinc/48/61/56/720486156.db2.gz PORGCHNDYQPNFU-RBUKOAKNSA-N 1 1 446.954 5.257 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164843209 720676158 /nfs/dbraw/zinc/67/61/58/720676158.db2.gz VJBAONZMMJUREI-NRFANRHFSA-N 1 1 439.962 5.287 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164843633 720676193 /nfs/dbraw/zinc/67/61/93/720676193.db2.gz WQAPBXGBHIKNBV-MRXNPFEDSA-N 1 1 440.802 5.302 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164843324 720681368 /nfs/dbraw/zinc/68/13/68/720681368.db2.gz NVWLJDZREUNZGU-GOSISDBHSA-N 1 1 428.001 5.210 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164841867 720691352 /nfs/dbraw/zinc/69/13/52/720691352.db2.gz JRTFOTCEOGRSSK-JOCHJYFZSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164840572 720691425 /nfs/dbraw/zinc/69/14/25/720691425.db2.gz GTLCFYKDUODPJA-NRFANRHFSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164844437 720691769 /nfs/dbraw/zinc/69/17/69/720691769.db2.gz SBFZGQDVIJILJU-NRFANRHFSA-N 1 1 439.962 5.287 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164842327 720725014 /nfs/dbraw/zinc/72/50/14/720725014.db2.gz YHYJCCMBZNUSRL-HXUWFJFHSA-N 1 1 439.962 5.287 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc3c(Cl)nccc31)[C@@H]2C ZINC001164863404 720986851 /nfs/dbraw/zinc/98/68/51/720986851.db2.gz UZCZQGURTUCAEJ-OAHLLOKOSA-N 1 1 433.934 5.051 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(-c3ccccc3)c3ccccc3n1)[C@H]2C ZINC001164861248 720998807 /nfs/dbraw/zinc/99/88/07/720998807.db2.gz PVTPBRBNKWJSSX-FQEVSTJZSA-N 1 1 425.580 5.520 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)[C@@H]2C ZINC001164863455 721003201 /nfs/dbraw/zinc/00/32/01/721003201.db2.gz VQTBGIUDQVGZIJ-GOSISDBHSA-N 1 1 444.558 5.054 20 0 IKADMO Cc1nc(-c2ccccc2Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1C ZINC001164863671 721012759 /nfs/dbraw/zinc/01/27/59/721012759.db2.gz UPHPDDZXVYNQPK-GOSISDBHSA-N 1 1 439.007 5.032 20 0 IKADMO c1csc(C[NH+]2C[C@@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@H]3C2)n1 ZINC001164788316 721433479 /nfs/dbraw/zinc/43/34/79/721433479.db2.gz SWCNNWJVFSLGFC-DHIUTWEWSA-N 1 1 445.636 5.216 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3ccc(Cl)cc31)CC2 ZINC001164792745 721489772 /nfs/dbraw/zinc/48/97/72/721489772.db2.gz LGYSTQUVNWCGHS-UHFFFAOYSA-N 1 1 442.394 5.213 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)cc1Cl)CC2 ZINC001164793573 721491490 /nfs/dbraw/zinc/49/14/90/721491490.db2.gz SSJHKCKKCZUBIW-UHFFFAOYSA-N 1 1 441.353 5.209 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3c(Cl)cccc31)CC2 ZINC001164792016 721493871 /nfs/dbraw/zinc/49/38/71/721493871.db2.gz JREVBZJRGSMVSW-UHFFFAOYSA-N 1 1 442.394 5.213 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3ccccc3)cc(Cl)n1)CC2 ZINC001164792313 721495419 /nfs/dbraw/zinc/49/54/19/721495419.db2.gz OCCCDBLOUFVPKJ-UHFFFAOYSA-N 1 1 432.999 5.678 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164795509 721499868 /nfs/dbraw/zinc/49/98/68/721499868.db2.gz JMOXLUHHNOVELM-UHFFFAOYSA-N 1 1 433.987 5.073 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)CC2 ZINC001164795393 721500434 /nfs/dbraw/zinc/50/04/34/721500434.db2.gz GEPXWDRENLNWOS-UHFFFAOYSA-N 1 1 435.660 5.348 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc(C3CCCCC3)n1)CC2 ZINC001164796239 721503879 /nfs/dbraw/zinc/50/38/79/721503879.db2.gz QJGUXWYABXJDDJ-UHFFFAOYSA-N 1 1 440.035 5.454 20 0 IKADMO Fc1ccc2c(c1)cc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903331 721583605 /nfs/dbraw/zinc/58/36/05/721583605.db2.gz LWQJQUGRCLMCPJ-QFIPXVFZSA-N 1 1 446.904 5.160 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCC[C@]3(COCc3cncc(C)c3)C2)nc1 ZINC001164804935 721601722 /nfs/dbraw/zinc/60/17/22/721601722.db2.gz YTIYXYJKXLCTDQ-STROYTFGSA-N 1 1 448.655 5.545 20 0 IKADMO FC1(F)CCN(c2ccc3cccc(Cl)c3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908419 721699079 /nfs/dbraw/zinc/69/90/79/721699079.db2.gz ZAOMFKOCEDXRAI-QFIPXVFZSA-N 1 1 428.914 5.021 20 0 IKADMO FC1(F)CCN(c2nccc3c(Cl)cccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904194 721701172 /nfs/dbraw/zinc/70/11/72/721701172.db2.gz DRMWODUTKFCEBO-JOCHJYFZSA-N 1 1 428.914 5.021 20 0 IKADMO FC1(F)CCN(c2ccc3ccc(Cl)cc3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906570 721713834 /nfs/dbraw/zinc/71/38/34/721713834.db2.gz MWFGVUDKKLMGNX-QFIPXVFZSA-N 1 1 428.914 5.021 20 0 IKADMO Cc1ccc2cc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908542 721716206 /nfs/dbraw/zinc/71/62/06/721716206.db2.gz XSLZOZSCRREGKI-QHCPKHFHSA-N 1 1 442.941 5.329 20 0 IKADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904364 721716923 /nfs/dbraw/zinc/71/69/23/721716923.db2.gz CIKGIAFGBPJEJO-HSZRJFAPSA-N 1 1 442.941 5.329 20 0 IKADMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2c(Cl)cccc12 ZINC001164907038 721717386 /nfs/dbraw/zinc/71/73/86/721717386.db2.gz PRALTALFTFEBTN-HSZRJFAPSA-N 1 1 442.941 5.329 20 0 IKADMO Cc1cccc2cc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164913958 721734485 /nfs/dbraw/zinc/73/44/85/721734485.db2.gz ZQTFQAVZTXFUQE-HSZRJFAPSA-N 1 1 442.941 5.329 20 0 IKADMO Fc1ccc(Cl)c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc12 ZINC001164911761 721734988 /nfs/dbraw/zinc/73/49/88/721734988.db2.gz KFLBGKZKJSRAEJ-QFIPXVFZSA-N 1 1 446.904 5.160 20 0 IKADMO Fc1cccc2c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc(Cl)nc12 ZINC001164912708 721736211 /nfs/dbraw/zinc/73/62/11/721736211.db2.gz POIIGHNHVQKELU-QFIPXVFZSA-N 1 1 446.904 5.160 20 0 IKADMO COc1ccc2c(cc(Cl)nc2N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164911409 721758069 /nfs/dbraw/zinc/75/80/69/721758069.db2.gz VKLLEYLMPLPGFL-UHFFFAOYSA-N 1 1 448.954 5.080 20 0 IKADMO COc1ccc2c(cc(Cl)nc2N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1 ZINC001164911409 721758072 /nfs/dbraw/zinc/75/80/72/721758072.db2.gz VKLLEYLMPLPGFL-UHFFFAOYSA-N 1 1 448.954 5.080 20 0 IKADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910662 721758439 /nfs/dbraw/zinc/75/84/39/721758439.db2.gz PKAKVBSCTBGNOO-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910662 721758440 /nfs/dbraw/zinc/75/84/40/721758440.db2.gz PKAKVBSCTBGNOO-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc2c(Cl)cccc12 ZINC001164909576 721759025 /nfs/dbraw/zinc/75/90/25/721759025.db2.gz IMRGYCBAEXWFMX-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc2c(Cl)cccc12 ZINC001164909576 721759028 /nfs/dbraw/zinc/75/90/28/721759028.db2.gz IMRGYCBAEXWFMX-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(Cl)ccc(F)c3n1)C2 ZINC001164912546 721764653 /nfs/dbraw/zinc/76/46/53/721764653.db2.gz ZIXFLZVZHISIHA-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(Cl)ccc(F)c3n1)C2 ZINC001164912546 721764656 /nfs/dbraw/zinc/76/46/56/721764656.db2.gz ZIXFLZVZHISIHA-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4ccc(Cl)cc43)C[C@@H]21 ZINC001165018686 721799822 /nfs/dbraw/zinc/79/98/22/721799822.db2.gz BXBWTRVTZHCWSO-PAXLWEDBSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4ccc(Cl)cc43)C[C@@H]21 ZINC001165018681 721799940 /nfs/dbraw/zinc/79/99/40/721799940.db2.gz BXBWTRVTZHCWSO-MFMILTCTSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@H]21 ZINC001165027802 721801609 /nfs/dbraw/zinc/80/16/09/721801609.db2.gz XRWMCSHRILJJHM-POZUXBRTSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@H]21 ZINC001165024626 721802288 /nfs/dbraw/zinc/80/22/88/721802288.db2.gz MNPOZZUSLXGAKI-LSBZLQRGSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4nc(Cl)cnc4cc3Cl)C[C@H]21 ZINC001165022776 721809598 /nfs/dbraw/zinc/80/95/98/721809598.db2.gz HDXJEIDEUYPNGR-LUQKVYGDSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)cccc43)C[C@H]21 ZINC001165025530 721809627 /nfs/dbraw/zinc/80/96/27/721809627.db2.gz NICJJUDWTHGYIK-QKYXUNIQSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc4nc(Cl)cnc4cc3Cl)C[C@@H]21 ZINC001165022770 721809712 /nfs/dbraw/zinc/80/97/12/721809712.db2.gz HDXJEIDEUYPNGR-HZUJVAHNSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4nc(Cl)cnc4cc3Cl)C[C@H]21 ZINC001165022779 721809781 /nfs/dbraw/zinc/80/97/81/721809781.db2.gz HDXJEIDEUYPNGR-QLVMHMETSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@H]21 ZINC001165023174 721832162 /nfs/dbraw/zinc/83/21/62/721832162.db2.gz IGINWOLMJHOEFI-MTNREXPMSA-N 1 1 446.973 5.289 20 0 IKADMO COc1cc2cnc(Cl)cc2cc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027048 721832407 /nfs/dbraw/zinc/83/24/07/721832407.db2.gz RGXKUSFVYKLDJY-HSQYWUDLSA-N 1 1 436.987 5.029 20 0 IKADMO COc1cc2cnc(Cl)cc2cc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027049 721832575 /nfs/dbraw/zinc/83/25/75/721832575.db2.gz RGXKUSFVYKLDJY-MTNREXPMSA-N 1 1 436.987 5.029 20 0 IKADMO c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164937219 721913473 /nfs/dbraw/zinc/91/34/73/721913473.db2.gz JTDPTUKYRHZUQE-ZRZAMGCNSA-N 1 1 447.604 5.099 20 0 IKADMO c1cncc([C@@H]2CCCCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001165045974 721963508 /nfs/dbraw/zinc/96/35/08/721963508.db2.gz FPKYSHQEIWLDFQ-FQEVSTJZSA-N 1 1 433.625 5.293 20 0 IKADMO c1cncc([C@H]2CCCCN2c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)c1 ZINC001165045975 721963633 /nfs/dbraw/zinc/96/36/33/721963633.db2.gz FPKYSHQEIWLDFQ-HXUWFJFHSA-N 1 1 433.625 5.293 20 0 IKADMO c1cc2n(c1)CCN(c1nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c31)C2 ZINC001165051200 721991656 /nfs/dbraw/zinc/99/16/56/721991656.db2.gz CZJPMAXISCAPHD-UHFFFAOYSA-N 1 1 429.593 5.166 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@@H]3C2)nc1 ZINC001164951020 722005589 /nfs/dbraw/zinc/00/55/89/722005589.db2.gz FZZRSDDPHXYQRL-RBZQAINGSA-N 1 1 441.623 5.195 20 0 IKADMO c1ccc(-c2nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc3ccccc32)cc1 ZINC001164953562 722017090 /nfs/dbraw/zinc/01/70/90/722017090.db2.gz UUDCYUQGHQNYOF-UHFFFAOYSA-N 1 1 435.575 5.184 20 0 IKADMO Cc1ccc(-c2nc3ccccc3c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164956205 722019628 /nfs/dbraw/zinc/01/96/28/722019628.db2.gz YANOIQSVLTXJRB-UHFFFAOYSA-N 1 1 449.602 5.493 20 0 IKADMO Clc1ccc2ccc(Cl)c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2n1 ZINC001164959086 722024191 /nfs/dbraw/zinc/02/41/91/722024191.db2.gz HWIZZZGDLXZEIQ-UHFFFAOYSA-N 1 1 427.379 5.429 20 0 IKADMO Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc1 ZINC001164959081 722024571 /nfs/dbraw/zinc/02/45/71/722024571.db2.gz HWFAQCSWEPZTLU-UHFFFAOYSA-N 1 1 449.986 5.118 20 0 IKADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164962743 722024689 /nfs/dbraw/zinc/02/46/89/722024689.db2.gz RTFPQRDHVOHMSL-UHFFFAOYSA-N 1 1 442.941 5.362 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](OCC4CCCC4)CO3)C2)nc1 ZINC001164978652 722165963 /nfs/dbraw/zinc/16/59/63/722165963.db2.gz REKDWZKHMYJCMW-WEWMWRJBSA-N 1 1 441.660 5.353 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc1 ZINC001164978644 722166304 /nfs/dbraw/zinc/16/63/04/722166304.db2.gz REKDWZKHMYJCMW-RGSZASNESA-N 1 1 441.660 5.353 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(-c4ccncc4)nc4sccc42)C3)c1 ZINC001164995018 722211392 /nfs/dbraw/zinc/21/13/92/722211392.db2.gz FKVSYSMTVKXTOZ-RUZDIDTESA-N 1 1 445.567 5.137 20 0 IKADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(C(F)F)nc4ccc(Cl)cc42)C3)c1 ZINC001164996937 722212068 /nfs/dbraw/zinc/21/20/68/722212068.db2.gz OSEDADCYLBITKZ-HSZRJFAPSA-N 1 1 446.904 5.605 20 0 IKADMO FC1(F)C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164409683 718870533 /nfs/dbraw/zinc/87/05/33/718870533.db2.gz SHUNTZQHHWISJN-MJGOQNOKSA-N 1 1 440.563 5.436 20 0 IKADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1c(Cl)nc(Cl)c(Cl)c1Cl)CC2 ZINC001164647280 719309614 /nfs/dbraw/zinc/30/96/14/719309614.db2.gz LTMFLRLAHPCUQO-UHFFFAOYSA-N 1 1 437.202 5.097 20 0 IKADMO Cc1ccc(-c2csc3ncnc(N4CCc5c(C[NH+](C)C)nn(C(C)C)c5C4)c23)cc1 ZINC001164647353 719309912 /nfs/dbraw/zinc/30/99/12/719309912.db2.gz ANJKQCLQCKSZPI-UHFFFAOYSA-N 1 1 446.624 5.068 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2ccc(Cl)nc2Cl)CC3)cs1 ZINC001164691504 719804081 /nfs/dbraw/zinc/80/40/81/719804081.db2.gz IMXOLDVASMGHBP-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2ccc(Cl)nc2Cl)CC3)cs1 ZINC001164691504 719804085 /nfs/dbraw/zinc/80/40/85/719804085.db2.gz IMXOLDVASMGHBP-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4c(Cl)cccc42)CC3)cs1 ZINC001164692604 719808029 /nfs/dbraw/zinc/80/80/29/719808029.db2.gz KURDOKOOXVOVPH-UHFFFAOYSA-N 1 1 448.423 5.337 20 0 IKADMO COc1ccc2c(c1)nc(Cl)cc2N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164694074 719808373 /nfs/dbraw/zinc/80/83/73/719808373.db2.gz UNSXOZQJCUANHY-UHFFFAOYSA-N 1 1 443.016 5.297 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)nc4c5ccccc5oc42)CC3)cs1 ZINC001164691271 719811405 /nfs/dbraw/zinc/81/14/05/719811405.db2.gz CMIFYPGXXXYBHN-UHFFFAOYSA-N 1 1 433.581 5.084 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)c4cccc(Cl)c4n2)CC3)cs1 ZINC001164691286 719811996 /nfs/dbraw/zinc/81/19/96/719811996.db2.gz DLMXZAOKSNEAJB-UHFFFAOYSA-N 1 1 427.017 5.597 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(Cl)nc2-c2ccccc2)CC3)cs1 ZINC001164691303 719814476 /nfs/dbraw/zinc/81/44/76/719814476.db2.gz FGEAELVXYDMAFK-UHFFFAOYSA-N 1 1 440.016 5.197 20 0 IKADMO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1 ZINC001164704540 719815701 /nfs/dbraw/zinc/81/57/01/719815701.db2.gz ZHMUHTZYFCBTSO-QHCPKHFHSA-N 1 1 439.673 5.028 20 0 IKADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1 ZINC001164704540 719815702 /nfs/dbraw/zinc/81/57/02/719815702.db2.gz ZHMUHTZYFCBTSO-QHCPKHFHSA-N 1 1 439.673 5.028 20 0 IKADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164704514 719816091 /nfs/dbraw/zinc/81/60/91/719816091.db2.gz YYYRCJHKGKYACO-OAHLLOKOSA-N 1 1 434.053 5.352 20 0 IKADMO Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc2c(Cl)cccc12 ZINC001164696200 719896519 /nfs/dbraw/zinc/89/65/19/719896519.db2.gz BRMNOGGOKNKWSI-UHFFFAOYSA-N 1 1 428.001 5.130 20 0 IKADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722557 720372832 /nfs/dbraw/zinc/37/28/32/720372832.db2.gz DMMKURLXBWEYNB-PMACEKPBSA-N 1 1 449.332 5.335 20 0 IKADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722557 720372836 /nfs/dbraw/zinc/37/28/36/720372836.db2.gz DMMKURLXBWEYNB-PMACEKPBSA-N 1 1 449.332 5.335 20 0 IKADMO c1ccc(-c2ncc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2-c2ccccc2)cc1 ZINC001164725135 720376871 /nfs/dbraw/zinc/37/68/71/720376871.db2.gz MLSFMSBJMBJZTH-JWQCQUIFSA-N 1 1 433.559 5.059 20 0 IKADMO c1ccc(COc2ccc3nc(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)ccc3c2)cc1 ZINC001164725880 720398944 /nfs/dbraw/zinc/39/89/44/720398944.db2.gz OAXBBNPNFBDTQL-SVBPBHIXSA-N 1 1 436.559 5.062 20 0 IKADMO Clc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164735040 720434538 /nfs/dbraw/zinc/43/45/38/720434538.db2.gz VELFFORQVHJBDH-SFTDATJTSA-N 1 1 447.995 5.260 20 0 IKADMO Clc1ccc(-c2cc3ncnc(N4CC[C@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c3s2)cc1 ZINC001164735060 720438861 /nfs/dbraw/zinc/43/88/61/720438861.db2.gz VKXMTJYSJFQXLK-SFTDATJTSA-N 1 1 447.995 5.260 20 0 IKADMO c1ccc(-c2ccc(-c3ccc(N4CC[C@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)nn3)cc2)cc1 ZINC001164735916 720457240 /nfs/dbraw/zinc/45/72/40/720457240.db2.gz ZLOQGHZIUOMELY-RRPNLBNLSA-N 1 1 433.559 5.059 20 0 IKADMO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164734764 720462631 /nfs/dbraw/zinc/46/26/31/720462631.db2.gz UFDSKGKPYUPIET-SXOMAYOGSA-N 1 1 447.586 5.367 20 0 IKADMO c1ccc(Oc2ccc(-c3ccc(N4CC[C@@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)nn3)cc2)cc1 ZINC001164724167 720466071 /nfs/dbraw/zinc/46/60/71/720466071.db2.gz DZAJKSIGKCJLJJ-SXOMAYOGSA-N 1 1 449.558 5.184 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164843173 720668392 /nfs/dbraw/zinc/66/83/92/720668392.db2.gz UMEZKYIBPOGUHU-HSZRJFAPSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164845300 720691343 /nfs/dbraw/zinc/69/13/43/720691343.db2.gz XYDJYIWFZKORTE-QFIPXVFZSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164844440 720691791 /nfs/dbraw/zinc/69/17/91/720691791.db2.gz SBFZGQDVIJILJU-OAQYLSRUSA-N 1 1 439.962 5.287 20 0 IKADMO CC(C)c1ccc2ncnc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164840317 720712782 /nfs/dbraw/zinc/71/27/82/720712782.db2.gz PCPHVMFDXUDBLE-QHCPKHFHSA-N 1 1 430.596 5.013 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164840913 720713349 /nfs/dbraw/zinc/71/33/49/720713349.db2.gz SKMCTVDGQPEDJJ-QHCPKHFHSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3cccc(Cl)c3)nn1)CC2 ZINC001164840912 720713859 /nfs/dbraw/zinc/71/38/59/720713859.db2.gz SKMCTVDGQPEDJJ-HSZRJFAPSA-N 1 1 448.998 5.057 20 0 IKADMO Cc1ccc(-c2csc3ncnc(N4CCn5c(C[N@H+](C)C(C)C)cnc5[C@H]4C)c23)cc1 ZINC001164857022 720952002 /nfs/dbraw/zinc/95/20/02/720952002.db2.gz FJMHKETYQRYYNE-GOSISDBHSA-N 1 1 446.624 5.285 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc3ccccc3nc1Cl)[C@@H]2C ZINC001164858054 720978756 /nfs/dbraw/zinc/97/87/56/720978756.db2.gz GPICKHPCJUZNBJ-OAHLLOKOSA-N 1 1 433.934 5.051 20 0 IKADMO Cc1ccc(-c2nnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c3ccccc32)cc1 ZINC001164859851 720998633 /nfs/dbraw/zinc/99/86/33/720998633.db2.gz MSLVREGUBCPINE-HXUWFJFHSA-N 1 1 440.595 5.223 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(-c3ccccc3)c3ccccc3n1)[C@@H]2C ZINC001164861278 721000251 /nfs/dbraw/zinc/00/02/51/721000251.db2.gz PVTPBRBNKWJSSX-HXUWFJFHSA-N 1 1 425.580 5.520 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3c(Cl)nccc3c1)[C@@H]2C ZINC001164857963 721011541 /nfs/dbraw/zinc/01/15/41/721011541.db2.gz DQQYTAGPHRKUCA-OAHLLOKOSA-N 1 1 433.934 5.051 20 0 IKADMO COc1cccc2c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cc(Cl)nc12 ZINC001164793960 721490019 /nfs/dbraw/zinc/49/00/19/721490019.db2.gz ZECMGXGMWOOBMO-UHFFFAOYSA-N 1 1 436.987 5.173 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164791157 721491448 /nfs/dbraw/zinc/49/14/48/721491448.db2.gz BQZQLAAWLDJHKC-UHFFFAOYSA-N 1 1 433.987 5.073 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3cc(C(C)(C)C)sc31)CC2 ZINC001164792293 721492539 /nfs/dbraw/zinc/49/25/39/721492539.db2.gz NELZYNQWSLYXGR-UHFFFAOYSA-N 1 1 435.641 5.265 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3cccc(Cl)c31)CC2 ZINC001164792850 721495175 /nfs/dbraw/zinc/49/51/75/721495175.db2.gz UBDLMMYLLBIKNC-UHFFFAOYSA-N 1 1 442.394 5.213 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)CC2 ZINC001164792266 721495218 /nfs/dbraw/zinc/49/52/18/721495218.db2.gz MADMIUXFFNQKDV-UHFFFAOYSA-N 1 1 441.353 5.209 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164791358 721495885 /nfs/dbraw/zinc/49/58/85/721495885.db2.gz BQAMTHIEPBMHHY-UHFFFAOYSA-N 1 1 433.987 5.073 20 0 IKADMO Cc1cc2nc(Cl)c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nc2cc1C ZINC001164795025 721497283 /nfs/dbraw/zinc/49/72/83/721497283.db2.gz ARVZYGIQNPODSO-UHFFFAOYSA-N 1 1 436.003 5.176 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3cc(Cl)c(Cl)cc31)CC2 ZINC001164795975 721498055 /nfs/dbraw/zinc/49/80/55/721498055.db2.gz OACCYRNCWIZWQZ-UHFFFAOYSA-N 1 1 442.394 5.213 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc3cc[nH]c3c(Cl)n1)CC2 ZINC001164795740 721498571 /nfs/dbraw/zinc/49/85/71/721498571.db2.gz LIEAELDWBGMJCA-UHFFFAOYSA-N 1 1 445.945 5.037 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164795472 721500586 /nfs/dbraw/zinc/50/05/86/721500586.db2.gz IDBDQOGBNKICGP-UHFFFAOYSA-N 1 1 433.987 5.073 20 0 IKADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164797371 721503415 /nfs/dbraw/zinc/50/34/15/721503415.db2.gz YZTKQZZGHAVOTN-KRWDZBQOSA-N 1 1 428.024 5.228 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)Sc1ccc(Cl)nc1)CC2 ZINC001164795555 721503578 /nfs/dbraw/zinc/50/35/78/721503578.db2.gz LGQATADPTZRPGW-UHFFFAOYSA-N 1 1 438.975 5.149 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccnc(CSc3ccccc3)n1)CC2 ZINC001164795514 721503891 /nfs/dbraw/zinc/50/38/91/721503891.db2.gz KMUFWMXBLLXMHJ-UHFFFAOYSA-N 1 1 445.636 5.045 20 0 IKADMO Fc1ccc2cc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908431 721695197 /nfs/dbraw/zinc/69/51/97/721695197.db2.gz ZEVIHJJGDCTWCG-QFIPXVFZSA-N 1 1 446.904 5.160 20 0 IKADMO Fc1ccc2cc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908430 721695800 /nfs/dbraw/zinc/69/58/00/721695800.db2.gz ZEVIHJJGDCTWCG-JOCHJYFZSA-N 1 1 446.904 5.160 20 0 IKADMO FC1(F)CCN(c2cc(Cl)nc3ccsc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906679 721698304 /nfs/dbraw/zinc/69/83/04/721698304.db2.gz OKIZLHDFELMIDW-HXUWFJFHSA-N 1 1 434.943 5.082 20 0 IKADMO FC1(F)CCN(c2ccc3cccc(Cl)c3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164908417 721698930 /nfs/dbraw/zinc/69/89/30/721698930.db2.gz ZAOMFKOCEDXRAI-JOCHJYFZSA-N 1 1 428.914 5.021 20 0 IKADMO FC1(F)CCN(c2c(Cl)ncc(Cl)c2Cl)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904914 721706775 /nfs/dbraw/zinc/70/67/75/721706775.db2.gz FNBNGQANGYJWGC-GOSISDBHSA-N 1 1 447.744 5.175 20 0 IKADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904365 721717823 /nfs/dbraw/zinc/71/78/23/721717823.db2.gz CIKGIAFGBPJEJO-QHCPKHFHSA-N 1 1 442.941 5.329 20 0 IKADMO Fc1ccc(Cl)c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc12 ZINC001164911758 721734320 /nfs/dbraw/zinc/73/43/20/721734320.db2.gz KFLBGKZKJSRAEJ-JOCHJYFZSA-N 1 1 446.904 5.160 20 0 IKADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912657 721734495 /nfs/dbraw/zinc/73/44/95/721734495.db2.gz PDFLBBJUZKVBNY-OPAMFIHVSA-N 1 1 449.977 5.085 20 0 IKADMO Cc1cccc2cc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164913960 721734537 /nfs/dbraw/zinc/73/45/37/721734537.db2.gz ZQTFQAVZTXFUQE-QHCPKHFHSA-N 1 1 442.941 5.329 20 0 IKADMO Fc1cccc2c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)cc(Cl)nc12 ZINC001164912705 721736382 /nfs/dbraw/zinc/73/63/82/721736382.db2.gz POIIGHNHVQKELU-JOCHJYFZSA-N 1 1 446.904 5.160 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)cc(Cl)nc1Cl)C2 ZINC001164907898 721749973 /nfs/dbraw/zinc/74/99/73/721749973.db2.gz CVIFKFGLZMGDMN-UHFFFAOYSA-N 1 1 437.758 5.225 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)cc(Cl)nc1Cl)C2 ZINC001164907898 721749975 /nfs/dbraw/zinc/74/99/75/721749975.db2.gz CVIFKFGLZMGDMN-UHFFFAOYSA-N 1 1 437.758 5.225 20 0 IKADMO Cc1ccc2nc(Cl)cc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164908296 721751564 /nfs/dbraw/zinc/75/15/64/721751564.db2.gz GNGAXWLNZAUDDQ-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO Cc1ccc2nc(Cl)cc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c2c1 ZINC001164908296 721751570 /nfs/dbraw/zinc/75/15/70/721751570.db2.gz GNGAXWLNZAUDDQ-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO Cc1ccc(F)c2cc(C)c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc12 ZINC001164911782 721757414 /nfs/dbraw/zinc/75/74/14/721757414.db2.gz ZHAIVNRKNFQNDU-UHFFFAOYSA-N 1 1 430.527 5.173 20 0 IKADMO Cc1ccc(F)c2cc(C)c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc12 ZINC001164911782 721757420 /nfs/dbraw/zinc/75/74/20/721757420.db2.gz ZHAIVNRKNFQNDU-UHFFFAOYSA-N 1 1 430.527 5.173 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc3cccc(F)c31)C2 ZINC001164910606 721766037 /nfs/dbraw/zinc/76/60/37/721766037.db2.gz JEHQMAGSVUWSKZ-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc3cccc(F)c31)C2 ZINC001164910606 721766040 /nfs/dbraw/zinc/76/60/40/721766040.db2.gz JEHQMAGSVUWSKZ-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@H]21 ZINC001165027799 721801648 /nfs/dbraw/zinc/80/16/48/721801648.db2.gz XRWMCSHRILJJHM-LSBZLQRGSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@@H]21 ZINC001165028780 721802027 /nfs/dbraw/zinc/80/20/27/721802027.db2.gz ZRVGAZCVKMRPCY-FHLIZLRMSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@H]21 ZINC001165028788 721802121 /nfs/dbraw/zinc/80/21/21/721802121.db2.gz ZRVGAZCVKMRPCY-ZTFGCOKTSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@H]21 ZINC001165026919 721802833 /nfs/dbraw/zinc/80/28/33/721802833.db2.gz SKNZGWCUMXRPNM-ZSZQSSIHSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)cc(Cl)nc3Cl)C[C@@H]21 ZINC001165025041 721806037 /nfs/dbraw/zinc/80/60/37/721806037.db2.gz NJCBCWBNGBMGIP-JLJPHGGASA-N 1 1 425.791 5.174 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)cc(Cl)nc3Cl)C[C@H]21 ZINC001165025043 721806281 /nfs/dbraw/zinc/80/62/81/721806281.db2.gz NJCBCWBNGBMGIP-YSVLISHTSA-N 1 1 425.791 5.174 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4c(Cl)cccc43)C[C@@H]21 ZINC001165025532 721809695 /nfs/dbraw/zinc/80/96/95/721809695.db2.gz NICJJUDWTHGYIK-ZAAXVRCTSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4c(Cl)ccnc43)C[C@H]21 ZINC001165026111 721810783 /nfs/dbraw/zinc/81/07/83/721810783.db2.gz PEHYOMUUEPWYTQ-XFQXTVEOSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4cc(Cl)ccc43)C[C@@H]21 ZINC001165022638 721811604 /nfs/dbraw/zinc/81/16/04/721811604.db2.gz GJAOQRYMRFIWGE-MFMILTCTSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@H]21 ZINC001165025972 721811635 /nfs/dbraw/zinc/81/16/35/721811635.db2.gz OOWAVGRPHSMBLA-QGPMSJSTSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4cccc(Cl)c43)C[C@H]21 ZINC001165022793 721811925 /nfs/dbraw/zinc/81/19/25/721811925.db2.gz HDYRABVXOMTEOU-XAUMDUMWSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4cccc(Cl)c43)C[C@@H]21 ZINC001165022782 721811990 /nfs/dbraw/zinc/81/19/90/721811990.db2.gz HDYRABVXOMTEOU-OXFYSEKESA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(SCc4ccccc4)ccn3)C[C@H]21 ZINC001165021371 721826317 /nfs/dbraw/zinc/82/63/17/721826317.db2.gz FEQRDPDPTCEZJZ-HDYLNDSGSA-N 1 1 444.648 5.506 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@H]21 ZINC001165023176 721832320 /nfs/dbraw/zinc/83/23/20/721832320.db2.gz IGINWOLMJHOEFI-ZPMCFJSWSA-N 1 1 446.973 5.289 20 0 IKADMO c1cncc([C@@H]2CCCCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001165046400 721963729 /nfs/dbraw/zinc/96/37/29/721963729.db2.gz LDWWNOANFOHZDI-FQEVSTJZSA-N 1 1 433.625 5.293 20 0 IKADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCC[C@@H]2c2cccnc2)n1 ZINC001165045851 721963797 /nfs/dbraw/zinc/96/37/97/721963797.db2.gz CEOVHEDQJQQTTH-OAQYLSRUSA-N 1 1 429.593 5.547 20 0 IKADMO FC(F)(c1cccc2c(Cl)nccc21)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955254 722019995 /nfs/dbraw/zinc/01/99/95/722019995.db2.gz CBPORNBUAYEJJD-UHFFFAOYSA-N 1 1 442.941 5.321 20 0 IKADMO Cc1nc2sc3c(c2c(N2CCC4(CC[N@@H+](Cc5cccnc5)C4)CC2)n1)CCCCC3 ZINC001164956226 722022102 /nfs/dbraw/zinc/02/21/02/722022102.db2.gz ZFNXDGQVJQLEBA-UHFFFAOYSA-N 1 1 447.652 5.156 20 0 IKADMO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164962111 722023466 /nfs/dbraw/zinc/02/34/66/722023466.db2.gz PTFUKKCDPNNDCG-UHFFFAOYSA-N 1 1 442.941 5.321 20 0 IKADMO Fc1ccc(F)c2c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)cc(Cl)nc12 ZINC001164959786 722024866 /nfs/dbraw/zinc/02/48/66/722024866.db2.gz IPDQDDPNELCMMC-UHFFFAOYSA-N 1 1 428.914 5.054 20 0 IKADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)nc1 ZINC001164962813 722044494 /nfs/dbraw/zinc/04/44/94/722044494.db2.gz PRTRNDQPWLBVKE-SQJMNOBHSA-N 1 1 438.641 5.022 20 0 IKADMO Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC4(CC(OCC5CC5)C4)CC3)c2c1C ZINC001164974537 722172529 /nfs/dbraw/zinc/17/25/29/722172529.db2.gz FXTSYVOOVBPSBW-UHFFFAOYSA-N 1 1 440.657 5.080 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(-c4ccc(Cl)nn4)ccc2F)C3)c1 ZINC001164997279 722209737 /nfs/dbraw/zinc/20/97/37/722209737.db2.gz YHGREDGOOALYSL-DEOSSOPVSA-N 1 1 440.925 5.320 20 0 IKADMO FC1(F)C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164409681 718870377 /nfs/dbraw/zinc/87/03/77/718870377.db2.gz SHUNTZQHHWISJN-HKUYNNGSSA-N 1 1 440.563 5.436 20 0 IKADMO FC1(F)C[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164409684 718870554 /nfs/dbraw/zinc/87/05/54/718870554.db2.gz SHUNTZQHHWISJN-PKOBYXMFSA-N 1 1 440.563 5.436 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)nc1 ZINC001164645116 719290812 /nfs/dbraw/zinc/29/08/12/719290812.db2.gz CCXHUHFAJQKBLW-MALNDZBISA-N 1 1 438.641 5.319 20 0 IKADMO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]ccc3cccc(C)c31)CC2 ZINC001164659588 719354261 /nfs/dbraw/zinc/35/42/61/719354261.db2.gz RBXSEGZUVOZFHQ-UHFFFAOYSA-N 1 1 437.591 5.238 20 0 IKADMO COc1cccc2c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)cc(Cl)nc12 ZINC001164692675 719803502 /nfs/dbraw/zinc/80/35/02/719803502.db2.gz OOELDCIEICOSSD-UHFFFAOYSA-N 1 1 443.016 5.297 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC3)cs1 ZINC001164693479 719804089 /nfs/dbraw/zinc/80/40/89/719804089.db2.gz UBZPFQPOOHVJBA-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC3)cs1 ZINC001164693479 719804091 /nfs/dbraw/zinc/80/40/91/719804091.db2.gz UBZPFQPOOHVJBA-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4ccc(Cl)cc4)nn2)CC3)cs1 ZINC001164691029 719804622 /nfs/dbraw/zinc/80/46/22/719804622.db2.gz CUQJLDJGUVUOEA-UHFFFAOYSA-N 1 1 440.016 5.197 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(-c4ccnc(Cl)c4)ccn2)CC3)cs1 ZINC001164692225 719806027 /nfs/dbraw/zinc/80/60/27/719806027.db2.gz LSZCVVVGLCYRIM-UHFFFAOYSA-N 1 1 440.016 5.197 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(F)cc4ccc(Cl)nc42)CC3)cs1 ZINC001164693992 719808880 /nfs/dbraw/zinc/80/88/80/719808880.db2.gz TTZOSXIVRPLCPX-UHFFFAOYSA-N 1 1 430.980 5.427 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)nc4cc(C)ccc42)CC3)cs1 ZINC001164694011 719810505 /nfs/dbraw/zinc/81/05/05/719810505.db2.gz TWKICHWFRXVNOR-UHFFFAOYSA-N 1 1 427.017 5.597 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc4ccc(C)cc42)CC3)cs1 ZINC001164691280 719810977 /nfs/dbraw/zinc/81/09/77/719810977.db2.gz DBSHIDFVPAYPBS-UHFFFAOYSA-N 1 1 427.017 5.597 20 0 IKADMO COc1ccc2c(cc(Cl)nc2N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164693851 719811057 /nfs/dbraw/zinc/81/10/57/719811057.db2.gz YXZAGAZSFZSXBT-UHFFFAOYSA-N 1 1 443.016 5.297 20 0 IKADMO Cc1csc2c1nc(Cl)cc2N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691308 719812087 /nfs/dbraw/zinc/81/20/87/719812087.db2.gz FKYSBCNOQHFSQJ-UHFFFAOYSA-N 1 1 433.046 5.658 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4cc(C)ccc4C)nn2)CC3)cs1 ZINC001164691562 719814404 /nfs/dbraw/zinc/81/44/04/719814404.db2.gz HJJIBFXSEASRRC-UHFFFAOYSA-N 1 1 433.625 5.160 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc4cc(F)c(Cl)cc42)CC3)cs1 ZINC001164693563 719816036 /nfs/dbraw/zinc/81/60/36/719816036.db2.gz WIVGATLBWVJDJA-UHFFFAOYSA-N 1 1 430.980 5.427 20 0 IKADMO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1 ZINC001164704538 719816062 /nfs/dbraw/zinc/81/60/62/719816062.db2.gz ZHMUHTZYFCBTSO-HSZRJFAPSA-N 1 1 439.673 5.028 20 0 IKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1 ZINC001164704538 719816063 /nfs/dbraw/zinc/81/60/63/719816063.db2.gz ZHMUHTZYFCBTSO-HSZRJFAPSA-N 1 1 439.673 5.028 20 0 IKADMO COc1cc2cnc(Cl)cc2cc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164698599 719817318 /nfs/dbraw/zinc/81/73/18/719817318.db2.gz FHGYNVJIPYKSFD-UHFFFAOYSA-N 1 1 443.016 5.297 20 0 IKADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3ccccc3)c3ccccc3n1)C2 ZINC001164817787 720161635 /nfs/dbraw/zinc/16/16/35/720161635.db2.gz QFPOXCGRHWVXNJ-QDPGVEIFSA-N 1 1 427.592 5.087 20 0 IKADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccccc3)c3ccccc3n1)C2 ZINC001164817785 720163536 /nfs/dbraw/zinc/16/35/36/720163536.db2.gz QFPOXCGRHWVXNJ-LXFBAYGMSA-N 1 1 427.592 5.087 20 0 IKADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722560 720372479 /nfs/dbraw/zinc/37/24/79/720372479.db2.gz DMMKURLXBWEYNB-UXHICEINSA-N 1 1 449.332 5.335 20 0 IKADMO FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164722560 720372489 /nfs/dbraw/zinc/37/24/89/720372489.db2.gz DMMKURLXBWEYNB-UXHICEINSA-N 1 1 449.332 5.335 20 0 IKADMO Clc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164731055 720380346 /nfs/dbraw/zinc/38/03/46/720380346.db2.gz YOMUZHYXMYOYIE-BJKOFHAPSA-N 1 1 441.966 5.198 20 0 IKADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)nc1 ZINC001164829801 720395848 /nfs/dbraw/zinc/39/58/48/720395848.db2.gz OHPOTBUYJMZSNC-UKILVPOCSA-N 1 1 440.582 5.371 20 0 IKADMO c1ccc(COc2ccc3nc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)ccc3c2)cc1 ZINC001164725879 720399249 /nfs/dbraw/zinc/39/92/49/720399249.db2.gz OAXBBNPNFBDTQL-RRPNLBNLSA-N 1 1 436.559 5.062 20 0 IKADMO Clc1ccc2nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc(-c3ccccc3)c2c1 ZINC001164731573 720434578 /nfs/dbraw/zinc/43/45/78/720434578.db2.gz LWZDACWDCVZDOS-RPWUZVMVSA-N 1 1 441.966 5.198 20 0 IKADMO Clc1ccc(-c2cc3ncnc(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)c3s2)cc1 ZINC001164735059 720437851 /nfs/dbraw/zinc/43/78/51/720437851.db2.gz VKXMTJYSJFQXLK-RTWAWAEBSA-N 1 1 447.995 5.260 20 0 IKADMO c1ccc(-c2ccc(-c3ccc(N4CC[C@@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)nn3)cc2)cc1 ZINC001164735915 720457828 /nfs/dbraw/zinc/45/78/28/720457828.db2.gz ZLOQGHZIUOMELY-KAYWLYCHSA-N 1 1 433.559 5.059 20 0 IKADMO c1ccc(Oc2ccc(-c3ccc(N4CC[C@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)nn3)cc2)cc1 ZINC001164724162 720466703 /nfs/dbraw/zinc/46/67/03/720466703.db2.gz DZAJKSIGKCJLJJ-RRPNLBNLSA-N 1 1 449.558 5.184 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164843327 720681931 /nfs/dbraw/zinc/68/19/31/720681931.db2.gz NVWLJDZREUNZGU-SFHVURJKSA-N 1 1 428.001 5.210 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3scc(-c4cccs4)c31)[C@H]2C ZINC001164856992 720941582 /nfs/dbraw/zinc/94/15/82/720941582.db2.gz DRHBDKFWKZNMPI-HNNXBMFYSA-N 1 1 438.626 5.038 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cc3ccccc3nc1Cl)[C@H]2C ZINC001164858052 720980215 /nfs/dbraw/zinc/98/02/15/720980215.db2.gz GPICKHPCJUZNBJ-HNNXBMFYSA-N 1 1 433.934 5.051 20 0 IKADMO Cc1ccc(-c2nnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c3ccccc32)cc1 ZINC001164859820 721000110 /nfs/dbraw/zinc/00/01/10/721000110.db2.gz MSLVREGUBCPINE-FQEVSTJZSA-N 1 1 440.595 5.223 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)[C@H]2C ZINC001164859736 721002793 /nfs/dbraw/zinc/00/27/93/721002793.db2.gz LWQQPETVDYYVSO-SFHVURJKSA-N 1 1 444.558 5.054 20 0 IKADMO Cc1ccc(-c2nc3ccccc3c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)n2)s1 ZINC001164861028 721009266 /nfs/dbraw/zinc/00/92/66/721009266.db2.gz MXDSDFXOWXSNMD-GOSISDBHSA-N 1 1 446.624 5.285 20 0 IKADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)nc1 ZINC001164776589 721316092 /nfs/dbraw/zinc/31/60/92/721316092.db2.gz FLUDCJXQCYSKNH-VWLOTQADSA-N 1 1 445.586 5.220 20 0 IKADMO c1csc(C[NH+]2C[C@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@@H]3C2)n1 ZINC001164788813 721433253 /nfs/dbraw/zinc/43/32/53/721433253.db2.gz SWCNNWJVFSLGFC-GOTSBHOMSA-N 1 1 445.636 5.216 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164793412 721490513 /nfs/dbraw/zinc/49/05/13/721490513.db2.gz RWOJZGLFRVGTCI-UHFFFAOYSA-N 1 1 441.353 5.209 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc3nc(Cl)cnc3cc1Cl)CC2 ZINC001164792449 721494262 /nfs/dbraw/zinc/49/42/62/721494262.db2.gz OTUNHJNIFPNZBA-UHFFFAOYSA-N 1 1 442.394 5.213 20 0 IKADMO COc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c2cc(Cl)ccc12 ZINC001164793016 721495150 /nfs/dbraw/zinc/49/51/50/721495150.db2.gz ZFHKZPYRCZXBIR-UHFFFAOYSA-N 1 1 436.987 5.173 20 0 IKADMO COc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792318 721495182 /nfs/dbraw/zinc/49/51/82/721495182.db2.gz OIYKJMFSVKGNMG-UHFFFAOYSA-N 1 1 436.987 5.173 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164791515 721495478 /nfs/dbraw/zinc/49/54/78/721495478.db2.gz CXKXSFDPZFVJCD-UHFFFAOYSA-N 1 1 442.394 5.213 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncccc1OCc1ccc(F)cc1)CC2 ZINC001164796749 721501277 /nfs/dbraw/zinc/50/12/77/721501277.db2.gz WUYQLOKTGXXNGS-UHFFFAOYSA-N 1 1 446.570 5.076 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(SCc3ccccc3)ccn1)CC2 ZINC001164795875 721501599 /nfs/dbraw/zinc/50/15/99/721501599.db2.gz MDUNNOWWLAHNAM-UHFFFAOYSA-N 1 1 444.648 5.650 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(Cl)ccc(Cl)c3n1)CC2 ZINC001164796320 721503293 /nfs/dbraw/zinc/50/32/93/721503293.db2.gz RQIHLAMTQYQNFO-UHFFFAOYSA-N 1 1 441.406 5.818 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(Cl)ccc3c(Cl)ncnc31)CC2 ZINC001164795227 721503902 /nfs/dbraw/zinc/50/39/02/721503902.db2.gz HPKICAYCZMYBJT-UHFFFAOYSA-N 1 1 442.394 5.213 20 0 IKADMO FC1(F)CCN(c2cc(Cl)nc3ccccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905177 721583737 /nfs/dbraw/zinc/58/37/37/721583737.db2.gz UFCJHGMCCNQPSB-QFIPXVFZSA-N 1 1 428.914 5.021 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)nc1 ZINC001164804928 721601674 /nfs/dbraw/zinc/60/16/74/721601674.db2.gz YTIYXYJKXLCTDQ-GTNKKZTPSA-N 1 1 448.655 5.545 20 0 IKADMO FC1(F)CCN(c2cc(Cl)nc3ccsc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906676 721698232 /nfs/dbraw/zinc/69/82/32/721698232.db2.gz OKIZLHDFELMIDW-FQEVSTJZSA-N 1 1 434.943 5.082 20 0 IKADMO FC1(F)CCN(c2ccc3ccc(Cl)cc3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906567 721714035 /nfs/dbraw/zinc/71/40/35/721714035.db2.gz MWFGVUDKKLMGNX-JOCHJYFZSA-N 1 1 428.914 5.021 20 0 IKADMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2c(Cl)cccc12 ZINC001164907041 721716893 /nfs/dbraw/zinc/71/68/93/721716893.db2.gz PRALTALFTFEBTN-QHCPKHFHSA-N 1 1 442.941 5.329 20 0 IKADMO Cc1c(Cl)ccc2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc12 ZINC001164908530 721719218 /nfs/dbraw/zinc/71/92/18/721719218.db2.gz XILUXCIZULRIIC-QHCPKHFHSA-N 1 1 442.941 5.329 20 0 IKADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912659 721735109 /nfs/dbraw/zinc/73/51/09/721735109.db2.gz PDFLBBJUZKVBNY-ZHRRBRCNSA-N 1 1 449.977 5.085 20 0 IKADMO Fc1cccc2cc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164910562 721738116 /nfs/dbraw/zinc/73/81/16/721738116.db2.gz GDPKDYPNKCQZLA-JOCHJYFZSA-N 1 1 446.904 5.160 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ccc1-c1ccccc1)C2 ZINC001164910946 721753005 /nfs/dbraw/zinc/75/30/05/721753005.db2.gz UVLXGBCMGYPLFM-UHFFFAOYSA-N 1 1 444.966 5.585 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)ccc1-c1ccccc1)C2 ZINC001164910946 721753013 /nfs/dbraw/zinc/75/30/13/721753013.db2.gz UVLXGBCMGYPLFM-UHFFFAOYSA-N 1 1 444.966 5.585 20 0 IKADMO Cc1cc2nc(Cl)c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc2cc1C ZINC001164909002 721757454 /nfs/dbraw/zinc/75/74/54/721757454.db2.gz BTJYVAZURHOHEW-UHFFFAOYSA-N 1 1 447.970 5.083 20 0 IKADMO Cc1cc2nc(Cl)c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc2cc1C ZINC001164909002 721757459 /nfs/dbraw/zinc/75/74/59/721757459.db2.gz BTJYVAZURHOHEW-UHFFFAOYSA-N 1 1 447.970 5.083 20 0 IKADMO CC(C)c1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(C(C)(C)C)n1 ZINC001164910774 721762528 /nfs/dbraw/zinc/76/25/28/721762528.db2.gz KYQKJYUBPRQSTG-UHFFFAOYSA-N 1 1 433.600 5.080 20 0 IKADMO CC(C)c1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(C(C)(C)C)n1 ZINC001164910774 721762530 /nfs/dbraw/zinc/76/25/30/721762530.db2.gz KYQKJYUBPRQSTG-UHFFFAOYSA-N 1 1 433.600 5.080 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3cc(F)c(Cl)cc31)C2 ZINC001164910667 721764297 /nfs/dbraw/zinc/76/42/97/721764297.db2.gz JXNUJDKCUNYSSU-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccc3cc(F)c(Cl)cc31)C2 ZINC001164910667 721764303 /nfs/dbraw/zinc/76/43/03/721764303.db2.gz JXNUJDKCUNYSSU-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@@H]21 ZINC001165024633 721802457 /nfs/dbraw/zinc/80/24/57/721802457.db2.gz MNPOZZUSLXGAKI-UCLAIMLFSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4c(Cl)ccnc43)C[C@@H]21 ZINC001165026113 721810669 /nfs/dbraw/zinc/81/06/69/721810669.db2.gz PEHYOMUUEPWYTQ-ZAAXVRCTSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4cc(Cl)ccc43)C[C@H]21 ZINC001165022643 721811447 /nfs/dbraw/zinc/81/14/47/721811447.db2.gz GJAOQRYMRFIWGE-QFIXIFRTSA-N 1 1 442.394 5.069 20 0 IKADMO COc1ccc2c(cc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019801 721818621 /nfs/dbraw/zinc/81/86/21/721818621.db2.gz BWGFFKYXPNPJHG-RTFZILSDSA-N 1 1 436.987 5.029 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4cc(Cl)c(Cl)cc43)C[C@H]21 ZINC001165026501 721819569 /nfs/dbraw/zinc/81/95/69/721819569.db2.gz QWQOLHXPEWBWFS-YBOAYWMSSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3)C[C@H]21 ZINC001165029708 721830688 /nfs/dbraw/zinc/83/06/88/721830688.db2.gz XNMJJKQHURJVMK-STZQEDGTSA-N 1 1 449.986 5.054 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)ccc4c(Cl)ncnc43)C[C@@H]21 ZINC001165022381 721831807 /nfs/dbraw/zinc/83/18/07/721831807.db2.gz HBEQXHOGBMGKNZ-ZAAXVRCTSA-N 1 1 442.394 5.069 20 0 IKADMO C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCCC[C@H]2c2cccnc2)n1 ZINC001165045850 721964045 /nfs/dbraw/zinc/96/40/45/721964045.db2.gz CEOVHEDQJQQTTH-NRFANRHFSA-N 1 1 429.593 5.547 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)nc1 ZINC001164951014 722005502 /nfs/dbraw/zinc/00/55/02/722005502.db2.gz FZZRSDDPHXYQRL-KMDXXIMOSA-N 1 1 441.623 5.195 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)nc1 ZINC001164951023 722005692 /nfs/dbraw/zinc/00/56/92/722005692.db2.gz FZZRSDDPHXYQRL-TZRRMPRUSA-N 1 1 441.623 5.195 20 0 IKADMO FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164951706 722016289 /nfs/dbraw/zinc/01/62/89/722016289.db2.gz CNBFNEYSNMXMBB-UHFFFAOYSA-N 1 1 442.941 5.321 20 0 IKADMO c1ccc(-c2nc3ccccc3c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)cc1 ZINC001164952971 722016620 /nfs/dbraw/zinc/01/66/20/722016620.db2.gz QCOXGCQWVDUECB-UHFFFAOYSA-N 1 1 435.575 5.184 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)nc1 ZINC001164962803 722044580 /nfs/dbraw/zinc/04/45/80/722044580.db2.gz PRTRNDQPWLBVKE-BWKNWUBXSA-N 1 1 438.641 5.022 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](OCC4CCCC4)CO3)C2)nc1 ZINC001164978656 722166256 /nfs/dbraw/zinc/16/62/56/722166256.db2.gz REKDWZKHMYJCMW-ZWEKWIFMSA-N 1 1 441.660 5.353 20 0 IKADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC(OCC4CC4)C3)CC2)n1 ZINC001164978742 722172501 /nfs/dbraw/zinc/17/25/01/722172501.db2.gz SFEMKTDRTPRVSK-UHFFFAOYSA-N 1 1 442.673 5.326 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CN(C(C)=O)c4ccc(C)cc43)CC2)nc1 ZINC001164988321 722189862 /nfs/dbraw/zinc/18/98/62/722189862.db2.gz GDGZWZPYJPHMOK-RUZDIDTESA-N 1 1 446.639 5.232 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2cc(F)ccc2-c2ccc(Cl)nn2)C3)c1 ZINC001164994035 722209773 /nfs/dbraw/zinc/20/97/73/722209773.db2.gz DLSMYWCFQPYLNT-DEOSSOPVSA-N 1 1 440.925 5.320 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccnc(CSc4ccccc4)n2)C3)c1 ZINC001164996458 722213043 /nfs/dbraw/zinc/21/30/43/722213043.db2.gz NJNFIYXIOFVUFP-VWLOTQADSA-N 1 1 434.584 5.153 20 0 IKADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4CCCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164420533 718902374 /nfs/dbraw/zinc/90/23/74/718902374.db2.gz KLMIZBBGIMDDQY-RBBKRZOGSA-N 1 1 448.636 5.350 20 0 IKADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4CCCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164420532 718902976 /nfs/dbraw/zinc/90/29/76/718902976.db2.gz KLMIZBBGIMDDQY-IRLDBZIGSA-N 1 1 448.636 5.350 20 0 IKADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3C(F)(F)F)c1)C2 ZINC001164448939 718992236 /nfs/dbraw/zinc/99/22/36/718992236.db2.gz KFJFCFIKANMHBG-UHFFFAOYSA-N 1 1 442.819 5.491 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)nc1 ZINC001164637462 719263582 /nfs/dbraw/zinc/26/35/82/719263582.db2.gz LDCBZDNYOODZJF-ZBCONREDSA-N 1 1 449.643 5.289 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[C@@H](c4nc(C5CC5)cs4)O[C@@H]3C2)nc1 ZINC001164645114 719290785 /nfs/dbraw/zinc/29/07/85/719290785.db2.gz CCXHUHFAJQKBLW-FCJDFRRUSA-N 1 1 438.641 5.319 20 0 IKADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(-c3ccccc3)c3ccccc3n1)CC2 ZINC001164653590 719314530 /nfs/dbraw/zinc/31/45/30/719314530.db2.gz WZMDNZVWDQGAQB-UHFFFAOYSA-N 1 1 425.580 5.304 20 0 IKADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc4cc(F)c(Cl)cc42)CC3)cc1 ZINC001164677359 719531286 /nfs/dbraw/zinc/53/12/86/719531286.db2.gz CZTAXAROLPLRRW-UHFFFAOYSA-N 1 1 443.925 5.038 20 0 IKADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc4cc(F)c(Cl)cc42)CC3)cc1 ZINC001164677359 719531289 /nfs/dbraw/zinc/53/12/89/719531289.db2.gz CZTAXAROLPLRRW-UHFFFAOYSA-N 1 1 443.925 5.038 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)ncc2Cl)CC3)cs1 ZINC001164692877 719803856 /nfs/dbraw/zinc/80/38/56/719803856.db2.gz QJSMYFLJMOCOKO-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)ncc2Cl)CC3)cs1 ZINC001164692877 719803858 /nfs/dbraw/zinc/80/38/58/719803858.db2.gz QJSMYFLJMOCOKO-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)nc4ccc(F)cc42)CC3)cs1 ZINC001164691966 719806628 /nfs/dbraw/zinc/80/66/28/719806628.db2.gz CNSPKOFCLSMFKV-UHFFFAOYSA-N 1 1 430.980 5.427 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc4nc(Cl)cnc4cc2Cl)CC3)cs1 ZINC001164691948 719807868 /nfs/dbraw/zinc/80/78/68/719807868.db2.gz BENIICYVUQXZDA-UHFFFAOYSA-N 1 1 448.423 5.337 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4cccc(Cl)c42)CC3)cs1 ZINC001164694364 719808415 /nfs/dbraw/zinc/80/84/15/719808415.db2.gz WCSUFMZPAHVNDI-UHFFFAOYSA-N 1 1 448.423 5.337 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4cc(Cl)ccc42)CC3)cs1 ZINC001164691950 719808536 /nfs/dbraw/zinc/80/85/36/719808536.db2.gz BHXQBZQQFAAJRA-UHFFFAOYSA-N 1 1 448.423 5.337 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)nnc2-c2ccccc2)CC3)cs1 ZINC001164693824 719808962 /nfs/dbraw/zinc/80/89/62/719808962.db2.gz RLUPBSCIVIRVSD-UHFFFAOYSA-N 1 1 440.016 5.197 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(-c4cccc(Cl)n4)n2)CC3)cs1 ZINC001164693098 719808984 /nfs/dbraw/zinc/80/89/84/719808984.db2.gz QBFZGSVRFAHAQW-UHFFFAOYSA-N 1 1 440.016 5.197 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)ncc2-c2ccccc2)CC3)cs1 ZINC001164691972 719809029 /nfs/dbraw/zinc/80/90/29/719809029.db2.gz CZCNXLRWRKFHGR-UHFFFAOYSA-N 1 1 440.016 5.197 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(OCc4ccccc4)n2)CC3)cs1 ZINC001164694028 719811906 /nfs/dbraw/zinc/81/19/06/719811906.db2.gz ZSMBKRVWSPGHFU-UHFFFAOYSA-N 1 1 434.609 5.061 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4cc(Cl)c(Cl)cc42)CC3)cs1 ZINC001164692644 719811988 /nfs/dbraw/zinc/81/19/88/719811988.db2.gz QIZKLSRICDMGCL-UHFFFAOYSA-N 1 1 448.423 5.337 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C4CCCCC4)nc(C)n2)CC3)cs1 ZINC001164693833 719812374 /nfs/dbraw/zinc/81/23/74/719812374.db2.gz YWYGMDWYVFCTJV-UHFFFAOYSA-N 1 1 425.646 5.233 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(Cl)nc(Cl)nc2C2CC2)CC3)cs1 ZINC001164702865 719816319 /nfs/dbraw/zinc/81/63/19/719816319.db2.gz TUSVULXQQRNHSC-UHFFFAOYSA-N 1 1 438.428 5.061 20 0 IKADMO Cc1c(Cl)ccc2ccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)nc21 ZINC001164699085 719896416 /nfs/dbraw/zinc/89/64/16/719896416.db2.gz WYONIKLTDZCVAY-UHFFFAOYSA-N 1 1 428.001 5.130 20 0 IKADMO Cc1cccc2cc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164707940 719904236 /nfs/dbraw/zinc/90/42/36/719904236.db2.gz ZWEGNKDFNWVITI-UHFFFAOYSA-N 1 1 428.001 5.130 20 0 IKADMO Fc1ccc(F)c2c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)cc(Cl)nc12 ZINC001164707276 719910145 /nfs/dbraw/zinc/91/01/45/719910145.db2.gz NZXFZCBDINCJTB-UHFFFAOYSA-N 1 1 449.954 5.099 20 0 IKADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccc(C)c(C)c3n1)CC2 ZINC001164712137 720145582 /nfs/dbraw/zinc/14/55/82/720145582.db2.gz KNTGAQXCGABJGW-XMMPIXPASA-N 1 1 444.623 5.063 20 0 IKADMO FC1(F)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@]12CCN(c1ccccc1)C2 ZINC001164824419 720394989 /nfs/dbraw/zinc/39/49/89/720394989.db2.gz RKNMKFYTQJJVRH-HSZRJFAPSA-N 1 1 446.973 5.073 20 0 IKADMO Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726957 720399618 /nfs/dbraw/zinc/39/96/18/720399618.db2.gz QACWNDGQVWRLJO-BJKOFHAPSA-N 1 1 441.966 5.198 20 0 IKADMO Cc1ccc(-c2nnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c3ccccc32)cc1C ZINC001164725741 720435543 /nfs/dbraw/zinc/43/55/43/720435543.db2.gz AWUNSLATIYUOBH-UIOOFZCWSA-N 1 1 435.575 5.162 20 0 IKADMO Clc1ccc(-c2cc3ncnc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c3s2)cc1 ZINC001164735057 720437696 /nfs/dbraw/zinc/43/76/96/720437696.db2.gz VKXMTJYSJFQXLK-LEWJYISDSA-N 1 1 447.995 5.260 20 0 IKADMO COc1ccc2c(c1)nc(N1CC[C@H]3[C@H]1CC[N@H+]3Cc1cccnc1)cc2-c1ccccc1 ZINC001164727816 720440165 /nfs/dbraw/zinc/44/01/65/720440165.db2.gz FCIYPNXPSKHYCN-RRPNLBNLSA-N 1 1 436.559 5.159 20 0 IKADMO c1cncc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 ZINC001164722926 720465549 /nfs/dbraw/zinc/46/55/49/720465549.db2.gz BGJZSZLWGYZVCG-RRPNLBNLSA-N 1 1 439.607 5.440 20 0 IKADMO c1cncc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 ZINC001164722932 720465740 /nfs/dbraw/zinc/46/57/40/720465740.db2.gz BGJZSZLWGYZVCG-SXOMAYOGSA-N 1 1 439.607 5.440 20 0 IKADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728919 720487331 /nfs/dbraw/zinc/48/73/31/720487331.db2.gz PORGCHNDYQPNFU-MOPGFXCFSA-N 1 1 446.954 5.257 20 0 IKADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728919 720487340 /nfs/dbraw/zinc/48/73/40/720487340.db2.gz PORGCHNDYQPNFU-MOPGFXCFSA-N 1 1 446.954 5.257 20 0 IKADMO CC(C)c1cc2c(ncnc2N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001164837066 720657874 /nfs/dbraw/zinc/65/78/74/720657874.db2.gz BCARWQXQAFULDJ-FQEVSTJZSA-N 1 1 436.625 5.075 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164838303 720715078 /nfs/dbraw/zinc/71/50/78/720715078.db2.gz HWGALWPIYNHDKN-QHCPKHFHSA-N 1 1 448.998 5.057 20 0 IKADMO CC(C)(c1ccnc(Cl)c1)[N@@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC001164841846 720746302 /nfs/dbraw/zinc/74/63/02/720746302.db2.gz AHENIWGENHLBER-UHFFFAOYSA-N 1 1 449.982 5.253 20 0 IKADMO CC(C)(c1ccnc(Cl)c1)[N@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC001164841846 720746309 /nfs/dbraw/zinc/74/63/09/720746309.db2.gz AHENIWGENHLBER-UHFFFAOYSA-N 1 1 449.982 5.253 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)[C@H]2C ZINC001164862370 720944308 /nfs/dbraw/zinc/94/43/08/720944308.db2.gz VHBAYOKUSMQSAB-JTQLQIEISA-N 1 1 437.202 5.313 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)[C@@H]2C ZINC001164858355 720952850 /nfs/dbraw/zinc/95/28/50/720952850.db2.gz IRDKKAOPUFFFEN-OAHLLOKOSA-N 1 1 433.934 5.051 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)[C@@H]2C ZINC001164861601 720952901 /nfs/dbraw/zinc/95/29/01/720952901.db2.gz SZVFPSTYUAZUEQ-OAHLLOKOSA-N 1 1 433.934 5.051 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)[C@H]2C ZINC001164861591 720952945 /nfs/dbraw/zinc/95/29/45/720952945.db2.gz SZVFPSTYUAZUEQ-HNNXBMFYSA-N 1 1 433.934 5.051 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)[C@H]2C ZINC001164858348 720953712 /nfs/dbraw/zinc/95/37/12/720953712.db2.gz IRDKKAOPUFFFEN-HNNXBMFYSA-N 1 1 433.934 5.051 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc3c(Cl)nccc31)[C@H]2C ZINC001164863401 720986123 /nfs/dbraw/zinc/98/61/23/720986123.db2.gz UZCZQGURTUCAEJ-HNNXBMFYSA-N 1 1 433.934 5.051 20 0 IKADMO Cc1sc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)c2c1-c1ccccc1 ZINC001164863467 721003307 /nfs/dbraw/zinc/00/33/07/721003307.db2.gz VREVCHQBEWOARA-KRWDZBQOSA-N 1 1 446.624 5.285 20 0 IKADMO Cc1ccc(-c2nc3ccccc3c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)n2)s1 ZINC001164861029 721008612 /nfs/dbraw/zinc/00/86/12/721008612.db2.gz MXDSDFXOWXSNMD-SFHVURJKSA-N 1 1 446.624 5.285 20 0 IKADMO c1csc(C[N@H+]2C[C@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@H]3C2)n1 ZINC001164788815 721433564 /nfs/dbraw/zinc/43/35/64/721433564.db2.gz SWCNNWJVFSLGFC-ZRZAMGCNSA-N 1 1 445.636 5.216 20 0 IKADMO c1csc(C[N@@H+]2C[C@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@H]3C2)n1 ZINC001164788815 721433567 /nfs/dbraw/zinc/43/35/67/721433567.db2.gz SWCNNWJVFSLGFC-ZRZAMGCNSA-N 1 1 445.636 5.216 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)ncc1Cl)CC2 ZINC001164792255 721490476 /nfs/dbraw/zinc/49/04/76/721490476.db2.gz IIVIJGRKDGZAEX-UHFFFAOYSA-N 1 1 441.353 5.209 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164793002 721492761 /nfs/dbraw/zinc/49/27/61/721492761.db2.gz YIUGMXFCXIUNGP-UHFFFAOYSA-N 1 1 425.791 5.318 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3ccc(Cl)cc3nc1Cl)CC2 ZINC001164792305 721493373 /nfs/dbraw/zinc/49/33/73/721493373.db2.gz NSBIJXOFOVFEMB-UHFFFAOYSA-N 1 1 442.394 5.213 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3ccccc3)nc3ccccc31)CC2 ZINC001164792204 721493965 /nfs/dbraw/zinc/49/39/65/721493965.db2.gz KFRYBVIDBILZEU-UHFFFAOYSA-N 1 1 449.602 5.573 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc3c(Cl)ccnc31)CC2 ZINC001164792251 721494577 /nfs/dbraw/zinc/49/45/77/721494577.db2.gz LSBHFWHWRWXQCC-UHFFFAOYSA-N 1 1 442.394 5.213 20 0 IKADMO C[C@@H]1CCc2c(sc3ncnc(N4CCC5(CC([N@@H+](C)Cc6ccncc6)C5)CC4)c23)C1 ZINC001164792548 721494791 /nfs/dbraw/zinc/49/47/91/721494791.db2.gz QPGLOLPNOVTCAA-GOSISDBHSA-N 1 1 447.652 5.092 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3ccccc3c(-c3ccccc3)n1)CC2 ZINC001164792545 721494807 /nfs/dbraw/zinc/49/48/07/721494807.db2.gz QMXLTNHSGJDXEI-UHFFFAOYSA-N 1 1 449.602 5.573 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncnc3[nH]c4ccc(Cl)cc4c31)CC2 ZINC001164796305 721499586 /nfs/dbraw/zinc/49/95/86/721499586.db2.gz PQVIBUYZZNNCMU-UHFFFAOYSA-N 1 1 446.986 5.041 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3cccc4ccccc43)nn1)CC2 ZINC001164796343 721501815 /nfs/dbraw/zinc/50/18/15/721501815.db2.gz QTCQDDFRVHULBJ-UHFFFAOYSA-N 1 1 449.602 5.573 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nnc(Cl)c3ccc(Cl)cc31)CC2 ZINC001164796818 721502181 /nfs/dbraw/zinc/50/21/81/721502181.db2.gz ZDADSUZBUOVBOH-UHFFFAOYSA-N 1 1 442.394 5.213 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc(SCc3ccccc3)n1)CC2 ZINC001164795935 721503017 /nfs/dbraw/zinc/50/30/17/721503017.db2.gz OTASWINWEFVGHH-UHFFFAOYSA-N 1 1 445.636 5.045 20 0 IKADMO FC1(F)CCN(c2c(Cl)cc(Cl)nc2Cl)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905340 721694798 /nfs/dbraw/zinc/69/47/98/721694798.db2.gz IPIIRWLPMYXKNO-GOSISDBHSA-N 1 1 447.744 5.175 20 0 IKADMO Cc1ccc2nc(Cl)cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906953 721696312 /nfs/dbraw/zinc/69/63/12/721696312.db2.gz PIFUIPTVRANJBB-QHCPKHFHSA-N 1 1 442.941 5.329 20 0 IKADMO FC1(F)CCN(c2cc(Cl)nc3sccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904927 721698318 /nfs/dbraw/zinc/69/83/18/721698318.db2.gz HQYNVHAKPWYGDL-FQEVSTJZSA-N 1 1 434.943 5.082 20 0 IKADMO FC1(F)CCN(c2ccc3c(Cl)cccc3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907111 721702729 /nfs/dbraw/zinc/70/27/29/721702729.db2.gz SDFCPXXJAZTPDW-JOCHJYFZSA-N 1 1 428.914 5.021 20 0 IKADMO FC1(F)CCN(c2c(Cl)ncc(Cl)c2Cl)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904916 721706983 /nfs/dbraw/zinc/70/69/83/721706983.db2.gz FNBNGQANGYJWGC-SFHVURJKSA-N 1 1 447.744 5.175 20 0 IKADMO FC1(F)CCN(c2nccc3cccc(Cl)c32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907707 721707084 /nfs/dbraw/zinc/70/70/84/721707084.db2.gz SPVDKIRAGHYYLF-QFIPXVFZSA-N 1 1 428.914 5.021 20 0 IKADMO Cc1c(Cl)ccc2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc12 ZINC001164908529 721719088 /nfs/dbraw/zinc/71/90/88/721719088.db2.gz XILUXCIZULRIIC-HSZRJFAPSA-N 1 1 442.941 5.329 20 0 IKADMO COc1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c2cc(Cl)ccc12 ZINC001164909596 721754526 /nfs/dbraw/zinc/75/45/26/721754526.db2.gz JKLDRAFKROXFJX-UHFFFAOYSA-N 1 1 448.954 5.080 20 0 IKADMO COc1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c2cc(Cl)ccc12 ZINC001164909596 721754529 /nfs/dbraw/zinc/75/45/29/721754529.db2.gz JKLDRAFKROXFJX-UHFFFAOYSA-N 1 1 448.954 5.080 20 0 IKADMO Cc1cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc2cc(Cl)ccc12 ZINC001164911861 721756946 /nfs/dbraw/zinc/75/69/46/721756946.db2.gz ZTAWPEUTKRKNMQ-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO Cc1cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc2cc(Cl)ccc12 ZINC001164911861 721756948 /nfs/dbraw/zinc/75/69/48/721756948.db2.gz ZTAWPEUTKRKNMQ-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO CC(C)c1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cc(C(C)(C)C)n1 ZINC001164910897 721763288 /nfs/dbraw/zinc/76/32/88/721763288.db2.gz LVUBWGCADKEOND-UHFFFAOYSA-N 1 1 433.600 5.080 20 0 IKADMO CC(C)c1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cc(C(C)(C)C)n1 ZINC001164910897 721763289 /nfs/dbraw/zinc/76/32/89/721763289.db2.gz LVUBWGCADKEOND-UHFFFAOYSA-N 1 1 433.600 5.080 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@@H]21 ZINC001165027804 721801743 /nfs/dbraw/zinc/80/17/43/721801743.db2.gz XRWMCSHRILJJHM-UCLAIMLFSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@@H]21 ZINC001165028784 721801856 /nfs/dbraw/zinc/80/18/56/721801856.db2.gz ZRVGAZCVKMRPCY-JCGIZDLHSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@H]21 ZINC001165023959 721802084 /nfs/dbraw/zinc/80/20/84/721802084.db2.gz KJUZOPYWHXLYBL-ZSZQSSIHSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@H]21 ZINC001165023953 721802097 /nfs/dbraw/zinc/80/20/97/721802097.db2.gz KJUZOPYWHXLYBL-IDHHARJASA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@H]21 ZINC001165028776 721802145 /nfs/dbraw/zinc/80/21/45/721802145.db2.gz ZRVGAZCVKMRPCY-BMGDILEWSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)cc(Cl)nc3Cl)C[C@@H]21 ZINC001165025042 721806119 /nfs/dbraw/zinc/80/61/19/721806119.db2.gz NJCBCWBNGBMGIP-UKPHBRMFSA-N 1 1 425.791 5.174 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4c(Cl)ccnc43)C[C@H]21 ZINC001165026108 721810805 /nfs/dbraw/zinc/81/08/05/721810805.db2.gz PEHYOMUUEPWYTQ-QKYXUNIQSA-N 1 1 442.394 5.069 20 0 IKADMO COc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c2cc(Cl)ccc12 ZINC001165027431 721812476 /nfs/dbraw/zinc/81/24/76/721812476.db2.gz USEOUZFEUUJLQO-IMRHEYAYSA-N 1 1 436.987 5.029 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)ncc(Cl)c3Cl)C[C@H]21 ZINC001165024925 721813625 /nfs/dbraw/zinc/81/36/25/721813625.db2.gz LIIQPVJOBLOULJ-YSVLISHTSA-N 1 1 425.791 5.174 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4cc(Cl)c(Cl)cc43)C[C@@H]21 ZINC001165026498 721819162 /nfs/dbraw/zinc/81/91/62/721819162.db2.gz QWQOLHXPEWBWFS-LZFQIVBZSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4cccc5ccccc54)nn3)C[C@@H]21 ZINC001165028372 721827121 /nfs/dbraw/zinc/82/71/21/721827121.db2.gz VPTZDRNTOJSBLN-AEAGWUPHSA-N 1 1 449.602 5.429 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(Cl)cccc4nc3Cl)C[C@H]21 ZINC001165027535 721829566 /nfs/dbraw/zinc/82/95/66/721829566.db2.gz SNCJHUHMDZLUQG-XAUMDUMWSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cnc(Cl)nc3Oc3ccccc3)C[C@@H]21 ZINC001165029706 721830602 /nfs/dbraw/zinc/83/06/02/721830602.db2.gz XNMJJKQHURJVMK-BVYCBKJFSA-N 1 1 449.986 5.054 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)ccc4c(Cl)ncnc43)C[C@@H]21 ZINC001165022368 721831307 /nfs/dbraw/zinc/83/13/07/721831307.db2.gz HBEQXHOGBMGKNZ-MOXGXCLJSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)ccc4c(Cl)ncnc43)C[C@H]21 ZINC001165022371 721831760 /nfs/dbraw/zinc/83/17/60/721831760.db2.gz HBEQXHOGBMGKNZ-QKYXUNIQSA-N 1 1 442.394 5.069 20 0 IKADMO c1cc(-c2nc3ccccc3c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)n2)cs1 ZINC001164955890 722022240 /nfs/dbraw/zinc/02/22/40/722022240.db2.gz RGJOFTBHHWVZMR-UHFFFAOYSA-N 1 1 441.604 5.246 20 0 IKADMO Cc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164962061 722024424 /nfs/dbraw/zinc/02/44/24/722024424.db2.gz OYKMUHSPLSKODJ-UHFFFAOYSA-N 1 1 449.986 5.118 20 0 IKADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)nc1 ZINC001164962806 722044401 /nfs/dbraw/zinc/04/44/01/722044401.db2.gz PRTRNDQPWLBVKE-OFVILXPXSA-N 1 1 438.641 5.022 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)nc1 ZINC001164962808 722044413 /nfs/dbraw/zinc/04/44/13/722044413.db2.gz PRTRNDQPWLBVKE-PXDATVDWSA-N 1 1 438.641 5.022 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@@H](OCC4CCCC4)CO3)C2)nc1 ZINC001164978648 722166171 /nfs/dbraw/zinc/16/61/71/722166171.db2.gz REKDWZKHMYJCMW-SLQPCKNISA-N 1 1 441.660 5.353 20 0 IKADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164995276 722213723 /nfs/dbraw/zinc/21/37/23/722213723.db2.gz HWPDYHILVWWIPO-NRFANRHFSA-N 1 1 435.921 5.239 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164995276 722213725 /nfs/dbraw/zinc/21/37/25/722213725.db2.gz HWPDYHILVWWIPO-NRFANRHFSA-N 1 1 435.921 5.239 20 0 IKADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164994683 722213735 /nfs/dbraw/zinc/21/37/35/722213735.db2.gz CJHHCBHPRWIITI-NRFANRHFSA-N 1 1 435.921 5.239 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164994683 722213737 /nfs/dbraw/zinc/21/37/37/722213737.db2.gz CJHHCBHPRWIITI-NRFANRHFSA-N 1 1 435.921 5.239 20 0 IKADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164995278 722213776 /nfs/dbraw/zinc/21/37/76/722213776.db2.gz HWPDYHILVWWIPO-OAQYLSRUSA-N 1 1 435.921 5.239 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164995278 722213777 /nfs/dbraw/zinc/21/37/77/722213777.db2.gz HWPDYHILVWWIPO-OAQYLSRUSA-N 1 1 435.921 5.239 20 0 IKADMO Cc1ccc(-c2nc3ccccc3c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)n2)s1 ZINC001164650482 719316005 /nfs/dbraw/zinc/31/60/05/719316005.db2.gz DWSDTJIKOLDXMY-UHFFFAOYSA-N 1 1 446.624 5.068 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(Cl)cc(Cl)nc2Cl)CC3)cs1 ZINC001164693344 719805843 /nfs/dbraw/zinc/80/58/43/719805843.db2.gz SFRDRXFKPUBLLF-UHFFFAOYSA-N 1 1 431.820 5.442 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(Cl)ncc(Cl)c2Cl)CC3)cs1 ZINC001164691975 719809033 /nfs/dbraw/zinc/80/90/33/719809033.db2.gz DATMCPVZAGCRNU-UHFFFAOYSA-N 1 1 431.820 5.442 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(C)c4ccc(Cl)cc4n2)CC3)cs1 ZINC001164692085 719811375 /nfs/dbraw/zinc/81/13/75/719811375.db2.gz LKVSBOQWBIFJJO-UHFFFAOYSA-N 1 1 427.017 5.597 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4ccccc4Cl)nn2)CC3)cs1 ZINC001164692153 719811437 /nfs/dbraw/zinc/81/14/37/719811437.db2.gz MJTBVQBTVAZCCH-UHFFFAOYSA-N 1 1 440.016 5.197 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncccc2OCc2ccccc2)CC3)cs1 ZINC001164693089 719813320 /nfs/dbraw/zinc/81/33/20/719813320.db2.gz UJDOWVJCCVGJIS-UHFFFAOYSA-N 1 1 434.609 5.061 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(-c4cccc(Cl)c4)ncn2)CC3)cs1 ZINC001164693915 719814563 /nfs/dbraw/zinc/81/45/63/719814563.db2.gz ZFQKQYXPTGIKMC-UHFFFAOYSA-N 1 1 440.016 5.197 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(Cl)ccc4ccc(Cl)nc42)CC3)cs1 ZINC001164703477 719816000 /nfs/dbraw/zinc/81/60/00/719816000.db2.gz VNQRBLWZBVLBOV-UHFFFAOYSA-N 1 1 447.435 5.942 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc(C4CCCCC4)n2)CC3)cs1 ZINC001164704524 719816554 /nfs/dbraw/zinc/81/65/54/719816554.db2.gz ZCWSWOQUDHFMHI-UHFFFAOYSA-N 1 1 446.064 5.578 20 0 IKADMO Clc1ccc(-c2ccccc2)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164695740 719891918 /nfs/dbraw/zinc/89/19/18/719891918.db2.gz UJHUMEJAAGURBT-UHFFFAOYSA-N 1 1 440.012 5.335 20 0 IKADMO Cc1csc2c1nc(Cl)cc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164696809 719896322 /nfs/dbraw/zinc/89/63/22/719896322.db2.gz IFBJRPTXCJDQAT-UHFFFAOYSA-N 1 1 434.030 5.191 20 0 IKADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164725212 720359569 /nfs/dbraw/zinc/35/95/69/720359569.db2.gz MPOUPUIVZYHVTE-SVBPBHIXSA-N 1 1 433.559 5.059 20 0 IKADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164725211 720359962 /nfs/dbraw/zinc/35/99/62/720359962.db2.gz MPOUPUIVZYHVTE-RRPNLBNLSA-N 1 1 433.559 5.059 20 0 IKADMO c1ccc(-c2ncc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2-c2ccccc2)cc1 ZINC001164725137 720377485 /nfs/dbraw/zinc/37/74/85/720377485.db2.gz MLSFMSBJMBJZTH-RPBOFIJWSA-N 1 1 433.559 5.059 20 0 IKADMO Clc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164731056 720380785 /nfs/dbraw/zinc/38/07/85/720380785.db2.gz YOMUZHYXMYOYIE-DNQXCXABSA-N 1 1 441.966 5.198 20 0 IKADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)nc1 ZINC001164829805 720395744 /nfs/dbraw/zinc/39/57/44/720395744.db2.gz OHPOTBUYJMZSNC-ZCYQVOJMSA-N 1 1 440.582 5.371 20 0 IKADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725454 720399274 /nfs/dbraw/zinc/39/92/74/720399274.db2.gz NMMIEXVHYABDSX-ZEQRLZLVSA-N 1 1 441.966 5.198 20 0 IKADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725441 720399845 /nfs/dbraw/zinc/39/98/45/720399845.db2.gz NMMIEXVHYABDSX-BJKOFHAPSA-N 1 1 441.966 5.198 20 0 IKADMO c1ccc(COc2ccc3nc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)ccc3c2)cc1 ZINC001164725878 720400055 /nfs/dbraw/zinc/40/00/55/720400055.db2.gz OAXBBNPNFBDTQL-KAYWLYCHSA-N 1 1 436.559 5.062 20 0 IKADMO Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726968 720400822 /nfs/dbraw/zinc/40/08/22/720400822.db2.gz QACWNDGQVWRLJO-ZEQRLZLVSA-N 1 1 441.966 5.198 20 0 IKADMO Clc1ccc2nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc(-c3ccccc3)c2c1 ZINC001164731575 720433696 /nfs/dbraw/zinc/43/36/96/720433696.db2.gz LWZDACWDCVZDOS-ZEQRLZLVSA-N 1 1 441.966 5.198 20 0 IKADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732841 720439328 /nfs/dbraw/zinc/43/93/28/720439328.db2.gz OOKCVSGTCCBCJQ-RBUKOAKNSA-N 1 1 447.633 5.285 20 0 IKADMO Cc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164734761 720462248 /nfs/dbraw/zinc/46/22/48/720462248.db2.gz UFDSKGKPYUPIET-KAYWLYCHSA-N 1 1 447.586 5.367 20 0 IKADMO c1cncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 ZINC001164722929 720466857 /nfs/dbraw/zinc/46/68/57/720466857.db2.gz BGJZSZLWGYZVCG-SVBPBHIXSA-N 1 1 439.607 5.440 20 0 IKADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728922 720486819 /nfs/dbraw/zinc/48/68/19/720486819.db2.gz PORGCHNDYQPNFU-OALUTQOASA-N 1 1 446.954 5.257 20 0 IKADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728922 720486827 /nfs/dbraw/zinc/48/68/27/720486827.db2.gz PORGCHNDYQPNFU-OALUTQOASA-N 1 1 446.954 5.257 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164843744 720675589 /nfs/dbraw/zinc/67/55/89/720675589.db2.gz XLEBSTUIDRWFBD-QHCPKHFHSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164840573 720691911 /nfs/dbraw/zinc/69/19/11/720691911.db2.gz GTLCFYKDUODPJA-OAQYLSRUSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164839554 720693563 /nfs/dbraw/zinc/69/35/63/720693563.db2.gz ALQUJVONMMLORW-INIZCTEOSA-N 1 1 440.802 5.302 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164845226 720700893 /nfs/dbraw/zinc/70/08/93/720700893.db2.gz WZHVSNYBUSCQAW-NRFANRHFSA-N 1 1 448.998 5.057 20 0 IKADMO CC(C)c1ccc2ncnc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)c2c1 ZINC001164840316 720713496 /nfs/dbraw/zinc/71/34/96/720713496.db2.gz PCPHVMFDXUDBLE-HSZRJFAPSA-N 1 1 430.596 5.013 20 0 IKADMO Cc1ccc(-c2csc3ncnc(N4CCn5c(C[N@H+](C)C(C)C)cnc5[C@@H]4C)c23)cc1 ZINC001164857023 720951104 /nfs/dbraw/zinc/95/11/04/720951104.db2.gz FJMHKETYQRYYNE-SFHVURJKSA-N 1 1 446.624 5.285 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc3ccnc(Cl)c31)[C@@H]2C ZINC001164858133 720974592 /nfs/dbraw/zinc/97/45/92/720974592.db2.gz HQMVFBVMNARGSC-OAHLLOKOSA-N 1 1 433.934 5.051 20 0 IKADMO Cc1nc(-c2ccccc2Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1C ZINC001164863683 721011497 /nfs/dbraw/zinc/01/14/97/721011497.db2.gz UPHPDDZXVYNQPK-SFHVURJKSA-N 1 1 439.007 5.032 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1ccc3c(Cl)nccc3c1)[C@H]2C ZINC001164857962 721012331 /nfs/dbraw/zinc/01/23/31/721012331.db2.gz DQQYTAGPHRKUCA-HNNXBMFYSA-N 1 1 433.934 5.051 20 0 IKADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164860322 721018590 /nfs/dbraw/zinc/01/85/90/721018590.db2.gz KXXFIPHJBRSMPH-AWEZNQCLSA-N 1 1 433.934 5.093 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3ncnc(-c4ccc(F)cc4)c3CC2)nc1 ZINC001164776586 721315949 /nfs/dbraw/zinc/31/59/49/721315949.db2.gz FLUDCJXQCYSKNH-RUZDIDTESA-N 1 1 445.586 5.220 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3cc(Cl)ccc31)CC2 ZINC001164792608 721493258 /nfs/dbraw/zinc/49/32/58/721493258.db2.gz SBDAASZSWSDTRF-UHFFFAOYSA-N 1 1 441.406 5.818 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164792606 721495595 /nfs/dbraw/zinc/49/55/95/721495595.db2.gz RYMUIJWCPJTCLN-UHFFFAOYSA-N 1 1 433.987 5.073 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164795119 721497643 /nfs/dbraw/zinc/49/76/43/721497643.db2.gz DOFDIOMGJYORLK-UHFFFAOYSA-N 1 1 433.987 5.073 20 0 IKADMO Cc1ccc(C)c(-c2ccc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)nn2)c1 ZINC001164796360 721501200 /nfs/dbraw/zinc/50/12/00/721501200.db2.gz RESUEDMMVQTBAR-UHFFFAOYSA-N 1 1 427.596 5.036 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc(Cl)nc1-c1ccccc1)CC2 ZINC001164796720 721501372 /nfs/dbraw/zinc/50/13/72/721501372.db2.gz WIEYWKRUQFDDOE-UHFFFAOYSA-N 1 1 433.987 5.073 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(SCc3ccccc3)ncn1)CC2 ZINC001164795122 721502528 /nfs/dbraw/zinc/50/25/28/721502528.db2.gz DRFKGNGQZLCCJS-UHFFFAOYSA-N 1 1 445.636 5.045 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(Cl)ccc3ccc(Cl)nc31)CC2 ZINC001164797411 721502833 /nfs/dbraw/zinc/50/28/33/721502833.db2.gz ZHLIYIGBKXLAEU-UHFFFAOYSA-N 1 1 441.406 5.818 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cnc(Cl)nc1Oc1ccccc1)CC2 ZINC001164795266 721503595 /nfs/dbraw/zinc/50/35/95/721503595.db2.gz JAYOSEYANXGHSS-UHFFFAOYSA-N 1 1 449.986 5.198 20 0 IKADMO COc1cc2cnc(Cl)cc2cc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796228 721504613 /nfs/dbraw/zinc/50/46/13/721504613.db2.gz QEISRUFOADAIQV-UHFFFAOYSA-N 1 1 436.987 5.173 20 0 IKADMO Fc1ccc2c(c1)cc(Cl)nc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164903330 721583280 /nfs/dbraw/zinc/58/32/80/721583280.db2.gz LWQJQUGRCLMCPJ-JOCHJYFZSA-N 1 1 446.904 5.160 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@@]3(COCc3cncc(C)c3)C2)nc1 ZINC001164804932 721601705 /nfs/dbraw/zinc/60/17/05/721601705.db2.gz YTIYXYJKXLCTDQ-REUBFRLUSA-N 1 1 448.655 5.545 20 0 IKADMO FC1(F)CCN(c2nccc3cc(Cl)ccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907437 721698101 /nfs/dbraw/zinc/69/81/01/721698101.db2.gz SQKAHSFGYJYTIE-QFIPXVFZSA-N 1 1 428.914 5.021 20 0 IKADMO FC1(F)CCN(c2cc(Cl)nc3sccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904929 721698458 /nfs/dbraw/zinc/69/84/58/721698458.db2.gz HQYNVHAKPWYGDL-HXUWFJFHSA-N 1 1 434.943 5.082 20 0 IKADMO FC1(F)CCN(c2nc3ccccc3cc2Cl)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906555 721698467 /nfs/dbraw/zinc/69/84/67/721698467.db2.gz NKCJRLDJQYSIMT-JOCHJYFZSA-N 1 1 428.914 5.021 20 0 IKADMO FC1(F)CCN(c2nccc3c(Cl)cccc32)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164904200 721702251 /nfs/dbraw/zinc/70/22/51/721702251.db2.gz DRMWODUTKFCEBO-QFIPXVFZSA-N 1 1 428.914 5.021 20 0 IKADMO Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2cc(Cl)ccc12 ZINC001164906239 721713529 /nfs/dbraw/zinc/71/35/29/721713529.db2.gz LLDLFIXAIDEWPD-HSZRJFAPSA-N 1 1 442.941 5.329 20 0 IKADMO Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc2cc(Cl)ccc12 ZINC001164906241 721714623 /nfs/dbraw/zinc/71/46/23/721714623.db2.gz LLDLFIXAIDEWPD-QHCPKHFHSA-N 1 1 442.941 5.329 20 0 IKADMO CC(C)c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(C(C)(C)C)n1 ZINC001164913163 721730541 /nfs/dbraw/zinc/73/05/41/721730541.db2.gz UQMFSTHXHXBNOJ-XMMPIXPASA-N 1 1 443.586 5.030 20 0 IKADMO COc1cccc2c(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)cc(Cl)nc12 ZINC001164908391 721744014 /nfs/dbraw/zinc/74/40/14/721744014.db2.gz HOLOFWBDEGVYKZ-UHFFFAOYSA-N 1 1 448.954 5.080 20 0 IKADMO COc1cccc2c(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)cc(Cl)nc12 ZINC001164908391 721744024 /nfs/dbraw/zinc/74/40/24/721744024.db2.gz HOLOFWBDEGVYKZ-UHFFFAOYSA-N 1 1 448.954 5.080 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3ccccc3)cc(Cl)n1)C2 ZINC001164909018 721753951 /nfs/dbraw/zinc/75/39/51/721753951.db2.gz CLSDNDHVEMQJQJ-UHFFFAOYSA-N 1 1 444.966 5.585 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(-c3ccccc3)cc(Cl)n1)C2 ZINC001164909018 721753954 /nfs/dbraw/zinc/75/39/54/721753954.db2.gz CLSDNDHVEMQJQJ-UHFFFAOYSA-N 1 1 444.966 5.585 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(F)cc3ccc(Cl)nc31)C2 ZINC001164910784 721754764 /nfs/dbraw/zinc/75/47/64/721754764.db2.gz RPNLTPGXCUBGFC-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(F)cc3ccc(Cl)nc31)C2 ZINC001164910784 721754767 /nfs/dbraw/zinc/75/47/67/721754767.db2.gz RPNLTPGXCUBGFC-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO Cc1csc2c1nc(Cl)cc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910870 721758194 /nfs/dbraw/zinc/75/81/94/721758194.db2.gz SVHBODWDUYPRSI-UHFFFAOYSA-N 1 1 438.984 5.441 20 0 IKADMO Cc1csc2c1nc(Cl)cc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910870 721758199 /nfs/dbraw/zinc/75/81/99/721758199.db2.gz SVHBODWDUYPRSI-UHFFFAOYSA-N 1 1 438.984 5.441 20 0 IKADMO Cc1c(Cl)ccc2ccc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)nc21 ZINC001164911669 721758646 /nfs/dbraw/zinc/75/86/46/721758646.db2.gz WXYDGJSEPABBEY-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO Cc1c(Cl)ccc2ccc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)nc21 ZINC001164911669 721758651 /nfs/dbraw/zinc/75/86/51/721758651.db2.gz WXYDGJSEPABBEY-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911594 721764434 /nfs/dbraw/zinc/76/44/34/721764434.db2.gz PPKXIFDZRQKHHP-MRXNPFEDSA-N 1 1 439.991 5.135 20 0 IKADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911594 721764436 /nfs/dbraw/zinc/76/44/36/721764436.db2.gz PPKXIFDZRQKHHP-MRXNPFEDSA-N 1 1 439.991 5.135 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3c(F)cccc13)C2 ZINC001164910903 721765713 /nfs/dbraw/zinc/76/57/13/721765713.db2.gz LXQILGJHGJEVTO-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3c(F)cccc13)C2 ZINC001164910903 721765719 /nfs/dbraw/zinc/76/57/19/721765719.db2.gz LXQILGJHGJEVTO-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4ccc(Cl)cc43)C[C@H]21 ZINC001165018689 721799687 /nfs/dbraw/zinc/79/96/87/721799687.db2.gz BXBWTRVTZHCWSO-QFIXIFRTSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@H]21 ZINC001165024629 721802525 /nfs/dbraw/zinc/80/25/25/721802525.db2.gz MNPOZZUSLXGAKI-POZUXBRTSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)cc(Cl)nc3Cl)C[C@H]21 ZINC001165025040 721806195 /nfs/dbraw/zinc/80/61/95/721806195.db2.gz NJCBCWBNGBMGIP-FRFSOERESA-N 1 1 425.791 5.174 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccc(Cl)cc4nc3Cl)C[C@H]21 ZINC001165022276 721808119 /nfs/dbraw/zinc/80/81/19/721808119.db2.gz ILJJIYXYECYGRI-FQELHTAISA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccc(Cl)cc4nc3Cl)C[C@H]21 ZINC001165022282 721808169 /nfs/dbraw/zinc/80/81/69/721808169.db2.gz ILJJIYXYECYGRI-RRMPHLOHSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@@H]21 ZINC001165025973 721811507 /nfs/dbraw/zinc/81/15/07/721811507.db2.gz OOWAVGRPHSMBLA-QILLFSRXSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4cc(Cl)ccc43)C[C@H]21 ZINC001165022640 721811516 /nfs/dbraw/zinc/81/15/16/721811516.db2.gz GJAOQRYMRFIWGE-NYSBEXSLSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3c(Cl)ncc(Cl)c3Cl)C[C@@H]21 ZINC001165024923 721813479 /nfs/dbraw/zinc/81/34/79/721813479.db2.gz LIIQPVJOBLOULJ-JLJPHGGASA-N 1 1 425.791 5.174 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(SCc4ccccc4)ccn3)C[C@@H]21 ZINC001165021373 721826299 /nfs/dbraw/zinc/82/62/99/721826299.db2.gz FEQRDPDPTCEZJZ-UCGXPXSYSA-N 1 1 444.648 5.506 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(-c4cccc5ccccc54)nn3)C[C@H]21 ZINC001165028374 721827287 /nfs/dbraw/zinc/82/72/87/721827287.db2.gz VPTZDRNTOJSBLN-DUFKRMHYSA-N 1 1 449.602 5.429 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3)C[C@@H]21 ZINC001165029713 721830412 /nfs/dbraw/zinc/83/04/12/721830412.db2.gz XNMJJKQHURJVMK-YUXAGFNASA-N 1 1 449.986 5.054 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cnc(Cl)nc3Oc3ccccc3)C[C@H]21 ZINC001165029710 721830501 /nfs/dbraw/zinc/83/05/01/721830501.db2.gz XNMJJKQHURJVMK-VLCRHTCISA-N 1 1 449.986 5.054 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)ccc4c(Cl)ncnc43)C[C@H]21 ZINC001165022376 721831774 /nfs/dbraw/zinc/83/17/74/721831774.db2.gz HBEQXHOGBMGKNZ-XFQXTVEOSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@@H]21 ZINC001165023175 721832345 /nfs/dbraw/zinc/83/23/45/721832345.db2.gz IGINWOLMJHOEFI-VOQZNFBZSA-N 1 1 446.973 5.289 20 0 IKADMO COc1cc2cnc(Cl)cc2cc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027050 721832587 /nfs/dbraw/zinc/83/25/87/721832587.db2.gz RGXKUSFVYKLDJY-WTOYTKOKSA-N 1 1 436.987 5.029 20 0 IKADMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N(Cc2cccnc2)Cc2ccccn2)n1 ZINC001165038573 721881541 /nfs/dbraw/zinc/88/15/41/721881541.db2.gz VQFGYKCQZJGTBG-UHFFFAOYSA-N 1 1 446.624 5.147 20 0 IKADMO c1csc(-c2csc3ncnc(N4CCC5(CC[N@H+](Cc6cccnc6)C5)CC4)c23)c1 ZINC001164952109 722015130 /nfs/dbraw/zinc/01/51/30/722015130.db2.gz HJNVWHRJVYVLJL-UHFFFAOYSA-N 1 1 447.633 5.307 20 0 IKADMO FC(F)(c1cccc2ccnc(Cl)c21)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955443 722019207 /nfs/dbraw/zinc/01/92/07/722019207.db2.gz HBCJADHICZZRAQ-UHFFFAOYSA-N 1 1 442.941 5.321 20 0 IKADMO c1ccc2c(c1)cccc2-c1ccc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nn1 ZINC001164958816 722022891 /nfs/dbraw/zinc/02/28/91/722022891.db2.gz GATQVPWNUHEWEV-UHFFFAOYSA-N 1 1 435.575 5.184 20 0 IKADMO FC(F)c1nc2ccc(Cl)cc2c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164963439 722024014 /nfs/dbraw/zinc/02/40/14/722024014.db2.gz UAYJCXNZIIUFPJ-UHFFFAOYSA-N 1 1 443.929 5.108 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(-c4ccccn4)nc4sccc42)C3)c1 ZINC001164995494 722211150 /nfs/dbraw/zinc/21/11/50/722211150.db2.gz JDLNFRXLULOFFV-VWLOTQADSA-N 1 1 445.567 5.137 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccnc(CSc4ccccc4)n2)C3)c1 ZINC001164996455 722213031 /nfs/dbraw/zinc/21/30/31/722213031.db2.gz NJNFIYXIOFVUFP-RUZDIDTESA-N 1 1 434.584 5.153 20 0 IKADMO c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CC[C@@]5(CCOC5)C4)c23)c1 ZINC001164388894 718807854 /nfs/dbraw/zinc/80/78/54/718807854.db2.gz DTWRZAJUVAJIOZ-HSZRJFAPSA-N 1 1 440.638 5.023 20 0 IKADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4CCCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164420531 718902830 /nfs/dbraw/zinc/90/28/30/718902830.db2.gz KLMIZBBGIMDDQY-IFMALSPDSA-N 1 1 448.636 5.350 20 0 IKADMO F[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)C[C@H]2C[C@H]21 ZINC001164432449 718964305 /nfs/dbraw/zinc/96/43/05/718964305.db2.gz XPMSYOBXPGMYDS-BFYDXBDKSA-N 1 1 428.602 5.200 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@@H](c4ccnc(C(C)C)n4)O[C@H]3C2)nc1 ZINC001164637452 719262813 /nfs/dbraw/zinc/26/28/13/719262813.db2.gz LDCBZDNYOODZJF-GATIMQMVSA-N 1 1 449.643 5.289 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3C[C@H](c4nc(C5CC5)cs4)O[C@@H]3C2)nc1 ZINC001164645117 719290747 /nfs/dbraw/zinc/29/07/47/719290747.db2.gz CCXHUHFAJQKBLW-MLDBQTBOSA-N 1 1 438.641 5.319 20 0 IKADMO Cc1sc2ncnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)c2c1-c1ccccc1 ZINC001164653625 719315062 /nfs/dbraw/zinc/31/50/62/719315062.db2.gz YIDKBABLFFLNJW-UHFFFAOYSA-N 1 1 446.624 5.068 20 0 IKADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)cc4cc(F)ccc42)CC3)cc1 ZINC001164665777 719493621 /nfs/dbraw/zinc/49/36/21/719493621.db2.gz BIPVQELQPDHMGH-UHFFFAOYSA-N 1 1 443.925 5.038 20 0 IKADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)cc4cc(F)ccc42)CC3)cc1 ZINC001164665777 719493624 /nfs/dbraw/zinc/49/36/24/719493624.db2.gz BIPVQELQPDHMGH-UHFFFAOYSA-N 1 1 443.925 5.038 20 0 IKADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)cc4ccc(F)cc42)CC3)cc1 ZINC001164673638 719501017 /nfs/dbraw/zinc/50/10/17/719501017.db2.gz PZGAEHAJSIKSNX-UHFFFAOYSA-N 1 1 443.925 5.038 20 0 IKADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)cc4ccc(F)cc42)CC3)cc1 ZINC001164673638 719501025 /nfs/dbraw/zinc/50/10/25/719501025.db2.gz PZGAEHAJSIKSNX-UHFFFAOYSA-N 1 1 443.925 5.038 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc4cc(F)ccc42)CC3)cs1 ZINC001164694497 719803119 /nfs/dbraw/zinc/80/31/19/719803119.db2.gz ZHGKNSPOJRIEPZ-UHFFFAOYSA-N 1 1 430.980 5.427 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2ccnc(Cl)c2Cl)CC3)cs1 ZINC001164690903 719804703 /nfs/dbraw/zinc/80/47/03/719804703.db2.gz CICKXSCBZMMULO-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2ccnc(Cl)c2Cl)CC3)cs1 ZINC001164690903 719804704 /nfs/dbraw/zinc/80/47/04/719804704.db2.gz CICKXSCBZMMULO-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)cnc2Cl)CC3)cs1 ZINC001164691785 719804904 /nfs/dbraw/zinc/80/49/04/719804904.db2.gz JYMHJYKSSHAFAG-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cc(Cl)cnc2Cl)CC3)cs1 ZINC001164691785 719804905 /nfs/dbraw/zinc/80/49/05/719804905.db2.gz JYMHJYKSSHAFAG-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc4ccc(F)cc42)CC3)cs1 ZINC001164692081 719806736 /nfs/dbraw/zinc/80/67/36/719806736.db2.gz FQRIQSGKJFPMIJ-UHFFFAOYSA-N 1 1 430.980 5.427 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4ccc(Cl)cc4nc2Cl)CC3)cs1 ZINC001164692991 719807032 /nfs/dbraw/zinc/80/70/32/719807032.db2.gz ONFMMKUECSAAEP-UHFFFAOYSA-N 1 1 448.423 5.337 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc4c(Cl)ccnc42)CC3)cs1 ZINC001164692424 719808467 /nfs/dbraw/zinc/80/84/67/719808467.db2.gz GKIPGFOHYZJEON-UHFFFAOYSA-N 1 1 448.423 5.337 20 0 IKADMO CCCCOc1cnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c(Cl)c1 ZINC001164692672 719812710 /nfs/dbraw/zinc/81/27/10/719812710.db2.gz RAHKBNAXOVZJAT-UHFFFAOYSA-N 1 1 435.037 5.314 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)nc4c2ccn4C(C)C)CC3)cs1 ZINC001164693922 719812851 /nfs/dbraw/zinc/81/28/51/719812851.db2.gz ZHQQIJNOQWTAIB-UHFFFAOYSA-N 1 1 445.036 5.066 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C(C)(C)C)nc(Cl)c2C)CC3)cs1 ZINC001164691302 719813244 /nfs/dbraw/zinc/81/32/44/719813244.db2.gz FFZGDVLVTGQZTC-UHFFFAOYSA-N 1 1 434.053 5.136 20 0 IKADMO CCc1ccc(-c2ccc(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)nn2)cc1 ZINC001164692195 719814798 /nfs/dbraw/zinc/81/47/98/719814798.db2.gz NSUUDRXHPSHWCB-UHFFFAOYSA-N 1 1 433.625 5.106 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nnc(Cl)c4ccc(Cl)cc42)CC3)cs1 ZINC001164692939 719815441 /nfs/dbraw/zinc/81/54/41/719815441.db2.gz SLDCGXBGYOCQCC-UHFFFAOYSA-N 1 1 448.423 5.337 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc4cccc(C)c42)CC3)cs1 ZINC001164697178 719815968 /nfs/dbraw/zinc/81/59/68/719815968.db2.gz AOLQANHKRODBQV-UHFFFAOYSA-N 1 1 427.017 5.597 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)nc4c(F)cccc24)CC3)cs1 ZINC001164700749 719816726 /nfs/dbraw/zinc/81/67/26/719816726.db2.gz MJTHUUPVCUTZCN-UHFFFAOYSA-N 1 1 430.980 5.427 20 0 IKADMO Clc1cc(C2CCCCC2)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164707763 719906309 /nfs/dbraw/zinc/90/63/09/719906309.db2.gz XOPOYCFVFRYCAK-UHFFFAOYSA-N 1 1 447.048 5.111 20 0 IKADMO Clc1cc(C2CCCCC2)nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164707763 719906323 /nfs/dbraw/zinc/90/63/23/719906323.db2.gz XOPOYCFVFRYCAK-UHFFFAOYSA-N 1 1 447.048 5.111 20 0 IKADMO c1ccc(-c2ncc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)nc2-c2ccccc2)cc1 ZINC001164725134 720377251 /nfs/dbraw/zinc/37/72/51/720377251.db2.gz MLSFMSBJMBJZTH-DQEYMECFSA-N 1 1 433.559 5.059 20 0 IKADMO FC1(F)CCN(c2nc(Cl)ccc2C[NH+]2CCCC2)C[C@@]12CCN(c1ccccc1)C2 ZINC001164824420 720395429 /nfs/dbraw/zinc/39/54/29/720395429.db2.gz RKNMKFYTQJJVRH-QHCPKHFHSA-N 1 1 446.973 5.073 20 0 IKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)nc1 ZINC001164829781 720396102 /nfs/dbraw/zinc/39/61/02/720396102.db2.gz OHPOTBUYJMZSNC-ILBGXUMGSA-N 1 1 440.582 5.371 20 0 IKADMO c1ccc(COc2ccc3nc(N4CC[C@@H]5[C@@H]4CC[N@H+]5Cc4cccnc4)ccc3c2)cc1 ZINC001164725881 720399471 /nfs/dbraw/zinc/39/94/71/720399471.db2.gz OAXBBNPNFBDTQL-SXOMAYOGSA-N 1 1 436.559 5.062 20 0 IKADMO Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726961 720400021 /nfs/dbraw/zinc/40/00/21/720400021.db2.gz QACWNDGQVWRLJO-DNQXCXABSA-N 1 1 441.966 5.198 20 0 IKADMO Clc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164735038 720433237 /nfs/dbraw/zinc/43/32/37/720433237.db2.gz VELFFORQVHJBDH-NHCUHLMSSA-N 1 1 447.995 5.260 20 0 IKADMO Clc1ccc2nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc(-c3ccccc3)c2c1 ZINC001164731568 720433472 /nfs/dbraw/zinc/43/34/72/720433472.db2.gz LWZDACWDCVZDOS-BJKOFHAPSA-N 1 1 441.966 5.198 20 0 IKADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164728629 720456862 /nfs/dbraw/zinc/45/68/62/720456862.db2.gz FUIPRQJZINNMAC-PKTZIBPZSA-N 1 1 439.588 5.120 20 0 IKADMO c1ccc(-c2ccc(-c3ccc(N4CC[C@@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)nn3)cc2)cc1 ZINC001164735918 720458046 /nfs/dbraw/zinc/45/80/46/720458046.db2.gz ZLOQGHZIUOMELY-SXOMAYOGSA-N 1 1 433.559 5.059 20 0 IKADMO Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164734763 720462304 /nfs/dbraw/zinc/46/23/04/720462304.db2.gz UFDSKGKPYUPIET-SVBPBHIXSA-N 1 1 447.586 5.367 20 0 IKADMO c1ccc(Oc2ccc(-c3ccc(N4CC[C@H]5[C@@H]4CC[N@@H+]5Cc4cccnc4)nn3)cc2)cc1 ZINC001164724164 720465673 /nfs/dbraw/zinc/46/56/73/720465673.db2.gz DZAJKSIGKCJLJJ-SVBPBHIXSA-N 1 1 449.558 5.184 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)cc3cc(F)ccc31)CC2 ZINC001164838300 720657578 /nfs/dbraw/zinc/65/75/78/720657578.db2.gz HCVGCTVFEAHESD-NRFANRHFSA-N 1 1 439.962 5.287 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc3cc(F)ccc31)CC2 ZINC001164838319 720657747 /nfs/dbraw/zinc/65/77/47/720657747.db2.gz HCVGCTVFEAHESD-OAQYLSRUSA-N 1 1 439.962 5.287 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1c(Cl)cc(Cl)nc1Cl)CC2 ZINC001164843632 720677186 /nfs/dbraw/zinc/67/71/86/720677186.db2.gz WQAPBXGBHIKNBV-INIZCTEOSA-N 1 1 440.802 5.302 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)nc3sccc31)CC2 ZINC001164844913 720680357 /nfs/dbraw/zinc/68/03/57/720680357.db2.gz WHHGILVVSFMMQD-GOSISDBHSA-N 1 1 428.001 5.210 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(Cl)nc3sccc31)CC2 ZINC001164844915 720681418 /nfs/dbraw/zinc/68/14/18/720681418.db2.gz WHHGILVVSFMMQD-SFHVURJKSA-N 1 1 428.001 5.210 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164839607 720693019 /nfs/dbraw/zinc/69/30/19/720693019.db2.gz ALQUJVONMMLORW-MRXNPFEDSA-N 1 1 440.802 5.302 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(-c3cccc(Cl)c3)ncn1)CC2 ZINC001164838301 720715179 /nfs/dbraw/zinc/71/51/79/720715179.db2.gz HWGALWPIYNHDKN-HSZRJFAPSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164842326 720724434 /nfs/dbraw/zinc/72/44/34/720724434.db2.gz YHYJCCMBZNUSRL-FQEVSTJZSA-N 1 1 439.962 5.287 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncnc3scc(-c4cccs4)c31)[C@@H]2C ZINC001164856993 720941000 /nfs/dbraw/zinc/94/10/00/720941000.db2.gz DRHBDKFWKZNMPI-OAHLLOKOSA-N 1 1 438.626 5.038 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)[C@@H]2C ZINC001164862402 720944479 /nfs/dbraw/zinc/94/44/79/720944479.db2.gz VHBAYOKUSMQSAB-SNVBAGLBSA-N 1 1 437.202 5.313 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cccc3ccnc(Cl)c31)[C@H]2C ZINC001164858132 720975936 /nfs/dbraw/zinc/97/59/36/720975936.db2.gz HQMVFBVMNARGSC-HNNXBMFYSA-N 1 1 433.934 5.051 20 0 IKADMO Cc1ccc(-c2nc3ccccc3c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@@H]3C)n2)cc1 ZINC001164862645 720977609 /nfs/dbraw/zinc/97/76/09/720977609.db2.gz TXLZEBRLLVPINN-FQEVSTJZSA-N 1 1 440.595 5.223 20 0 IKADMO Cc1ccc(-c2nc3ccccc3c(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)n2)cc1 ZINC001164862646 720978071 /nfs/dbraw/zinc/97/80/71/720978071.db2.gz TXLZEBRLLVPINN-HXUWFJFHSA-N 1 1 440.595 5.223 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)[C@@H]2C ZINC001164859733 721004130 /nfs/dbraw/zinc/00/41/30/721004130.db2.gz LWQQPETVDYYVSO-GOSISDBHSA-N 1 1 444.558 5.054 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)[C@H]2C ZINC001164857314 721023138 /nfs/dbraw/zinc/02/31/38/721023138.db2.gz CUDWSQRBYMFGPG-HNNXBMFYSA-N 1 1 449.933 5.158 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164793104 721490507 /nfs/dbraw/zinc/49/05/07/721490507.db2.gz NTDLUBSXACNDBZ-UHFFFAOYSA-N 1 1 441.353 5.209 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)CC2 ZINC001164793962 721490756 /nfs/dbraw/zinc/49/07/56/721490756.db2.gz ZIYIQUWZZYHUEI-UHFFFAOYSA-N 1 1 441.353 5.209 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1c[nH]c3nc(Cl)ccc13)CC2 ZINC001164793011 721495168 /nfs/dbraw/zinc/49/51/68/721495168.db2.gz ZBZXNWWBYXGOCE-UHFFFAOYSA-N 1 1 445.945 5.037 20 0 IKADMO Cc1cccc(Sc2cncc(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)n2)c1 ZINC001164796373 721498475 /nfs/dbraw/zinc/49/84/75/721498475.db2.gz SBASHDBWHSRMDL-UHFFFAOYSA-N 1 1 445.636 5.212 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3c(F)ccc(F)c13)CC2 ZINC001164797001 721503725 /nfs/dbraw/zinc/50/37/25/721503725.db2.gz WLVGFVBOYACMAN-UHFFFAOYSA-N 1 1 442.941 5.442 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164794925 721504451 /nfs/dbraw/zinc/50/44/51/721504451.db2.gz GECKMENTECWMBH-UHFFFAOYSA-N 1 1 446.973 5.433 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cc(Cl)nc3c1CCC3)CC2 ZINC001164795792 721504593 /nfs/dbraw/zinc/50/45/93/721504593.db2.gz NDZDOYYFMANQLH-UHFFFAOYSA-N 1 1 446.973 5.045 20 0 IKADMO FC1(F)CCN(c2ccc3cc(Cl)ccc3n2)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906701 721587033 /nfs/dbraw/zinc/58/70/33/721587033.db2.gz OZNUUGODABCFLG-JOCHJYFZSA-N 1 1 428.914 5.021 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3CCC[C@]3(COCc3cncc(C)c3)C2)nc1 ZINC001164804937 721601607 /nfs/dbraw/zinc/60/16/07/721601607.db2.gz YTIYXYJKXLCTDQ-ZRRKCSAHSA-N 1 1 448.655 5.545 20 0 IKADMO Cc1ccc2nc(Cl)cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164906946 721696975 /nfs/dbraw/zinc/69/69/75/721696975.db2.gz PIFUIPTVRANJBB-HSZRJFAPSA-N 1 1 442.941 5.329 20 0 IKADMO FC1(F)CCN(c2nc3ccccc3cc2Cl)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906559 721697971 /nfs/dbraw/zinc/69/79/71/721697971.db2.gz NKCJRLDJQYSIMT-QFIPXVFZSA-N 1 1 428.914 5.021 20 0 IKADMO FC1(F)CCN(c2nccc3cc(Cl)ccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907436 721698525 /nfs/dbraw/zinc/69/85/25/721698525.db2.gz SQKAHSFGYJYTIE-JOCHJYFZSA-N 1 1 428.914 5.021 20 0 IKADMO FC1(F)CCN(c2ccc3c(Cl)cccc3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907112 721703040 /nfs/dbraw/zinc/70/30/40/721703040.db2.gz SDFCPXXJAZTPDW-QFIPXVFZSA-N 1 1 428.914 5.021 20 0 IKADMO FC1(F)CCN(c2nccc3cccc(Cl)c32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907705 721706701 /nfs/dbraw/zinc/70/67/01/721706701.db2.gz SPVDKIRAGHYYLF-JOCHJYFZSA-N 1 1 428.914 5.021 20 0 IKADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908535 721711525 /nfs/dbraw/zinc/71/15/25/721711525.db2.gz XQVLSTAOAICYGJ-HSZRJFAPSA-N 1 1 442.941 5.329 20 0 IKADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164908536 721711797 /nfs/dbraw/zinc/71/17/97/721711797.db2.gz XQVLSTAOAICYGJ-QHCPKHFHSA-N 1 1 442.941 5.329 20 0 IKADMO Cc1ccc(F)c2cc(C)c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc12 ZINC001164906149 721712286 /nfs/dbraw/zinc/71/22/86/721712286.db2.gz KGTAOBUEXXDKBL-DEOSSOPVSA-N 1 1 440.513 5.123 20 0 IKADMO Cc1ccc2cc(Cl)nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908541 721716445 /nfs/dbraw/zinc/71/64/45/721716445.db2.gz XSLZOZSCRREGKI-HSZRJFAPSA-N 1 1 442.941 5.329 20 0 IKADMO CC(C)c1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(C(C)(C)C)n1 ZINC001164913765 721730579 /nfs/dbraw/zinc/73/05/79/721730579.db2.gz XOGTZJOMBXWZIJ-DEOSSOPVSA-N 1 1 443.586 5.030 20 0 IKADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912651 721733902 /nfs/dbraw/zinc/73/39/02/721733902.db2.gz PDFLBBJUZKVBNY-AOMKIAJQSA-N 1 1 449.977 5.085 20 0 IKADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164912656 721734146 /nfs/dbraw/zinc/73/41/46/721734146.db2.gz PDFLBBJUZKVBNY-KSFYIVLOSA-N 1 1 449.977 5.085 20 0 IKADMO Fc1cccc2cc(Cl)nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164910564 721738575 /nfs/dbraw/zinc/73/85/75/721738575.db2.gz GDPKDYPNKCQZLA-QFIPXVFZSA-N 1 1 446.904 5.160 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc3cc(F)ccc31)C2 ZINC001164912268 721742972 /nfs/dbraw/zinc/74/29/72/721742972.db2.gz NLJPJWGOAYXPEV-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc3cc(F)ccc31)C2 ZINC001164912268 721742976 /nfs/dbraw/zinc/74/29/76/721742976.db2.gz NLJPJWGOAYXPEV-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO COc1ccc2c(c1)nc(Cl)cc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910113 721754073 /nfs/dbraw/zinc/75/40/73/721754073.db2.gz MPJAOVCWEUDWFR-UHFFFAOYSA-N 1 1 448.954 5.080 20 0 IKADMO COc1ccc2c(c1)nc(Cl)cc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910113 721754076 /nfs/dbraw/zinc/75/40/76/721754076.db2.gz MPJAOVCWEUDWFR-UHFFFAOYSA-N 1 1 448.954 5.080 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)ncc(Cl)c1Cl)C2 ZINC001164910080 721755127 /nfs/dbraw/zinc/75/51/27/721755127.db2.gz LBQGJFUZQHRHDX-UHFFFAOYSA-N 1 1 437.758 5.225 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)ncc(Cl)c1Cl)C2 ZINC001164910080 721755129 /nfs/dbraw/zinc/75/51/29/721755129.db2.gz LBQGJFUZQHRHDX-UHFFFAOYSA-N 1 1 437.758 5.225 20 0 IKADMO Cc1cccc2cc(Cl)nc(N3CCc4c(C[N@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164910491 721764990 /nfs/dbraw/zinc/76/49/90/721764990.db2.gz GTRJSCXVYRDWBV-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO Cc1cccc2cc(Cl)nc(N3CCc4c(C[N@@H+](C)Cc5ccco5)cncc4C3)c12 ZINC001164910491 721764993 /nfs/dbraw/zinc/76/49/93/721764993.db2.gz GTRJSCXVYRDWBV-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO COc1cc2cnc(Cl)cc2cc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164912522 721766540 /nfs/dbraw/zinc/76/65/40/721766540.db2.gz YPZSBGBHUDUSOR-UHFFFAOYSA-N 1 1 448.954 5.080 20 0 IKADMO COc1cc2cnc(Cl)cc2cc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164912522 721766544 /nfs/dbraw/zinc/76/65/44/721766544.db2.gz YPZSBGBHUDUSOR-UHFFFAOYSA-N 1 1 448.954 5.080 20 0 IKADMO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)nc1 ZINC001165014193 721768429 /nfs/dbraw/zinc/76/84/29/721768429.db2.gz DZLMWZVVJVTJJG-DEOSSOPVSA-N 1 1 441.579 5.530 20 0 IKADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)nc1 ZINC001165014193 721768432 /nfs/dbraw/zinc/76/84/32/721768432.db2.gz DZLMWZVVJVTJJG-DEOSSOPVSA-N 1 1 441.579 5.530 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4ccc(Cl)cc43)C[C@H]21 ZINC001165018684 721799737 /nfs/dbraw/zinc/79/97/37/721799737.db2.gz BXBWTRVTZHCWSO-NYSBEXSLSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@@H]21 ZINC001165024624 721802517 /nfs/dbraw/zinc/80/25/17/721802517.db2.gz MNPOZZUSLXGAKI-DKSSEZFCSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@@H]21 ZINC001165026917 721802853 /nfs/dbraw/zinc/80/28/53/721802853.db2.gz SKNZGWCUMXRPNM-SIXWZSSISA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc4nc(Cl)cnc4cc3Cl)C[C@@H]21 ZINC001165022773 721809784 /nfs/dbraw/zinc/80/97/84/721809784.db2.gz HDXJEIDEUYPNGR-LDBYXDLTSA-N 1 1 442.394 5.069 20 0 IKADMO COc1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c2cc(Cl)ccc12 ZINC001165027433 721812212 /nfs/dbraw/zinc/81/22/12/721812212.db2.gz USEOUZFEUUJLQO-JJEOQYAHSA-N 1 1 436.987 5.029 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)ncc(Cl)c3Cl)C[C@H]21 ZINC001165024922 721813662 /nfs/dbraw/zinc/81/36/62/721813662.db2.gz LIIQPVJOBLOULJ-FRFSOERESA-N 1 1 425.791 5.174 20 0 IKADMO COc1ccc2c(cc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165019798 721818297 /nfs/dbraw/zinc/81/82/97/721818297.db2.gz BWGFFKYXPNPJHG-JJEOQYAHSA-N 1 1 436.987 5.029 20 0 IKADMO COc1ccc2c(cc(Cl)nc2N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165019793 721818582 /nfs/dbraw/zinc/81/85/82/721818582.db2.gz BWGFFKYXPNPJHG-IMRHEYAYSA-N 1 1 436.987 5.029 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(SCc4ccccc4)ccn3)C[C@H]21 ZINC001165021364 721826211 /nfs/dbraw/zinc/82/62/11/721826211.db2.gz FEQRDPDPTCEZJZ-DNRSQYFGSA-N 1 1 444.648 5.506 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@@H]21 ZINC001165023173 721832256 /nfs/dbraw/zinc/83/22/56/721832256.db2.gz IGINWOLMJHOEFI-BULFRSBZSA-N 1 1 446.973 5.289 20 0 IKADMO COc1cc2cnc(Cl)cc2cc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027047 721832629 /nfs/dbraw/zinc/83/26/29/721832629.db2.gz RGXKUSFVYKLDJY-BULFRSBZSA-N 1 1 436.987 5.029 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4c(n(C)nc4-c4ccccc4)C[C@@H]3C2)nc1 ZINC001164951025 722005538 /nfs/dbraw/zinc/00/55/38/722005538.db2.gz FZZRSDDPHXYQRL-WXFUMESZSA-N 1 1 441.623 5.195 20 0 IKADMO Clc1nc(Cl)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c(Cl)c1Cl ZINC001164952951 722015157 /nfs/dbraw/zinc/01/51/57/722015157.db2.gz PLYBUWJMZYVWOB-UHFFFAOYSA-N 1 1 446.209 5.583 20 0 IKADMO FC(F)(c1cc2ccccc2nc1Cl)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955634 722020225 /nfs/dbraw/zinc/02/02/25/722020225.db2.gz LILSUCUULXVBQF-UHFFFAOYSA-N 1 1 442.941 5.321 20 0 IKADMO Clc1ccc(Cl)c2nc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)ccc12 ZINC001164957948 722024283 /nfs/dbraw/zinc/02/42/83/722024283.db2.gz CHGSOYWAISOKQD-UHFFFAOYSA-N 1 1 427.379 5.429 20 0 IKADMO Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164962083 722024648 /nfs/dbraw/zinc/02/46/48/722024648.db2.gz PFNHZIKQTYBFQV-UHFFFAOYSA-N 1 1 449.986 5.118 20 0 IKADMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CN(C(C)=O)c4ccc(C)cc43)CC2)nc1 ZINC001164988324 722189852 /nfs/dbraw/zinc/18/98/52/722189852.db2.gz GDGZWZPYJPHMOK-VWLOTQADSA-N 1 1 446.639 5.232 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nccc(-c4c[nH]c5ccccc45)n2)C3)c1 ZINC001164995280 722198892 /nfs/dbraw/zinc/19/88/92/722198892.db2.gz TWCFZFFCTUINAX-AREMUKBSSA-N 1 1 427.527 5.009 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nccc(-c4c[nH]c5ccccc45)n2)C3)c1 ZINC001164995282 722199139 /nfs/dbraw/zinc/19/91/39/722199139.db2.gz TWCFZFFCTUINAX-SANMLTNESA-N 1 1 427.527 5.009 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(F)ccc2-c2ccc(Cl)nn2)C3)c1 ZINC001164994036 722209911 /nfs/dbraw/zinc/20/99/11/722209911.db2.gz DLSMYWCFQPYLNT-XMMPIXPASA-N 1 1 440.925 5.320 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(-c4ccncc4)nc4sccc42)C3)c1 ZINC001164995021 722211703 /nfs/dbraw/zinc/21/17/03/722211703.db2.gz FKVSYSMTVKXTOZ-VWLOTQADSA-N 1 1 445.567 5.137 20 0 IKADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(C(F)F)nc4ccc(F)cc42)C3)c1 ZINC001164997535 722212010 /nfs/dbraw/zinc/21/20/10/722212010.db2.gz RNRWIZGSOUPLQU-QHCPKHFHSA-N 1 1 430.449 5.091 20 0 IKADMO COc1cc(CCc2ccc(C3=Cc4ccccc4C4=[NH+]CCN43)cc2)cc(OC)c1OC ZINC000000596647 562918453 /nfs/dbraw/zinc/91/84/53/562918453.db2.gz FKRBSORUVOGNEK-UHFFFAOYSA-N 1 1 440.543 5.072 20 0 in-vivo IKADMO c1ccc(CCC[N@H+]2CCCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022440744 563025429 /nfs/dbraw/zinc/02/54/29/563025429.db2.gz IRSSQYPVPPWBSQ-UHFFFAOYSA-N 1 1 428.620 5.433 20 0 IKADMO c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CC[C@]5(CCOC5)C4)c23)c1 ZINC001164388896 718807767 /nfs/dbraw/zinc/80/77/67/718807767.db2.gz DTWRZAJUVAJIOZ-QHCPKHFHSA-N 1 1 440.638 5.023 20 0 IKADMO FC1(F)C[C@@H]2CN(c3nc(C[NH+]4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164409682 718870432 /nfs/dbraw/zinc/87/04/32/718870432.db2.gz SHUNTZQHHWISJN-IEBWSBKVSA-N 1 1 440.563 5.436 20 0 IKADMO c1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4CCCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164420534 718902518 /nfs/dbraw/zinc/90/25/18/718902518.db2.gz KLMIZBBGIMDDQY-UNMCSNQZSA-N 1 1 448.636 5.350 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@H](c4ccnc(C(C)C)n4)O[C@@H]3C2)nc1 ZINC001164637459 719263024 /nfs/dbraw/zinc/26/30/24/719263024.db2.gz LDCBZDNYOODZJF-KMRPREKFSA-N 1 1 449.643 5.289 20 0 IKADMO Cc1ccc(-c2nc3ccccc3c(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)n2)cc1 ZINC001164648898 719313165 /nfs/dbraw/zinc/31/31/65/719313165.db2.gz MSVVMZKLKWBAGG-UHFFFAOYSA-N 1 1 440.595 5.007 20 0 IKADMO Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cc(F)cc4ccc(Cl)nc42)CC3)cc1 ZINC001164674555 719508910 /nfs/dbraw/zinc/50/89/10/719508910.db2.gz ZTSQPFZGMRTQIZ-UHFFFAOYSA-N 1 1 443.925 5.038 20 0 IKADMO Fc1ccc(C[N@H+]2CCOCC23CCN(c2cc(F)cc4ccc(Cl)nc42)CC3)cc1 ZINC001164674555 719508915 /nfs/dbraw/zinc/50/89/15/719508915.db2.gz ZTSQPFZGMRTQIZ-UHFFFAOYSA-N 1 1 443.925 5.038 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)nc4ccc(Cl)cc42)CC3)cs1 ZINC001164691139 719803313 /nfs/dbraw/zinc/80/33/13/719803313.db2.gz DTQGWCMUHQJGQE-UHFFFAOYSA-N 1 1 448.423 5.337 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nccc(-c4c[nH]c5ccccc45)n2)CC3)cs1 ZINC001164692437 719808474 /nfs/dbraw/zinc/80/84/74/719808474.db2.gz GTSGCUUHVNXKLB-UHFFFAOYSA-N 1 1 444.608 5.025 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C)nc4sc(C)c(C)c42)CC3)cs1 ZINC001164694081 719808519 /nfs/dbraw/zinc/80/85/19/719808519.db2.gz UOLZIULDTVGBOB-UHFFFAOYSA-N 1 1 427.643 5.016 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2ccc(Cl)c(Cl)n2)CC3)cs1 ZINC001164692425 719808636 /nfs/dbraw/zinc/80/86/36/719808636.db2.gz GKOOXZGHOCQLIQ-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2ccc(Cl)c(Cl)n2)CC3)cs1 ZINC001164692425 719808637 /nfs/dbraw/zinc/80/86/37/719808637.db2.gz GKOOXZGHOCQLIQ-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO COc1cnc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c2cc(Cl)ccc12 ZINC001164692558 719808973 /nfs/dbraw/zinc/80/89/73/719808973.db2.gz JGKGGFZBWGALGC-UHFFFAOYSA-N 1 1 443.016 5.297 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4cc(C)c(C)cc4nc2Cl)CC3)cs1 ZINC001164691993 719811152 /nfs/dbraw/zinc/81/11/52/719811152.db2.gz DSOXOKZKXHSADF-UHFFFAOYSA-N 1 1 442.032 5.300 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc4ccc(Cl)c(C)c4n2)CC3)cs1 ZINC001164693536 719812139 /nfs/dbraw/zinc/81/21/39/719812139.db2.gz WEGYVDUMSBUDHJ-UHFFFAOYSA-N 1 1 427.017 5.597 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C(C)C)nc(C(C)(C)C)n2)CC3)cs1 ZINC001164694042 719815159 /nfs/dbraw/zinc/81/51/59/719815159.db2.gz ZXRUSOMKFCPCOV-UHFFFAOYSA-N 1 1 427.662 5.297 20 0 IKADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164704511 719815748 /nfs/dbraw/zinc/81/57/48/719815748.db2.gz YYYRCJHKGKYACO-HNNXBMFYSA-N 1 1 434.053 5.352 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C(F)F)nc4ccc(F)cc42)CC3)cs1 ZINC001164692964 719815867 /nfs/dbraw/zinc/81/58/67/719815867.db2.gz STFBUWQKVNNXTF-UHFFFAOYSA-N 1 1 447.530 5.106 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(C4CCC4)nc(Cl)c2C)CC3)cs1 ZINC001164700227 719816389 /nfs/dbraw/zinc/81/63/89/719816389.db2.gz JZBGEEYEVUHLSI-UHFFFAOYSA-N 1 1 432.037 5.106 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)nc4c(F)ccc(F)c24)CC3)cs1 ZINC001164702562 719816564 /nfs/dbraw/zinc/81/65/64/719816564.db2.gz RVVXYUHXVPSSJV-UHFFFAOYSA-N 1 1 448.970 5.566 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)Sc2ccc(Cl)nc2)CC3)cs1 ZINC001164703248 719816599 /nfs/dbraw/zinc/81/65/99/719816599.db2.gz UZTPKBXSLBBQQD-UHFFFAOYSA-N 1 1 445.004 5.273 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)Sc2ccc(Cl)nc2)CC3)cs1 ZINC001164703248 719816603 /nfs/dbraw/zinc/81/66/03/719816603.db2.gz UZTPKBXSLBBQQD-UHFFFAOYSA-N 1 1 445.004 5.273 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2c(Cl)ccc4c(Cl)ncnc42)CC3)cs1 ZINC001164700238 719817309 /nfs/dbraw/zinc/81/73/09/719817309.db2.gz KFLFHIJQGQEITA-UHFFFAOYSA-N 1 1 448.423 5.337 20 0 IKADMO Cc1ccc2cc(Cl)nc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164699054 719895622 /nfs/dbraw/zinc/89/56/22/719895622.db2.gz WINIPAYSKXFLNH-UHFFFAOYSA-N 1 1 428.001 5.130 20 0 IKADMO Cc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697569 719896148 /nfs/dbraw/zinc/89/61/48/719896148.db2.gz LBRAJLIHNMWCTL-UHFFFAOYSA-N 1 1 428.001 5.130 20 0 IKADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)c3ccc(C)c(C)c3n1)CC2 ZINC001164712126 720144471 /nfs/dbraw/zinc/14/44/71/720144471.db2.gz KNTGAQXCGABJGW-DEOSSOPVSA-N 1 1 444.623 5.063 20 0 IKADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(-c3ccccc3)c3ccccc3n1)C2 ZINC001164817786 720162864 /nfs/dbraw/zinc/16/28/64/720162864.db2.gz QFPOXCGRHWVXNJ-NEKDWFFYSA-N 1 1 427.592 5.087 20 0 IKADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729867 720355682 /nfs/dbraw/zinc/35/56/82/720355682.db2.gz YQTJKHOOBVCMCF-FGZHOGPDSA-N 1 1 440.925 5.195 20 0 IKADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729867 720355685 /nfs/dbraw/zinc/35/56/85/720355685.db2.gz YQTJKHOOBVCMCF-FGZHOGPDSA-N 1 1 440.925 5.195 20 0 IKADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164725215 720359338 /nfs/dbraw/zinc/35/93/38/720359338.db2.gz MPOUPUIVZYHVTE-SXOMAYOGSA-N 1 1 433.559 5.059 20 0 IKADMO Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164725449 720398986 /nfs/dbraw/zinc/39/89/86/720398986.db2.gz NMMIEXVHYABDSX-DNQXCXABSA-N 1 1 441.966 5.198 20 0 IKADMO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164731900 720415550 /nfs/dbraw/zinc/41/55/50/720415550.db2.gz MJVYYGGAJXDZGJ-PMACEKPBSA-N 1 1 447.995 5.260 20 0 IKADMO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c3ccccc32)cc1C ZINC001164725732 720436000 /nfs/dbraw/zinc/43/60/00/720436000.db2.gz AWUNSLATIYUOBH-CLJLJLNGSA-N 1 1 435.575 5.162 20 0 IKADMO Cc1ccc(-c2nnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c3ccccc32)cc1C ZINC001164725739 720437000 /nfs/dbraw/zinc/43/70/00/720437000.db2.gz AWUNSLATIYUOBH-IZZNHLLZSA-N 1 1 435.575 5.162 20 0 IKADMO COc1ccc2c(c1)nc(N1CC[C@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)cc2-c1ccccc1 ZINC001164727825 720439415 /nfs/dbraw/zinc/43/94/15/720439415.db2.gz FCIYPNXPSKHYCN-SVBPBHIXSA-N 1 1 436.559 5.159 20 0 IKADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732842 720439747 /nfs/dbraw/zinc/43/97/47/720439747.db2.gz OOKCVSGTCCBCJQ-RTBURBONSA-N 1 1 447.633 5.285 20 0 IKADMO Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1C ZINC001164732840 720440228 /nfs/dbraw/zinc/44/02/28/720440228.db2.gz OOKCVSGTCCBCJQ-OALUTQOASA-N 1 1 447.633 5.285 20 0 IKADMO COc1ccc2c(c1)nc(N1CC[C@@H]3[C@H]1CC[N@H+]3Cc1cccnc1)cc2-c1ccccc1 ZINC001164727794 720440488 /nfs/dbraw/zinc/44/04/88/720440488.db2.gz FCIYPNXPSKHYCN-KAYWLYCHSA-N 1 1 436.559 5.159 20 0 IKADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164728593 720455801 /nfs/dbraw/zinc/45/58/01/720455801.db2.gz FUIPRQJZINNMAC-DHIUTWEWSA-N 1 1 439.588 5.120 20 0 IKADMO c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)n2)c1 ZINC001164728624 720456791 /nfs/dbraw/zinc/45/67/91/720456791.db2.gz FUIPRQJZINNMAC-GOTSBHOMSA-N 1 1 439.588 5.120 20 0 IKADMO Cc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164734762 720461540 /nfs/dbraw/zinc/46/15/40/720461540.db2.gz UFDSKGKPYUPIET-RRPNLBNLSA-N 1 1 447.586 5.367 20 0 IKADMO c1cncc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 ZINC001164722924 720467166 /nfs/dbraw/zinc/46/71/66/720467166.db2.gz BGJZSZLWGYZVCG-KAYWLYCHSA-N 1 1 439.607 5.440 20 0 IKADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728926 720487673 /nfs/dbraw/zinc/48/76/73/720487673.db2.gz PORGCHNDYQPNFU-RTBURBONSA-N 1 1 446.954 5.257 20 0 IKADMO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728926 720487679 /nfs/dbraw/zinc/48/76/79/720487679.db2.gz PORGCHNDYQPNFU-RTBURBONSA-N 1 1 446.954 5.257 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164843742 720674439 /nfs/dbraw/zinc/67/44/39/720674439.db2.gz XLEBSTUIDRWFBD-HSZRJFAPSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164843210 720675960 /nfs/dbraw/zinc/67/59/60/720675960.db2.gz VJBAONZMMJUREI-OAQYLSRUSA-N 1 1 439.962 5.287 20 0 IKADMO Cc1ccc(C)c(-c2ccc(N3CCC4(C[C@@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164840319 720716247 /nfs/dbraw/zinc/71/62/47/720716247.db2.gz PDUAQQMMWMMPFC-XMMPIXPASA-N 1 1 442.607 5.020 20 0 IKADMO Cc1ccc(C)c(-c2ccc(N3CCC4(C[C@H]([N@@H+](C)Cc5ccccc5)CO4)CC3)nn2)c1 ZINC001164840318 720716894 /nfs/dbraw/zinc/71/68/94/720716894.db2.gz PDUAQQMMWMMPFC-DEOSSOPVSA-N 1 1 442.607 5.020 20 0 IKADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164857242 720979006 /nfs/dbraw/zinc/97/90/06/720979006.db2.gz FEKDNQQMUQJPRG-AWEZNQCLSA-N 1 1 448.398 5.168 20 0 IKADMO Cc1sc2ncnc(N3CCn4c(C[N@H+](C)C(C)C)cnc4[C@H]3C)c2c1-c1ccccc1 ZINC001164863470 721002668 /nfs/dbraw/zinc/00/26/68/721002668.db2.gz VREVCHQBEWOARA-QGZVFWFLSA-N 1 1 446.624 5.285 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)CC2 ZINC001164791627 721490434 /nfs/dbraw/zinc/49/04/34/721490434.db2.gz CXGUKLRGROKBTQ-UHFFFAOYSA-N 1 1 441.353 5.209 20 0 IKADMO C[C@H]1CCc2c(sc3ncnc(N4CCC5(CC([N@@H+](C)Cc6ccncc6)C5)CC4)c23)C1 ZINC001164792550 721494589 /nfs/dbraw/zinc/49/45/89/721494589.db2.gz QPGLOLPNOVTCAA-SFHVURJKSA-N 1 1 447.652 5.092 20 0 IKADMO CCCCOc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(Cl)c1 ZINC001164795942 721499146 /nfs/dbraw/zinc/49/91/46/721499146.db2.gz NSHNYSACPMFCFB-UHFFFAOYSA-N 1 1 429.008 5.190 20 0 IKADMO Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795365 721499934 /nfs/dbraw/zinc/49/99/34/721499934.db2.gz GDXSPIWKBFJMAD-UHFFFAOYSA-N 1 1 428.024 5.012 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3c(Cl)cccc3nc1Cl)CC2 ZINC001164797016 721503393 /nfs/dbraw/zinc/50/33/93/721503393.db2.gz WZKCOGUSIXIEQQ-UHFFFAOYSA-N 1 1 442.394 5.213 20 0 IKADMO FC1(F)CCN(c2cc(Cl)nc3ccccc32)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905176 721583412 /nfs/dbraw/zinc/58/34/12/721583412.db2.gz UFCJHGMCCNQPSB-JOCHJYFZSA-N 1 1 428.914 5.021 20 0 IKADMO FC1(F)CCN(c2ccc3cc(Cl)ccc3n2)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164906702 721587130 /nfs/dbraw/zinc/58/71/30/721587130.db2.gz OZNUUGODABCFLG-QFIPXVFZSA-N 1 1 428.914 5.021 20 0 IKADMO FC1(F)CCN(c2c(Cl)cc(Cl)nc2Cl)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164905342 721693816 /nfs/dbraw/zinc/69/38/16/721693816.db2.gz IPIIRWLPMYXKNO-SFHVURJKSA-N 1 1 447.744 5.175 20 0 IKADMO Fc1ccc2nc(Cl)cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904800 721695457 /nfs/dbraw/zinc/69/54/57/721695457.db2.gz GNZWROMBOPPYLY-QFIPXVFZSA-N 1 1 446.904 5.160 20 0 IKADMO Fc1ccc2nc(Cl)cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164904797 721695984 /nfs/dbraw/zinc/69/59/84/721695984.db2.gz GNZWROMBOPPYLY-JOCHJYFZSA-N 1 1 446.904 5.160 20 0 IKADMO CC(C)c1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(C(C)(C)C)n1 ZINC001164913766 721730298 /nfs/dbraw/zinc/73/02/98/721730298.db2.gz XOGTZJOMBXWZIJ-XMMPIXPASA-N 1 1 443.586 5.030 20 0 IKADMO Fc1cc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1Cl ZINC001164911626 721733504 /nfs/dbraw/zinc/73/35/04/721733504.db2.gz JTAWYZQLQJDIBQ-JOCHJYFZSA-N 1 1 446.904 5.160 20 0 IKADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910111 721756417 /nfs/dbraw/zinc/75/64/17/721756417.db2.gz MOJANORLBVFYSB-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910111 721756420 /nfs/dbraw/zinc/75/64/20/721756420.db2.gz MOJANORLBVFYSB-UHFFFAOYSA-N 1 1 432.955 5.379 20 0 IKADMO Cc1nc(C2CCCCC2)cc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909507 721759689 /nfs/dbraw/zinc/75/96/89/721759689.db2.gz GDIORAQZAOBDHL-UHFFFAOYSA-N 1 1 431.584 5.015 20 0 IKADMO Cc1nc(C2CCCCC2)cc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164909507 721759696 /nfs/dbraw/zinc/75/96/96/721759696.db2.gz GDIORAQZAOBDHL-UHFFFAOYSA-N 1 1 431.584 5.015 20 0 IKADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911578 721764880 /nfs/dbraw/zinc/76/48/80/721764880.db2.gz PPKXIFDZRQKHHP-INIZCTEOSA-N 1 1 439.991 5.135 20 0 IKADMO CC[C@H](C)c1nc(Cl)c(C)c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164911578 721764887 /nfs/dbraw/zinc/76/48/87/721764887.db2.gz PPKXIFDZRQKHHP-INIZCTEOSA-N 1 1 439.991 5.135 20 0 IKADMO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)nc1 ZINC001165014199 721768481 /nfs/dbraw/zinc/76/84/81/721768481.db2.gz DZLMWZVVJVTJJG-XMMPIXPASA-N 1 1 441.579 5.530 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)nc1 ZINC001165014199 721768484 /nfs/dbraw/zinc/76/84/84/721768484.db2.gz DZLMWZVVJVTJJG-XMMPIXPASA-N 1 1 441.579 5.530 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@@H]21 ZINC001165026918 721802634 /nfs/dbraw/zinc/80/26/34/721802634.db2.gz SKNZGWCUMXRPNM-URLQWDBASA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@H]21 ZINC001165026916 721802783 /nfs/dbraw/zinc/80/27/83/721802783.db2.gz SKNZGWCUMXRPNM-IDHHARJASA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccc(Cl)cc4nc3Cl)C[C@@H]21 ZINC001165022278 721808221 /nfs/dbraw/zinc/80/82/21/721808221.db2.gz ILJJIYXYECYGRI-FYINFDKHSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccc(Cl)cc4nc3Cl)C[C@@H]21 ZINC001165022285 721808382 /nfs/dbraw/zinc/80/83/82/721808382.db2.gz ILJJIYXYECYGRI-UQASEVPWSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@H]21 ZINC001165025975 721811626 /nfs/dbraw/zinc/81/16/26/721811626.db2.gz OOWAVGRPHSMBLA-YXJHDRRASA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4cccc(Cl)c43)C[C@@H]21 ZINC001165022787 721811960 /nfs/dbraw/zinc/81/19/60/721811960.db2.gz HDYRABVXOMTEOU-RIFZZMRRSA-N 1 1 442.394 5.069 20 0 IKADMO COc1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c2cc(Cl)ccc12 ZINC001165027435 721812358 /nfs/dbraw/zinc/81/23/58/721812358.db2.gz USEOUZFEUUJLQO-PDIWNELESA-N 1 1 436.987 5.029 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3c(Cl)ncc(Cl)c3Cl)C[C@@H]21 ZINC001165024924 721813538 /nfs/dbraw/zinc/81/35/38/721813538.db2.gz LIIQPVJOBLOULJ-UKPHBRMFSA-N 1 1 425.791 5.174 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4cccc5ccccc54)nn3)C[C@H]21 ZINC001165028375 721827147 /nfs/dbraw/zinc/82/71/47/721827147.db2.gz VPTZDRNTOJSBLN-QBMXVRPASA-N 1 1 449.602 5.429 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(-c4cccc5ccccc54)nn3)C[C@@H]21 ZINC001165028373 721827305 /nfs/dbraw/zinc/82/73/05/721827305.db2.gz VPTZDRNTOJSBLN-CVTPTMSISA-N 1 1 449.602 5.429 20 0 IKADMO c1cncc([C@H]2CCCCN2c2nc(C[NH+]3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001165046401 721963558 /nfs/dbraw/zinc/96/35/58/721963558.db2.gz LDWWNOANFOHZDI-HXUWFJFHSA-N 1 1 433.625 5.293 20 0 IKADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3CCC(c4nc5ccccc5s4)CC3)C2)cc1 ZINC001165051676 721989065 /nfs/dbraw/zinc/98/90/65/721989065.db2.gz UGGFPMBSPCYKCO-UHFFFAOYSA-N 1 1 441.604 5.029 20 0 IKADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3CCC(c4nc5ccccc5s4)CC3)C2)cc1 ZINC001165051676 721989066 /nfs/dbraw/zinc/98/90/66/721989066.db2.gz UGGFPMBSPCYKCO-UHFFFAOYSA-N 1 1 441.604 5.029 20 0 IKADMO Cc1ccc(-c2nnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c3ccccc32)cc1 ZINC001164956212 722021848 /nfs/dbraw/zinc/02/18/48/722021848.db2.gz YHGNFQFYFFQYPE-UHFFFAOYSA-N 1 1 449.602 5.493 20 0 IKADMO c1ccc(CSc2ccnc(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c2)cc1 ZINC001164955882 722023025 /nfs/dbraw/zinc/02/30/25/722023025.db2.gz QRKDZRGOLXQBIK-UHFFFAOYSA-N 1 1 430.621 5.261 20 0 IKADMO Cc1nc(-c2ccccc2Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1C ZINC001164963452 722023675 /nfs/dbraw/zinc/02/36/75/722023675.db2.gz UJNWYRBKXFYMSV-UHFFFAOYSA-N 1 1 448.014 5.301 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(-c4cccnc4)nc4ccccc42)C3)c1 ZINC001164994421 722207905 /nfs/dbraw/zinc/20/79/05/722207905.db2.gz GOHYYXZFFSHJGY-HHHXNRCGSA-N 1 1 439.538 5.076 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2cc(-c4ccc(Cl)nn4)ccc2F)C3)c1 ZINC001164997280 722209806 /nfs/dbraw/zinc/20/98/06/722209806.db2.gz YHGREDGOOALYSL-XMMPIXPASA-N 1 1 440.925 5.320 20 0 IKADMO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2nc(C(F)F)nc4ccc(Cl)cc42)C3)c1 ZINC001164996938 722212227 /nfs/dbraw/zinc/21/22/27/722212227.db2.gz OSEDADCYLBITKZ-QHCPKHFHSA-N 1 1 446.904 5.605 20 0 IKADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2nc(C(F)F)nc4ccc(F)cc42)C3)c1 ZINC001164997533 722212387 /nfs/dbraw/zinc/21/23/87/722212387.db2.gz RNRWIZGSOUPLQU-HSZRJFAPSA-N 1 1 430.449 5.091 20 0 IKADMO c1csc(-c2csc3nc(C[NH+]4CCCCC4)nc(N4CC5(C4)CCCOC5)c23)c1 ZINC001164414321 718883049 /nfs/dbraw/zinc/88/30/49/718883049.db2.gz RKPGCFLEOXNEST-UHFFFAOYSA-N 1 1 440.638 5.023 20 0 IKADMO F[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)C[C@@H]2C[C@@H]21 ZINC001164432451 718964524 /nfs/dbraw/zinc/96/45/24/718964524.db2.gz XPMSYOBXPGMYDS-YQQAZPJKSA-N 1 1 428.602 5.200 20 0 IKADMO Cc1[nH+]cc2n1CCN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)C2 ZINC001164448041 718991571 /nfs/dbraw/zinc/99/15/71/718991571.db2.gz GIAHQOFWDQVAFX-UHFFFAOYSA-N 1 1 425.870 5.020 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]3C[C@H](c4ccnc(C(C)C)n4)O[C@H]3C2)nc1 ZINC001164637456 719263003 /nfs/dbraw/zinc/26/30/03/719263003.db2.gz LDCBZDNYOODZJF-HVHOJJEHSA-N 1 1 449.643 5.289 20 0 IKADMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3O[C@@H](c4nc(C5CC5)cs4)C[C@H]3C2)nc1 ZINC001164645115 719290894 /nfs/dbraw/zinc/29/08/94/719290894.db2.gz CCXHUHFAJQKBLW-IZBOUPIGSA-N 1 1 438.641 5.319 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncnc4sc(C(C)C)cc42)CC3)cs1 ZINC001164692670 719803353 /nfs/dbraw/zinc/80/33/53/719803353.db2.gz OMOANZFQQDKNMA-UHFFFAOYSA-N 1 1 427.643 5.215 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)cc2Cl)CC3)cs1 ZINC001164691177 719804807 /nfs/dbraw/zinc/80/48/07/719804807.db2.gz FCIAPWHKXKWOAT-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(C(F)(F)c2cnc(Cl)cc2Cl)CC3)cs1 ZINC001164691177 719804810 /nfs/dbraw/zinc/80/48/10/719804810.db2.gz FCIAPWHKXKWOAT-UHFFFAOYSA-N 1 1 447.382 5.333 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4cc(C(C)(C)C)sc42)CC3)cs1 ZINC001164691471 719806154 /nfs/dbraw/zinc/80/61/54/719806154.db2.gz HWIUFBBYRSQJDS-UHFFFAOYSA-N 1 1 441.670 5.389 20 0 IKADMO Cc1cc2c(nc(Cl)nc2N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)s1 ZINC001164692878 719806718 /nfs/dbraw/zinc/80/67/18/719806718.db2.gz NKIOKRPJTNQXQB-UHFFFAOYSA-N 1 1 434.034 5.053 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(Cl)nc4ccc(C)cc42)CC3)cs1 ZINC001164692456 719806877 /nfs/dbraw/zinc/80/68/77/719806877.db2.gz HMIVZIKWLWLDPV-UHFFFAOYSA-N 1 1 427.017 5.597 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc(Cl)cc4cc(C)ccc42)CC3)cs1 ZINC001164693590 719812114 /nfs/dbraw/zinc/81/21/14/719812114.db2.gz WVVJYHJRDLLVIU-UHFFFAOYSA-N 1 1 427.017 5.597 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc(-c4cccc(Cl)c4)nn2)CC3)cs1 ZINC001164692063 719814032 /nfs/dbraw/zinc/81/40/32/719814032.db2.gz LCVSECZTQOVQIW-UHFFFAOYSA-N 1 1 440.016 5.197 20 0 IKADMO CCN(c1ccccc1)c1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)ncn1 ZINC001164691744 719815019 /nfs/dbraw/zinc/81/50/19/719815019.db2.gz KKQQCLJNOYZFJO-UHFFFAOYSA-N 1 1 448.640 5.035 20 0 IKADMO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(CC(C)C)nc(Cl)c2C)CC3)cs1 ZINC001164702702 719815685 /nfs/dbraw/zinc/81/56/85/719815685.db2.gz SZIIWZRPVVANHZ-UHFFFAOYSA-N 1 1 434.053 5.037 20 0 IKADMO Cc1nc(C[N@H+]2CCCC23CCN(c2nc4c(Cl)cccc4nc2Cl)CC3)cs1 ZINC001164698531 719815808 /nfs/dbraw/zinc/81/58/08/719815808.db2.gz DNEDFEOCSJAHEE-UHFFFAOYSA-N 1 1 448.423 5.337 20 0 IKADMO Cc1ccc2nc(Cl)cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c2c1 ZINC001164696119 719890486 /nfs/dbraw/zinc/89/04/86/719890486.db2.gz YCIBFLFXYNYPTF-UHFFFAOYSA-N 1 1 428.001 5.130 20 0 IKADMO Cc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164698419 719894109 /nfs/dbraw/zinc/89/41/09/719894109.db2.gz SPTHLYMVZLNITN-UHFFFAOYSA-N 1 1 428.001 5.130 20 0 IKADMO Cc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc2cc(Cl)ccc12 ZINC001164698235 719895352 /nfs/dbraw/zinc/89/53/52/719895352.db2.gz QBROERVMWOSQLM-UHFFFAOYSA-N 1 1 428.001 5.130 20 0 IKADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(-c3ccccc3)c3ccccc3n1)C2 ZINC001164817776 720162637 /nfs/dbraw/zinc/16/26/37/720162637.db2.gz QFPOXCGRHWVXNJ-FIPFOOKPSA-N 1 1 427.592 5.087 20 0 IKADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164729869 720355615 /nfs/dbraw/zinc/35/56/15/720355615.db2.gz YQTJKHOOBVCMCF-VXKWHMMOSA-N 1 1 440.925 5.195 20 0 IKADMO FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164729869 720355620 /nfs/dbraw/zinc/35/56/20/720355620.db2.gz YQTJKHOOBVCMCF-VXKWHMMOSA-N 1 1 440.925 5.195 20 0 IKADMO c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)n2)cc1 ZINC001164725209 720358998 /nfs/dbraw/zinc/35/89/98/720358998.db2.gz MPOUPUIVZYHVTE-KAYWLYCHSA-N 1 1 433.559 5.059 20 0 IKADMO c1ccc(-c2ncc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)nc2-c2ccccc2)cc1 ZINC001164725136 720377101 /nfs/dbraw/zinc/37/71/01/720377101.db2.gz MLSFMSBJMBJZTH-LOSJGSFVSA-N 1 1 433.559 5.059 20 0 IKADMO Clc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)n2)cc1 ZINC001164731058 720380589 /nfs/dbraw/zinc/38/05/89/720380589.db2.gz YOMUZHYXMYOYIE-ZEQRLZLVSA-N 1 1 441.966 5.198 20 0 IKADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)nc1 ZINC001164829798 720396150 /nfs/dbraw/zinc/39/61/50/720396150.db2.gz OHPOTBUYJMZSNC-NOZRDPDXSA-N 1 1 440.582 5.371 20 0 IKADMO Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164726964 720398881 /nfs/dbraw/zinc/39/88/81/720398881.db2.gz QACWNDGQVWRLJO-RPWUZVMVSA-N 1 1 441.966 5.198 20 0 IKADMO Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164731930 720413994 /nfs/dbraw/zinc/41/39/94/720413994.db2.gz MJVYYGGAJXDZGJ-WOJBJXKFSA-N 1 1 447.995 5.260 20 0 IKADMO Clc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CC[N@H+]5Cc4cccnc4)c23)cc1 ZINC001164735037 720434503 /nfs/dbraw/zinc/43/45/03/720434503.db2.gz VELFFORQVHJBDH-LEWJYISDSA-N 1 1 447.995 5.260 20 0 IKADMO Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c3ccccc32)cc1C ZINC001164725736 720435499 /nfs/dbraw/zinc/43/54/99/720435499.db2.gz AWUNSLATIYUOBH-FTJBHMTQSA-N 1 1 435.575 5.162 20 0 IKADMO COc1ccc2c(c1)nc(N1CC[C@@H]3[C@@H]1CC[N@H+]3Cc1cccnc1)cc2-c1ccccc1 ZINC001164727832 720439860 /nfs/dbraw/zinc/43/98/60/720439860.db2.gz FCIYPNXPSKHYCN-SXOMAYOGSA-N 1 1 436.559 5.159 20 0 IKADMO c1ccc(Oc2ccc(-c3ccc(N4CC[C@@H]5[C@H]4CC[N@@H+]5Cc4cccnc4)nn3)cc2)cc1 ZINC001164724159 720466963 /nfs/dbraw/zinc/46/69/63/720466963.db2.gz DZAJKSIGKCJLJJ-KAYWLYCHSA-N 1 1 449.558 5.184 20 0 IKADMO CC(C)c1cc2c(ncnc2N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)s1 ZINC001164837067 720656968 /nfs/dbraw/zinc/65/69/68/720656968.db2.gz BCARWQXQAFULDJ-HXUWFJFHSA-N 1 1 436.625 5.075 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(-c3ccc(Cl)cc3)nn1)CC2 ZINC001164843174 720667869 /nfs/dbraw/zinc/66/78/69/720667869.db2.gz UMEZKYIBPOGUHU-QHCPKHFHSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)ncc1-c1ccccc1)CC2 ZINC001164841870 720691752 /nfs/dbraw/zinc/69/17/52/720691752.db2.gz JRTFOTCEOGRSSK-QFIPXVFZSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(Cl)nnc1-c1ccccc1)CC2 ZINC001164845298 720691874 /nfs/dbraw/zinc/69/18/74/720691874.db2.gz XYDJYIWFZKORTE-JOCHJYFZSA-N 1 1 448.998 5.057 20 0 IKADMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(-c3ccccc3Cl)nn1)CC2 ZINC001164845229 720701385 /nfs/dbraw/zinc/70/13/85/720701385.db2.gz WZHVSNYBUSCQAW-OAQYLSRUSA-N 1 1 448.998 5.057 20 0 IKADMO COc1ccc2c(Cl)cc(Cl)nc2c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164857243 720980505 /nfs/dbraw/zinc/98/05/05/720980505.db2.gz FEKDNQQMUQJPRG-CQSZACIVSA-N 1 1 448.398 5.168 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)[C@H]2C ZINC001164863458 721002963 /nfs/dbraw/zinc/00/29/63/721002963.db2.gz VQTBGIUDQVGZIJ-SFHVURJKSA-N 1 1 444.558 5.054 20 0 IKADMO Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164860323 721019618 /nfs/dbraw/zinc/01/96/18/721019618.db2.gz KXXFIPHJBRSMPH-CQSZACIVSA-N 1 1 433.934 5.093 20 0 IKADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)[C@@H]2C ZINC001164857315 721024223 /nfs/dbraw/zinc/02/42/23/721024223.db2.gz CUDWSQRBYMFGPG-OAHLLOKOSA-N 1 1 449.933 5.158 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)c1ccnc(Cl)c1Cl)CC2 ZINC001164792845 721491035 /nfs/dbraw/zinc/49/10/35/721491035.db2.gz NCJYVGLGUBHXIV-UHFFFAOYSA-N 1 1 441.353 5.209 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(-c3ccnc(Cl)c3)ccn1)CC2 ZINC001164791141 721492502 /nfs/dbraw/zinc/49/25/02/721492502.db2.gz BGXFULYIUFGIJY-UHFFFAOYSA-N 1 1 433.987 5.073 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cccc(-c3cccc(Cl)n3)n1)CC2 ZINC001164792989 721495577 /nfs/dbraw/zinc/49/55/77/721495577.db2.gz XLLREWGBSLJVHC-UHFFFAOYSA-N 1 1 433.987 5.073 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1c(Cl)ncc(Cl)c1Cl)CC2 ZINC001164792536 721496130 /nfs/dbraw/zinc/49/61/30/721496130.db2.gz QIGKGWSDEYOWCB-UHFFFAOYSA-N 1 1 425.791 5.318 20 0 IKADMO COc1ccc2c(cc(Cl)nc2N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164796270 721497789 /nfs/dbraw/zinc/49/77/89/721497789.db2.gz PBOMTYSEZTXBGP-UHFFFAOYSA-N 1 1 436.987 5.173 20 0 IKADMO Cc1csc2c1nc(Cl)cc2N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796774 721498150 /nfs/dbraw/zinc/49/81/50/721498150.db2.gz XFAOQWSBWYSYJZ-UHFFFAOYSA-N 1 1 427.017 5.534 20 0 IKADMO Cc1nc(-c2ccccc2)nc(Cl)c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795426 721501074 /nfs/dbraw/zinc/50/10/74/721501074.db2.gz GODHAFLCTIZYOR-UHFFFAOYSA-N 1 1 448.014 5.381 20 0 IKADMO CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164797382 721503163 /nfs/dbraw/zinc/50/31/63/721503163.db2.gz YZTKQZZGHAVOTN-QGZVFWFLSA-N 1 1 428.024 5.228 20 0 IKADMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(C(F)(F)C1(c3ccnc(Cl)c3)CC1)CC2 ZINC001164794613 721503624 /nfs/dbraw/zinc/50/36/24/721503624.db2.gz AUSYVKOONVZRSH-UHFFFAOYSA-N 1 1 446.973 5.131 20 0 IKADMO Cc1ccc(F)c2cc(C)c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc12 ZINC001164906163 721712744 /nfs/dbraw/zinc/71/27/44/721712744.db2.gz KGTAOBUEXXDKBL-XMMPIXPASA-N 1 1 440.513 5.123 20 0 IKADMO CC(C)c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(C(C)(C)C)n1 ZINC001164913162 721730246 /nfs/dbraw/zinc/73/02/46/721730246.db2.gz UQMFSTHXHXBNOJ-DEOSSOPVSA-N 1 1 443.586 5.030 20 0 IKADMO Fc1cc2ccnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2cc1Cl ZINC001164911628 721733177 /nfs/dbraw/zinc/73/31/77/721733177.db2.gz JTAWYZQLQJDIBQ-QFIPXVFZSA-N 1 1 446.904 5.160 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc3ccc(F)cc31)C2 ZINC001164907990 721749664 /nfs/dbraw/zinc/74/96/64/721749664.db2.gz FSVHANQTBJXWIC-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc3ccc(F)cc31)C2 ZINC001164907990 721749668 /nfs/dbraw/zinc/74/96/68/721749668.db2.gz FSVHANQTBJXWIC-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3ccc(F)cc31)C2 ZINC001164909396 721749874 /nfs/dbraw/zinc/74/98/74/721749874.db2.gz QWAPHWXARHHJAP-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3ccc(F)cc31)C2 ZINC001164909396 721749879 /nfs/dbraw/zinc/74/98/79/721749879.db2.gz QWAPHWXARHHJAP-UHFFFAOYSA-N 1 1 436.918 5.210 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@@H]21 ZINC001165027798 721801752 /nfs/dbraw/zinc/80/17/52/721801752.db2.gz XRWMCSHRILJJHM-DKSSEZFCSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@@H]21 ZINC001165023955 721801840 /nfs/dbraw/zinc/80/18/40/721801840.db2.gz KJUZOPYWHXLYBL-SIXWZSSISA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@@H]21 ZINC001165023957 721802186 /nfs/dbraw/zinc/80/21/86/721802186.db2.gz KJUZOPYWHXLYBL-URLQWDBASA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)cccc43)C[C@@H]21 ZINC001165025529 721809615 /nfs/dbraw/zinc/80/96/15/721809615.db2.gz NICJJUDWTHGYIK-MOXGXCLJSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4c(Cl)cccc43)C[C@H]21 ZINC001165025531 721809746 /nfs/dbraw/zinc/80/97/46/721809746.db2.gz NICJJUDWTHGYIK-XFQXTVEOSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4c(Cl)ccnc43)C[C@@H]21 ZINC001165026105 721810843 /nfs/dbraw/zinc/81/08/43/721810843.db2.gz PEHYOMUUEPWYTQ-MOXGXCLJSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@@H]21 ZINC001165025974 721811523 /nfs/dbraw/zinc/81/15/23/721811523.db2.gz OOWAVGRPHSMBLA-UWWQBHOKSA-N 1 1 441.353 5.065 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)nc4cc(Cl)ccc43)C[C@@H]21 ZINC001165022642 721811589 /nfs/dbraw/zinc/81/15/89/721811589.db2.gz GJAOQRYMRFIWGE-PAXLWEDBSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)nc4cccc(Cl)c43)C[C@H]21 ZINC001165022790 721811863 /nfs/dbraw/zinc/81/18/63/721811863.db2.gz HDYRABVXOMTEOU-WRWLIDTKSA-N 1 1 442.394 5.069 20 0 IKADMO COc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c2cc(Cl)ccc12 ZINC001165027437 721812335 /nfs/dbraw/zinc/81/23/35/721812335.db2.gz USEOUZFEUUJLQO-RTFZILSDSA-N 1 1 436.987 5.029 20 0 IKADMO COc1ccc2c(cc(Cl)nc2N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165019800 721818476 /nfs/dbraw/zinc/81/84/76/721818476.db2.gz BWGFFKYXPNPJHG-PDIWNELESA-N 1 1 436.987 5.029 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncnc4cc(Cl)c(Cl)cc43)C[C@H]21 ZINC001165026500 721818971 /nfs/dbraw/zinc/81/89/71/721818971.db2.gz QWQOLHXPEWBWFS-QXATTWAWSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncnc4cc(Cl)c(Cl)cc43)C[C@@H]21 ZINC001165026496 721818993 /nfs/dbraw/zinc/81/89/93/721818993.db2.gz QWQOLHXPEWBWFS-FXCLAUTBSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(SCc4ccccc4)ccn3)C[C@@H]21 ZINC001165021375 721826468 /nfs/dbraw/zinc/82/64/68/721826468.db2.gz FEQRDPDPTCEZJZ-ZSQFBXSQSA-N 1 1 444.648 5.506 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(Cl)cccc4nc3Cl)C[C@@H]21 ZINC001165027531 721829620 /nfs/dbraw/zinc/82/96/20/721829620.db2.gz SNCJHUHMDZLUQG-RIFZZMRRSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(Cl)cccc4nc3Cl)C[C@H]21 ZINC001165027533 721829698 /nfs/dbraw/zinc/82/96/98/721829698.db2.gz SNCJHUHMDZLUQG-WRWLIDTKSA-N 1 1 442.394 5.069 20 0 IKADMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(Cl)cccc4nc3Cl)C[C@@H]21 ZINC001165027529 721829760 /nfs/dbraw/zinc/82/97/60/721829760.db2.gz SNCJHUHMDZLUQG-OXFYSEKESA-N 1 1 442.394 5.069 20 0 IKADMO c1sc2ncnc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1-c1ccccc1 ZINC001164952906 722015243 /nfs/dbraw/zinc/01/52/43/722015243.db2.gz OSEHOXDLQPKUKG-UHFFFAOYSA-N 1 1 441.604 5.246 20 0 IKADMO Clc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164953768 722015835 /nfs/dbraw/zinc/01/58/35/722015835.db2.gz YYOSBPGOHTXAEO-UHFFFAOYSA-N 1 1 427.379 5.429 20 0 IKADMO FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164952466 722016279 /nfs/dbraw/zinc/01/62/79/722016279.db2.gz LEZZBJPPRWBDBB-UHFFFAOYSA-N 1 1 442.941 5.321 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(-c4ccccn4)nc4ccccc42)C3)c1 ZINC001164996263 722207703 /nfs/dbraw/zinc/20/77/03/722207703.db2.gz SJUZLUSNONNJSK-MHZLTWQESA-N 1 1 439.538 5.076 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(-c4cccnc4)nc4ccccc42)C3)c1 ZINC001164994422 722207789 /nfs/dbraw/zinc/20/77/89/722207789.db2.gz GOHYYXZFFSHJGY-MHZLTWQESA-N 1 1 439.538 5.076 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(-c4ccccn4)nc4ccccc42)C3)c1 ZINC001164996262 722207965 /nfs/dbraw/zinc/20/79/65/722207965.db2.gz SJUZLUSNONNJSK-HHHXNRCGSA-N 1 1 439.538 5.076 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(-c4ccccn4)nc4sccc42)C3)c1 ZINC001164995493 722211329 /nfs/dbraw/zinc/21/13/29/722211329.db2.gz JDLNFRXLULOFFV-RUZDIDTESA-N 1 1 445.567 5.137 20 0 IKADMO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164994691 722213372 /nfs/dbraw/zinc/21/33/72/722213372.db2.gz CJHHCBHPRWIITI-OAQYLSRUSA-N 1 1 435.921 5.239 20 0 IKADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164994691 722213376 /nfs/dbraw/zinc/21/33/76/722213376.db2.gz CJHHCBHPRWIITI-OAQYLSRUSA-N 1 1 435.921 5.239 20 0 IKADMO