smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c(=O)oc2c1 ZINC000000900946 551564944 /nfs/dbraw/zinc/56/49/44/551564944.db2.gz ITRPDUMPPKZTNR-UHFFFAOYSA-N 0 1 521.599 4.099 40 0 KIABMN O=C(CSc1nc(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)n[nH]1)N1CCCc2ccccc21 ZINC000000931448 551584460 /nfs/dbraw/zinc/58/44/60/551584460.db2.gz RPQYNMDXRLDFRJ-UHFFFAOYSA-N 0 1 511.673 4.154 40 0 KIABMN COc1cc(C2=N/C(=C/c3cc(Br)cc(Br)c3O)C(=O)O2)cc(OC)c1OC ZINC000001041651 551599139 /nfs/dbraw/zinc/59/91/39/551599139.db2.gz XQOHYTHVVKVNFN-WLRTZDKTSA-N 0 1 513.138 4.288 40 0 KIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000001093504 551607251 /nfs/dbraw/zinc/60/72/51/551607251.db2.gz SPKLIWBHXHLUJB-UHFFFAOYSA-N 0 1 599.662 4.478 40 0 KIABMN Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(S(=O)(=O)N5CCCC[C@H]5C)cc4)CC3)[nH]c2c1 ZINC000001327637 551644019 /nfs/dbraw/zinc/64/40/19/551644019.db2.gz OOTSLSNJIJKQIT-LJQANCHMSA-N 0 1 516.689 4.003 40 0 KIABMN Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(S(=O)(=O)N5CCCC[C@@H]5C)cc4)CC3)[nH]c2c1 ZINC000001327641 551643973 /nfs/dbraw/zinc/64/39/73/551643973.db2.gz OOTSLSNJIJKQIT-IBGZPJMESA-N 0 1 516.689 4.003 40 0 KIABMN O=S(=O)(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000001327673 551643980 /nfs/dbraw/zinc/64/39/80/551643980.db2.gz GOEWJBQWBXBEOC-UHFFFAOYSA-N 0 1 537.107 4.349 40 0 KIABMN Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(S(=O)(=O)NC5CCCCC5)cc4)CC3)[nH]c2c1 ZINC000001327691 551643968 /nfs/dbraw/zinc/64/39/68/551643968.db2.gz HIUHNBNWXFAPSF-UHFFFAOYSA-N 0 1 516.689 4.051 40 0 KIABMN O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000001327695 551644024 /nfs/dbraw/zinc/64/40/24/551644024.db2.gz SFOLGIRLRVPSDU-UHFFFAOYSA-N 0 1 537.107 4.396 40 0 KIABMN COc1ccc(C(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000001372689 551651284 /nfs/dbraw/zinc/65/12/84/551651284.db2.gz CFGOUTDNHZVVJE-UHFFFAOYSA-N 0 1 517.489 4.051 40 0 KIABMN COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000001372740 551651297 /nfs/dbraw/zinc/65/12/97/551651297.db2.gz KXJLDMUZIHDKFO-UHFFFAOYSA-N 0 1 520.615 4.086 40 0 KIABMN Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000001372801 551651220 /nfs/dbraw/zinc/65/12/20/551651220.db2.gz FVYPSSVHYSEUGX-UHFFFAOYSA-N 0 1 504.616 4.386 40 0 KIABMN COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000001372806 551651207 /nfs/dbraw/zinc/65/12/07/551651207.db2.gz WPKJBDDYZRGDNC-UHFFFAOYSA-N 0 1 520.615 4.086 40 0 KIABMN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374880 551655333 /nfs/dbraw/zinc/65/53/33/551655333.db2.gz HBTIHHSIPZOKRO-QHCPKHFHSA-N 0 1 504.591 4.213 40 0 KIABMN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374881 551655408 /nfs/dbraw/zinc/65/54/08/551655408.db2.gz HBTIHHSIPZOKRO-HSZRJFAPSA-N 0 1 504.591 4.213 40 0 KIABMN CC[C@@H](c1nnnn1Cc1ccco1)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374980 551655932 /nfs/dbraw/zinc/65/59/32/551655932.db2.gz GSDRLNUWICNDSM-QHCPKHFHSA-N 0 1 506.607 4.459 40 0 KIABMN CC[C@H](c1nnnn1Cc1ccco1)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374981 551656023 /nfs/dbraw/zinc/65/60/23/551656023.db2.gz GSDRLNUWICNDSM-HSZRJFAPSA-N 0 1 506.607 4.459 40 0 KIABMN COc1ccc(C(=O)Cn2nnc(-c3ccccc3NS(=O)(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000001376103 551657795 /nfs/dbraw/zinc/65/77/95/551657795.db2.gz MUWVEDLOFVEHND-UHFFFAOYSA-N 0 1 505.600 4.330 40 0 KIABMN CC(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H](CC(C)C)N[C@@]4(c5ccccc5N(Cc5ccc(F)cc5)C4=O)[C@@H]3C2=O)cc1 ZINC000001424377 551669303 /nfs/dbraw/zinc/66/93/03/551669303.db2.gz JSPMUFWEVAPLAK-MKANCYJNSA-N 0 1 554.622 4.350 40 0 KIABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@]2(C)CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@H]2[C@@H]3C)cc1 ZINC000003839986 552420029 /nfs/dbraw/zinc/42/00/29/552420029.db2.gz YKLHGIYGEHQCMM-NBLTZDEPSA-N 0 1 503.646 4.156 40 0 biogenic,in-vitro KIABMN Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 ZINC000003961873 552423917 /nfs/dbraw/zinc/42/39/17/552423917.db2.gz KSNHHKZYKYNBEI-NDEPHWFRSA-N 0 1 600.793 4.271 40 0 in-vitro KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C\c4ccc(Cl)cc4)C3=O)cc2)n1 ZINC000004417466 552459764 /nfs/dbraw/zinc/45/97/64/552459764.db2.gz NXDLFXJLLBWRTG-NDENLUEZSA-N 0 1 558.041 4.223 40 0 KIABMN O=C(c1cc(OCCN2CCN(c3ccccc3)CC2)nc2ccccc21)N1CCN(c2ccccc2)CC1 ZINC000004823170 552487758 /nfs/dbraw/zinc/48/77/58/552487758.db2.gz IKBRINNJFWSVFG-UHFFFAOYSA-N 0 1 521.665 4.398 40 0 KIABMN CSc1nn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=S ZINC000005386268 552500412 /nfs/dbraw/zinc/50/04/12/552500412.db2.gz SYAMVUMWPINMJM-JTKRFKOTSA-N 0 1 619.677 4.228 40 0 KIABMN CSc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=S ZINC000005386270 552500339 /nfs/dbraw/zinc/50/03/39/552500339.db2.gz SYAMVUMWPINMJM-NZCWTCFWSA-N 0 1 619.677 4.228 40 0 KIABMN CSc1nn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=S ZINC000005386272 552500280 /nfs/dbraw/zinc/50/02/80/552500280.db2.gz SYAMVUMWPINMJM-LNEBKTTKSA-N 0 1 619.677 4.228 40 0 KIABMN CSc1nn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=S ZINC000005386274 552500291 /nfs/dbraw/zinc/50/02/91/552500291.db2.gz SYAMVUMWPINMJM-DUOVIKOCSA-N 0 1 619.677 4.228 40 0 KIABMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460372 552502571 /nfs/dbraw/zinc/50/25/71/552502571.db2.gz KXMFWNGNCOAOAG-VSGBNLITSA-N 0 1 584.629 4.197 40 0 KIABMN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460381 552502594 /nfs/dbraw/zinc/50/25/94/552502594.db2.gz KXMFWNGNCOAOAG-WUFINQPMSA-N 0 1 584.629 4.197 40 0 KIABMN COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460384 552502600 /nfs/dbraw/zinc/50/26/00/552502600.db2.gz KXMFWNGNCOAOAG-IZLXSDGUSA-N 0 1 584.629 4.197 40 0 KIABMN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460391 552502642 /nfs/dbraw/zinc/50/26/42/552502642.db2.gz KXMFWNGNCOAOAG-NSOVKSMOSA-N 0 1 584.629 4.197 40 0 KIABMN CC(C)[NH2+]C[C@H](O)COc1ccc(CCOC(=O)CCc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)cc1 ZINC000005759733 552508880 /nfs/dbraw/zinc/50/88/80/552508880.db2.gz BNSQNHMMTDIEOX-NRFANRHFSA-N 0 1 551.524 4.455 40 0 KIABMN CC(C)[NH2+]C[C@@H](O)COc1ccc(CCOC(=O)CCc2ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc2)cc1 ZINC000005759734 552508856 /nfs/dbraw/zinc/50/88/56/552508856.db2.gz BNSQNHMMTDIEOX-OAQYLSRUSA-N 0 1 551.524 4.455 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN3C(=O)S/C(=C\c4ccc(Br)cc4)C3=O)cc2)n1 ZINC000006088832 552530687 /nfs/dbraw/zinc/53/06/87/552530687.db2.gz KQVXXRCHMOZVKK-NDENLUEZSA-N 0 1 602.492 4.332 40 0 KIABMN COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000006287939 552578407 /nfs/dbraw/zinc/57/84/07/552578407.db2.gz RMYAKLINESAIOL-UHFFFAOYSA-N 0 1 542.297 4.099 40 0 KIABMN O=C(NCc1ccc2c(c1)OCO2)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000008299167 1064277769 /nfs/dbraw/zinc/27/77/69/1064277769.db2.gz STXQGRSONBUOHJ-PFBJBMPXSA-N 0 1 521.621 4.368 40 0 biogenic,in-vitro KIABMN COC(=O)c1cccc(NC(=S)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccccc3OC)nn2C)c1 ZINC000008636179 553105213 /nfs/dbraw/zinc/10/52/13/553105213.db2.gz VDCVFKSBDNHIPE-ZEYPLWLESA-N 0 1 519.671 4.047 40 0 biogenic,in-vitro KIABMN COc1cc(C2=N/C(=C\c3cc(Br)cc(Br)c3O)C(=O)O2)cc(OC)c1OC ZINC000008642198 553106149 /nfs/dbraw/zinc/10/61/49/553106149.db2.gz XQOHYTHVVKVNFN-ACAGNQJTSA-N 0 1 513.138 4.288 40 0 KIABMN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccccc1N1CCN(C)CC1 ZINC000008833238 553159840 /nfs/dbraw/zinc/15/98/40/553159840.db2.gz JVMWZLOVHDXOJW-UHFFFAOYSA-N 0 1 513.461 4.490 40 0 KIABMN CC(C)C[C@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000008868131 553170778 /nfs/dbraw/zinc/17/07/78/553170778.db2.gz NZAMWYOVJPKKPX-IUZLCTNASA-N 0 1 511.597 4.387 40 0 KIABMN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCN(C)CC2)cc1 ZINC000008898277 553180109 /nfs/dbraw/zinc/18/01/09/553180109.db2.gz IWPZHXVCXVUNRO-UHFFFAOYSA-N 0 1 513.461 4.490 40 0 KIABMN COc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000009062616 553205047 /nfs/dbraw/zinc/20/50/47/553205047.db2.gz QRBGKNDSCSGXQH-UHFFFAOYSA-N 0 1 506.068 4.374 40 0 KIABMN COc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000009062641 553205217 /nfs/dbraw/zinc/20/52/17/553205217.db2.gz JCSKDHVSMNIVRC-UHFFFAOYSA-N 0 1 506.068 4.374 40 0 KIABMN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000009062672 553205232 /nfs/dbraw/zinc/20/52/32/553205232.db2.gz NIDREGHCPZGZBT-UHFFFAOYSA-N 0 1 506.068 4.374 40 0 KIABMN COc1ccc(OC)c(C(O)=C2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009087824 553208681 /nfs/dbraw/zinc/20/86/81/553208681.db2.gz DKZLILOJMLTBJU-NSBPXKJOSA-N 0 1 512.537 4.405 40 0 KIABMN COc1ccc(OC)c(C(O)=C2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009087825 553208754 /nfs/dbraw/zinc/20/87/54/553208754.db2.gz DKZLILOJMLTBJU-KMFVSHEXSA-N 0 1 512.537 4.405 40 0 KIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000009973429 553323255 /nfs/dbraw/zinc/32/32/55/553323255.db2.gz LCEOPQVGBIDYRW-OVCLIPMQSA-N 0 1 512.584 4.482 40 0 KIABMN O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000011024182 553338428 /nfs/dbraw/zinc/33/84/28/553338428.db2.gz XXOMJZGWUNFEBR-UHFFFAOYSA-N 0 1 584.124 4.007 40 0 KIABMN CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(N[C@H]2CCSC)c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000012420029 553365840 /nfs/dbraw/zinc/36/58/40/553365840.db2.gz IAIXAIAYQAHPPU-XGKIYDHQSA-N 0 1 512.075 4.208 40 0 KIABMN CCCCN1C(=O)[C@H]2[C@@H](CCSC)N[C@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@@H]2C1=O ZINC000012420035 553365824 /nfs/dbraw/zinc/36/58/24/553365824.db2.gz IAIXAIAYQAHPPU-RLYAYYKLSA-N 0 1 512.075 4.208 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)cc(Br)cc3C)cc2)n1 ZINC000012489691 553380064 /nfs/dbraw/zinc/38/00/64/553380064.db2.gz ZYQUNPWXQFKEQJ-UHFFFAOYSA-N 0 1 519.421 4.291 40 0 KIABMN CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000012508146 553382384 /nfs/dbraw/zinc/38/23/84/553382384.db2.gz ANFMDKLZVFZSMK-UHFFFAOYSA-N 0 1 508.644 4.120 40 0 KIABMN O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000012876948 553424913 /nfs/dbraw/zinc/42/49/13/553424913.db2.gz WVBQTFKKKJQKGU-UHFFFAOYSA-N 0 1 523.080 4.006 40 0 KIABMN COc1ccc(Cn2nnnc2[C@@H](C(C)C)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)cc1 ZINC000013500688 553466105 /nfs/dbraw/zinc/46/61/05/553466105.db2.gz HFJAXWQTQKKJCO-HHHXNRCGSA-N 0 1 530.629 4.442 40 0 KIABMN COc1ccc(Cn2nnnc2[C@H](C(C)C)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)cc1 ZINC000013500689 553466115 /nfs/dbraw/zinc/46/61/15/553466115.db2.gz HFJAXWQTQKKJCO-MHZLTWQESA-N 0 1 530.629 4.442 40 0 KIABMN COc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4ccc5c(c4)OCO5)cc23)cc1OC ZINC000013564732 553472229 /nfs/dbraw/zinc/47/22/29/553472229.db2.gz YAUUCRFSDMSHPX-UHFFFAOYSA-N 0 1 510.550 4.417 40 0 KIABMN CCOC(=O)C1C(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000013565846 553473489 /nfs/dbraw/zinc/47/34/89/553473489.db2.gz XCMGVMZZXNHNBO-JFLZEIQHSA-N 0 1 513.997 4.165 40 0 KIABMN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(OC)c(OC(=O)c2ccccc2)cc1Br ZINC000013915420 553495566 /nfs/dbraw/zinc/49/55/66/553495566.db2.gz LGWAAOHAECPJAZ-LJQANCHMSA-N 0 1 505.390 4.033 40 0 KIABMN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(OC)c(OC(=O)c2ccccc2)cc1Br ZINC000013915421 553495620 /nfs/dbraw/zinc/49/56/20/553495620.db2.gz LGWAAOHAECPJAZ-IBGZPJMESA-N 0 1 505.390 4.033 40 0 KIABMN COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)CC1 ZINC000014153434 553503240 /nfs/dbraw/zinc/50/32/40/553503240.db2.gz IUXNSBDEDJBAQH-UHFFFAOYSA-N 0 1 500.020 4.420 40 0 KIABMN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000014153580 553503471 /nfs/dbraw/zinc/50/34/71/553503471.db2.gz HQKUTYYPOXIWDI-UHFFFAOYSA-N 0 1 516.959 4.275 40 0 KIABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000014153632 553503600 /nfs/dbraw/zinc/50/36/00/553503600.db2.gz QSODVRZHNIMNTN-UHFFFAOYSA-N 0 1 514.412 4.418 40 0 KIABMN Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000014153659 553503640 /nfs/dbraw/zinc/50/36/40/553503640.db2.gz UZZLCMJESLOFTG-UHFFFAOYSA-N 0 1 511.003 4.499 40 0 KIABMN COCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 ZINC000014153987 553503856 /nfs/dbraw/zinc/50/38/56/553503856.db2.gz 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KIABMN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000014400528 553515396 /nfs/dbraw/zinc/51/53/96/553515396.db2.gz IRRNPAGUHJDWRK-HSZRJFAPSA-N 0 1 500.573 4.309 40 0 KIABMN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000014400530 553515381 /nfs/dbraw/zinc/51/53/81/553515381.db2.gz IRRNPAGUHJDWRK-QHCPKHFHSA-N 0 1 500.573 4.309 40 0 KIABMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015228154 553529484 /nfs/dbraw/zinc/52/94/84/553529484.db2.gz PWTSWNCSZDUFJB-HZHRSRAPSA-N 0 1 513.554 4.265 40 0 KIABMN CC(C)C[C@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000015276271 553530355 /nfs/dbraw/zinc/53/03/55/553530355.db2.gz NZAMWYOVJPKKPX-ZNGHFDKBSA-N 0 1 511.597 4.387 40 0 KIABMN CSCC[C@H]1N[C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000015320465 553531880 /nfs/dbraw/zinc/53/18/80/553531880.db2.gz XRBHBAWULXUMMS-LBCJCTBSSA-N 0 1 515.610 4.099 40 0 KIABMN COc1cc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000018209554 553610467 /nfs/dbraw/zinc/61/04/67/553610467.db2.gz GDEBMACEGIKBHB-URVUXULASA-N 0 1 513.319 4.354 40 0 KIABMN O=C(NCCCN1CCN(CCCNC(=O)Nc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000019690748 553615444 /nfs/dbraw/zinc/61/54/44/553615444.db2.gz DJJONRNFQGNFDD-UHFFFAOYSA-N 0 1 507.466 4.334 40 0 KIABMN Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)cc2)n1 ZINC000019931434 553635157 /nfs/dbraw/zinc/63/51/57/553635157.db2.gz QFTAAXFYKWWHRA-UHFFFAOYSA-N 0 1 513.623 4.396 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)cc3Br)cc2)n1 ZINC000020035039 553667463 /nfs/dbraw/zinc/66/74/63/553667463.db2.gz RGZBVEXNCFTVDB-UHFFFAOYSA-N 0 1 519.421 4.489 40 0 KIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(OC)c(OC)c3)cc2)c(OC)c1 ZINC000020035793 553667374 /nfs/dbraw/zinc/66/73/74/553667374.db2.gz KTXSUJORWUNBSQ-UHFFFAOYSA-N 0 1 518.613 4.253 40 0 KIABMN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020049869 553670802 /nfs/dbraw/zinc/67/08/02/553670802.db2.gz PKRDERMNADWGNQ-UHFFFAOYSA-N 0 1 502.614 4.463 40 0 KIABMN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(Br)c1 ZINC000020111108 553693765 /nfs/dbraw/zinc/69/37/65/553693765.db2.gz CEFOQWCRLYBISC-UHFFFAOYSA-N 0 1 519.421 4.355 40 0 KIABMN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC ZINC000020111450 553693960 /nfs/dbraw/zinc/69/39/60/553693960.db2.gz DAVPXLWQCALFDP-INIZCTEOSA-N 0 1 502.618 4.031 40 0 KIABMN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC ZINC000020111452 553693968 /nfs/dbraw/zinc/69/39/68/553693968.db2.gz DAVPXLWQCALFDP-MRXNPFEDSA-N 0 1 502.618 4.031 40 0 KIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(OC)c(OC)c3)cc2)c1 ZINC000020111739 553693951 /nfs/dbraw/zinc/69/39/51/553693951.db2.gz IKYLRYKRLOAGCZ-UHFFFAOYSA-N 0 1 500.573 4.093 40 0 KIABMN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000020456281 553653258 /nfs/dbraw/zinc/65/32/58/553653258.db2.gz CXPMQGNOZXMWOE-HSZRJFAPSA-N 0 1 500.573 4.309 40 0 KIABMN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000020456282 553653281 /nfs/dbraw/zinc/65/32/81/553653281.db2.gz CXPMQGNOZXMWOE-QHCPKHFHSA-N 0 1 500.573 4.309 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)n1 ZINC000020456402 553653174 /nfs/dbraw/zinc/65/31/74/553653174.db2.gz WPPOYWGJKROHQE-UHFFFAOYSA-N 0 1 501.417 4.143 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc(Br)cc3)cc2)n1 ZINC000020461003 553655492 /nfs/dbraw/zinc/65/54/92/553655492.db2.gz RERJBJOEOATFJP-UHFFFAOYSA-N 0 1 507.435 4.220 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Br)cc2)n1 ZINC000020491843 553665424 /nfs/dbraw/zinc/66/54/24/553665424.db2.gz DCCNCVXFJSJVJL-UHFFFAOYSA-N 0 1 511.785 4.019 40 0 KIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(OC)c(OC)c3)cc2)c(OC)c1 ZINC000022512375 553742969 /nfs/dbraw/zinc/74/29/69/553742969.db2.gz NJLVXKWFLBCXPF-UHFFFAOYSA-N 0 1 500.573 4.093 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000022530564 553745454 /nfs/dbraw/zinc/74/54/54/553745454.db2.gz XOBYMVMBDVTXCY-UHFFFAOYSA-N 0 1 501.417 4.143 40 0 KIABMN O=C(NCCCN1CCN(CCCNC(=O)Nc2ccccc2Cl)CC1)Nc1ccccc1Cl ZINC000022584808 553747657 /nfs/dbraw/zinc/74/76/57/553747657.db2.gz YCVOCZGRLPVFNG-UHFFFAOYSA-N 0 1 507.466 4.334 40 0 KIABMN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869274 553764510 /nfs/dbraw/zinc/76/45/10/553764510.db2.gz LWIFGGMEQWOQQO-IUDBTDONSA-N 0 1 591.716 4.199 40 0 KIABMN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869282 553764518 /nfs/dbraw/zinc/76/45/18/553764518.db2.gz LWIFGGMEQWOQQO-NSJVFKKDSA-N 0 1 591.716 4.199 40 0 KIABMN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869323 553764432 /nfs/dbraw/zinc/76/44/32/553764432.db2.gz LWIFGGMEQWOQQO-GMCHKSTQSA-N 0 1 591.716 4.199 40 0 KIABMN COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000022869332 553764498 /nfs/dbraw/zinc/76/44/98/553764498.db2.gz LWIFGGMEQWOQQO-AKGWNBJDSA-N 0 1 591.716 4.199 40 0 KIABMN COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869349 553764456 /nfs/dbraw/zinc/76/44/56/553764456.db2.gz KVEZPCUOQXOOTA-IUDBTDONSA-N 0 1 591.716 4.199 40 0 KIABMN COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869357 553764450 /nfs/dbraw/zinc/76/44/50/553764450.db2.gz KVEZPCUOQXOOTA-NSJVFKKDSA-N 0 1 591.716 4.199 40 0 KIABMN COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869371 553764705 /nfs/dbraw/zinc/76/47/05/553764705.db2.gz KVEZPCUOQXOOTA-GMCHKSTQSA-N 0 1 591.716 4.199 40 0 KIABMN COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022869381 553764701 /nfs/dbraw/zinc/76/47/01/553764701.db2.gz KVEZPCUOQXOOTA-AKGWNBJDSA-N 0 1 591.716 4.199 40 0 KIABMN Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022871810 553765823 /nfs/dbraw/zinc/76/58/23/553765823.db2.gz PPLZPBDVDPNXKM-IUDBTDONSA-N 0 1 575.717 4.499 40 0 KIABMN Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022871818 553765880 /nfs/dbraw/zinc/76/58/80/553765880.db2.gz PPLZPBDVDPNXKM-NSJVFKKDSA-N 0 1 575.717 4.499 40 0 KIABMN Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022871862 553765891 /nfs/dbraw/zinc/76/58/91/553765891.db2.gz PPLZPBDVDPNXKM-GMCHKSTQSA-N 0 1 575.717 4.499 40 0 KIABMN Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000022871871 553765829 /nfs/dbraw/zinc/76/58/29/553765829.db2.gz PPLZPBDVDPNXKM-AKGWNBJDSA-N 0 1 575.717 4.499 40 0 KIABMN O=C(NCCCN1CCN(CCCNC(=O)Nc2cccc(Cl)c2)CC1)Nc1cccc(Cl)c1 ZINC000023263507 553771627 /nfs/dbraw/zinc/77/16/27/553771627.db2.gz FPIYTWDGZYLDDY-UHFFFAOYSA-N 0 1 507.466 4.334 40 0 KIABMN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CN1CCN(Cc2ccccc2)CC1 ZINC000023288635 553771613 /nfs/dbraw/zinc/77/16/13/553771613.db2.gz IFPFZHSJZLXGCS-UHFFFAOYSA-N 0 1 528.447 4.361 40 0 KIABMN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 ZINC000026120751 553817888 /nfs/dbraw/zinc/81/78/88/553817888.db2.gz LPGVGGGENIWIQB-UHFFFAOYSA-N 0 1 522.645 4.029 40 0 KIABMN O[C@@H](COCCOc1ccc(Br)cc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026780665 553821245 /nfs/dbraw/zinc/82/12/45/553821245.db2.gz IWWGKVCHDGPEPU-HXUWFJFHSA-N 0 1 503.359 4.046 40 0 KIABMN O[C@H](COCCOc1ccc(Br)cc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000026780667 553821278 /nfs/dbraw/zinc/82/12/78/553821278.db2.gz IWWGKVCHDGPEPU-FQEVSTJZSA-N 0 1 503.359 4.046 40 0 KIABMN CSCC[C@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000029749012 553850702 /nfs/dbraw/zinc/85/07/02/553850702.db2.gz KUJOIVIWNRGGNW-QUOGVSKYSA-N 0 1 529.637 4.094 40 0 KIABMN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000030857945 553858614 /nfs/dbraw/zinc/85/86/14/553858614.db2.gz WWNHGWUIBOBYPS-HSZRJFAPSA-N 0 1 500.573 4.309 40 0 KIABMN CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000030857951 553858682 /nfs/dbraw/zinc/85/86/82/553858682.db2.gz WWNHGWUIBOBYPS-QHCPKHFHSA-N 0 1 500.573 4.309 40 0 KIABMN CC1=C(C(=O)OCCN(C)Cc2ccc(F)cc2)[C@@H](c2cccc3c2OCO3)C(C(=O)OC(C)C)=C(C)N1 ZINC000031284341 553861198 /nfs/dbraw/zinc/86/11/98/553861198.db2.gz ZGRIPYHIFXGCHR-AREMUKBSSA-N 0 1 524.589 4.416 40 0 in-man KIABMN CCOC(=O)C1C(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000034087012 553980600 /nfs/dbraw/zinc/98/06/00/553980600.db2.gz XCMGVMZZXNHNBO-BTTMQRIASA-N 0 1 513.997 4.165 40 0 KIABMN CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000035396312 554047311 /nfs/dbraw/zinc/04/73/11/554047311.db2.gz HWDPFJYBEWFTIK-MTXNFPGFSA-N 0 1 503.908 4.204 40 0 KIABMN CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCCN2[C@]2(c3cccc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035806809 554076083 /nfs/dbraw/zinc/07/60/83/554076083.db2.gz GPMILASLXAYRTN-XOSPKBLGSA-N 0 1 507.590 4.408 40 0 KIABMN CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCCN2[C@]2(c3cccc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035806811 554075952 /nfs/dbraw/zinc/07/59/52/554075952.db2.gz GPMILASLXAYRTN-SDDLEPOWSA-N 0 1 507.590 4.408 40 0 KIABMN CCOc1ccccc1C(=O)[C@H]1[C@H]2CCCN2[C@]2(c3cccc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035806813 554075959 /nfs/dbraw/zinc/07/59/59/554075959.db2.gz GPMILASLXAYRTN-QXRRIYKASA-N 0 1 507.590 4.408 40 0 KIABMN CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCCN2[C@]2(c3cc(C)ccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035807161 554076034 /nfs/dbraw/zinc/07/60/34/554076034.db2.gz TXAPGBAUFDPOSG-OTEJJTPWSA-N 0 1 507.590 4.408 40 0 KIABMN CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCCN2[C@]2(c3cc(C)ccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035807162 554076066 /nfs/dbraw/zinc/07/60/66/554076066.db2.gz TXAPGBAUFDPOSG-LXWFZJDPSA-N 0 1 507.590 4.408 40 0 KIABMN CCOc1ccccc1C(=O)[C@H]1[C@H]2CCCN2[C@]2(c3cc(C)ccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035807164 554076012 /nfs/dbraw/zinc/07/60/12/554076012.db2.gz TXAPGBAUFDPOSG-WGXQNPJDSA-N 0 1 507.590 4.408 40 0 KIABMN O=C(COc1ccc2ccccc2c1Br)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000038756328 554276574 /nfs/dbraw/zinc/27/65/74/554276574.db2.gz LCGJIWWZAQCYDE-UHFFFAOYSA-N 0 1 513.373 4.211 40 0 KIABMN CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCC(N5CC[NH+](CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C ZINC000039716290 554279645 /nfs/dbraw/zinc/27/96/45/554279645.db2.gz SXNJFOWDRLKDSF-XKHVUIRMSA-N 0 1 618.827 4.267 40 0 in-vitro KIABMN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000039750870 554279982 /nfs/dbraw/zinc/27/99/82/554279982.db2.gz IXGOKDUMRQVNET-UHFFFAOYSA-N 0 1 506.068 4.374 40 0 KIABMN COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000039751045 554279998 /nfs/dbraw/zinc/27/99/98/554279998.db2.gz HRFVBOYHYHHRIV-UHFFFAOYSA-N 0 1 506.068 4.374 40 0 KIABMN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 ZINC000039772493 554280990 /nfs/dbraw/zinc/28/09/90/554280990.db2.gz HJXOXCOLNCNEQZ-UHFFFAOYSA-N 0 1 506.068 4.374 40 0 KIABMN CC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(Br)c1 ZINC000040943858 554291737 /nfs/dbraw/zinc/29/17/37/554291737.db2.gz XEMZQHGTDLSDSJ-UHFFFAOYSA-N 0 1 505.394 4.181 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000044880600 554307351 /nfs/dbraw/zinc/30/73/51/554307351.db2.gz CKQZLUMXLSAFIC-UHFFFAOYSA-N 0 1 501.417 4.143 40 0 KIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(OC)c(OC)c3)cc2)c1 ZINC000044884152 554307666 /nfs/dbraw/zinc/30/76/66/554307666.db2.gz RXMRAPBWHUOEOR-UHFFFAOYSA-N 0 1 518.613 4.253 40 0 KIABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c1 ZINC000057315777 554354563 /nfs/dbraw/zinc/35/45/63/554354563.db2.gz XJLSFCOJPQPQNU-JLHYYAGUSA-N 0 1 504.612 4.011 40 0 KIABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@@H]1c1ccc(C)cc1 ZINC000059427882 554395252 /nfs/dbraw/zinc/39/52/52/554395252.db2.gz RSUOSFLEAHZXPV-JZVSFUAJSA-N 0 1 503.407 4.119 40 0 KIABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(Cl)c3O)c(=O)n2[C@H]1c1ccc(C)cc1 ZINC000059427884 554395224 /nfs/dbraw/zinc/39/52/24/554395224.db2.gz RSUOSFLEAHZXPV-JYWRCUDFSA-N 0 1 503.407 4.119 40 0 KIABMN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1)S(C)(=O)=O ZINC000059647128 554417742 /nfs/dbraw/zinc/41/77/42/554417742.db2.gz QDEQXIKWUGJTTL-UHFFFAOYSA-N 0 1 555.600 4.473 40 0 KIABMN O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000059781009 554429553 /nfs/dbraw/zinc/42/95/53/554429553.db2.gz BTJYNUQSLOUSAZ-MHZLTWQESA-N 0 1 594.543 4.056 40 0 KIABMN O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000059781014 554429702 /nfs/dbraw/zinc/42/97/02/554429702.db2.gz BTJYNUQSLOUSAZ-HHHXNRCGSA-N 0 1 594.543 4.056 40 0 KIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c(OC)c1 ZINC000059852336 554450934 /nfs/dbraw/zinc/45/09/34/554450934.db2.gz UXYPEDFBROKHQD-HSZRJFAPSA-N 0 1 601.747 4.118 40 0 KIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c(OC)c1 ZINC000059852339 554450929 /nfs/dbraw/zinc/45/09/29/554450929.db2.gz UXYPEDFBROKHQD-QHCPKHFHSA-N 0 1 601.747 4.118 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000059852340 554450972 /nfs/dbraw/zinc/45/09/72/554450972.db2.gz IBHARLZNHNXSBC-UHFFFAOYSA-N 0 1 549.074 4.353 40 0 KIABMN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000059852344 554451026 /nfs/dbraw/zinc/45/10/26/554451026.db2.gz GVQAKAJPTPHSDB-UHFFFAOYSA-N 0 1 557.053 4.370 40 0 KIABMN Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1 ZINC000059852349 554451038 /nfs/dbraw/zinc/45/10/38/554451038.db2.gz WVRDEOHAQMAEQM-UHFFFAOYSA-N 0 1 536.635 4.025 40 0 KIABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000059852378 554450940 /nfs/dbraw/zinc/45/09/40/554450940.db2.gz VFYYXCSWFPDMDE-UHFFFAOYSA-N 0 1 552.074 4.397 40 0 KIABMN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(F)cc2)cc1 ZINC000059852386 554450986 /nfs/dbraw/zinc/45/09/86/554450986.db2.gz LYTSLXCGGGNAQF-UHFFFAOYSA-N 0 1 584.651 4.254 40 0 KIABMN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)cc2)S(C)(=O)=O)c1 ZINC000059852415 554451181 /nfs/dbraw/zinc/45/11/81/554451181.db2.gz HTINFZOVMVPBQN-UHFFFAOYSA-N 0 1 565.677 4.113 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 ZINC000059852534 554451615 /nfs/dbraw/zinc/45/16/15/554451615.db2.gz IDEKRLCBFWVNDB-UHFFFAOYSA-N 0 1 572.068 4.073 40 0 KIABMN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059852556 554451797 /nfs/dbraw/zinc/45/17/97/554451797.db2.gz WYPNIIOBHDSOBY-UHFFFAOYSA-N 0 1 566.661 4.033 40 0 KIABMN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccccc2)c1C ZINC000059852575 554451745 /nfs/dbraw/zinc/45/17/45/554451745.db2.gz PDUOFDARDUHFRY-UHFFFAOYSA-N 0 1 550.662 4.333 40 0 KIABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059852614 554452181 /nfs/dbraw/zinc/45/21/81/554452181.db2.gz OHJWWYKEMAGYHS-UHFFFAOYSA-N 0 1 626.713 4.132 40 0 KIABMN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)cc2)cc1 ZINC000059852634 554452231 /nfs/dbraw/zinc/45/22/31/554452231.db2.gz UACROEOIRUFUKU-UHFFFAOYSA-N 0 1 536.635 4.268 40 0 KIABMN CC(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059852911 554453330 /nfs/dbraw/zinc/45/33/30/554453330.db2.gz QMEFFRGYHQEAPM-UHFFFAOYSA-N 0 1 565.677 4.235 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCCN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)n1 ZINC000059852929 554453176 /nfs/dbraw/zinc/45/31/76/554453176.db2.gz HUAMDTBNXWRSEG-UHFFFAOYSA-N 0 1 566.105 4.041 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(F)cc2)cc1 ZINC000059852933 554453189 /nfs/dbraw/zinc/45/31/89/554453189.db2.gz NFHQWUQOMIXWJK-UHFFFAOYSA-N 0 1 554.625 4.164 40 0 KIABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(C)cc2)cc1 ZINC000059852983 554453225 /nfs/dbraw/zinc/45/32/25/554453225.db2.gz RYSSTJAGCOOOEQ-UHFFFAOYSA-N 0 1 566.661 4.033 40 0 KIABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000059852997 554453494 /nfs/dbraw/zinc/45/34/94/554453494.db2.gz RJCFVQGEYVULMJ-UHFFFAOYSA-N 0 1 625.729 4.054 40 0 KIABMN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000059853022 554453581 /nfs/dbraw/zinc/45/35/81/554453581.db2.gz OPTOHZCNJPPXDZ-UHFFFAOYSA-N 0 1 528.656 4.008 40 0 KIABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000059853028 554453541 /nfs/dbraw/zinc/45/35/41/554453541.db2.gz FFURKVKCJQFYOS-UHFFFAOYSA-N 0 1 572.068 4.073 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)n1 ZINC000059853036 554453533 /nfs/dbraw/zinc/45/35/33/554453533.db2.gz LRPYWCLLLWDJAI-OAQYLSRUSA-N 0 1 595.703 4.480 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)n1 ZINC000059853040 554453633 /nfs/dbraw/zinc/45/36/33/554453633.db2.gz LRPYWCLLLWDJAI-NRFANRHFSA-N 0 1 595.703 4.480 40 0 KIABMN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc2)cc1 ZINC000059853075 554453613 /nfs/dbraw/zinc/45/36/13/554453613.db2.gz HHNMPDMBVJLGFQ-UHFFFAOYSA-N 0 1 569.690 4.077 40 0 KIABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000059853111 554453815 /nfs/dbraw/zinc/45/38/15/554453815.db2.gz YGKDLPFOCZJGDV-UHFFFAOYSA-N 0 1 626.713 4.132 40 0 KIABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059853118 554453869 /nfs/dbraw/zinc/45/38/69/554453869.db2.gz DVDWCXWANODBGI-UHFFFAOYSA-N 0 1 595.703 4.127 40 0 KIABMN Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(=O)(=O)c1ccccc1 ZINC000059853148 554453885 /nfs/dbraw/zinc/45/38/85/554453885.db2.gz GIKYNAVQISNIJC-UHFFFAOYSA-N 0 1 572.068 4.073 40 0 KIABMN CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000059853171 554453798 /nfs/dbraw/zinc/45/37/98/554453798.db2.gz PNHLQVQFYCFBTO-UHFFFAOYSA-N 0 1 583.717 4.467 40 0 KIABMN Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000059853234 554454020 /nfs/dbraw/zinc/45/40/20/554454020.db2.gz OYPBDXQYOOFTEN-UHFFFAOYSA-N 0 1 572.068 4.073 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000059853346 554454052 /nfs/dbraw/zinc/45/40/52/554454052.db2.gz XDGAZYRACOIZSB-UHFFFAOYSA-N 0 1 572.068 4.073 40 0 KIABMN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059853403 554454072 /nfs/dbraw/zinc/45/40/72/554454072.db2.gz IETCMLVYRWMWOK-UHFFFAOYSA-N 0 1 566.661 4.033 40 0 KIABMN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000059853423 554454421 /nfs/dbraw/zinc/45/44/21/554454421.db2.gz GMLWUTYYYMUPKJ-UHFFFAOYSA-N 0 1 572.068 4.073 40 0 KIABMN CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(=O)(=O)c1ccccc1 ZINC000059853445 554454443 /nfs/dbraw/zinc/45/44/43/554454443.db2.gz ADNFOVPOCMGFSD-UHFFFAOYSA-N 0 1 579.704 4.291 40 0 KIABMN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(=O)(=O)c1ccccc1 ZINC000059853450 554454401 /nfs/dbraw/zinc/45/44/01/554454401.db2.gz OWJZGIUFALRYLL-UHFFFAOYSA-N 0 1 616.121 4.390 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccc(F)cc4)S(C)(=O)=O)cc3)cc2)n1 ZINC000059853457 554454465 /nfs/dbraw/zinc/45/44/65/554454465.db2.gz FBBPJLYVYGGIRQ-UHFFFAOYSA-N 0 1 583.667 4.252 40 0 KIABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000059853472 554454460 /nfs/dbraw/zinc/45/44/60/554454460.db2.gz DUMGQIZVTXBVPE-UHFFFAOYSA-N 0 1 565.677 4.037 40 0 KIABMN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000059853564 554454649 /nfs/dbraw/zinc/45/46/49/554454649.db2.gz CSNDRYVMOBORPC-UHFFFAOYSA-N 0 1 601.504 4.479 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000059853574 554454608 /nfs/dbraw/zinc/45/46/08/554454608.db2.gz UHYMYVSWTHJGIP-UHFFFAOYSA-N 0 1 583.519 4.370 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059853593 554454676 /nfs/dbraw/zinc/45/46/76/554454676.db2.gz KDAWSNDHXJWHHM-SANMLTNESA-N 0 1 545.646 4.304 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000059853597 554454546 /nfs/dbraw/zinc/45/45/46/554454546.db2.gz KDAWSNDHXJWHHM-AREMUKBSSA-N 0 1 545.646 4.304 40 0 KIABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000059853628 554454557 /nfs/dbraw/zinc/45/45/57/554454557.db2.gz FIHCGLLMUPKBGR-UHFFFAOYSA-N 0 1 583.667 4.176 40 0 KIABMN COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059857894 554455089 /nfs/dbraw/zinc/45/50/89/554455089.db2.gz KARMCOOKWIOBER-UHFFFAOYSA-N 0 1 611.698 4.347 40 0 KIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)cc2)c1 ZINC000059881780 554457243 /nfs/dbraw/zinc/45/72/43/554457243.db2.gz NKNOVLVUHHPCKT-UHFFFAOYSA-N 0 1 561.682 4.033 40 0 KIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 ZINC000059882578 554458400 /nfs/dbraw/zinc/45/84/00/554458400.db2.gz VAURLAWLMGUDEU-UHFFFAOYSA-N 0 1 571.599 4.228 40 0 KIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059882723 554458789 /nfs/dbraw/zinc/45/87/89/554458789.db2.gz VGKCZLWUMFAWFP-UHFFFAOYSA-N 0 1 599.662 4.478 40 0 KIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)cc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000059883351 554460128 /nfs/dbraw/zinc/46/01/28/554460128.db2.gz UWKODFCKGRTNQN-UHFFFAOYSA-N 0 1 588.491 4.216 40 0 KIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 ZINC000059883800 554461306 /nfs/dbraw/zinc/46/13/06/554461306.db2.gz ZQNZHQIOKPLUPT-UHFFFAOYSA-N 0 1 552.074 4.171 40 0 KIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc4ccccc43)S(C)(=O)=O)cc2)c1 ZINC000059884232 554461998 /nfs/dbraw/zinc/46/19/98/554461998.db2.gz JJZBKEYBRFXMMV-UHFFFAOYSA-N 0 1 569.661 4.063 40 0 KIABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000059884865 554463356 /nfs/dbraw/zinc/46/33/56/554463356.db2.gz SFIDXDDDWUOAQV-UHFFFAOYSA-N 0 1 611.698 4.347 40 0 KIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000059884973 554463573 /nfs/dbraw/zinc/46/35/73/554463573.db2.gz OWHIUDRNGDCCKX-UHFFFAOYSA-N 0 1 588.491 4.216 40 0 KIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3OC)S(=O)(=O)c3ccccc3)cc2)c1 ZINC000059885328 554464479 /nfs/dbraw/zinc/46/44/79/554464479.db2.gz ZVHBFGYEXRWESS-UHFFFAOYSA-N 0 1 611.698 4.347 40 0 KIABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)c2ccccc2)cc1 ZINC000059888400 554471016 /nfs/dbraw/zinc/47/10/16/554471016.db2.gz LFRHRGKFCJMHJF-UHFFFAOYSA-N 0 1 611.698 4.347 40 0 KIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 ZINC000059888433 554471168 /nfs/dbraw/zinc/47/11/68/554471168.db2.gz SBWRELQEOSORQP-UHFFFAOYSA-N 0 1 552.074 4.171 40 0 KIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000059888694 554471578 /nfs/dbraw/zinc/47/15/78/554471578.db2.gz UVUAXPPCNJYQGM-UHFFFAOYSA-N 0 1 552.074 4.171 40 0 KIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1 ZINC000059888921 554472122 /nfs/dbraw/zinc/47/21/22/554472122.db2.gz SMJRVYDXTJRWTJ-UHFFFAOYSA-N 0 1 552.074 4.171 40 0 KIABMN O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000059922908 554472676 /nfs/dbraw/zinc/47/26/76/554472676.db2.gz NFJNJKZUTXAHAB-UHFFFAOYSA-N 0 1 592.486 4.418 40 0 KIABMN CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc(Cl)ccc1Cl ZINC000059923030 554472902 /nfs/dbraw/zinc/47/29/02/554472902.db2.gz TYUZFMPUGJLICM-UHFFFAOYSA-N 0 1 557.481 4.374 40 0 KIABMN COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059923040 554472813 /nfs/dbraw/zinc/47/28/13/554472813.db2.gz DRFZXYHWEYLWRJ-UHFFFAOYSA-N 0 1 566.661 4.033 40 0 KIABMN O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000059923306 554473213 /nfs/dbraw/zinc/47/32/13/554473213.db2.gz RRADBUDEQSDOBQ-UHFFFAOYSA-N 0 1 557.053 4.370 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000059923310 554473194 /nfs/dbraw/zinc/47/31/94/554473194.db2.gz BKCPHTNXMLUTPH-UHFFFAOYSA-N 0 1 583.519 4.370 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2cccc(C)c2)cc1 ZINC000059923396 554473207 /nfs/dbraw/zinc/47/32/07/554473207.db2.gz ICFKNYQFFDLVGI-UHFFFAOYSA-N 0 1 550.662 4.333 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4cccc(Cl)c4)S(C)(=O)=O)cc3)cc2)n1 ZINC000059923400 554473101 /nfs/dbraw/zinc/47/31/01/554473101.db2.gz ICNGKQIWIJZTPD-UHFFFAOYSA-N 0 1 586.095 4.458 40 0 KIABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000059923406 554473453 /nfs/dbraw/zinc/47/34/53/554473453.db2.gz LNGLQQYOGZZWEU-UHFFFAOYSA-N 0 1 616.121 4.390 40 0 KIABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccc(Cl)cc2)cc1 ZINC000059923426 554473448 /nfs/dbraw/zinc/47/34/48/554473448.db2.gz YZKBVYYADWFDMQ-UHFFFAOYSA-N 0 1 616.121 4.390 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4)S(C)(=O)=O)cc3)cc2)n1 ZINC000059923557 554473497 /nfs/dbraw/zinc/47/34/97/554473497.db2.gz LEFPNLNWHVKUBV-UHFFFAOYSA-N 0 1 565.677 4.113 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4ccccc4F)S(=O)(=O)N(C)C)cc3)cc2)n1 ZINC000059923588 554473515 /nfs/dbraw/zinc/47/35/15/554473515.db2.gz HWKCLJYGJQSRKW-UHFFFAOYSA-N 0 1 612.709 4.099 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccc(Cl)cc2)cc1 ZINC000059923671 554473705 /nfs/dbraw/zinc/47/37/05/554473705.db2.gz LUCOGQWMDMZSNC-UHFFFAOYSA-N 0 1 572.068 4.073 40 0 KIABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059923741 554473975 /nfs/dbraw/zinc/47/39/75/554473975.db2.gz BEHZTOYTBSCLAP-UHFFFAOYSA-N 0 1 579.704 4.345 40 0 KIABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000059923910 554474475 /nfs/dbraw/zinc/47/44/75/554474475.db2.gz PIOHXCQSTFUJCJ-UHFFFAOYSA-N 0 1 602.094 4.082 40 0 KIABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059923954 554474421 /nfs/dbraw/zinc/47/44/21/554474421.db2.gz GUHWXRANHAHULJ-UHFFFAOYSA-N 0 1 595.703 4.045 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCC(C)CC4)ccc3Cl)cc2)n1 ZINC000059924013 554474643 /nfs/dbraw/zinc/47/46/43/554474643.db2.gz TUQUBFVPZNWPKY-UHFFFAOYSA-N 0 1 578.116 4.221 40 0 KIABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000059924148 554474648 /nfs/dbraw/zinc/47/46/48/554474648.db2.gz KDTPVPFOARTXKV-UHFFFAOYSA-N 0 1 580.688 4.424 40 0 KIABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(C)cc2)cc1OC ZINC000059924173 554475008 /nfs/dbraw/zinc/47/50/08/554475008.db2.gz PVRILEGQZKMKPY-UHFFFAOYSA-N 0 1 596.687 4.042 40 0 KIABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059924211 554475105 /nfs/dbraw/zinc/47/51/05/554475105.db2.gz YDXYINOGOVVIQY-UHFFFAOYSA-N 0 1 566.661 4.033 40 0 KIABMN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)c2)CC1 ZINC000059924393 554475219 /nfs/dbraw/zinc/47/52/19/554475219.db2.gz HEYIQZJKAOWBAP-UHFFFAOYSA-N 0 1 549.074 4.209 40 0 KIABMN CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000059924451 554475614 /nfs/dbraw/zinc/47/56/14/554475614.db2.gz HBYGWHMXTKDWDV-UHFFFAOYSA-N 0 1 554.625 4.240 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCCC4)c3)cc2)n1 ZINC000059924514 554475643 /nfs/dbraw/zinc/47/56/43/554475643.db2.gz SXMQMNDAZNFTPY-UHFFFAOYSA-N 0 1 557.698 4.020 40 0 KIABMN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c2ccc(F)cc2)cc1 ZINC000059924527 554475625 /nfs/dbraw/zinc/47/56/25/554475625.db2.gz YLNYEWFSDQNMMP-UHFFFAOYSA-N 0 1 613.693 4.266 40 0 KIABMN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000059924805 554476185 /nfs/dbraw/zinc/47/61/85/554476185.db2.gz QZQUTKAYKZSQIR-UHFFFAOYSA-N 0 1 522.608 4.244 40 0 KIABMN O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000059924860 554476214 /nfs/dbraw/zinc/47/62/14/554476214.db2.gz ZSOQSXUNNOMALG-UHFFFAOYSA-N 0 1 557.053 4.370 40 0 KIABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000060018005 554488888 /nfs/dbraw/zinc/48/88/88/554488888.db2.gz FVQLEWLKXQMQFZ-UHFFFAOYSA-N 0 1 587.079 4.378 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2cccc(C)c2)cc1 ZINC000060018011 554488804 /nfs/dbraw/zinc/48/88/04/554488804.db2.gz BUJHIDXWVRSDLM-UHFFFAOYSA-N 0 1 565.677 4.037 40 0 KIABMN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000060018013 554488765 /nfs/dbraw/zinc/48/87/65/554488765.db2.gz KOPYETXXBORGKQ-UHFFFAOYSA-N 0 1 602.094 4.082 40 0 KIABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000060018022 554488828 /nfs/dbraw/zinc/48/88/28/554488828.db2.gz DKNRIFXSVNTUEW-UHFFFAOYSA-N 0 1 536.635 4.025 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)CC3)cc2)n1 ZINC000060018243 554489355 /nfs/dbraw/zinc/48/93/55/554489355.db2.gz CCPCLVVQCQFFGK-UHFFFAOYSA-N 0 1 612.561 4.382 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)n1 ZINC000060018248 554489381 /nfs/dbraw/zinc/48/93/81/554489381.db2.gz CUPMZWSQVVRVRK-GOSISDBHSA-N 0 1 612.561 4.382 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4c(Cl)cccc4Cl)C3)cc2)n1 ZINC000060018254 554489385 /nfs/dbraw/zinc/48/93/85/554489385.db2.gz CUPMZWSQVVRVRK-SFHVURJKSA-N 0 1 612.561 4.382 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccc(C)c(Cl)c2)cc1 ZINC000060018431 554489661 /nfs/dbraw/zinc/48/96/61/554489661.db2.gz MIOAXMNWPRHOHW-UHFFFAOYSA-N 0 1 586.095 4.382 40 0 KIABMN COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000060018517 554489781 /nfs/dbraw/zinc/48/97/81/554489781.db2.gz CGPLNJVNAWRZTE-UHFFFAOYSA-N 0 1 564.085 4.495 40 0 KIABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(Cl)cc2)cc1 ZINC000060018593 554490028 /nfs/dbraw/zinc/49/00/28/554490028.db2.gz OTIWBKPDWNSGND-UHFFFAOYSA-N 0 1 587.079 4.378 40 0 KIABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000060018596 554489962 /nfs/dbraw/zinc/48/99/62/554489962.db2.gz IAJGDCBPWJBOKI-UHFFFAOYSA-N 0 1 625.729 4.054 40 0 KIABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000060018644 554489923 /nfs/dbraw/zinc/48/99/23/554489923.db2.gz PHOQBKZHFHBQDI-UHFFFAOYSA-N 0 1 586.095 4.382 40 0 KIABMN CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc(Cl)ccc1Cl ZINC000060028116 554490255 /nfs/dbraw/zinc/49/02/55/554490255.db2.gz MLSQXWFCJJCQIN-UHFFFAOYSA-N 0 1 557.481 4.374 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000060028131 554490310 /nfs/dbraw/zinc/49/03/10/554490310.db2.gz JHBQOEOYQRSQOZ-QGZVFWFLSA-N 0 1 583.519 4.370 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000060028132 554490427 /nfs/dbraw/zinc/49/04/27/554490427.db2.gz JHBQOEOYQRSQOZ-KRWDZBQOSA-N 0 1 583.519 4.370 40 0 KIABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2cccc(Cl)c2)cc1 ZINC000060028133 554490485 /nfs/dbraw/zinc/49/04/85/554490485.db2.gz AAUMDRQTMOXHDI-UHFFFAOYSA-N 0 1 602.094 4.082 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2cc(C)ccc2C)cc1 ZINC000060028138 554490412 /nfs/dbraw/zinc/49/04/12/554490412.db2.gz MVFUFHZNVVLQQO-UHFFFAOYSA-N 0 1 579.704 4.345 40 0 KIABMN Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000060028153 554490494 /nfs/dbraw/zinc/49/04/94/554490494.db2.gz IZEHUHIBGMRJEK-UHFFFAOYSA-N 0 1 536.635 4.268 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060028165 554490841 /nfs/dbraw/zinc/49/08/41/554490841.db2.gz RNJJYKXWSDYECH-UHFFFAOYSA-N 0 1 586.095 4.382 40 0 KIABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000060028171 554490893 /nfs/dbraw/zinc/49/08/93/554490893.db2.gz SHAUJGDRPBFRSZ-UHFFFAOYSA-N 0 1 550.662 4.333 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000060028183 554490768 /nfs/dbraw/zinc/49/07/68/554490768.db2.gz PKNHKMKRGIJGQL-UHFFFAOYSA-N 0 1 583.519 4.370 40 0 KIABMN COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000060028199 554491094 /nfs/dbraw/zinc/49/10/94/554491094.db2.gz YCFQXYQOVSMYAJ-UHFFFAOYSA-N 0 1 596.687 4.042 40 0 KIABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)cc1C ZINC000060028234 554491443 /nfs/dbraw/zinc/49/14/43/554491443.db2.gz PVBQQESDLRZYMV-UHFFFAOYSA-N 0 1 550.662 4.333 40 0 KIABMN Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(C)(=O)=O ZINC000060028247 554491376 /nfs/dbraw/zinc/49/13/76/554491376.db2.gz HVMXEVYRUCJNQJ-UHFFFAOYSA-N 0 1 537.063 4.029 40 0 KIABMN COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000060028284 554492067 /nfs/dbraw/zinc/49/20/67/554492067.db2.gz MOMBJAZCGUICME-UHFFFAOYSA-N 0 1 580.688 4.342 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCCCCC4)c3)cc2)n1 ZINC000060028285 554492092 /nfs/dbraw/zinc/49/20/92/554492092.db2.gz CISKRZANUYFKJU-UHFFFAOYSA-N 0 1 564.089 4.056 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060028288 554492056 /nfs/dbraw/zinc/49/20/56/554492056.db2.gz DSUSKURMPNOIBQ-UHFFFAOYSA-N 0 1 565.677 4.037 40 0 KIABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000060028304 554492122 /nfs/dbraw/zinc/49/21/22/554492122.db2.gz CJZLNOZTRUTIND-UHFFFAOYSA-N 0 1 602.094 4.164 40 0 KIABMN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000060028322 554492212 /nfs/dbraw/zinc/49/22/12/554492212.db2.gz LZNITRBHLLXPIA-FQEVSTJZSA-N 0 1 566.661 4.468 40 0 KIABMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000060028323 554492304 /nfs/dbraw/zinc/49/23/04/554492304.db2.gz LZNITRBHLLXPIA-HXUWFJFHSA-N 0 1 566.661 4.468 40 0 KIABMN O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000060028330 554492295 /nfs/dbraw/zinc/49/22/95/554492295.db2.gz PSICMNWESXUTMP-UHFFFAOYSA-N 0 1 557.053 4.370 40 0 KIABMN Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1)S(C)(=O)=O ZINC000060028357 554492568 /nfs/dbraw/zinc/49/25/68/554492568.db2.gz CUZQPSWUXKNHMX-UHFFFAOYSA-N 0 1 550.662 4.409 40 0 KIABMN COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000060028500 554493019 /nfs/dbraw/zinc/49/30/19/554493019.db2.gz WZCSIEFSUQOCGQ-UHFFFAOYSA-N 0 1 538.047 4.088 40 0 KIABMN CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(C)cc2)cc1 ZINC000060028503 554492970 /nfs/dbraw/zinc/49/29/70/554492970.db2.gz NIMSYVKKJOCPSK-UHFFFAOYSA-N 0 1 597.744 4.450 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2cc(C)ccc2C)cc1 ZINC000060028524 554493137 /nfs/dbraw/zinc/49/31/37/554493137.db2.gz FGNGDXDTDHRBGY-UHFFFAOYSA-N 0 1 565.677 4.037 40 0 KIABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000060028538 554493151 /nfs/dbraw/zinc/49/31/51/554493151.db2.gz DGBNAEFYRCKJCR-UHFFFAOYSA-N 0 1 616.121 4.472 40 0 KIABMN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(C)cc2)cc1 ZINC000060028539 554493389 /nfs/dbraw/zinc/49/33/89/554493389.db2.gz YYZYSNVFNZEEHB-UHFFFAOYSA-N 0 1 595.703 4.127 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccccc2Cl)cc1 ZINC000060028542 554493484 /nfs/dbraw/zinc/49/34/84/554493484.db2.gz SBXGBAKFVMZVIM-UHFFFAOYSA-N 0 1 586.095 4.382 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060028544 554493504 /nfs/dbraw/zinc/49/35/04/554493504.db2.gz PQYSLNFPCPILRM-UHFFFAOYSA-N 0 1 586.095 4.382 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4)S(C)(=O)=O)cc3)cc2)n1 ZINC000060028554 554493413 /nfs/dbraw/zinc/49/34/13/554493413.db2.gz XHKCIKZWGAIBHM-UHFFFAOYSA-N 0 1 565.677 4.113 40 0 KIABMN Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000060028555 554493547 /nfs/dbraw/zinc/49/35/47/554493547.db2.gz RKLHPTFCLZRCHZ-UHFFFAOYSA-N 0 1 565.677 4.037 40 0 KIABMN Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000060028561 554493394 /nfs/dbraw/zinc/49/33/94/554493394.db2.gz HBMFGJNHZBVXCF-UHFFFAOYSA-N 0 1 579.704 4.345 40 0 KIABMN Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)cc2)S(C)(=O)=O)c1 ZINC000060028562 554493498 /nfs/dbraw/zinc/49/34/98/554493498.db2.gz QTXSAONTUDKKEH-UHFFFAOYSA-N 0 1 550.662 4.409 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c2ccc(C)cc2C)cc1 ZINC000060028566 554493512 /nfs/dbraw/zinc/49/35/12/554493512.db2.gz WVLAKIVISHERHT-UHFFFAOYSA-N 0 1 579.704 4.345 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(Cl)c3)cc2)n1 ZINC000060028570 554493470 /nfs/dbraw/zinc/49/34/70/554493470.db2.gz IWIDYVKVXMKBSN-UHFFFAOYSA-N 0 1 558.041 4.292 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Oc4ccccc4)cc3)S(C)(=O)=O)cc2)n1 ZINC000060028576 554493705 /nfs/dbraw/zinc/49/37/05/554493705.db2.gz PMOOYSUWISDNKX-UHFFFAOYSA-N 0 1 581.676 4.091 40 0 KIABMN COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccc(Cl)cc2)cc1OC ZINC000060028577 554493671 /nfs/dbraw/zinc/49/36/71/554493671.db2.gz KJZZXGSQYLAKDC-UHFFFAOYSA-N 0 1 617.105 4.387 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)cc2)n1 ZINC000060028583 554493622 /nfs/dbraw/zinc/49/36/22/554493622.db2.gz BASADEUBRYPEHZ-QGZVFWFLSA-N 0 1 598.534 4.073 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)C3)cc2)n1 ZINC000060028584 554493654 /nfs/dbraw/zinc/49/36/54/554493654.db2.gz BASADEUBRYPEHZ-KRWDZBQOSA-N 0 1 598.534 4.073 40 0 KIABMN Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000060028586 554493791 /nfs/dbraw/zinc/49/37/91/554493791.db2.gz CYAJIROOAITJCQ-UHFFFAOYSA-N 0 1 579.704 4.345 40 0 KIABMN CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000060028591 554493681 /nfs/dbraw/zinc/49/36/81/554493681.db2.gz QDKURTGJNDEQKC-UHFFFAOYSA-N 0 1 584.651 4.254 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000060028598 554493799 /nfs/dbraw/zinc/49/37/99/554493799.db2.gz PAJLJLXSQZOXKG-MHZLTWQESA-N 0 1 559.673 4.346 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000060028599 554493715 /nfs/dbraw/zinc/49/37/15/554493715.db2.gz PAJLJLXSQZOXKG-HHHXNRCGSA-N 0 1 559.673 4.346 40 0 KIABMN O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000060028606 554493924 /nfs/dbraw/zinc/49/39/24/554493924.db2.gz IUSXFSKYPWCNDK-UHFFFAOYSA-N 0 1 592.486 4.418 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060028655 554494243 /nfs/dbraw/zinc/49/42/43/554494243.db2.gz RAOCSMVIROXDJK-UHFFFAOYSA-N 0 1 616.519 4.182 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000060028661 554494620 /nfs/dbraw/zinc/49/46/20/554494620.db2.gz XCRXKCNONCMQMG-QGZVFWFLSA-N 0 1 583.519 4.370 40 0 KIABMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000060028662 554494592 /nfs/dbraw/zinc/49/45/92/554494592.db2.gz XCRXKCNONCMQMG-KRWDZBQOSA-N 0 1 583.519 4.370 40 0 KIABMN Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(=O)(=O)c1ccccc1 ZINC000060028690 554494562 /nfs/dbraw/zinc/49/45/62/554494562.db2.gz UYWXDBYZNTZIKZ-UHFFFAOYSA-N 0 1 572.068 4.073 40 0 KIABMN COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000060028697 554494878 /nfs/dbraw/zinc/49/48/78/554494878.db2.gz ULBUSJONJIOREM-UHFFFAOYSA-N 0 1 566.661 4.033 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)c(Cl)cc3Cl)S(C)(=O)=O)cc2)n1 ZINC000060028713 554494792 /nfs/dbraw/zinc/49/47/92/554494792.db2.gz OVECCIXJSIAZKM-UHFFFAOYSA-N 0 1 592.914 4.259 40 0 KIABMN CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c2ccccc2)cc1 ZINC000060028717 554494800 /nfs/dbraw/zinc/49/48/00/554494800.db2.gz QSDRHEVCCXMCQH-UHFFFAOYSA-N 0 1 566.661 4.115 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2cccc(C(F)(F)F)c2)cc1 ZINC000060028720 554494822 /nfs/dbraw/zinc/49/48/22/554494822.db2.gz RAWPACIMWBLUMX-UHFFFAOYSA-N 0 1 605.620 4.439 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2cccc(Cl)c2C)cc1 ZINC000060028722 554495081 /nfs/dbraw/zinc/49/50/81/554495081.db2.gz ZWSJCFVPLKAQCR-UHFFFAOYSA-N 0 1 586.095 4.382 40 0 KIABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000060028731 554495086 /nfs/dbraw/zinc/49/50/86/554495086.db2.gz QBINZKCNBATHTA-UHFFFAOYSA-N 0 1 550.662 4.333 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccc(Cl)cc4Cl)CC3)cc2)n1 ZINC000060028735 554495050 /nfs/dbraw/zinc/49/50/50/554495050.db2.gz YCQCEEQVVQKOKB-UHFFFAOYSA-N 0 1 598.534 4.073 40 0 KIABMN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)cc2)cc1 ZINC000060028743 554495058 /nfs/dbraw/zinc/49/50/58/554495058.db2.gz FNDANSQRLOVQSQ-UHFFFAOYSA-N 0 1 583.717 4.385 40 0 KIABMN CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000060028771 554495352 /nfs/dbraw/zinc/49/53/52/554495352.db2.gz SSDCIDSMYFYHHV-UHFFFAOYSA-N 0 1 554.625 4.240 40 0 KIABMN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000060028775 554495357 /nfs/dbraw/zinc/49/53/57/554495357.db2.gz NYJKHLVYBAZVGK-UHFFFAOYSA-N 0 1 536.635 4.101 40 0 KIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c1 ZINC000060028776 554495229 /nfs/dbraw/zinc/49/52/29/554495229.db2.gz LJBGPAGXRQQWNF-HSZRJFAPSA-N 0 1 601.747 4.118 40 0 KIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c1 ZINC000060028777 554495314 /nfs/dbraw/zinc/49/53/14/554495314.db2.gz LJBGPAGXRQQWNF-QHCPKHFHSA-N 0 1 601.747 4.118 40 0 KIABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000060028778 554495276 /nfs/dbraw/zinc/49/52/76/554495276.db2.gz UIISNHMQHKZPNE-UHFFFAOYSA-N 0 1 602.094 4.164 40 0 KIABMN COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000060028790 554495717 /nfs/dbraw/zinc/49/57/17/554495717.db2.gz ZVFFUWAOPSHEIE-UHFFFAOYSA-N 0 1 595.703 4.045 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2cc(Cl)ccc2C)cc1 ZINC000060028801 554495619 /nfs/dbraw/zinc/49/56/19/554495619.db2.gz QSZYTJGOMGHYDE-UHFFFAOYSA-N 0 1 586.095 4.382 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N(Cc4ccccc4C)S(C)(=O)=O)cc3)cc2)n1 ZINC000060028834 554495918 /nfs/dbraw/zinc/49/59/18/554495918.db2.gz FJDWQDOTKMBHHV-UHFFFAOYSA-N 0 1 579.704 4.421 40 0 KIABMN Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000060028836 554495878 /nfs/dbraw/zinc/49/58/78/554495878.db2.gz LZDQLIPHJSQHTQ-UHFFFAOYSA-N 0 1 550.662 4.333 40 0 KIABMN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1)c1ccccc1 ZINC000060028837 554495891 /nfs/dbraw/zinc/49/58/91/554495891.db2.gz MOUONSKSGLYERW-UHFFFAOYSA-N 0 1 536.635 4.101 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)S(C)(=O)=O)cc2)n1 ZINC000060028841 554496402 /nfs/dbraw/zinc/49/64/02/554496402.db2.gz ZPOPAHJFDWAAKD-UHFFFAOYSA-N 0 1 609.774 4.458 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccccc2Cl)cc1 ZINC000060028891 554496574 /nfs/dbraw/zinc/49/65/74/554496574.db2.gz NAQFBBOJSXEYEY-UHFFFAOYSA-N 0 1 572.068 4.073 40 0 KIABMN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccnc4)cc3)cc2)cc1 ZINC000060028902 554496994 /nfs/dbraw/zinc/49/69/94/554496994.db2.gz BFGFBWGNNVZZKQ-UHFFFAOYSA-N 0 1 522.608 4.244 40 0 KIABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)S(=O)(=O)c1ccccc1 ZINC000060042853 554496972 /nfs/dbraw/zinc/49/69/72/554496972.db2.gz OSKYDIICBMFBQC-UHFFFAOYSA-N 0 1 595.703 4.127 40 0 KIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060042893 554496981 /nfs/dbraw/zinc/49/69/81/554496981.db2.gz XFRISHUYOLAEPN-UHFFFAOYSA-N 0 1 572.068 4.073 40 0 KIABMN O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000060059976 554498100 /nfs/dbraw/zinc/49/81/00/554498100.db2.gz OAFPKKJZUCHLTQ-UHFFFAOYSA-N 0 1 601.504 4.479 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)cc2)n1 ZINC000060060024 554498166 /nfs/dbraw/zinc/49/81/66/554498166.db2.gz KMRXKSCWQYOVOE-VWLOTQADSA-N 0 1 614.105 4.143 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)c4ccccc4O3)cc2)n1 ZINC000060060027 554498218 /nfs/dbraw/zinc/49/82/18/554498218.db2.gz KMRXKSCWQYOVOE-RUZDIDTESA-N 0 1 614.105 4.143 40 0 KIABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1 ZINC000060060147 554498433 /nfs/dbraw/zinc/49/84/33/554498433.db2.gz KINXJTVTCWHLMA-UHFFFAOYSA-N 0 1 566.661 4.115 40 0 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581.676 4.171 40 0 KIABMN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000060060659 554500134 /nfs/dbraw/zinc/50/01/34/554500134.db2.gz FXAYIGUNTGWYEQ-FQEVSTJZSA-N 0 1 566.661 4.468 40 0 KIABMN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000060060662 554500069 /nfs/dbraw/zinc/50/00/69/554500069.db2.gz FXAYIGUNTGWYEQ-HXUWFJFHSA-N 0 1 566.661 4.468 40 0 KIABMN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000060060668 554500168 /nfs/dbraw/zinc/50/01/68/554500168.db2.gz ZZMSAFLNXAHQIX-UHFFFAOYSA-N 0 1 522.608 4.244 40 0 KIABMN O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000060060678 554500147 /nfs/dbraw/zinc/50/01/47/554500147.db2.gz WKNMYHFTOWLXOO-UHFFFAOYSA-N 0 1 592.486 4.418 40 0 KIABMN CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000060060689 554500088 /nfs/dbraw/zinc/50/00/88/554500088.db2.gz QDHWTLLGCMFLQW-UHFFFAOYSA-N 0 1 580.688 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Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(Cl)c3)S(=O)(=O)c3ccccc3)cc2)n1 ZINC000060061061 554501644 /nfs/dbraw/zinc/50/16/44/554501644.db2.gz MLOSEVCBXUPIEE-UHFFFAOYSA-N 0 1 590.058 4.212 40 0 KIABMN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c2ccccc2F)cc1 ZINC000060061101 554501967 /nfs/dbraw/zinc/50/19/67/554501967.db2.gz XHEMKGMLMJEIQL-UHFFFAOYSA-N 0 1 554.625 4.164 40 0 KIABMN O=C([O-])C[C@@H]1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000067870987 554534124 /nfs/dbraw/zinc/53/41/24/554534124.db2.gz BILSLWKSCBWDOE-XSDIEEQYSA-N 0 1 546.590 4.321 40 0 biogenic,in-vitro KIABMN O=C([O-])C[C@@H]1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000067870989 554534135 /nfs/dbraw/zinc/53/41/35/554534135.db2.gz DHBOCHQSBQFURS-XSDIEEQYSA-N 0 1 562.589 4.201 40 0 biogenic,in-vitro KIABMN CCc1ccc(N2C(=O)[N-]C(=O)[C@](Cc3ccc(C(C)C)cc3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070670067 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ZINC000100493035 554403614 /nfs/dbraw/zinc/40/36/14/554403614.db2.gz UYKOCSQVKHWYIV-QHCPKHFHSA-N 0 1 513.642 4.390 40 0 KIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)/C(=C\c3cccs3)NC(=O)c3ccccc3)cc2)n1 ZINC000100560170 554417799 /nfs/dbraw/zinc/41/77/99/554417799.db2.gz SHEVHJSEZSDRKZ-XQNSMLJCSA-N 0 1 533.635 4.365 40 0 KIABMN C=C/C=c1/c(Sc2nc3ccccc3o2)cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(O)/c1=C/C ZINC000100988235 554548872 /nfs/dbraw/zinc/54/88/72/554548872.db2.gz GDRTVMBGKMRWLM-PIYVSSRQSA-N 0 1 544.585 4.277 40 0 KIABMN COC(=O)c1cc(NC(=O)c2cc(Sc3nnnn3-c3ccccc3)c3ccccc3c2O)cc(C(=O)OC)c1 ZINC000100988492 554549236 /nfs/dbraw/zinc/54/92/36/554549236.db2.gz IVMFCUKWBLAPFO-UHFFFAOYSA-N 0 1 555.572 4.498 40 0 KIABMN Cn1nccc1C(=O)Oc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101161948 554660039 /nfs/dbraw/zinc/66/00/39/554660039.db2.gz DZKDLLHIHSJKOT-DSITVLBTSA-N 0 1 528.952 4.344 40 0 KIABMN COc1cc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000101194168 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0 1 519.715 4.404 40 0 KIABMN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000223417008 571473555 /nfs/dbraw/zinc/47/35/55/571473555.db2.gz RZRRSCGQMCYERB-IZLXSDGUSA-N 0 1 519.715 4.404 40 0 KIABMN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000223417039 571473545 /nfs/dbraw/zinc/47/35/45/571473545.db2.gz RZRRSCGQMCYERB-WUFINQPMSA-N 0 1 519.715 4.404 40 0 KIABMN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000223417088 571473512 /nfs/dbraw/zinc/47/35/12/571473512.db2.gz RZRRSCGQMCYERB-VSGBNLITSA-N 0 1 519.715 4.404 40 0 KIABMN COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)s1 ZINC000223417936 571473611 /nfs/dbraw/zinc/47/36/11/571473611.db2.gz WWSOAMUOUISWPQ-UHFFFAOYSA-N 0 1 527.049 4.127 40 0 KIABMN COc1cccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1 ZINC000223448200 571478199 /nfs/dbraw/zinc/47/81/99/571478199.db2.gz NFXUVUICUPVRNT-UHFFFAOYSA-N 0 1 501.417 4.017 40 0 KIABMN COC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)s1 ZINC000223449052 571478287 /nfs/dbraw/zinc/47/82/87/571478287.db2.gz VIYJIFUJTHDQAA-UHFFFAOYSA-N 0 1 527.049 4.127 40 0 KIABMN O=C(Nc1nnc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)s1)c1ccc(Cl)cc1Cl ZINC000223571646 571504936 /nfs/dbraw/zinc/50/49/36/571504936.db2.gz ZIISZMMSJKWOBQ-UHFFFAOYSA-N 0 1 545.817 4.279 40 0 KIABMN O=C(Nc1nnc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)s1)c1ccccc1Cl ZINC000223742738 571536570 /nfs/dbraw/zinc/53/65/70/571536570.db2.gz UROUMTQXNDCOCA-UHFFFAOYSA-N 0 1 503.458 4.309 40 0 KIABMN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000223755038 571538667 /nfs/dbraw/zinc/53/86/67/571538667.db2.gz XKLYJQIAOJFGDX-SVBPBHIXSA-N 0 1 505.688 4.408 40 0 KIABMN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000223755094 571538726 /nfs/dbraw/zinc/53/87/26/571538726.db2.gz XKLYJQIAOJFGDX-SXOMAYOGSA-N 0 1 505.688 4.408 40 0 KIABMN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000223755121 571538794 /nfs/dbraw/zinc/53/87/94/571538794.db2.gz XKLYJQIAOJFGDX-RRPNLBNLSA-N 0 1 505.688 4.408 40 0 KIABMN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000223755176 571538889 /nfs/dbraw/zinc/53/88/89/571538889.db2.gz XKLYJQIAOJFGDX-KAYWLYCHSA-N 0 1 505.688 4.408 40 0 KIABMN O=C(Nc1nnc(S(=O)(=O)NCCSCc2ccccc2F)s1)c1ccc(Cl)cc1Cl ZINC000223776707 571542253 /nfs/dbraw/zinc/54/22/53/571542253.db2.gz FJGLAFQYRXGKIU-UHFFFAOYSA-N 0 1 521.448 4.448 40 0 KIABMN CCOc1ccc(CCCNS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 ZINC000223782061 571543194 /nfs/dbraw/zinc/54/31/94/571543194.db2.gz YDQZAJCHWMRIRK-UHFFFAOYSA-N 0 1 515.444 4.407 40 0 KIABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Cl ZINC000223847359 571560861 /nfs/dbraw/zinc/56/08/61/571560861.db2.gz CKKGWJGCTAKXEV-INIZCTEOSA-N 0 1 507.033 4.344 40 0 KIABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1Cl ZINC000223847406 571560995 /nfs/dbraw/zinc/56/09/95/571560995.db2.gz CKKGWJGCTAKXEV-MRXNPFEDSA-N 0 1 507.033 4.344 40 0 KIABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2Cl)c1 ZINC000223847487 571561010 /nfs/dbraw/zinc/56/10/10/571561010.db2.gz QDJMHBZPDYCTGH-INIZCTEOSA-N 0 1 507.033 4.344 40 0 KIABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2Cl)c1 ZINC000223847543 571561025 /nfs/dbraw/zinc/56/10/25/571561025.db2.gz QDJMHBZPDYCTGH-MRXNPFEDSA-N 0 1 507.033 4.344 40 0 KIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2Cl)cc1 ZINC000223847619 571561050 /nfs/dbraw/zinc/56/10/50/571561050.db2.gz WEMJCYNTVKMKCW-INIZCTEOSA-N 0 1 507.033 4.344 40 0 KIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)ccc2Cl)cc1 ZINC000223847672 571561054 /nfs/dbraw/zinc/56/10/54/571561054.db2.gz WEMJCYNTVKMKCW-MRXNPFEDSA-N 0 1 507.033 4.344 40 0 KIABMN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1CCCN1CCOCC1 ZINC000223891639 571569236 /nfs/dbraw/zinc/56/92/36/571569236.db2.gz BSGLDSYRHNBLEP-VSGBNLITSA-N 0 1 518.731 4.465 40 0 KIABMN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1CCCN1CCOCC1 ZINC000223891687 571569249 /nfs/dbraw/zinc/56/92/49/571569249.db2.gz BSGLDSYRHNBLEP-IZLXSDGUSA-N 0 1 518.731 4.465 40 0 KIABMN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1CCCN1CCOCC1 ZINC000223891720 571569187 /nfs/dbraw/zinc/56/91/87/571569187.db2.gz BSGLDSYRHNBLEP-WUFINQPMSA-N 0 1 518.731 4.465 40 0 KIABMN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1CCCN1CCOCC1 ZINC000223891758 571569219 /nfs/dbraw/zinc/56/92/19/571569219.db2.gz BSGLDSYRHNBLEP-NSOVKSMOSA-N 0 1 518.731 4.465 40 0 KIABMN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1CCCN1CCOCC1 ZINC000223928679 571577188 /nfs/dbraw/zinc/57/71/88/571577188.db2.gz LFADODIISRWYBT-LOYHVIPDSA-N 0 1 560.768 4.236 40 0 KIABMN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1CCCN1CCOCC1 ZINC000223928734 571577321 /nfs/dbraw/zinc/57/73/21/571577321.db2.gz LFADODIISRWYBT-IHLOFXLRSA-N 0 1 560.768 4.236 40 0 KIABMN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1CCCN1CCOCC1 ZINC000223928789 571577411 /nfs/dbraw/zinc/57/74/11/571577411.db2.gz LFADODIISRWYBT-XZWHSSHBSA-N 0 1 560.768 4.236 40 0 KIABMN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N3CCOCC3)cc2)c(C)n1CCCN1CCOCC1 ZINC000223928842 571577378 /nfs/dbraw/zinc/57/73/78/571577378.db2.gz LFADODIISRWYBT-KYJUHHDHSA-N 0 1 560.768 4.236 40 0 KIABMN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000223969494 571585716 /nfs/dbraw/zinc/58/57/16/571585716.db2.gz SCIGFWMSYRGREN-NSOVKSMOSA-N 0 1 532.714 4.358 40 0 KIABMN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000223969554 571585736 /nfs/dbraw/zinc/58/57/36/571585736.db2.gz SCIGFWMSYRGREN-IZLXSDGUSA-N 0 1 532.714 4.358 40 0 KIABMN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000223969611 571585908 /nfs/dbraw/zinc/58/59/08/571585908.db2.gz SCIGFWMSYRGREN-WUFINQPMSA-N 0 1 532.714 4.358 40 0 KIABMN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CCCN3CCOCC3)c2C)cc1 ZINC000223969665 571585858 /nfs/dbraw/zinc/58/58/58/571585858.db2.gz SCIGFWMSYRGREN-VSGBNLITSA-N 0 1 532.714 4.358 40 0 KIABMN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1CCCN1CCOCC1 ZINC000224008962 571594511 /nfs/dbraw/zinc/59/45/11/571594511.db2.gz KXYVMPPBTNNHNS-KAYWLYCHSA-N 0 1 519.671 4.128 40 0 KIABMN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1CCCN1CCOCC1 ZINC000224009012 571594581 /nfs/dbraw/zinc/59/45/81/571594581.db2.gz KXYVMPPBTNNHNS-SXOMAYOGSA-N 0 1 519.671 4.128 40 0 KIABMN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1CCCN1CCOCC1 ZINC000224009064 571594577 /nfs/dbraw/zinc/59/45/77/571594577.db2.gz KXYVMPPBTNNHNS-RRPNLBNLSA-N 0 1 519.671 4.128 40 0 KIABMN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)c(C)n1CCCN1CCOCC1 ZINC000224009120 571594486 /nfs/dbraw/zinc/59/44/86/571594486.db2.gz KXYVMPPBTNNHNS-SVBPBHIXSA-N 0 1 519.671 4.128 40 0 KIABMN Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1C ZINC000224066289 571605576 /nfs/dbraw/zinc/60/55/76/571605576.db2.gz UIHSJOZLILOOAR-CYBMUJFWSA-N 0 1 515.444 4.460 40 0 KIABMN Cc1ccc(OC[C@H](C)NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1C ZINC000224066343 571605566 /nfs/dbraw/zinc/60/55/66/571605566.db2.gz UIHSJOZLILOOAR-ZDUSSCGKSA-N 0 1 515.444 4.460 40 0 KIABMN O=C(Nc1nnc(S(=O)(=O)NCCSCc2cccc(Cl)c2)s1)c1ccc(Cl)cc1 ZINC000224068738 571605891 /nfs/dbraw/zinc/60/58/91/571605891.db2.gz TUKITEFEBKRVDQ-UHFFFAOYSA-N 0 1 503.458 4.309 40 0 KIABMN O=C(Nc1nnc(S(=O)(=O)NCCSCc2cccc(Cl)c2)s1)c1ccccc1Cl ZINC000224096384 571609371 /nfs/dbraw/zinc/60/93/71/571609371.db2.gz HVQFDCNTQLQHLX-UHFFFAOYSA-N 0 1 503.458 4.309 40 0 KIABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)s1 ZINC000224287167 571513869 /nfs/dbraw/zinc/51/38/69/571513869.db2.gz MXGPDOGDYUHTOQ-UHFFFAOYSA-N 0 1 512.588 4.295 40 0 KIABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1Cl ZINC000224300088 571517013 /nfs/dbraw/zinc/51/70/13/571517013.db2.gz GEBHWFZVMHOAHE-UHFFFAOYSA-N 0 1 578.112 4.043 40 0 KIABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2Cl)c1 ZINC000224300168 571517000 /nfs/dbraw/zinc/51/70/00/571517000.db2.gz NRRJMQMROJBQNN-UHFFFAOYSA-N 0 1 578.112 4.043 40 0 KIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2Cl)cc1 ZINC000224300244 571516963 /nfs/dbraw/zinc/51/69/63/571516963.db2.gz NUEXRUSLGGJQCI-UHFFFAOYSA-N 0 1 578.112 4.043 40 0 KIABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2Cl)c1C ZINC000224300335 571517036 /nfs/dbraw/zinc/51/70/36/571517036.db2.gz VULKZQLHYITWPT-UHFFFAOYSA-N 0 1 592.139 4.351 40 0 KIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2Cl)c(C)c1 ZINC000224300407 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/nfs/dbraw/zinc/27/31/50/1064273150.db2.gz OFUFNDOZFOOWDA-QGZVFWFLSA-N 0 1 582.100 4.260 40 0 KIABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(Br)c3O)c(=O)n2[C@H]1c1cccs1 ZINC000408768033 1064288863 /nfs/dbraw/zinc/28/88/63/1064288863.db2.gz SDEQYNPDGSDGLX-KCPLEYNQSA-N 0 1 584.311 4.090 40 0 KIABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000408769803 1064290647 /nfs/dbraw/zinc/29/06/47/1064290647.db2.gz PBUMAVCJIHMSQP-HUHAETNCSA-N 0 1 811.230 4.493 40 0 KIABMN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(I)c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br ZINC000408769804 1064290485 /nfs/dbraw/zinc/29/04/85/1064290485.db2.gz PBUMAVCJIHMSQP-YMAYPHAPSA-N 0 1 811.230 4.493 40 0 KIABMN CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c(I)c3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000409089084 1064275879 /nfs/dbraw/zinc/27/58/79/1064275879.db2.gz MWKIZFNDJNNIOM-WVWKGNOCSA-N 0 1 729.378 4.027 40 0 KIABMN