smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1c(Br)cc(C[NH2+][C@@H](C)c2ccccc2)cc1Br ZINC000010473931 560769441 /nfs/dbraw/zinc/76/94/41/560769441.db2.gz ODDNDPZVOTZLSL-LBPRGKRZSA-N 1 0 413.153 5.461 20 0 HKADRO CCOc1c(Br)cc(C[NH2+][C@H](C)c2ccccc2)cc1Br ZINC000010473933 560769541 /nfs/dbraw/zinc/76/95/41/560769541.db2.gz ODDNDPZVOTZLSL-GFCCVEGCSA-N 1 0 413.153 5.461 20 0 HKADRO CCOc1c(Br)cc(C[NH2+]Cc2ccc(F)cc2)cc1Br ZINC000010475218 560769567 /nfs/dbraw/zinc/76/95/67/560769567.db2.gz BHGCTXPSSCGDNS-UHFFFAOYSA-N 1 0 417.116 5.039 20 0 HKADRO COc1ccc(CC[N@H+](C)Cc2csc(-c3ccc(Cl)cc3)n2)cc1OC ZINC000016338724 569031678 /nfs/dbraw/zinc/03/16/78/569031678.db2.gz QAYHEEYLLVSASV-UHFFFAOYSA-N 1 0 402.947 5.155 20 0 HKADRO COc1c(Br)cc(C[NH2+]Cc2ccccc2Cl)cc1Br ZINC000020927159 568460576 /nfs/dbraw/zinc/46/05/76/568460576.db2.gz MZDKUJONDINWMZ-UHFFFAOYSA-N 1 0 419.544 5.163 20 0 HKADRO CCCOc1c(Br)cc(Br)cc1C[NH2+]Cc1cccs1 ZINC000020929673 558423932 /nfs/dbraw/zinc/42/39/32/558423932.db2.gz DKBWJGDGUMAESJ-UHFFFAOYSA-N 1 0 419.182 5.352 20 0 HKADRO FC(F)(F)c1cccc(C2=CC[N@H+](CCc3ccc(-c4ccccc4)cc3)CC2)c1 ZINC000035826853 571317045 /nfs/dbraw/zinc/31/70/45/571317045.db2.gz CNEWKIDCGDXBDE-UHFFFAOYSA-N 1 0 407.479 6.704 20 0 investigational HKADRO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1c(Cl)cccc1Cl ZINC000040736887 520724516 /nfs/dbraw/zinc/72/45/16/520724516.db2.gz LPUZEJDOSJLBKK-UHFFFAOYSA-N 1 0 417.336 5.656 20 0 HKADRO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1OCc1c(Cl)cccc1Cl ZINC000040737001 520725056 /nfs/dbraw/zinc/72/50/56/520725056.db2.gz KVRFXJWUHPNJSE-UHFFFAOYSA-N 1 0 417.336 5.656 20 0 HKADRO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1OCc1c(F)cccc1Cl ZINC000040737341 520723925 /nfs/dbraw/zinc/72/39/25/520723925.db2.gz WCRDLXXEAJFHMG-UHFFFAOYSA-N 1 0 400.881 5.142 20 0 HKADRO COc1cccc(-c2cc(C(F)(F)N3CCC4(CCCC[NH2+]4)CC3)cnc2Cl)c1 ZINC001164386673 718803991 /nfs/dbraw/zinc/80/39/91/718803991.db2.gz CXUAWQKFJQXZRY-UHFFFAOYSA-N 1 0 421.919 5.068 20 0 HKADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCC4(CC([NH3+])C4)CC3)c(Cl)nn2)cc1 ZINC001164387258 718802699 /nfs/dbraw/zinc/80/26/99/718802699.db2.gz KUHKCWDJKPVJAT-UHFFFAOYSA-N 1 0 420.935 5.173 20 0 HKADRO [NH3+]C1CC2(C1)CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(Cl)cc3)c1)CC2 ZINC001164387283 718802726 /nfs/dbraw/zinc/80/27/26/718802726.db2.gz LPMYFGRIKFIUIN-UHFFFAOYSA-N 1 0 412.311 5.308 20 0 HKADRO Fc1cccc(-c2cc(C(F)(F)N3CCC4(CCCC[NH2+]4)CC3)cnc2Cl)c1 ZINC001164387742 718803627 /nfs/dbraw/zinc/80/36/27/718803627.db2.gz NVSOWIJUBVVDPH-UHFFFAOYSA-N 1 0 409.883 5.199 20 0 HKADRO Fc1ccccc1-c1cc(C(F)(F)N2CCC3(CCCC[NH2+]3)CC2)cnc1Cl ZINC001164387773 718803559 /nfs/dbraw/zinc/80/35/59/718803559.db2.gz PLXWSXQPDHGCED-UHFFFAOYSA-N 1 0 409.883 5.199 20 0 HKADRO Fc1ccc(-c2cc(C(F)(F)N3CCC4(CCCC[NH2+]4)CC3)cnc2Cl)cc1 ZINC001164388092 718803729 /nfs/dbraw/zinc/80/37/29/718803729.db2.gz SACNQGUWVKVXNJ-UHFFFAOYSA-N 1 0 409.883 5.199 20 0 HKADRO Clc1ncc2c(c1N1CCC13CCCC3)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001164400269 718845146 /nfs/dbraw/zinc/84/51/46/718845146.db2.gz VBNBXEYMZGXIGD-UHFFFAOYSA-N 1 0 423.988 5.279 20 0 HKADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164413139 718880478 /nfs/dbraw/zinc/88/04/78/718880478.db2.gz CFOZAZFYHJYBIO-AWEZNQCLSA-N 1 0 419.825 5.086 20 0 HKADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164413141 718880694 /nfs/dbraw/zinc/88/06/94/718880694.db2.gz CFOZAZFYHJYBIO-CQSZACIVSA-N 1 0 419.825 5.086 20 0 HKADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1ccc2c(ccnc2Cl)c1 ZINC001164413144 718881305 /nfs/dbraw/zinc/88/13/05/718881305.db2.gz CIEQPCYUPUAMQU-HNNXBMFYSA-N 1 0 419.825 5.086 20 0 HKADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1ccc2c(ccnc2Cl)c1 ZINC001164413146 718881487 /nfs/dbraw/zinc/88/14/87/718881487.db2.gz CIEQPCYUPUAMQU-OAHLLOKOSA-N 1 0 419.825 5.086 20 0 HKADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164413212 718880209 /nfs/dbraw/zinc/88/02/09/718880209.db2.gz DNEAEGZTPAKBFW-HNNXBMFYSA-N 1 0 419.825 5.086 20 0 HKADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164413213 718880114 /nfs/dbraw/zinc/88/01/14/718880114.db2.gz DNEAEGZTPAKBFW-OAHLLOKOSA-N 1 0 419.825 5.086 20 0 HKADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164413807 718880063 /nfs/dbraw/zinc/88/00/63/718880063.db2.gz NQVCISHIOCNSNS-HNNXBMFYSA-N 1 0 419.825 5.086 20 0 HKADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164413808 718880269 /nfs/dbraw/zinc/88/02/69/718880269.db2.gz NQVCISHIOCNSNS-OAHLLOKOSA-N 1 0 419.825 5.086 20 0 HKADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cc2ccccc2nc1Cl ZINC001164414060 718881009 /nfs/dbraw/zinc/88/10/09/718881009.db2.gz PUUMQWZXKQKXMI-HNNXBMFYSA-N 1 0 419.825 5.086 20 0 HKADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cc2ccccc2nc1Cl ZINC001164414066 718880879 /nfs/dbraw/zinc/88/08/79/718880879.db2.gz PUUMQWZXKQKXMI-OAHLLOKOSA-N 1 0 419.825 5.086 20 0 HKADRO FC(F)(F)[C@@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164414106 718880831 /nfs/dbraw/zinc/88/08/31/718880831.db2.gz QJCUIXBUFDKFMB-HNNXBMFYSA-N 1 0 419.825 5.086 20 0 HKADRO FC(F)(F)[C@H]1CCC2(CC[NH2+]CC2)N1C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164414108 718880899 /nfs/dbraw/zinc/88/08/99/718880899.db2.gz QJCUIXBUFDKFMB-OAHLLOKOSA-N 1 0 419.825 5.086 20 0 HKADRO Cc1ccc(-c2cc(C(F)(F)N3CCCC[C@H]3C3CC[NH2+]CC3)c(Cl)nn2)cc1 ZINC001164420297 718893376 /nfs/dbraw/zinc/89/33/76/718893376.db2.gz LIRRHDBJCSBCGS-FQEVSTJZSA-N 1 0 420.935 5.009 20 0 HKADRO Cc1ccc(-c2cc(C(F)(F)N3CCCC[C@@H]3C3CC[NH2+]CC3)c(Cl)nn2)cc1 ZINC001164420298 718893328 /nfs/dbraw/zinc/89/33/28/718893328.db2.gz LIRRHDBJCSBCGS-HXUWFJFHSA-N 1 0 420.935 5.009 20 0 HKADRO Fc1ccc(-c2cc(C(F)(F)N3CCCCC34CC[NH2+]CC4)cnc2Cl)cc1 ZINC001164421139 718911778 /nfs/dbraw/zinc/91/17/78/718911778.db2.gz PXRKBYAZDCGGNM-UHFFFAOYSA-N 1 0 409.883 5.199 20 0 HKADRO Fc1ccccc1-c1cc(C(F)(F)N2CCCCC23CC[NH2+]CC3)cnc1Cl ZINC001164421474 718911883 /nfs/dbraw/zinc/91/18/83/718911883.db2.gz QYZBFFCMCRPXIS-UHFFFAOYSA-N 1 0 409.883 5.199 20 0 HKADRO COc1cccc(-c2cc(C(F)(F)N3CCCCC34CC[NH2+]CC4)cnc2Cl)c1 ZINC001164421541 718913076 /nfs/dbraw/zinc/91/30/76/718913076.db2.gz UBJASBYCDWLLAR-UHFFFAOYSA-N 1 0 421.919 5.068 20 0 HKADRO Fc1cccc(-c2cc(C(F)(F)N3CCCCC34CC[NH2+]CC4)cnc2Cl)c1 ZINC001164422232 718912144 /nfs/dbraw/zinc/91/21/44/718912144.db2.gz XVLGNDPSYYEXIK-UHFFFAOYSA-N 1 0 409.883 5.199 20 0 HKADRO Cc1cccc(-c2cc(C(F)(F)N3CCCC[C@H]3C3CC[NH2+]CC3)c(Cl)nn2)c1 ZINC001164422401 718893466 /nfs/dbraw/zinc/89/34/66/718893466.db2.gz VAARXXSJQVHAJP-FQEVSTJZSA-N 1 0 420.935 5.009 20 0 HKADRO Cc1cccc(-c2cc(C(F)(F)N3CCCC[C@@H]3C3CC[NH2+]CC3)c(Cl)nn2)c1 ZINC001164422404 718893274 /nfs/dbraw/zinc/89/32/74/718893274.db2.gz VAARXXSJQVHAJP-HXUWFJFHSA-N 1 0 420.935 5.009 20 0 HKADRO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001164422623 718893848 /nfs/dbraw/zinc/89/38/48/718893848.db2.gz XLQQATKXJWBNHB-KRWDZBQOSA-N 1 0 411.949 5.367 20 0 HKADRO FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001164422624 718893883 /nfs/dbraw/zinc/89/38/83/718893883.db2.gz XLQQATKXJWBNHB-QGZVFWFLSA-N 1 0 411.949 5.367 20 0 HKADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC(=O)c4ccc(F)cc43)CC2)nc1 ZINC001164423267 718939218 /nfs/dbraw/zinc/93/92/18/718939218.db2.gz GAAGHSDQEIPIAX-HSZRJFAPSA-N 1 0 421.560 5.282 20 0 HKADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC(=O)c4ccc(F)cc43)CC2)nc1 ZINC001164423268 718937962 /nfs/dbraw/zinc/93/79/62/718937962.db2.gz GAAGHSDQEIPIAX-QHCPKHFHSA-N 1 0 421.560 5.282 20 0 HKADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624690 719046255 /nfs/dbraw/zinc/04/62/55/719046255.db2.gz OURWSNOPCHTGLF-DENIHFKCSA-N 1 0 413.899 5.017 20 0 HKADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624698 719046337 /nfs/dbraw/zinc/04/63/37/719046337.db2.gz OURWSNOPCHTGLF-KNQAVFIVSA-N 1 0 413.899 5.017 20 0 HKADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624702 719046588 /nfs/dbraw/zinc/04/65/88/719046588.db2.gz OURWSNOPCHTGLF-SIKLNZKXSA-N 1 0 413.899 5.017 20 0 HKADRO FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624705 719046531 /nfs/dbraw/zinc/04/65/31/719046531.db2.gz OURWSNOPCHTGLF-UGKGYDQZSA-N 1 0 413.899 5.017 20 0 HKADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624709 719046910 /nfs/dbraw/zinc/04/69/10/719046910.db2.gz OVMJICOTQMEDFX-IFMALSPDSA-N 1 0 413.899 5.017 20 0 HKADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624714 719046745 /nfs/dbraw/zinc/04/67/45/719046745.db2.gz OVMJICOTQMEDFX-IRLDBZIGSA-N 1 0 413.899 5.017 20 0 HKADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624719 719046751 /nfs/dbraw/zinc/04/67/51/719046751.db2.gz OVMJICOTQMEDFX-RBBKRZOGSA-N 1 0 413.899 5.017 20 0 HKADRO FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624723 719047185 /nfs/dbraw/zinc/04/71/85/719047185.db2.gz OVMJICOTQMEDFX-UNMCSNQZSA-N 1 0 413.899 5.017 20 0 HKADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626228 719048236 /nfs/dbraw/zinc/04/82/36/719048236.db2.gz RBIRSZIVAZGUHS-IFMALSPDSA-N 1 0 413.899 5.017 20 0 HKADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164626230 719048568 /nfs/dbraw/zinc/04/85/68/719048568.db2.gz RBIRSZIVAZGUHS-IRLDBZIGSA-N 1 0 413.899 5.017 20 0 HKADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626232 719048131 /nfs/dbraw/zinc/04/81/31/719048131.db2.gz RBIRSZIVAZGUHS-RBBKRZOGSA-N 1 0 413.899 5.017 20 0 HKADRO FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164626234 719048344 /nfs/dbraw/zinc/04/83/44/719048344.db2.gz RBIRSZIVAZGUHS-UNMCSNQZSA-N 1 0 413.899 5.017 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4cc(Cl)ccc4n2)CC3)cs1 ZINC001164690826 719804856 /nfs/dbraw/zinc/80/48/56/719804856.db2.gz AJCNVGIWJAXFML-UHFFFAOYSA-N 1 0 412.990 5.288 20 0 HKADRO Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4ccc(C(C)C)cc42)CC3)cs1 ZINC001164691663 719813792 /nfs/dbraw/zinc/81/37/92/719813792.db2.gz JKTAKWFIVBCXNE-UHFFFAOYSA-N 1 0 421.614 5.153 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)nc4sccc42)CC3)cs1 ZINC001164691889 719807281 /nfs/dbraw/zinc/80/72/81/719807281.db2.gz AAAWVADZPGZPEK-UHFFFAOYSA-N 1 0 419.019 5.350 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4cc(Cl)ccc42)CC3)cs1 ZINC001164691957 719807120 /nfs/dbraw/zinc/80/71/20/719807120.db2.gz BRQWHOXJBISRLX-UHFFFAOYSA-N 1 0 412.990 5.288 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4c(Cl)cccc4n2)CC3)cs1 ZINC001164691985 719808664 /nfs/dbraw/zinc/80/86/64/719808664.db2.gz DODVSIKLTMMBPN-UHFFFAOYSA-N 1 0 412.990 5.288 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(-c4ccccc4)ccn2)CC3)cs1 ZINC001164692056 719806049 /nfs/dbraw/zinc/80/60/49/719806049.db2.gz FNNMHPUXLSRZDG-UHFFFAOYSA-N 1 0 404.583 5.149 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)c4cccc(C)c4n2)CC3)cs1 ZINC001164692279 719804744 /nfs/dbraw/zinc/80/47/44/719804744.db2.gz MHUKCHZIBVQEEV-UHFFFAOYSA-N 1 0 406.599 5.252 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)nc4ccccc42)CC3)cs1 ZINC001164692388 719803284 /nfs/dbraw/zinc/80/32/84/719803284.db2.gz NROLGOHJXMCNFH-UHFFFAOYSA-N 1 0 412.990 5.288 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4ccc(Cl)cc4n2)CC3)cs1 ZINC001164692430 719810859 /nfs/dbraw/zinc/81/08/59/719810859.db2.gz GRYPQVKLDRKECB-UHFFFAOYSA-N 1 0 412.990 5.288 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4c(Cl)cccc42)CC3)cs1 ZINC001164692441 719808003 /nfs/dbraw/zinc/80/80/03/719808003.db2.gz HFTQVQAKDPEZAM-UHFFFAOYSA-N 1 0 412.990 5.288 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc4cccc(Cl)c4n2)CC3)cs1 ZINC001164692518 719807464 /nfs/dbraw/zinc/80/74/64/719807464.db2.gz ISHZMOCUJYQGIJ-UHFFFAOYSA-N 1 0 412.990 5.288 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(Cl)nc4ccsc42)CC3)cs1 ZINC001164692599 719807100 /nfs/dbraw/zinc/80/71/00/719807100.db2.gz KPESYHJUWJMTGW-UHFFFAOYSA-N 1 0 419.019 5.350 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(C)c4ccc(C)c(C)c4n2)CC3)cs1 ZINC001164693114 719814077 /nfs/dbraw/zinc/81/40/77/719814077.db2.gz UUSKTKPWFBIECK-UHFFFAOYSA-N 1 0 420.626 5.560 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccc4ccc(Cl)cc42)CC3)cs1 ZINC001164694049 719807083 /nfs/dbraw/zinc/80/70/83/719807083.db2.gz UGKDGTUBXQHDQA-UHFFFAOYSA-N 1 0 412.990 5.288 20 0 HKADRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4c(C)ccc(F)c4cc2C)CC3)cs1 ZINC001164694061 719811205 /nfs/dbraw/zinc/81/12/05/719811205.db2.gz ULEZLIPHOASYRN-UHFFFAOYSA-N 1 0 424.589 5.391 20 0 HKADRO c1ccc(-c2cc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc3ccccc32)cc1 ZINC001164735097 720432029 /nfs/dbraw/zinc/43/20/29/720432029.db2.gz VYZURGQGHORBLU-CLJLJLNGSA-N 1 0 406.533 5.150 20 0 HKADRO c1ccc(-c2cc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc3ccccc32)cc1 ZINC001164735098 720432595 /nfs/dbraw/zinc/43/25/95/720432595.db2.gz VYZURGQGHORBLU-FTJBHMTQSA-N 1 0 406.533 5.150 20 0 HKADRO c1ccc(-c2cc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc3ccccc32)cc1 ZINC001164735099 720430946 /nfs/dbraw/zinc/43/09/46/720430946.db2.gz VYZURGQGHORBLU-IZZNHLLZSA-N 1 0 406.533 5.150 20 0 HKADRO c1ccc(-c2cc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc3ccccc32)cc1 ZINC001164735100 720431393 /nfs/dbraw/zinc/43/13/93/720431393.db2.gz VYZURGQGHORBLU-UIOOFZCWSA-N 1 0 406.533 5.150 20 0 HKADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(COC5CCC5)cn4)CC3)CC2)cc1 ZINC001164759608 721046801 /nfs/dbraw/zinc/04/68/01/721046801.db2.gz PXFKKMGJIFIKCF-UHFFFAOYSA-N 1 0 419.613 5.342 20 0 HKADRO Cc1ccc(C[NH+]2CCC3(CCN(c4ccc(-c5ccncc5)cn4)CC3)CC2)cc1 ZINC001164760014 721045930 /nfs/dbraw/zinc/04/59/30/721045930.db2.gz ULQQVRWOKRBYML-UHFFFAOYSA-N 1 0 412.581 5.335 20 0 HKADRO Cc1ccc(C[NH+]2CCC3(CCN(c4nnc(Cl)c5ccoc54)CC3)CC2)cc1 ZINC001164760485 721045131 /nfs/dbraw/zinc/04/51/31/721045131.db2.gz VEYVGMMOGKEBGI-UHFFFAOYSA-N 1 0 410.949 5.067 20 0 HKADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)nc1 ZINC001164773524 721061422 /nfs/dbraw/zinc/06/14/22/721061422.db2.gz SEAMIXSUONEVFS-BFLUCZKCSA-N 1 0 405.586 5.172 20 0 HKADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)nc1 ZINC001164773528 721061271 /nfs/dbraw/zinc/06/12/71/721061271.db2.gz SEAMIXSUONEVFS-DGWZTRNLSA-N 1 0 405.586 5.172 20 0 HKADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)nc1 ZINC001164773532 721061180 /nfs/dbraw/zinc/06/11/80/721061180.db2.gz SEAMIXSUONEVFS-GSLIJJQTSA-N 1 0 405.586 5.172 20 0 HKADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)nc1 ZINC001164773537 721061406 /nfs/dbraw/zinc/06/14/06/721061406.db2.gz SEAMIXSUONEVFS-MZKUHISZSA-N 1 0 405.586 5.172 20 0 HKADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CCC(CC(=O)N3CC=CC3)CC2)CC1 ZINC001164778631 721328844 /nfs/dbraw/zinc/32/88/44/721328844.db2.gz XULDHOVNIZLKCK-UHFFFAOYSA-N 1 0 416.009 5.031 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc3ccc(F)cc31)CC2 ZINC001164791392 721492728 /nfs/dbraw/zinc/49/27/28/721492728.db2.gz CIRYGRGJFICYBE-UHFFFAOYSA-N 1 0 424.951 5.303 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164791589 721494930 /nfs/dbraw/zinc/49/49/30/721494930.db2.gz DXLDTIPFEKPTMU-UHFFFAOYSA-N 1 0 406.961 5.164 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3ccsc31)CC2 ZINC001164791925 721493054 /nfs/dbraw/zinc/49/30/54/721493054.db2.gz FALMAELDARMGFL-UHFFFAOYSA-N 1 0 412.990 5.226 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3cccc(Cl)c3n1)CC2 ZINC001164791931 721494149 /nfs/dbraw/zinc/49/41/49/721494149.db2.gz FGABWNCNTWDQJN-UHFFFAOYSA-N 1 0 406.961 5.164 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3sccc31)CC2 ZINC001164791962 721493542 /nfs/dbraw/zinc/49/35/42/721493542.db2.gz HEKVNMMAAQIIKW-UHFFFAOYSA-N 1 0 412.990 5.226 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc3cc(F)ccc31)CC2 ZINC001164792172 721489093 /nfs/dbraw/zinc/48/90/93/721489093.db2.gz HQVDMUIWQNFLNW-UHFFFAOYSA-N 1 0 424.951 5.303 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3ccc(F)cc31)CC2 ZINC001164792209 721492705 /nfs/dbraw/zinc/49/27/05/721492705.db2.gz KIDPUGAACWIEKS-UHFFFAOYSA-N 1 0 424.951 5.303 20 0 HKADRO Cc1ccc2nc(Cl)cc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164792542 721493515 /nfs/dbraw/zinc/49/35/15/721493515.db2.gz QKPBHOJRFDNCLN-UHFFFAOYSA-N 1 0 420.988 5.473 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3cc(Cl)ccc31)CC2 ZINC001164792613 721493322 /nfs/dbraw/zinc/49/33/22/721493322.db2.gz SFPQCIYMNLBYSB-UHFFFAOYSA-N 1 0 406.961 5.164 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164792665 721493107 /nfs/dbraw/zinc/49/31/07/721493107.db2.gz TWNFOIUVVNGKDH-UHFFFAOYSA-N 1 0 406.961 5.164 20 0 HKADRO Cc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164792848 721496559 /nfs/dbraw/zinc/49/65/59/721496559.db2.gz UAFHUXFSLLODAC-UHFFFAOYSA-N 1 0 420.988 5.473 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3c(Cl)cccc31)CC2 ZINC001164792865 721494797 /nfs/dbraw/zinc/49/47/97/721494797.db2.gz UCXKZPXPOKGHST-UHFFFAOYSA-N 1 0 406.961 5.164 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(F)cc3ccc(Cl)nc31)CC2 ZINC001164792994 721495526 /nfs/dbraw/zinc/49/55/26/721495526.db2.gz XVIMPGLUDKXJPM-UHFFFAOYSA-N 1 0 424.951 5.303 20 0 HKADRO Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc2c(C)cccc12 ZINC001164793141 721490488 /nfs/dbraw/zinc/49/04/88/721490488.db2.gz OBJXOWJKPAUYDY-UHFFFAOYSA-N 1 0 400.570 5.128 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164793163 721491272 /nfs/dbraw/zinc/49/12/72/721491272.db2.gz OFEWXODFFSUXCC-UHFFFAOYSA-N 1 0 406.961 5.164 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3ccccc31)CC2 ZINC001164793379 721489304 /nfs/dbraw/zinc/48/93/04/721489304.db2.gz RHNSXISZGAEBDY-UHFFFAOYSA-N 1 0 406.961 5.164 20 0 HKADRO CC(C)c1cc2c(ncnc2N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)s1 ZINC001164793814 721490036 /nfs/dbraw/zinc/49/00/36/721490036.db2.gz XGEKAEFPSUYIPK-UHFFFAOYSA-N 1 0 421.614 5.091 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccc3cc(F)c(Cl)cc31)CC2 ZINC001164794637 721502980 /nfs/dbraw/zinc/50/29/80/721502980.db2.gz BCDSAADQGXMUIS-UHFFFAOYSA-N 1 0 424.951 5.303 20 0 HKADRO Cc1ccc2c(C)cc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc2c1C ZINC001164795152 721500834 /nfs/dbraw/zinc/50/08/34/721500834.db2.gz FOBYKZAXFKXYOT-UHFFFAOYSA-N 1 0 414.597 5.436 20 0 HKADRO Cc1cccc2cc(Cl)nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c12 ZINC001164795296 721503224 /nfs/dbraw/zinc/50/32/24/721503224.db2.gz KFNTWGAQDLWMBS-UHFFFAOYSA-N 1 0 420.988 5.473 20 0 HKADRO Cc1ccc(F)c2cc(C)c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc12 ZINC001164795457 721497327 /nfs/dbraw/zinc/49/73/27/721497327.db2.gz HOYBWIHJBZNJHW-UHFFFAOYSA-N 1 0 418.560 5.267 20 0 HKADRO Cc1ccc2cc(Cl)nc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164795964 721497853 /nfs/dbraw/zinc/49/78/53/721497853.db2.gz NXSQNJGNGHEEQE-UHFFFAOYSA-N 1 0 420.988 5.473 20 0 HKADRO CC(C)c1nc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)cc(C(C)(C)C)n1 ZINC001164796316 721501621 /nfs/dbraw/zinc/50/16/21/721501621.db2.gz PZUOYNILKDSYTP-UHFFFAOYSA-N 1 0 421.633 5.174 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(Cl)nc3c(F)cccc13)CC2 ZINC001164796323 721503705 /nfs/dbraw/zinc/50/37/05/721503705.db2.gz RUHKLNLBJATBQT-UHFFFAOYSA-N 1 0 424.951 5.303 20 0 HKADRO Cc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796340 721497992 /nfs/dbraw/zinc/49/79/92/721497992.db2.gz QQHJTIDNMRWFCH-UHFFFAOYSA-N 1 0 420.988 5.473 20 0 HKADRO CC(C)c1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc(C(C)(C)C)n1 ZINC001164796359 721501624 /nfs/dbraw/zinc/50/16/24/721501624.db2.gz REKBWPUXZWVVRV-UHFFFAOYSA-N 1 0 421.633 5.174 20 0 HKADRO Cc1c(Cl)ccc2ccc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)nc21 ZINC001164796384 721498439 /nfs/dbraw/zinc/49/84/39/721498439.db2.gz SYTVPJMWCQMULR-UHFFFAOYSA-N 1 0 420.988 5.473 20 0 HKADRO Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc2cc(Cl)ccc12 ZINC001164796663 721497211 /nfs/dbraw/zinc/49/72/11/721497211.db2.gz VAJOXPRLQBXSHK-UHFFFAOYSA-N 1 0 420.988 5.473 20 0 HKADRO CC(C)c1ccc2ncnc(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2c1 ZINC001164796702 721500780 /nfs/dbraw/zinc/50/07/80/721500780.db2.gz VTGZHNSIWHGDCY-UHFFFAOYSA-N 1 0 415.585 5.029 20 0 HKADRO Cc1nc(C2CCCCC2)cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164796760 721499468 /nfs/dbraw/zinc/49/94/68/721499468.db2.gz WZEWIQAMJDZKPE-UHFFFAOYSA-N 1 0 419.617 5.109 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164796820 721497083 /nfs/dbraw/zinc/49/70/83/721497083.db2.gz ZDLPLOXKVNPUAM-UHFFFAOYSA-N 1 0 406.961 5.164 20 0 HKADRO Cc1cc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)nc2c(Cl)cccc12 ZINC001164796824 721498761 /nfs/dbraw/zinc/49/87/61/721498761.db2.gz ZFKSCRTWPPDPOI-UHFFFAOYSA-N 1 0 420.988 5.473 20 0 HKADRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(Cl)cc3cccc(F)c31)CC2 ZINC001164797071 721504756 /nfs/dbraw/zinc/50/47/56/721504756.db2.gz YNHXEGUEGQVKPL-UHFFFAOYSA-N 1 0 424.951 5.303 20 0 HKADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164828676 720396505 /nfs/dbraw/zinc/39/65/05/720396505.db2.gz KIHKTMYOGUMLMH-NRFANRHFSA-N 1 0 405.920 5.208 20 0 HKADRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164828680 720396937 /nfs/dbraw/zinc/39/69/37/720396937.db2.gz KIHKTMYOGUMLMH-OAQYLSRUSA-N 1 0 405.920 5.208 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164839728 720698970 /nfs/dbraw/zinc/69/89/70/720698970.db2.gz BNNXXTUXVRZRJV-JOCHJYFZSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3ccc(Cl)cc3n1)CC2 ZINC001164839746 720698857 /nfs/dbraw/zinc/69/88/57/720698857.db2.gz BNNXXTUXVRZRJV-QFIPXVFZSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164840455 720689584 /nfs/dbraw/zinc/68/95/84/720689584.db2.gz DZLHJTGTUOGGNJ-FQEVSTJZSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(Cl)cccc3n1)CC2 ZINC001164840457 720689014 /nfs/dbraw/zinc/68/90/14/720689014.db2.gz DZLHJTGTUOGGNJ-HXUWFJFHSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164842460 720677206 /nfs/dbraw/zinc/67/72/06/720677206.db2.gz RRBCRBOSNFQRTR-RUZDIDTESA-N 1 0 413.565 5.009 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164842466 720676346 /nfs/dbraw/zinc/67/63/46/720676346.db2.gz RRBCRBOSNFQRTR-VWLOTQADSA-N 1 0 413.565 5.009 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3ccccc3cc1Cl)CC2 ZINC001164842729 720681037 /nfs/dbraw/zinc/68/10/37/720681037.db2.gz MZHHXIVOHVCNOA-NRFANRHFSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3ccccc3cc1Cl)CC2 ZINC001164842731 720681837 /nfs/dbraw/zinc/68/18/37/720681837.db2.gz MZHHXIVOHVCNOA-OAQYLSRUSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3c(Cl)cccc31)CC2 ZINC001164843678 720687585 /nfs/dbraw/zinc/68/75/85/720687585.db2.gz QFMVYYCSWCWNSD-FQEVSTJZSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3c(Cl)cccc31)CC2 ZINC001164843681 720688136 /nfs/dbraw/zinc/68/81/36/720688136.db2.gz QFMVYYCSWCWNSD-HXUWFJFHSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164843810 720692556 /nfs/dbraw/zinc/69/25/56/720692556.db2.gz RBUITCJLLGXBNZ-NRFANRHFSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3cccc(Cl)c31)CC2 ZINC001164843812 720693649 /nfs/dbraw/zinc/69/36/49/720693649.db2.gz RBUITCJLLGXBNZ-OAQYLSRUSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164844268 720668425 /nfs/dbraw/zinc/66/84/25/720668425.db2.gz ZVABQUZXLCZNHR-JOCHJYFZSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC001164844269 720667682 /nfs/dbraw/zinc/66/76/82/720667682.db2.gz ZVABQUZXLCZNHR-QFIPXVFZSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164844568 720680548 /nfs/dbraw/zinc/68/05/48/720680548.db2.gz UPBJHTFKPRUCKC-JOCHJYFZSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3ccc(Cl)cc31)CC2 ZINC001164844569 720681291 /nfs/dbraw/zinc/68/12/91/720681291.db2.gz UPBJHTFKPRUCKC-QFIPXVFZSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3cccc(Cl)c3n1)CC2 ZINC001164844892 720682779 /nfs/dbraw/zinc/68/27/79/720682779.db2.gz VWOMDWIRXPYYCP-NRFANRHFSA-N 1 0 421.972 5.148 20 0 HKADRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3cccc(Cl)c3n1)CC2 ZINC001164844894 720683683 /nfs/dbraw/zinc/68/36/83/720683683.db2.gz VWOMDWIRXPYYCP-OAQYLSRUSA-N 1 0 421.972 5.148 20 0 HKADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c(Cl)ccc(Cl)c3n1)[C@H]2C ZINC001164856561 721017518 /nfs/dbraw/zinc/01/75/18/721017518.db2.gz AZPSCMLBWSAVRT-AWEZNQCLSA-N 1 0 418.372 5.160 20 0 HKADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc3c(Cl)ccc(Cl)c3n1)[C@@H]2C ZINC001164856572 721017361 /nfs/dbraw/zinc/01/73/61/721017361.db2.gz AZPSCMLBWSAVRT-CQSZACIVSA-N 1 0 418.372 5.160 20 0 HKADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(-c3ccccc3)cc(Cl)n1)[C@H]2C ZINC001164857040 720960200 /nfs/dbraw/zinc/96/02/00/720960200.db2.gz GBOCNDGHPGDITF-KRWDZBQOSA-N 1 0 409.965 5.020 20 0 HKADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(-c3ccccc3)cc(Cl)n1)[C@@H]2C ZINC001164857041 720961339 /nfs/dbraw/zinc/96/13/39/720961339.db2.gz GBOCNDGHPGDITF-QGZVFWFLSA-N 1 0 409.965 5.020 20 0 HKADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1-c1ccccc1)[C@H]2C ZINC001164859204 720957252 /nfs/dbraw/zinc/95/72/52/720957252.db2.gz LDIKXBZGNGVNKX-KRWDZBQOSA-N 1 0 409.965 5.020 20 0 HKADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(Cl)ccc1-c1ccccc1)[C@@H]2C ZINC001164859207 720957740 /nfs/dbraw/zinc/95/77/40/720957740.db2.gz LDIKXBZGNGVNKX-QGZVFWFLSA-N 1 0 409.965 5.020 20 0 HKADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3cc(Cl)ccc31)[C@H]2C ZINC001164859910 720948726 /nfs/dbraw/zinc/94/87/26/720948726.db2.gz OJFDFTMUJJMKGY-AWEZNQCLSA-N 1 0 418.372 5.160 20 0 HKADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3cc(Cl)ccc31)[C@@H]2C ZINC001164859913 720949546 /nfs/dbraw/zinc/94/95/46/720949546.db2.gz OJFDFTMUJJMKGY-CQSZACIVSA-N 1 0 418.372 5.160 20 0 HKADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1c(Cl)ccc3ccc(Cl)nc31)[C@H]2C ZINC001164861009 721017237 /nfs/dbraw/zinc/01/72/37/721017237.db2.gz MNOLWQHXDPLBJY-AWEZNQCLSA-N 1 0 418.372 5.160 20 0 HKADRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1c(Cl)ccc3ccc(Cl)nc31)[C@@H]2C ZINC001164861010 721017162 /nfs/dbraw/zinc/01/71/62/721017162.db2.gz MNOLWQHXDPLBJY-CQSZACIVSA-N 1 0 418.372 5.160 20 0 HKADRO Cc1ccc2nc(Cl)cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164951998 722015936 /nfs/dbraw/zinc/01/59/36/722015936.db2.gz FPDOLLNVIWEOME-UHFFFAOYSA-N 1 0 406.961 5.084 20 0 HKADRO Clc1ccc(-c2ccccc2)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164952191 722016812 /nfs/dbraw/zinc/01/68/12/722016812.db2.gz IWZKWFWGZSDITR-UHFFFAOYSA-N 1 0 418.972 5.290 20 0 HKADRO Clc1cc(-c2ccccc2)cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164953746 722016878 /nfs/dbraw/zinc/01/68/78/722016878.db2.gz XXDRMCHAEJFMPK-UHFFFAOYSA-N 1 0 418.972 5.290 20 0 HKADRO Cc1c(Cl)ccc2ccc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164955259 722020817 /nfs/dbraw/zinc/02/08/17/722020817.db2.gz CHPOEILGHWPVQS-UHFFFAOYSA-N 1 0 406.961 5.084 20 0 HKADRO Cc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955267 722020168 /nfs/dbraw/zinc/02/01/68/722020168.db2.gz CMKDFXNJUPXQLJ-UHFFFAOYSA-N 1 0 406.961 5.084 20 0 HKADRO Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc2cc(Cl)ccc12 ZINC001164955292 722019578 /nfs/dbraw/zinc/01/95/78/722019578.db2.gz DLAZMDSDMCDJAN-UHFFFAOYSA-N 1 0 406.961 5.084 20 0 HKADRO Cc1ccc2c(C)cc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc2c1C ZINC001164955627 722022244 /nfs/dbraw/zinc/02/22/44/722022244.db2.gz KWFLVJJCJKGLNA-UHFFFAOYSA-N 1 0 400.570 5.048 20 0 HKADRO Cc1csc2c1nc(Cl)cc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955689 722019796 /nfs/dbraw/zinc/01/97/96/722019796.db2.gz NILCKJGJUQVCIJ-UHFFFAOYSA-N 1 0 412.990 5.146 20 0 HKADRO Cc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955842 722018787 /nfs/dbraw/zinc/01/87/87/722018787.db2.gz OUORAFFKTGTLGF-UHFFFAOYSA-N 1 0 406.961 5.084 20 0 HKADRO Cc1ccc2cc(Cl)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2c1 ZINC001164955885 722019874 /nfs/dbraw/zinc/01/98/74/722019874.db2.gz QYTIFGULCJAKCN-UHFFFAOYSA-N 1 0 406.961 5.084 20 0 HKADRO Cc1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc2c(Cl)cccc12 ZINC001164956181 722020838 /nfs/dbraw/zinc/02/08/38/722020838.db2.gz XOHVUZRCQKPIMK-UHFFFAOYSA-N 1 0 406.961 5.084 20 0 HKADRO Cc1cccc2cc(Cl)nc(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164958045 722023956 /nfs/dbraw/zinc/02/39/56/722023956.db2.gz DVMUCMWAZDNPEE-UHFFFAOYSA-N 1 0 406.961 5.084 20 0 HKADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001164975447 722161185 /nfs/dbraw/zinc/16/11/85/722161185.db2.gz SVZMTEFJSNZGSW-UHFFFAOYSA-N 1 0 423.988 5.151 20 0 HKADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@H](OCC4CC4)[C@@H]3C2)nc1 ZINC001164978013 722171604 /nfs/dbraw/zinc/17/16/04/722171604.db2.gz OYQSWWMSHDGYGO-BGBNXGLDSA-N 1 0 417.597 5.330 20 0 HKADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3c4ccccc4[C@@H](OCC4CC4)[C@@H]3C2)nc1 ZINC001164978017 722171569 /nfs/dbraw/zinc/17/15/69/722171569.db2.gz OYQSWWMSHDGYGO-DLGLWYJGSA-N 1 0 417.597 5.330 20 0 HKADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[C@@H](OCC4CC4)c4ccccc4[C@H]3C2)nc1 ZINC001164978019 722171609 /nfs/dbraw/zinc/17/16/09/722171609.db2.gz OYQSWWMSHDGYGO-RAKSCHNQSA-N 1 0 417.597 5.330 20 0 HKADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[C@H](C2)c2ccccc2[C@H]3OCC2CC2)nc1 ZINC001164978021 722171593 /nfs/dbraw/zinc/17/15/93/722171593.db2.gz OYQSWWMSHDGYGO-SPGPFUFCSA-N 1 0 417.597 5.330 20 0 HKADRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc(-c4ccnc(Cl)c4)ccn2)C3)c1 ZINC001164992629 722196273 /nfs/dbraw/zinc/19/62/73/722196273.db2.gz AIDQMFFPPCKBGS-DEOSSOPVSA-N 1 0 422.935 5.181 20 0 HKADRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc(-c4ccnc(Cl)c4)ccn2)C3)c1 ZINC001164992633 722196172 /nfs/dbraw/zinc/19/61/72/722196172.db2.gz AIDQMFFPPCKBGS-XMMPIXPASA-N 1 0 422.935 5.181 20 0 HKADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001165000819 722221798 /nfs/dbraw/zinc/22/17/98/722221798.db2.gz ZNJYFZCMZOMDCV-JOCHJYFZSA-N 1 0 423.988 5.046 20 0 HKADRO CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001165000820 722221991 /nfs/dbraw/zinc/22/19/91/722221991.db2.gz ZNJYFZCMZOMDCV-QFIPXVFZSA-N 1 0 423.988 5.046 20 0 HKADRO Cc1cc(Cl)ncc1C(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165014236 721767112 /nfs/dbraw/zinc/76/71/12/721767112.db2.gz FRWZRNCUFVDZHU-UHFFFAOYSA-N 1 0 414.843 5.100 20 0 HKADRO Cc1ccc(Cl)nc1C(F)(F)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001165014633 721767269 /nfs/dbraw/zinc/76/72/69/721767269.db2.gz HTOQNCJLOQPNDE-UHFFFAOYSA-N 1 0 414.843 5.100 20 0 HKADRO Cc1ccc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc1Cl ZINC001165015003 721767321 /nfs/dbraw/zinc/76/73/21/721767321.db2.gz LOIYKTZJPVNRAL-UHFFFAOYSA-N 1 0 414.843 5.100 20 0 HKADRO Cc1cc(Cl)nc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)c1 ZINC001165015154 721767741 /nfs/dbraw/zinc/76/77/41/721767741.db2.gz MSJGZCFVSYOPRZ-UHFFFAOYSA-N 1 0 414.843 5.100 20 0 HKADRO Cc1cc(C(F)(F)N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)cc(Cl)n1 ZINC001165015977 721766749 /nfs/dbraw/zinc/76/67/49/721766749.db2.gz UQJINIWGBNIIKR-UHFFFAOYSA-N 1 0 414.843 5.100 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(Cl)cc43)C[C@H]21 ZINC001165018550 721807983 /nfs/dbraw/zinc/80/79/83/721807983.db2.gz BDWAQAZVIGMVAP-CDNPAEQRSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4ccc(Cl)cc43)C[C@@H]21 ZINC001165018551 721808113 /nfs/dbraw/zinc/80/81/13/721808113.db2.gz BDWAQAZVIGMVAP-OFAXGOBFSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(Cl)cc43)C[C@H]21 ZINC001165018552 721808182 /nfs/dbraw/zinc/80/81/82/721808182.db2.gz BDWAQAZVIGMVAP-SXSPYAJSSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4ccc(Cl)cc43)C[C@@H]21 ZINC001165018553 721808082 /nfs/dbraw/zinc/80/80/82/721808082.db2.gz BDWAQAZVIGMVAP-YFXJRYMSSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cc(Cl)ccc4n3)C[C@@H]21 ZINC001165018642 721803271 /nfs/dbraw/zinc/80/32/71/721803271.db2.gz BUGRKAOWOHSTRX-AVCGJXAMSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cc(Cl)ccc4n3)C[C@H]21 ZINC001165018644 721803129 /nfs/dbraw/zinc/80/31/29/721803129.db2.gz BUGRKAOWOHSTRX-JMUQELJHSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cc(Cl)ccc4n3)C[C@H]21 ZINC001165018646 721803210 /nfs/dbraw/zinc/80/32/10/721803210.db2.gz BUGRKAOWOHSTRX-QTGUNEKASA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cc(Cl)ccc4n3)C[C@@H]21 ZINC001165018648 721803275 /nfs/dbraw/zinc/80/32/75/721803275.db2.gz BUGRKAOWOHSTRX-RZFNWQHOSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4cccc(F)c43)C[C@H]21 ZINC001165019113 721832128 /nfs/dbraw/zinc/83/21/28/721832128.db2.gz AYKYJNZHNGTJRZ-FBBABVLZSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4cccc(F)c43)C[C@@H]21 ZINC001165019120 721832287 /nfs/dbraw/zinc/83/22/87/721832287.db2.gz AYKYJNZHNGTJRZ-HFSMHLIXSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4cccc(F)c43)C[C@@H]21 ZINC001165019123 721832323 /nfs/dbraw/zinc/83/23/23/721832323.db2.gz AYKYJNZHNGTJRZ-SLYNCCJLSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4cccc(F)c43)C[C@H]21 ZINC001165019127 721832300 /nfs/dbraw/zinc/83/23/00/721832300.db2.gz AYKYJNZHNGTJRZ-YFVAEKQCSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4c(Cl)cccc43)C[C@H]21 ZINC001165019723 721810652 /nfs/dbraw/zinc/81/06/52/721810652.db2.gz BLVHZGVSBBXVCK-AMHTUMDSSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4c(Cl)cccc43)C[C@@H]21 ZINC001165019725 721810714 /nfs/dbraw/zinc/81/07/14/721810714.db2.gz BLVHZGVSBBXVCK-FRGLQRNOSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4c(Cl)cccc43)C[C@@H]21 ZINC001165019728 721810737 /nfs/dbraw/zinc/81/07/37/721810737.db2.gz BLVHZGVSBBXVCK-JWNTYJGQSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4c(Cl)cccc43)C[C@H]21 ZINC001165019730 721810636 /nfs/dbraw/zinc/81/06/36/721810636.db2.gz BLVHZGVSBBXVCK-ODOSVJCGSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc(F)c(Cl)cc43)C[C@@H]21 ZINC001165019794 721829279 /nfs/dbraw/zinc/82/92/79/721829279.db2.gz CCSJZRVVSWDTMD-DHJUGAMNSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc(F)c(Cl)cc43)C[C@H]21 ZINC001165019795 721829173 /nfs/dbraw/zinc/82/91/73/721829173.db2.gz CCSJZRVVSWDTMD-HCLVMJGWSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc(F)c(Cl)cc43)C[C@@H]21 ZINC001165019796 721829208 /nfs/dbraw/zinc/82/92/08/721829208.db2.gz CCSJZRVVSWDTMD-KPDCDPCYSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc(F)c(Cl)cc43)C[C@H]21 ZINC001165019797 721829373 /nfs/dbraw/zinc/82/93/73/721829373.db2.gz CCSJZRVVSWDTMD-XTQVGHSUSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc(Cl)cc4n3)C[C@@H]21 ZINC001165019899 721817391 /nfs/dbraw/zinc/81/73/91/721817391.db2.gz CBWRXHQQJOVPCJ-AVCGJXAMSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc(Cl)cc4n3)C[C@H]21 ZINC001165019902 721817726 /nfs/dbraw/zinc/81/77/26/721817726.db2.gz CBWRXHQQJOVPCJ-JMUQELJHSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4ccc(Cl)cc4n3)C[C@H]21 ZINC001165019907 721817399 /nfs/dbraw/zinc/81/73/99/721817399.db2.gz CBWRXHQQJOVPCJ-QTGUNEKASA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4ccc(Cl)cc4n3)C[C@@H]21 ZINC001165019910 721817425 /nfs/dbraw/zinc/81/74/25/721817425.db2.gz CBWRXHQQJOVPCJ-RZFNWQHOSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc(Cl)c4n3)C[C@H]21 ZINC001165020497 721808395 /nfs/dbraw/zinc/80/83/95/721808395.db2.gz FUZRENADTAYFAK-CZTZKLFOSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc(Cl)c4n3)C[C@@H]21 ZINC001165020500 721808935 /nfs/dbraw/zinc/80/89/35/721808935.db2.gz FUZRENADTAYFAK-KAGYGMCKSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4cccc(Cl)c4n3)C[C@@H]21 ZINC001165020503 721808866 /nfs/dbraw/zinc/80/88/66/721808866.db2.gz FUZRENADTAYFAK-RCZSKKKRSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4cccc(Cl)c4n3)C[C@H]21 ZINC001165020507 721808931 /nfs/dbraw/zinc/80/89/31/721808931.db2.gz FUZRENADTAYFAK-SYYKKAFVSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4sccc43)C[C@H]21 ZINC001165023275 721808192 /nfs/dbraw/zinc/80/81/92/721808192.db2.gz IVKFDYPJZYAINF-ATZDWAIDSA-N 1 0 412.990 5.082 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4sccc43)C[C@@H]21 ZINC001165023276 721808110 /nfs/dbraw/zinc/80/81/10/721808110.db2.gz IVKFDYPJZYAINF-AYOQOUSVSA-N 1 0 412.990 5.082 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4sccc43)C[C@H]21 ZINC001165023277 721807973 /nfs/dbraw/zinc/80/79/73/721807973.db2.gz IVKFDYPJZYAINF-KFKAGJAMSA-N 1 0 412.990 5.082 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4sccc43)C[C@@H]21 ZINC001165023278 721808230 /nfs/dbraw/zinc/80/82/30/721808230.db2.gz IVKFDYPJZYAINF-ZYSHUDEJSA-N 1 0 412.990 5.082 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4cc(F)ccc43)C[C@H]21 ZINC001165024727 721798811 /nfs/dbraw/zinc/79/88/11/721798811.db2.gz MRRWVIIDXHXHCP-KNXBSLHKSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4cc(F)ccc43)C[C@H]21 ZINC001165024732 721798575 /nfs/dbraw/zinc/79/85/75/721798575.db2.gz MRRWVIIDXHXHCP-NPFVIJTESA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4cc(F)ccc43)C[C@@H]21 ZINC001165024735 721798702 /nfs/dbraw/zinc/79/87/02/721798702.db2.gz MRRWVIIDXHXHCP-URZJWIJPSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4cc(F)ccc43)C[C@@H]21 ZINC001165024738 721798607 /nfs/dbraw/zinc/79/86/07/721798607.db2.gz MRRWVIIDXHXHCP-WQTXXOFMSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4cc3Cl)C[C@@H]21 ZINC001165024996 721808483 /nfs/dbraw/zinc/80/84/83/721808483.db2.gz NAAGGMCPJSZBEY-GREBRCKQSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4ccccc4cc3Cl)C[C@H]21 ZINC001165024997 721808597 /nfs/dbraw/zinc/80/85/97/721808597.db2.gz NAAGGMCPJSZBEY-JXHRLWIKSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4cc3Cl)C[C@H]21 ZINC001165024998 721808373 /nfs/dbraw/zinc/80/83/73/721808373.db2.gz NAAGGMCPJSZBEY-KKLQWCBXSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4ccccc4cc3Cl)C[C@@H]21 ZINC001165024999 721808532 /nfs/dbraw/zinc/80/85/32/721808532.db2.gz NAAGGMCPJSZBEY-QMHWCDLVSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c(F)cccc34)C[C@H]21 ZINC001165025146 721830504 /nfs/dbraw/zinc/83/05/04/721830504.db2.gz LZPORMPBRJPCBV-LDQXTDLNSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c(F)cccc34)C[C@@H]21 ZINC001165025149 721830585 /nfs/dbraw/zinc/83/05/85/721830585.db2.gz LZPORMPBRJPCBV-LKUPVBHCSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4c(F)cccc34)C[C@@H]21 ZINC001165025151 721830455 /nfs/dbraw/zinc/83/04/55/721830455.db2.gz LZPORMPBRJPCBV-NBHGPNQESA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4c(F)cccc34)C[C@H]21 ZINC001165025153 721830683 /nfs/dbraw/zinc/83/06/83/721830683.db2.gz LZPORMPBRJPCBV-OZOXKJRCSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4ccc(F)cc43)C[C@@H]21 ZINC001165025828 721806562 /nfs/dbraw/zinc/80/65/62/721806562.db2.gz PISDRKZEQCERMH-BULFRSBZSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc4ccc(F)cc43)C[C@H]21 ZINC001165025829 721806428 /nfs/dbraw/zinc/80/64/28/721806428.db2.gz PISDRKZEQCERMH-MTNREXPMSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4ccc(F)cc43)C[C@@H]21 ZINC001165025830 721806454 /nfs/dbraw/zinc/80/64/54/721806454.db2.gz PISDRKZEQCERMH-VOQZNFBZSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc4ccc(F)cc43)C[C@H]21 ZINC001165025831 721806539 /nfs/dbraw/zinc/80/65/39/721806539.db2.gz PISDRKZEQCERMH-ZPMCFJSWSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)cc4ccc(Cl)nc43)C[C@H]21 ZINC001165026824 721812705 /nfs/dbraw/zinc/81/27/05/721812705.db2.gz RNPOVZTZZFZYSM-DUXKGJEZSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(F)cc4ccc(Cl)nc43)C[C@@H]21 ZINC001165026825 721812821 /nfs/dbraw/zinc/81/28/21/721812821.db2.gz RNPOVZTZZFZYSM-DZFGPLHGSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(F)cc4ccc(Cl)nc43)C[C@H]21 ZINC001165026826 721812885 /nfs/dbraw/zinc/81/28/85/721812885.db2.gz RNPOVZTZZFZYSM-IOMROCGXSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(F)cc4ccc(Cl)nc43)C[C@@H]21 ZINC001165026827 721812764 /nfs/dbraw/zinc/81/27/64/721812764.db2.gz RNPOVZTZZFZYSM-JRGCBEDISA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc(Cl)ccc43)C[C@H]21 ZINC001165027232 721807995 /nfs/dbraw/zinc/80/79/95/721807995.db2.gz USHCPTRMOIFZRB-CDNPAEQRSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cc(Cl)ccc43)C[C@@H]21 ZINC001165027233 721808238 /nfs/dbraw/zinc/80/82/38/721808238.db2.gz USHCPTRMOIFZRB-OFAXGOBFSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc(Cl)ccc43)C[C@H]21 ZINC001165027234 721808186 /nfs/dbraw/zinc/80/81/86/721808186.db2.gz USHCPTRMOIFZRB-SXSPYAJSSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cc(Cl)ccc43)C[C@@H]21 ZINC001165027235 721808085 /nfs/dbraw/zinc/80/80/85/721808085.db2.gz USHCPTRMOIFZRB-YFXJRYMSSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccccc43)C[C@H]21 ZINC001165027403 721798671 /nfs/dbraw/zinc/79/86/71/721798671.db2.gz VRPNBHKTKUDIFD-NQSCKRDGSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccccc43)C[C@@H]21 ZINC001165027408 721798815 /nfs/dbraw/zinc/79/88/15/721798815.db2.gz VRPNBHKTKUDIFD-PIPMEXSNSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccccc43)C[C@@H]21 ZINC001165027412 721798764 /nfs/dbraw/zinc/79/87/64/721798764.db2.gz VRPNBHKTKUDIFD-RBDMOPTHSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccccc43)C[C@H]21 ZINC001165027417 721798566 /nfs/dbraw/zinc/79/85/66/721798566.db2.gz VRPNBHKTKUDIFD-UCNVEGJOSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(Cl)ccc(F)c4n3)C[C@H]21 ZINC001165027537 721829818 /nfs/dbraw/zinc/82/98/18/721829818.db2.gz SNLIZWLCDPVBNT-DKZVUGQWSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(Cl)ccc(F)c4n3)C[C@@H]21 ZINC001165027540 721830264 /nfs/dbraw/zinc/83/02/64/721830264.db2.gz SNLIZWLCDPVBNT-GTCCEBARSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(Cl)ccc(F)c4n3)C[C@@H]21 ZINC001165027542 721830011 /nfs/dbraw/zinc/83/00/11/721830011.db2.gz SNLIZWLCDPVBNT-XWFZLUIHSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(Cl)ccc(F)c4n3)C[C@H]21 ZINC001165027544 721830130 /nfs/dbraw/zinc/83/01/30/721830130.db2.gz SNLIZWLCDPVBNT-ZWDAVXSWSA-N 1 0 424.951 5.159 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cccc(Cl)c43)C[C@H]21 ZINC001165027699 721813490 /nfs/dbraw/zinc/81/34/90/721813490.db2.gz VOKZKIDINNIFJZ-CZTZKLFOSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cccc(Cl)c43)C[C@@H]21 ZINC001165027705 721813747 /nfs/dbraw/zinc/81/37/47/721813747.db2.gz VOKZKIDINNIFJZ-KAGYGMCKSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nccc4cccc(Cl)c43)C[C@@H]21 ZINC001165027710 721813567 /nfs/dbraw/zinc/81/35/67/721813567.db2.gz VOKZKIDINNIFJZ-RCZSKKKRSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccc4cccc(Cl)c43)C[C@H]21 ZINC001165027715 721813669 /nfs/dbraw/zinc/81/36/69/721813669.db2.gz VOKZKIDINNIFJZ-SYYKKAFVSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccsc43)C[C@@H]21 ZINC001165028729 721808345 /nfs/dbraw/zinc/80/83/45/721808345.db2.gz ZPOFXGKHFOOSLH-HHXXYDBFSA-N 1 0 412.990 5.082 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccsc43)C[C@H]21 ZINC001165028735 721808577 /nfs/dbraw/zinc/80/85/77/721808577.db2.gz ZPOFXGKHFOOSLH-KVSKMBFKSA-N 1 0 412.990 5.082 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(Cl)nc4ccsc43)C[C@H]21 ZINC001165028739 721808467 /nfs/dbraw/zinc/80/84/67/721808467.db2.gz ZPOFXGKHFOOSLH-SZVBFZGTSA-N 1 0 412.990 5.082 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(Cl)nc4ccsc43)C[C@@H]21 ZINC001165028746 721808547 /nfs/dbraw/zinc/80/85/47/721808547.db2.gz ZPOFXGKHFOOSLH-VDZJLULYSA-N 1 0 412.990 5.082 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(Cl)cccc4n3)C[C@@H]21 ZINC001165029320 721810672 /nfs/dbraw/zinc/81/06/72/721810672.db2.gz YRPRNNICNJFEEW-DHJUGAMNSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(Cl)cccc4n3)C[C@H]21 ZINC001165029326 721810787 /nfs/dbraw/zinc/81/07/87/721810787.db2.gz YRPRNNICNJFEEW-HCLVMJGWSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(Cl)cccc4n3)C[C@@H]21 ZINC001165029329 721810644 /nfs/dbraw/zinc/81/06/44/721810644.db2.gz YRPRNNICNJFEEW-KPDCDPCYSA-N 1 0 406.961 5.020 20 0 HKADRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(Cl)cccc4n3)C[C@H]21 ZINC001165029334 721810688 /nfs/dbraw/zinc/81/06/88/721810688.db2.gz YRPRNNICNJFEEW-XTQVGHSUSA-N 1 0 406.961 5.020 20 0 HKADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(Oc3ccc(F)cc3Cl)CC2)nc1 ZINC001165033342 721880392 /nfs/dbraw/zinc/88/03/92/721880392.db2.gz PKZFTYRLWTUIGQ-NRFANRHFSA-N 1 0 417.956 5.469 20 0 HKADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(Oc3ccc(F)cc3Cl)CC2)nc1 ZINC001165033348 721880394 /nfs/dbraw/zinc/88/03/94/721880394.db2.gz PKZFTYRLWTUIGQ-OAQYLSRUSA-N 1 0 417.956 5.469 20 0 HKADRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N(Cc2cccnc2)Cc2ccccn2)nc1 ZINC001165039070 721881607 /nfs/dbraw/zinc/88/16/07/721881607.db2.gz WXUIGTYUMOVRSV-DEOSSOPVSA-N 1 0 401.558 5.015 20 0 HKADRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(Cc2cccnc2)Cc2ccccn2)nc1 ZINC001165039073 721881633 /nfs/dbraw/zinc/88/16/33/721881633.db2.gz WXUIGTYUMOVRSV-XMMPIXPASA-N 1 0 401.558 5.015 20 0 HKADRO CC(C)c1ccc(-c2cc(C(F)(F)N3CCC(C[NH+](C)C)CC3)c(Cl)nn2)cc1 ZINC001165042353 721951573 /nfs/dbraw/zinc/95/15/73/721951573.db2.gz KXLZNMOWOVFJLZ-UHFFFAOYSA-N 1 0 422.951 5.243 20 0 HKADRO CC(C)c1ccc(-c2cc(C(F)(F)N(C)CC3CC[NH+](C)CC3)c(Cl)nn2)cc1 ZINC001165044104 721939548 /nfs/dbraw/zinc/93/95/48/721939548.db2.gz IHFDMRQFALQDPQ-UHFFFAOYSA-N 1 0 422.951 5.243 20 0 HKADRO C[NH+](C)CC1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 ZINC001165044898 721950342 /nfs/dbraw/zinc/95/03/42/721950342.db2.gz KEDVZZTWYKWWSA-UHFFFAOYSA-N 1 0 415.368 5.382 20 0 HKADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165046626 721977417 /nfs/dbraw/zinc/97/74/17/721977417.db2.gz BLTAWGBRRHQRDB-IBGZPJMESA-N 1 0 420.935 5.187 20 0 HKADRO FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165046627 721977325 /nfs/dbraw/zinc/97/73/25/721977325.db2.gz BLTAWGBRRHQRDB-LJQANCHMSA-N 1 0 420.935 5.187 20 0 HKADRO c1cc(C2OCCCO2)ccc1-c1ccc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1 ZINC001165047167 721973853 /nfs/dbraw/zinc/97/38/53/721973853.db2.gz DWTDQXLAEUFWCT-DEOSSOPVSA-N 1 0 421.585 5.029 20 0 HKADRO c1cc(C2OCCCO2)ccc1-c1ccc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1 ZINC001165047182 721973982 /nfs/dbraw/zinc/97/39/82/721973982.db2.gz DWTDQXLAEUFWCT-XMMPIXPASA-N 1 0 421.585 5.029 20 0 HKADRO CN(C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1)C12CC3CC(CC(C3)C1)C2 ZINC001165048109 721986516 /nfs/dbraw/zinc/98/65/16/721986516.db2.gz JDIOTDRKCRCXSE-UHFFFAOYSA-N 1 0 407.936 5.062 20 0 HKADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048765 721977447 /nfs/dbraw/zinc/97/74/47/721977447.db2.gz KZEYMUAAUYRTSS-IBGZPJMESA-N 1 0 420.935 5.187 20 0 HKADRO FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048766 721977509 /nfs/dbraw/zinc/97/75/09/721977509.db2.gz KZEYMUAAUYRTSS-LJQANCHMSA-N 1 0 420.935 5.187 20 0 HKADRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nc1 ZINC001165050710 721989311 /nfs/dbraw/zinc/98/93/11/721989311.db2.gz JSACIWNQXLIOPO-NRFANRHFSA-N 1 0 406.599 5.622 20 0 HKADRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC(c3nc4ccccc4s3)CC2)nc1 ZINC001165050711 721989461 /nfs/dbraw/zinc/98/94/61/721989461.db2.gz JSACIWNQXLIOPO-OAQYLSRUSA-N 1 0 406.599 5.622 20 0 HKADRO CC[NH+](CC)C1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC001165053082 722005410 /nfs/dbraw/zinc/00/54/10/722005410.db2.gz HTTKIJVWJIQDEL-UHFFFAOYSA-N 1 0 400.979 5.322 20 0 HKADRO CC[NH+](CC)C1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(OC)c3)c2)CC1 ZINC001165053653 722007715 /nfs/dbraw/zinc/00/77/15/722007715.db2.gz CEHUPCQYPYCCEI-UHFFFAOYSA-N 1 0 423.935 5.266 20 0 HKADRO CC[NH+](CC)C1CCN(c2nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC001165053870 722002840 /nfs/dbraw/zinc/00/28/40/722002840.db2.gz QXYIEUUPJWINBB-UHFFFAOYSA-N 1 0 421.976 5.170 20 0 HKADRO CC[NH+](CC)C1CCN(C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)CC1 ZINC001165054088 722006898 /nfs/dbraw/zinc/00/68/98/722006898.db2.gz IHGFJCILSVBZMP-UHFFFAOYSA-N 1 0 411.899 5.397 20 0 HKADRO CC[NH+](CC)C1CCN(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CC1 ZINC001165054104 722006720 /nfs/dbraw/zinc/00/67/20/722006720.db2.gz IUHIMQIDFLZQAU-UHFFFAOYSA-N 1 0 411.899 5.397 20 0 HKADRO CC[NH+](CC)C1CCN(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)CC1 ZINC001165054613 722006771 /nfs/dbraw/zinc/00/67/71/722006771.db2.gz TZVXYHOXICGNGK-UHFFFAOYSA-N 1 0 411.899 5.397 20 0 HKADRO CC[NH+](CC)C1CCN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)CC1 ZINC001165054720 722006292 /nfs/dbraw/zinc/00/62/92/722006292.db2.gz ZJSTXEAMQVGJAJ-UHFFFAOYSA-N 1 0 423.935 5.170 20 0 HKADRO