smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)cc2)c1 ZINC000001096276 551607603 /nfs/dbraw/zinc/60/76/03/551607603.db2.gz GTONDJKUGHVLBL-UHFFFAOYSA-N -1 1 552.472 3.963 40 0 KHABMM COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2[N-]S(=O)(=O)c2c(C)cc(C)cc2C)n1 ZINC000001372743 551651290 /nfs/dbraw/zinc/65/12/90/551651290.db2.gz MCOAJHLXNROVDB-UHFFFAOYSA-N -1 1 506.588 3.713 40 0 KHABMM COc1ccc(NC(=O)Cn2nnc(-c3ccccc3[N-]S(=O)(=O)c3c(C)cc(C)cc3C)n2)cc1 ZINC000001372808 551651271 /nfs/dbraw/zinc/65/12/71/551651271.db2.gz SUUCBIATIIIDET-UHFFFAOYSA-N -1 1 506.588 3.713 40 0 KHABMM O=C([O-])[C@H](Cc1cnc[nH]1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000001505690 551683277 /nfs/dbraw/zinc/68/32/77/551683277.db2.gz ZEHYBFIGHOHRPX-YFKPBYRVSA-N -1 1 600.843 3.752 40 0 KHABMM O=C([O-])[C@@H](Cc1cnc[nH]1)N1C(=O)c2c(c(Br)c(Br)c(Br)c2Br)C1=O ZINC000001505697 551683262 /nfs/dbraw/zinc/68/32/62/551683262.db2.gz ZEHYBFIGHOHRPX-RXMQYKEDSA-N -1 1 600.843 3.752 40 0 KHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)C[C@]3(O)C(=O)Nc4ccc(Br)cc43)c2)cc1 ZINC000002686353 552156692 /nfs/dbraw/zinc/15/66/92/552156692.db2.gz WTBNGIDZCJPFRS-HSZRJFAPSA-N -1 1 515.385 3.971 40 0 KHABMM O=C(NC([N-]c1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000003103228 552288499 /nfs/dbraw/zinc/28/84/99/552288499.db2.gz OYZUPRNQPGLCSK-UHFFFAOYSA-N -1 1 519.427 3.940 40 0 KHABMM [NH3+][C@H](Cc1ccc(Oc2cc(I)c([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000004097418 552436164 /nfs/dbraw/zinc/43/61/64/552436164.db2.gz HZCBWYNLGPIQRK-GFCCVEGCSA-N -1 1 650.976 3.953 40 0 biogenic,in-man KHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C[C@@]3(O)C(=O)Nc4ccc(Br)cc43)cc2)cc1 ZINC000004647214 552470440 /nfs/dbraw/zinc/47/04/40/552470440.db2.gz HQIZOSZRKKMIFG-QHCPKHFHSA-N -1 1 515.385 3.971 40 0 KHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)C[C@]3(O)C(=O)Nc4ccc(Br)cc43)cc2)cc1 ZINC000004647215 552470390 /nfs/dbraw/zinc/47/03/90/552470390.db2.gz HQIZOSZRKKMIFG-HSZRJFAPSA-N -1 1 515.385 3.971 40 0 KHABMM COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000006088912 552531097 /nfs/dbraw/zinc/53/10/97/552531097.db2.gz HRSFDQNSUBSZJM-UHFFFAOYSA-N -1 1 509.613 3.630 40 0 KHABMM C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)COC(=O)c1ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc1)C2 ZINC000006144290 552546147 /nfs/dbraw/zinc/54/61/47/552546147.db2.gz PURZOUACTQQBQK-DCFHFQCYSA-N -1 1 528.627 3.843 40 0 KHABMM C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)COC(=O)c1ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc1)C2 ZINC000006144291 552546107 /nfs/dbraw/zinc/54/61/07/552546107.db2.gz PURZOUACTQQBQK-NFQMXDRXSA-N -1 1 528.627 3.843 40 0 KHABMM Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3cc(Br)cc(I)c3[O-])C2=O)cc1 ZINC000008396091 552994591 /nfs/dbraw/zinc/99/45/91/552994591.db2.gz LNKKGWGSSFKDBK-CHHVJCJISA-N -1 1 556.154 3.599 40 0 KHABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc(C(=O)OC)c1 ZINC000008810764 553148785 /nfs/dbraw/zinc/14/87/85/553148785.db2.gz DCTIXSMNXHMTEH-UHFFFAOYSA-N -1 1 504.467 3.591 40 0 KHABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc(C(=O)OC)c1 ZINC000008810929 553148809 /nfs/dbraw/zinc/14/88/09/553148809.db2.gz QOCOSSCHGOILMU-UHFFFAOYSA-N -1 1 504.467 3.591 40 0 KHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)C[C@@]3(O)C(=O)Nc4ccc(Br)cc43)c2)cc1 ZINC000009495180 553274318 /nfs/dbraw/zinc/27/43/18/553274318.db2.gz WTBNGIDZCJPFRS-QHCPKHFHSA-N -1 1 515.385 3.971 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N(C)S(=O)(=O)N(C)C)cc3)cc2)c1 ZINC000009694810 553299631 /nfs/dbraw/zinc/29/96/31/553299631.db2.gz JBWCDUNCBXBISA-UHFFFAOYSA-N -1 1 516.645 3.599 40 0 KHABMM CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000009694814 553299934 /nfs/dbraw/zinc/29/99/34/553299934.db2.gz UPAXETNKKNHOBY-UHFFFAOYSA-N -1 1 523.036 3.636 40 0 KHABMM CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000009694818 553299920 /nfs/dbraw/zinc/29/99/20/553299920.db2.gz PPXWVMMPPWQDRT-UHFFFAOYSA-N -1 1 523.036 3.636 40 0 KHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2C)cc1 ZINC000010112113 553328578 /nfs/dbraw/zinc/32/85/78/553328578.db2.gz GLZVBRFHELDYGH-UHFFFAOYSA-N -1 1 527.668 3.559 40 0 KHABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2C)cc1 ZINC000010112117 553328747 /nfs/dbraw/zinc/32/87/47/553328747.db2.gz HTWXCWJMKAYONZ-UHFFFAOYSA-N -1 1 527.668 3.559 40 0 KHABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2C)cc1 ZINC000010112120 553328721 /nfs/dbraw/zinc/32/87/21/553328721.db2.gz LFYPKEMVLPNFKU-UHFFFAOYSA-N -1 1 527.668 3.559 40 0 KHABMM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000010360475 553335469 /nfs/dbraw/zinc/33/54/69/553335469.db2.gz PZWZQNUDBRUSGX-IBGZPJMESA-N -1 1 501.630 3.897 40 0 KHABMM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000010360485 553335483 /nfs/dbraw/zinc/33/54/83/553335483.db2.gz PZWZQNUDBRUSGX-LJQANCHMSA-N -1 1 501.630 3.897 40 0 KHABMM O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000012482698 553375909 /nfs/dbraw/zinc/37/59/09/553375909.db2.gz OVAWYBJTMQXGFQ-UHFFFAOYSA-N -1 1 504.305 3.893 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)NCc4ccccc4)o3)cc2)cc1 ZINC000012485248 553377364 /nfs/dbraw/zinc/37/73/64/553377364.db2.gz VXVBNKZGIZWOGY-UHFFFAOYSA-N -1 1 510.597 3.955 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)NCc4ccco4)o3)cc2)cc1 ZINC000012485276 553377359 /nfs/dbraw/zinc/37/73/59/553377359.db2.gz QHYRHFJKUXTZIS-UHFFFAOYSA-N -1 1 500.558 3.548 40 0 KHABMM COc1ccc(CNC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)cc1 ZINC000013496120 553463808 /nfs/dbraw/zinc/46/38/08/553463808.db2.gz KIPHPJJMTUEJEV-UHFFFAOYSA-N -1 1 510.597 3.955 40 0 KHABMM Nc1nc([O-])c(CC(=O)N(Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccccc2F)s1 ZINC000013511844 553467528 /nfs/dbraw/zinc/46/75/28/553467528.db2.gz IBSDFTKSNCPRNA-RBBKRZOGSA-N -1 1 510.616 3.620 40 0 KHABMM Nc1nc([O-])c(CC(=O)N(Cc2cccs2)[C@H](C(=O)NCc2ccccc2)c2ccccc2F)s1 ZINC000013511848 553467536 /nfs/dbraw/zinc/46/75/36/553467536.db2.gz IBSDFTKSNCPRNA-UNMCSNQZSA-N -1 1 510.616 3.620 40 0 KHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(I)cc2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585927 553476783 /nfs/dbraw/zinc/47/67/83/553476783.db2.gz AMGQVWKFUWGGMV-UHFFFAOYSA-N -1 1 516.382 3.747 40 0 KHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)cc2C)cc1 ZINC000013649299 553480561 /nfs/dbraw/zinc/48/05/61/553480561.db2.gz ZLLJTBOVGIJXLM-UHFFFAOYSA-N -1 1 527.668 3.559 40 0 KHABMM Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4)c3)CC2)cc1 ZINC000013671972 553482098 /nfs/dbraw/zinc/48/20/98/553482098.db2.gz IIQJMSXMDOLOQX-UHFFFAOYSA-N -1 1 527.668 3.559 40 0 KHABMM Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4C)c3)CC2)cc1 ZINC000013673695 553482476 /nfs/dbraw/zinc/48/24/76/553482476.db2.gz ZANSADHWCJPDES-UHFFFAOYSA-N -1 1 527.668 3.559 40 0 KHABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)ccc1OC ZINC000013678214 553483347 /nfs/dbraw/zinc/48/33/47/553483347.db2.gz AXYUKFPSLPUPTE-UHFFFAOYSA-N -1 1 517.629 3.663 40 0 KHABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2C)cc1 ZINC000013678245 553483373 /nfs/dbraw/zinc/48/33/73/553483373.db2.gz JTVXQZKVUHOAIP-UHFFFAOYSA-N -1 1 507.612 3.791 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1C(=O)NC(C)C ZINC000013679237 553483845 /nfs/dbraw/zinc/48/38/45/553483845.db2.gz WFVVKZNYHZYACK-UHFFFAOYSA-N -1 1 517.629 3.743 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C(=O)NC(C)C ZINC000013680430 553484201 /nfs/dbraw/zinc/48/42/01/553484201.db2.gz CGQBLUMYOYTAQY-UHFFFAOYSA-N -1 1 517.629 3.743 40 0 KHABMM Cc1cc(C)nc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)n1 ZINC000013948336 553497347 /nfs/dbraw/zinc/49/73/47/553497347.db2.gz NMKZWBUHTXOAHF-UHFFFAOYSA-N -1 1 503.425 3.519 40 0 KHABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000014153296 553503243 /nfs/dbraw/zinc/50/32/43/553503243.db2.gz BXKOECQQYXJZDC-LJQANCHMSA-N -1 1 501.630 3.897 40 0 KHABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000014153298 553503222 /nfs/dbraw/zinc/50/32/22/553503222.db2.gz BXKOECQQYXJZDC-IBGZPJMESA-N -1 1 501.630 3.897 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000014154736 553504549 /nfs/dbraw/zinc/50/45/49/553504549.db2.gz BLMGAUAXEDOIND-LJQANCHMSA-N -1 1 501.630 3.897 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000014154738 553504602 /nfs/dbraw/zinc/50/46/02/553504602.db2.gz BLMGAUAXEDOIND-IBGZPJMESA-N -1 1 501.630 3.897 40 0 KHABMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000014155159 553504974 /nfs/dbraw/zinc/50/49/74/553504974.db2.gz YSYPFXVVXNVRDH-MRXNPFEDSA-N -1 1 508.021 3.934 40 0 KHABMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000014155161 553504897 /nfs/dbraw/zinc/50/48/97/553504897.db2.gz YSYPFXVVXNVRDH-INIZCTEOSA-N -1 1 508.021 3.934 40 0 KHABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000019934441 553636003 /nfs/dbraw/zinc/63/60/03/553636003.db2.gz QDGSIPFIRHYSLU-UHFFFAOYSA-N -1 1 508.581 3.936 40 0 KHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)c3ccc(OC)c(OC)c3)cc2)c1 ZINC000020021006 553661606 /nfs/dbraw/zinc/66/16/06/553661606.db2.gz YGXPDIYEYLDNKT-KRWDZBQOSA-N -1 1 500.573 3.769 40 0 KHABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)c3ccc(OC)c(OC)c3)cc2)c1 ZINC000020021009 553661552 /nfs/dbraw/zinc/66/15/52/553661552.db2.gz YGXPDIYEYLDNKT-QGZVFWFLSA-N -1 1 500.573 3.769 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000020038395 553668292 /nfs/dbraw/zinc/66/82/92/553668292.db2.gz BFZXVZTYFWEQSN-UHFFFAOYSA-N -1 1 515.613 3.533 40 0 KHABMM COC(=O)c1cc(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)cc(C(=O)OC)c1 ZINC000020040272 553668950 /nfs/dbraw/zinc/66/89/50/553668950.db2.gz ITNBXVLZTSADKM-UHFFFAOYSA-N -1 1 502.932 3.966 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1N1CCCC1=O ZINC000020042462 553669210 /nfs/dbraw/zinc/66/92/10/553669210.db2.gz SFDBCUGSKDETPV-UHFFFAOYSA-N -1 1 515.613 3.732 40 0 KHABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000020060663 553671985 /nfs/dbraw/zinc/67/19/85/553671985.db2.gz NZGIDNBIUDDPFV-UHFFFAOYSA-N -1 1 508.021 3.854 40 0 KHABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000020060689 553672029 /nfs/dbraw/zinc/67/20/29/553672029.db2.gz SFDPOTBBZNCGLA-UHFFFAOYSA-N -1 1 501.630 3.817 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000020060690 553671995 /nfs/dbraw/zinc/67/19/95/553671995.db2.gz IJXLBGWCDGSZKM-UHFFFAOYSA-N -1 1 501.630 3.817 40 0 KHABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)cc1Cl ZINC000020060714 553672119 /nfs/dbraw/zinc/67/21/19/553672119.db2.gz TUTLBHKXMRYAKE-UHFFFAOYSA-N -1 1 508.021 3.854 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)c1 ZINC000020060827 553672983 /nfs/dbraw/zinc/67/29/83/553672983.db2.gz OCXNTCZUPXXAIQ-UHFFFAOYSA-N -1 1 505.593 3.648 40 0 KHABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)c1 ZINC000020060844 553672934 /nfs/dbraw/zinc/67/29/34/553672934.db2.gz SQTOXKQHRVMFKZ-UHFFFAOYSA-N -1 1 517.629 3.518 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)cc2)c1 ZINC000020060848 553673029 /nfs/dbraw/zinc/67/30/29/553673029.db2.gz ATRSRHLYRGJQIV-UHFFFAOYSA-N -1 1 501.630 3.817 40 0 KHABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000020060864 553672994 /nfs/dbraw/zinc/67/29/94/553672994.db2.gz BYFWXPIBCHZINB-UHFFFAOYSA-N -1 1 508.021 3.854 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)cc2)c1 ZINC000020060871 553672970 /nfs/dbraw/zinc/67/29/70/553672970.db2.gz PYIKSPUBDGDQPK-UHFFFAOYSA-N -1 1 501.630 3.817 40 0 KHABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(C)(=O)=O ZINC000020060892 553673249 /nfs/dbraw/zinc/67/32/49/553673249.db2.gz BCQHTWWFZWRCLY-UHFFFAOYSA-N -1 1 501.630 3.763 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000020060895 553673187 /nfs/dbraw/zinc/67/31/87/553673187.db2.gz CHHDLFOFEFOGGV-UHFFFAOYSA-N -1 1 501.630 3.817 40 0 KHABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000020060899 553673176 /nfs/dbraw/zinc/67/31/76/553673176.db2.gz SZYXMIZVFVULTF-UHFFFAOYSA-N -1 1 508.021 3.854 40 0 KHABMM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(C)(=O)=O ZINC000020060957 553673434 /nfs/dbraw/zinc/67/34/34/553673434.db2.gz BRBGSFUUONXGFG-UHFFFAOYSA-N -1 1 508.021 3.854 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000020060960 553673519 /nfs/dbraw/zinc/67/35/19/553673519.db2.gz XPIDMEYCPLWEOI-UHFFFAOYSA-N -1 1 508.021 3.854 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)c1 ZINC000020060997 553673672 /nfs/dbraw/zinc/67/36/72/553673672.db2.gz LYKZOSCJONGZIV-UHFFFAOYSA-N -1 1 501.630 3.817 40 0 KHABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000020061011 553673757 /nfs/dbraw/zinc/67/37/57/553673757.db2.gz XVKBMZWSXFXJRI-SFHVURJKSA-N -1 1 517.629 3.598 40 0 KHABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000020061012 553673702 /nfs/dbraw/zinc/67/37/02/553673702.db2.gz XVKBMZWSXFXJRI-GOSISDBHSA-N -1 1 517.629 3.598 40 0 KHABMM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(C)(=O)=O ZINC000020061066 553673930 /nfs/dbraw/zinc/67/39/30/553673930.db2.gz YQKLMUMSMFLDBJ-UHFFFAOYSA-N -1 1 508.021 3.854 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)c1 ZINC000020061091 553673936 /nfs/dbraw/zinc/67/39/36/553673936.db2.gz JDUDHVIXHGAOFI-UHFFFAOYSA-N -1 1 505.593 3.648 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000020061121 553674204 /nfs/dbraw/zinc/67/42/04/553674204.db2.gz LYHJHGIXQWZWEI-UHFFFAOYSA-N -1 1 508.021 3.854 40 0 KHABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(C)(=O)=O ZINC000020061123 553674177 /nfs/dbraw/zinc/67/41/77/553674177.db2.gz HFKDWECDZAMAPO-UHFFFAOYSA-N -1 1 517.629 3.599 40 0 KHABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1 ZINC000020061158 553674431 /nfs/dbraw/zinc/67/44/31/553674431.db2.gz FHNWVLSSEHMHBO-UHFFFAOYSA-N -1 1 508.021 3.854 40 0 KHABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(C)(=O)=O ZINC000020061275 553675012 /nfs/dbraw/zinc/67/50/12/553675012.db2.gz HZSCHCAIJFPELB-UHFFFAOYSA-N -1 1 517.629 3.518 40 0 KHABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(C)(=O)=O ZINC000020061284 553675021 /nfs/dbraw/zinc/67/50/21/553675021.db2.gz DYWIVDLCHIZTTH-UHFFFAOYSA-N -1 1 517.629 3.518 40 0 KHABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)c1 ZINC000020061287 553674974 /nfs/dbraw/zinc/67/49/74/553674974.db2.gz XEBWGGXMLVSOQV-UHFFFAOYSA-N -1 1 501.630 3.817 40 0 KHABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)c1 ZINC000020451476 553651315 /nfs/dbraw/zinc/65/13/15/553651315.db2.gz APLDHXXKKZUUAD-UHFFFAOYSA-N -1 1 502.932 3.966 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1N1CCCC1=O ZINC000020455237 553652481 /nfs/dbraw/zinc/65/24/81/553652481.db2.gz BERAAUVTZPKDAH-UHFFFAOYSA-N -1 1 519.576 3.563 40 0 KHABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000020459455 553654604 /nfs/dbraw/zinc/65/46/04/553654604.db2.gz GDPWZDKGMBSDQO-UHFFFAOYSA-N -1 1 517.629 3.743 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1N1CCCC1=O ZINC000020461113 553655841 /nfs/dbraw/zinc/65/58/41/553655841.db2.gz VJBMNXDYRUVCNY-UHFFFAOYSA-N -1 1 515.613 3.732 40 0 KHABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020487001 553659249 /nfs/dbraw/zinc/65/92/49/553659249.db2.gz FSDKKMSFPIDTAD-UHFFFAOYSA-N -1 1 517.629 3.743 40 0 KHABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000020492723 553665709 /nfs/dbraw/zinc/66/57/09/553665709.db2.gz VURGDSFIKUDUTB-UHFFFAOYSA-N -1 1 517.629 3.743 40 0 KHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000020492843 553666053 /nfs/dbraw/zinc/66/60/53/553666053.db2.gz FWHDJIPEEVXBLE-UHFFFAOYSA-N -1 1 508.581 3.936 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1N1CCCC1=O ZINC000020494040 553666682 /nfs/dbraw/zinc/66/66/82/553666682.db2.gz VGXVTCUIWTYHRV-UHFFFAOYSA-N -1 1 515.613 3.732 40 0 KHABMM Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3[N-]S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000021578452 553713831 /nfs/dbraw/zinc/71/38/31/553713831.db2.gz FCVYNYJOXFGZPP-UHFFFAOYSA-N -1 1 506.049 3.960 40 0 KHABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022111432 553727078 /nfs/dbraw/zinc/72/70/78/553727078.db2.gz GTFIOWQFFJEZIH-UHFFFAOYSA-N -1 1 501.576 3.618 40 0 KHABMM O=C(c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022514841 553743696 /nfs/dbraw/zinc/74/36/96/553743696.db2.gz BCQBJEFSCSIXBQ-UHFFFAOYSA-N -1 1 514.003 3.828 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000022528397 553745222 /nfs/dbraw/zinc/74/52/22/553745222.db2.gz QUVVLDWDPNCNQN-UHFFFAOYSA-N -1 1 513.641 3.974 40 0 KHABMM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000022528489 553745173 /nfs/dbraw/zinc/74/51/73/553745173.db2.gz XCHOGEPHKOJKAN-UHFFFAOYSA-N -1 1 520.032 3.594 40 0 KHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)N1CCCC1 ZINC000026114811 553816117 /nfs/dbraw/zinc/81/61/17/553816117.db2.gz XULMGXLOFBPFKL-UHFFFAOYSA-N -1 1 523.702 3.620 40 0 KHABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 ZINC000026116631 553816598 /nfs/dbraw/zinc/81/65/98/553816598.db2.gz ZJSBMIGFLKJNEF-UHFFFAOYSA-N -1 1 525.718 3.866 40 0 KHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCCCC1 ZINC000026116638 553816556 /nfs/dbraw/zinc/81/65/56/553816556.db2.gz XQKGNQJCVZPAAO-UHFFFAOYSA-N -1 1 523.702 3.620 40 0 KHABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCC(C)CC3)c2)cc(C(=O)OC)c1 ZINC000026119311 553817556 /nfs/dbraw/zinc/81/75/56/553817556.db2.gz PIYJCIDHQOFPML-UHFFFAOYSA-N -1 1 520.629 3.655 40 0 KHABMM CSc1ccc(S(=O)(=O)[N-]c2cccc(N(C)S(C)(=O)=O)c2)cc1C(=O)N1CCCCCC1 ZINC000026120345 553817530 /nfs/dbraw/zinc/81/75/30/553817530.db2.gz KEMGYDOBEKLAJB-UHFFFAOYSA-N -1 1 511.691 3.621 40 0 KHABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCCC3)c2)cc(C(=O)OC)c1 ZINC000026120745 553817779 /nfs/dbraw/zinc/81/77/79/553817779.db2.gz DPONWANYUNUGFU-UHFFFAOYSA-N -1 1 520.629 3.799 40 0 KHABMM O=C1[N-]C(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000026532477 553819115 /nfs/dbraw/zinc/81/91/15/553819115.db2.gz QMDRHQJDKPHLQF-ZHZULCJRSA-N -1 1 512.638 3.889 40 0 KHABMM O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000030754651 553856485 /nfs/dbraw/zinc/85/64/85/553856485.db2.gz DSVBHPUJUUXJMP-UHFFFAOYSA-N -1 1 514.610 3.997 40 0 KHABMM O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000030755713 553856589 /nfs/dbraw/zinc/85/65/89/553856589.db2.gz KSGBNRGNTABOKJ-UHFFFAOYSA-N -1 1 514.610 3.997 40 0 KHABMM O=C(c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000030757659 553857145 /nfs/dbraw/zinc/85/71/45/553857145.db2.gz FZEBYWRFBSIRHJ-UHFFFAOYSA-N -1 1 514.003 3.828 40 0 KHABMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1N1CCCC1=O ZINC000030864769 553859535 /nfs/dbraw/zinc/85/95/35/553859535.db2.gz BBICQVYRAUZUAY-UHFFFAOYSA-N -1 1 503.577 3.863 40 0 KHABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000038752569 554275426 /nfs/dbraw/zinc/27/54/26/554275426.db2.gz DIARPLNUITUGGN-UHFFFAOYSA-N -1 1 517.629 3.743 40 0 KHABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)c1 ZINC000038754578 554276027 /nfs/dbraw/zinc/27/60/27/554276027.db2.gz YOBGQAZNTGVRSM-UHFFFAOYSA-N -1 1 502.932 3.966 40 0 KHABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(C(=O)OC)cc3)cc2)cc1 ZINC000038754716 554276086 /nfs/dbraw/zinc/27/60/86/554276086.db2.gz VQAVHCRJTQXSCC-UHFFFAOYSA-N -1 1 504.586 3.615 40 0 KHABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1C ZINC000038757052 554277074 /nfs/dbraw/zinc/27/70/74/554277074.db2.gz YLURXGGVXMUHIA-UHFFFAOYSA-N -1 1 517.629 3.743 40 0 KHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cc1 ZINC000038772651 554277148 /nfs/dbraw/zinc/27/71/48/554277148.db2.gz FUXAZLPQSDSFSU-UHFFFAOYSA-N -1 1 513.641 3.974 40 0 KHABMM CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)cc1 ZINC000038828117 554277979 /nfs/dbraw/zinc/27/79/79/554277979.db2.gz MDJAVICTKQQWIR-JOCHJYFZSA-N -1 1 501.587 3.692 40 0 KHABMM CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(Cc5ccccc5)CC4)[n-]c(=O)c32)cc1 ZINC000038828118 554277819 /nfs/dbraw/zinc/27/78/19/554277819.db2.gz MDJAVICTKQQWIR-QFIPXVFZSA-N -1 1 501.587 3.692 40 0 KHABMM CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000038828139 554277963 /nfs/dbraw/zinc/27/79/63/554277963.db2.gz BOXLAGAUNIAQKO-HXUWFJFHSA-N -1 1 501.587 3.692 40 0 KHABMM CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000038828140 554277990 /nfs/dbraw/zinc/27/79/90/554277990.db2.gz BOXLAGAUNIAQKO-FQEVSTJZSA-N -1 1 501.587 3.692 40 0 KHABMM COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000038828171 554278003 /nfs/dbraw/zinc/27/80/03/554278003.db2.gz IQZQEHPQJBFLHW-HXUWFJFHSA-N -1 1 501.587 3.611 40 0 KHABMM COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(Cc4ccccc4)CC3)[n-]c(=O)c21 ZINC000038828172 554277930 /nfs/dbraw/zinc/27/79/30/554277930.db2.gz IQZQEHPQJBFLHW-FQEVSTJZSA-N -1 1 501.587 3.611 40 0 KHABMM CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[n-]c(=O)c32)cc1 ZINC000040399857 554284364 /nfs/dbraw/zinc/28/43/64/554284364.db2.gz MCIOSIGTXKHOGT-LJQANCHMSA-N -1 1 505.531 3.544 40 0 KHABMM CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(OC)cc4)[n-]c(=O)c32)cc1 ZINC000040399859 554284157 /nfs/dbraw/zinc/28/41/57/554284157.db2.gz MCIOSIGTXKHOGT-IBGZPJMESA-N -1 1 505.531 3.544 40 0 KHABMM CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400049 554284667 /nfs/dbraw/zinc/28/46/67/554284667.db2.gz LRFBORBVCRFDRJ-QGZVFWFLSA-N -1 1 505.531 3.544 40 0 KHABMM CCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4OC)[n-]c(=O)c32)cc1 ZINC000040400051 554284550 /nfs/dbraw/zinc/28/45/50/554284550.db2.gz LRFBORBVCRFDRJ-KRWDZBQOSA-N -1 1 505.531 3.544 40 0 KHABMM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)cc1 ZINC000044840772 554304124 /nfs/dbraw/zinc/30/41/24/554304124.db2.gz QKLUFTOXJSHVFE-UHFFFAOYSA-N -1 1 515.613 3.732 40 0 KHABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000044842601 554304108 /nfs/dbraw/zinc/30/41/08/554304108.db2.gz LVYQSCAANXSJSS-UHFFFAOYSA-N -1 1 517.629 3.743 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000044900302 554308554 /nfs/dbraw/zinc/30/85/54/554308554.db2.gz UMFPAGNUKHPHHZ-UHFFFAOYSA-N -1 1 515.613 3.533 40 0 KHABMM CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044901442 554308727 /nfs/dbraw/zinc/30/87/27/554308727.db2.gz SJFPWGUQFWVWAE-UHFFFAOYSA-N -1 1 520.032 3.594 40 0 KHABMM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c(Cl)c1Cl ZINC000044904746 554309743 /nfs/dbraw/zinc/30/97/43/554309743.db2.gz SMKVOHQPNRCGIU-UHFFFAOYSA-N -1 1 503.389 3.702 40 0 KHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852171 554450419 /nfs/dbraw/zinc/45/04/19/554450419.db2.gz JAOLLTBRGQQRRJ-UHFFFAOYSA-N -1 1 564.085 3.621 40 0 KHABMM CN(C)S(=O)(=O)c1ccc(CNC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc1 ZINC000059852202 554450443 /nfs/dbraw/zinc/45/04/43/554450443.db2.gz CAKNYHRMPPIDJF-UHFFFAOYSA-N -1 1 572.492 3.740 40 0 KHABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000059852210 554450410 /nfs/dbraw/zinc/45/04/10/554450410.db2.gz GEQHGZWHRNFQHQ-UHFFFAOYSA-N -1 1 614.529 3.510 40 0 KHABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000059852273 554450644 /nfs/dbraw/zinc/45/06/44/554450644.db2.gz MLMPADFXVXICQS-UHFFFAOYSA-N -1 1 541.695 3.829 40 0 KHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000059852610 554451893 /nfs/dbraw/zinc/45/18/93/554451893.db2.gz WPEJAKALPXRKTP-QFIPXVFZSA-N -1 1 536.031 3.615 40 0 KHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cc1 ZINC000059852612 554451931 /nfs/dbraw/zinc/45/19/31/554451931.db2.gz WPEJAKALPXRKTP-JOCHJYFZSA-N -1 1 536.031 3.615 40 0 KHABMM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)Oc2ccccc21 ZINC000059852778 554452711 /nfs/dbraw/zinc/45/27/11/554452711.db2.gz HBMDMKLYVUWITQ-OAQYLSRUSA-N -1 1 556.449 3.960 40 0 KHABMM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)Oc2ccccc21 ZINC000059852781 554452603 /nfs/dbraw/zinc/45/26/03/554452603.db2.gz HBMDMKLYVUWITQ-NRFANRHFSA-N -1 1 556.449 3.960 40 0 KHABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1)S(C)(=O)=O ZINC000059857875 554455058 /nfs/dbraw/zinc/45/50/58/554455058.db2.gz BRHJQXZKCNJBJW-UHFFFAOYSA-N -1 1 538.047 3.863 40 0 KHABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000059858030 554455368 /nfs/dbraw/zinc/45/53/68/554455368.db2.gz NGOVYEBUIVZMES-UHFFFAOYSA-N -1 1 526.011 3.993 40 0 KHABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059858082 554455375 /nfs/dbraw/zinc/45/53/75/554455375.db2.gz WWOCUUBOHJMSFM-UHFFFAOYSA-N -1 1 538.047 3.944 40 0 KHABMM CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000059858512 554455898 /nfs/dbraw/zinc/45/58/98/554455898.db2.gz WXZPOQAWFODYTL-IBGZPJMESA-N -1 1 531.656 3.988 40 0 KHABMM CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000059858518 554455926 /nfs/dbraw/zinc/45/59/26/554455926.db2.gz WXZPOQAWFODYTL-LJQANCHMSA-N -1 1 531.656 3.988 40 0 KHABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(C)(=O)=O ZINC000059881580 554456877 /nfs/dbraw/zinc/45/68/77/554456877.db2.gz JDRPGEKXEVPQPY-UHFFFAOYSA-N -1 1 531.656 3.826 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059881833 554457546 /nfs/dbraw/zinc/45/75/46/554457546.db2.gz PHDIICODZHUQGS-UHFFFAOYSA-N -1 1 547.655 3.526 40 0 KHABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 ZINC000059882093 554457860 /nfs/dbraw/zinc/45/78/60/554457860.db2.gz APBIEUWUYKBPEI-UHFFFAOYSA-N -1 1 568.471 3.663 40 0 KHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(F)cc1 ZINC000059882327 554458067 /nfs/dbraw/zinc/45/80/67/554458067.db2.gz PSFRTINRSNNUMY-UHFFFAOYSA-N -1 1 556.435 3.794 40 0 KHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccccc1Br ZINC000059882654 554458780 /nfs/dbraw/zinc/45/87/80/554458780.db2.gz YTJSQDDDXKIAMQ-UHFFFAOYSA-N -1 1 538.445 3.655 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000059882747 554458734 /nfs/dbraw/zinc/45/87/34/554458734.db2.gz MSGYAFABABCAEL-UHFFFAOYSA-N -1 1 557.572 3.920 40 0 KHABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000059883020 554459559 /nfs/dbraw/zinc/45/95/59/554459559.db2.gz ZTYQVPKIWZPJBD-UHFFFAOYSA-N -1 1 524.020 3.554 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)cc2)c1 ZINC000059883241 554459988 /nfs/dbraw/zinc/45/99/88/554459988.db2.gz AGDPWPNVVRASQX-UHFFFAOYSA-N -1 1 552.472 3.963 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1OC ZINC000059883449 554460681 /nfs/dbraw/zinc/46/06/81/554460681.db2.gz LDNWFFBMLRJNMR-UHFFFAOYSA-N -1 1 547.655 3.526 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1OC ZINC000059883538 554460664 /nfs/dbraw/zinc/46/06/64/554460664.db2.gz YOQWQZJADIZPCU-UHFFFAOYSA-N -1 1 587.598 3.928 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)cc2)c1 ZINC000059884765 554463288 /nfs/dbraw/zinc/46/32/88/554463288.db2.gz BNTVOIRKZPWURT-UHFFFAOYSA-N -1 1 552.472 3.963 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059884870 554463260 /nfs/dbraw/zinc/46/32/60/554463260.db2.gz XJMHAYCEQFQNOA-UHFFFAOYSA-N -1 1 568.073 3.871 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059884999 554463619 /nfs/dbraw/zinc/46/36/19/554463619.db2.gz OXPXWQMBCMSBNA-UHFFFAOYSA-N -1 1 568.471 3.663 40 0 KHABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000059885148 554464207 /nfs/dbraw/zinc/46/42/07/554464207.db2.gz OBFLEESXLTVHQZ-LJQANCHMSA-N -1 1 531.656 3.906 40 0 KHABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000059885150 554464146 /nfs/dbraw/zinc/46/41/46/554464146.db2.gz OBFLEESXLTVHQZ-IBGZPJMESA-N -1 1 531.656 3.906 40 0 KHABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059885746 554465082 /nfs/dbraw/zinc/46/50/82/554465082.db2.gz BWASJEAATMOOCI-UHFFFAOYSA-N -1 1 552.472 3.963 40 0 KHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(Br)cc1 ZINC000059885856 554465477 /nfs/dbraw/zinc/46/54/77/554465477.db2.gz KWBOFJBAISUKJF-UHFFFAOYSA-N -1 1 538.445 3.655 40 0 KHABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000059885863 554465320 /nfs/dbraw/zinc/46/53/20/554465320.db2.gz JWQFYZVKXFBCBQ-UHFFFAOYSA-N -1 1 552.472 3.963 40 0 KHABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000059886198 554466304 /nfs/dbraw/zinc/46/63/04/554466304.db2.gz QKHBMJBZQSJKHC-UHFFFAOYSA-N -1 1 538.047 3.863 40 0 KHABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)c1 ZINC000059886278 554466337 /nfs/dbraw/zinc/46/63/37/554466337.db2.gz YNYYAELFGCYYKK-UHFFFAOYSA-N -1 1 547.655 3.526 40 0 KHABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000059886350 554466672 /nfs/dbraw/zinc/46/66/72/554466672.db2.gz KLQXQXCDZVNKQN-UHFFFAOYSA-N -1 1 524.020 3.554 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c(OC)c1 ZINC000059886424 554466607 /nfs/dbraw/zinc/46/66/07/554466607.db2.gz GYBKSKWOCFHJSP-UHFFFAOYSA-N -1 1 587.598 3.928 40 0 KHABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000059886705 554467290 /nfs/dbraw/zinc/46/72/90/554467290.db2.gz SWMPLSPVMWFGPS-UHFFFAOYSA-N -1 1 568.471 3.663 40 0 KHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(Br)c1 ZINC000059886741 554467383 /nfs/dbraw/zinc/46/73/83/554467383.db2.gz ISQCZXJJXIKEAL-UHFFFAOYSA-N -1 1 538.445 3.655 40 0 KHABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059886767 554467369 /nfs/dbraw/zinc/46/73/69/554467369.db2.gz WUDGAWPTYOQAOC-INIZCTEOSA-N -1 1 538.047 3.943 40 0 KHABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059886773 554467297 /nfs/dbraw/zinc/46/72/97/554467297.db2.gz WUDGAWPTYOQAOC-MRXNPFEDSA-N -1 1 538.047 3.943 40 0 KHABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000059886864 554467713 /nfs/dbraw/zinc/46/77/13/554467713.db2.gz XJCYDNKNGQULSG-UHFFFAOYSA-N -1 1 557.572 3.920 40 0 KHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000059886913 554467753 /nfs/dbraw/zinc/46/77/53/554467753.db2.gz JSHVBNYCLZNGIP-UHFFFAOYSA-N -1 1 527.546 3.911 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)cc1Cl ZINC000059887223 554468396 /nfs/dbraw/zinc/46/83/96/554468396.db2.gz HEVQUBXWAPMVLA-UHFFFAOYSA-N -1 1 524.020 3.554 40 0 KHABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 ZINC000059887379 554468663 /nfs/dbraw/zinc/46/86/63/554468663.db2.gz GAGOXINKTMHIEI-UHFFFAOYSA-N -1 1 568.073 3.871 40 0 KHABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(C)(=O)=O ZINC000059887571 554469088 /nfs/dbraw/zinc/46/90/88/554469088.db2.gz WMXKMDIJXWZAPN-UHFFFAOYSA-N -1 1 524.020 3.554 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1OC ZINC000059887895 554469712 /nfs/dbraw/zinc/46/97/12/554469712.db2.gz ZPFTXCCBCOSZEE-UHFFFAOYSA-N -1 1 598.497 3.672 40 0 KHABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000059888232 554470718 /nfs/dbraw/zinc/47/07/18/554470718.db2.gz MMXXETXQWDQVQL-UHFFFAOYSA-N -1 1 557.572 3.920 40 0 KHABMM COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 ZINC000059888257 554470723 /nfs/dbraw/zinc/47/07/23/554470723.db2.gz ZJZYTRQUSMKEHF-UHFFFAOYSA-N -1 1 538.047 3.863 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1OC ZINC000059888430 554471213 /nfs/dbraw/zinc/47/12/13/554471213.db2.gz LHEUEOOQCSYPMZ-UHFFFAOYSA-N -1 1 568.073 3.871 40 0 KHABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000059888897 554472155 /nfs/dbraw/zinc/47/21/55/554472155.db2.gz JWRIYRBZIFWXQQ-UHFFFAOYSA-N -1 1 526.011 3.993 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1 ZINC000059888947 554472151 /nfs/dbraw/zinc/47/21/51/554472151.db2.gz YDLSDGUSORFGJR-UHFFFAOYSA-N -1 1 538.047 3.863 40 0 KHABMM COc1ccc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000059923617 554473822 /nfs/dbraw/zinc/47/38/22/554473822.db2.gz ZTVOAZURXMRTJI-UHFFFAOYSA-N -1 1 580.084 3.731 40 0 KHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCc4cc(S(=O)(=O)N(C)C)ccc43)c2)cc1 ZINC000059923894 554474502 /nfs/dbraw/zinc/47/45/02/554474502.db2.gz BGNAGHKUACNFLA-UHFFFAOYSA-N -1 1 534.059 3.902 40 0 KHABMM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)cc2)n1 ZINC000059924019 554474659 /nfs/dbraw/zinc/47/46/59/554474659.db2.gz XCCINOSWBJHJFD-UHFFFAOYSA-N -1 1 537.623 3.947 40 0 KHABMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000059924112 554474683 /nfs/dbraw/zinc/47/46/83/554474683.db2.gz KMEVOXGRSXTYRG-UHFFFAOYSA-N -1 1 539.429 3.978 40 0 KHABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000060017928 554488588 /nfs/dbraw/zinc/48/85/88/554488588.db2.gz SABKEGMUDIWJBW-UHFFFAOYSA-N -1 1 564.085 3.864 40 0 KHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000060018060 554488752 /nfs/dbraw/zinc/48/87/52/554488752.db2.gz JQKZFBMPFCXNME-UHFFFAOYSA-N -1 1 544.014 3.984 40 0 KHABMM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)Oc2ccccc21 ZINC000060018097 554489188 /nfs/dbraw/zinc/48/91/88/554489188.db2.gz MBBPPQNYDWRQQJ-RUZDIDTESA-N -1 1 537.619 3.806 40 0 KHABMM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)Oc2ccccc21 ZINC000060018101 554489114 /nfs/dbraw/zinc/48/91/14/554489114.db2.gz MBBPPQNYDWRQQJ-VWLOTQADSA-N -1 1 537.619 3.806 40 0 KHABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)cc1 ZINC000060018334 554489486 /nfs/dbraw/zinc/48/94/86/554489486.db2.gz BVKBJBXZGRACCQ-UHFFFAOYSA-N -1 1 534.059 3.596 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000060018455 554489803 /nfs/dbraw/zinc/48/98/03/554489803.db2.gz MFFOXXQXMLPEBU-UHFFFAOYSA-N -1 1 529.640 3.841 40 0 KHABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000060028123 554490320 /nfs/dbraw/zinc/49/03/20/554490320.db2.gz CNAYIJNDJKYBAM-UHFFFAOYSA-N -1 1 564.085 3.864 40 0 KHABMM CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1F ZINC000060028155 554490506 /nfs/dbraw/zinc/49/05/06/554490506.db2.gz SEXSRSSAQYQQNG-UHFFFAOYSA-N -1 1 541.026 3.531 40 0 KHABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)cc1Cl ZINC000060028160 554490415 /nfs/dbraw/zinc/49/04/15/554490415.db2.gz WDSVKIVKQLJSCT-UHFFFAOYSA-N -1 1 564.085 3.864 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000060028219 554491053 /nfs/dbraw/zinc/49/10/53/554491053.db2.gz JYPQTDNOIOFCLM-UHFFFAOYSA-N -1 1 580.084 3.731 40 0 KHABMM 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CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)Oc2ccc(Cl)cc21 ZINC000060028708 554494797 /nfs/dbraw/zinc/49/47/97/554494797.db2.gz JEHFUCKYLGQTSR-NRFANRHFSA-N -1 1 556.449 3.960 40 0 KHABMM Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(=O)(=O)c4cccs4)cc3)cc2)n1 ZINC000060028785 554495653 /nfs/dbraw/zinc/49/56/53/554495653.db2.gz XQQIFFKXXRMGLV-UHFFFAOYSA-N -1 1 529.625 3.700 40 0 KHABMM CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 ZINC000060028857 554496316 /nfs/dbraw/zinc/49/63/16/554496316.db2.gz PMSWZGVOERGMQB-AWEZNQCLSA-N -1 1 569.027 3.617 40 0 KHABMM CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 ZINC000060028858 554496298 /nfs/dbraw/zinc/49/62/98/554496298.db2.gz PMSWZGVOERGMQB-CQSZACIVSA-N -1 1 569.027 3.617 40 0 KHABMM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)Oc2ccccc21 ZINC000060028878 554496609 /nfs/dbraw/zinc/49/66/09/554496609.db2.gz QWYZKULTPPAPAA-OAQYLSRUSA-N -1 1 555.556 3.672 40 0 KHABMM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)Oc2ccccc21 ZINC000060028879 554496680 /nfs/dbraw/zinc/49/66/80/554496680.db2.gz QWYZKULTPPAPAA-NRFANRHFSA-N -1 1 555.556 3.672 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCOCC4)cc3)cc2)c1 ZINC000060059987 554498125 /nfs/dbraw/zinc/49/81/25/554498125.db2.gz NYQOGELJCXVFOL-UHFFFAOYSA-N -1 1 543.667 3.519 40 0 KHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000060060184 554498756 /nfs/dbraw/zinc/49/87/56/554498756.db2.gz VCJWOGGVXSZYLR-UHFFFAOYSA-N -1 1 550.058 3.555 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)c1 ZINC000060060208 554498767 /nfs/dbraw/zinc/49/87/67/554498767.db2.gz VSLIQYSENJKLBP-QHCPKHFHSA-N -1 1 550.058 3.923 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)c1 ZINC000060060211 554498775 /nfs/dbraw/zinc/49/87/75/554498775.db2.gz VSLIQYSENJKLBP-HSZRJFAPSA-N -1 1 550.058 3.923 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000060060562 554499701 /nfs/dbraw/zinc/49/97/01/554499701.db2.gz WLXBNEQIFOJWIE-UHFFFAOYSA-N -1 1 529.640 3.841 40 0 KHABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)cc1Cl ZINC000060060878 554501136 /nfs/dbraw/zinc/50/11/36/554501136.db2.gz ROYARANZGOSJSF-QFIPXVFZSA-N -1 1 536.031 3.615 40 0 KHABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)cc1Cl ZINC000060060880 554501063 /nfs/dbraw/zinc/50/10/63/554501063.db2.gz ROYARANZGOSJSF-JOCHJYFZSA-N -1 1 536.031 3.615 40 0 KHABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NS(=O)(=O)c3ccc(OCC)c(C)c3)n2)cc1C ZINC000096305751 553749130 /nfs/dbraw/zinc/74/91/30/553749130.db2.gz DTRSARSTLNSQBG-UHFFFAOYSA-N -1 1 505.618 4.097 40 0 KHABMM Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4cccc(C)c4C)c3)CC2)cc1 ZINC000100073593 554203143 /nfs/dbraw/zinc/20/31/43/554203143.db2.gz RWCVYSZUJYCLQR-UHFFFAOYSA-N -1 1 541.695 3.868 40 0 KHABMM Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccc(C)cc4C)c3)CC2)cc1 ZINC000100080337 554206694 /nfs/dbraw/zinc/20/66/94/554206694.db2.gz GDRVBEYSEZSXHZ-UHFFFAOYSA-N -1 1 541.695 3.868 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)C2)cc1 ZINC000100090411 554210721 /nfs/dbraw/zinc/21/07/21/554210721.db2.gz PNTUXQOQSYNYFT-HXUWFJFHSA-N -1 1 543.667 3.844 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4C)cc3)C2)cc1 ZINC000100090418 554210658 /nfs/dbraw/zinc/21/06/58/554210658.db2.gz PNTUXQOQSYNYFT-FQEVSTJZSA-N -1 1 543.667 3.844 40 0 KHABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)ccc1OC ZINC000100091108 554211343 /nfs/dbraw/zinc/21/13/43/554211343.db2.gz HZATYLSHBGPRHB-UHFFFAOYSA-N -1 1 524.020 3.618 40 0 KHABMM CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)Oc2ccccc21 ZINC000100091909 554212181 /nfs/dbraw/zinc/21/21/81/554212181.db2.gz HJVJTYHHMJMPSK-XMMPIXPASA-N -1 1 529.640 3.660 40 0 KHABMM CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)Oc2ccccc21 ZINC000100091914 554212265 /nfs/dbraw/zinc/21/22/65/554212265.db2.gz HJVJTYHHMJMPSK-DEOSSOPVSA-N -1 1 529.640 3.660 40 0 KHABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)ccc1OC ZINC000100093336 554214083 /nfs/dbraw/zinc/21/40/83/554214083.db2.gz UQQIXXGWICBPAT-UHFFFAOYSA-N -1 1 544.438 3.963 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)C2)cc1 ZINC000100093842 554214277 /nfs/dbraw/zinc/21/42/77/554214277.db2.gz ZDFKLTOWINMGSH-IBGZPJMESA-N -1 1 529.640 3.535 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)C2)cc1 ZINC000100093847 554214337 /nfs/dbraw/zinc/21/43/37/554214337.db2.gz ZDFKLTOWINMGSH-LJQANCHMSA-N -1 1 529.640 3.535 40 0 KHABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1OC ZINC000100093990 554214390 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529.665 3.697 40 0 KHABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225785207 572067439 /nfs/dbraw/zinc/06/74/39/572067439.db2.gz JUVWXOMOKNACSR-UHFFFAOYSA-N -1 1 580.109 3.586 40 0 KHABMM CN(c1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)c1)S(C)(=O)=O ZINC000225786622 572068240 /nfs/dbraw/zinc/06/82/40/572068240.db2.gz YVJKRNDPPBRKLX-UHFFFAOYSA-N -1 1 538.072 3.961 40 0 KHABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1 ZINC000225791337 572069154 /nfs/dbraw/zinc/06/91/54/572069154.db2.gz VWDWRXJROXLHJB-UHFFFAOYSA-N -1 1 610.135 3.595 40 0 KHABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000225793758 572069699 /nfs/dbraw/zinc/06/96/99/572069699.db2.gz OIVOITOIDYUSOG-UHFFFAOYSA-N -1 1 607.179 3.810 40 0 KHABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2n1Cc1ccccc1Cl ZINC000225799149 572070475 /nfs/dbraw/zinc/07/04/75/572070475.db2.gz TWOMLGHBWCFNMJ-UHFFFAOYSA-N -1 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CCc1nnc(S/C(=C\c2cc(I)c(O)c(I)c2)C(=O)[O-])o1 ZINC000408631468 572287611 /nfs/dbraw/zinc/28/76/11/572287611.db2.gz JINMDQLEFCPJAA-UITAMQMPSA-N -1 1 544.108 3.765 40 0 KHABMM CCCc1nc(SC(=Cc2cc(I)c(O)c(I)c2)C(=O)[O-])n[nH]1 ZINC000408632165 572288487 /nfs/dbraw/zinc/28/84/87/572288487.db2.gz OIGDHTAOBYEZGI-POHAHGRESA-N -1 1 557.151 3.890 40 0 KHABMM Cc1nnc(S/C(=C\c2cc(I)c(O)c(I)c2)C(=O)[O-])o1 ZINC000408632521 572288793 /nfs/dbraw/zinc/28/87/93/572288793.db2.gz QSXYYZXUOGJGFK-WTKPLQERSA-N -1 1 530.081 3.511 40 0 KHABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(N4CCOCC4)o3)C(=O)[O-])n2)c1 ZINC000408633106 572289668 /nfs/dbraw/zinc/28/96/68/572289668.db2.gz LOZPBBSJVUIVCR-BOPFTXTBSA-N -1 1 537.392 3.899 40 0 KHABMM CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000408636712 572293661 /nfs/dbraw/zinc/29/36/61/572293661.db2.gz UCESEENJUUNCJK-UHFFFAOYSA-N -1 1 515.415 3.975 40 0 KHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(F)c(F)c1 ZINC000408677423 572319132 /nfs/dbraw/zinc/31/91/32/572319132.db2.gz CRRLWDMGSLUANO-UHFFFAOYSA-N -1 1 574.425 3.933 40 0 KHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(F)c(F)c1 ZINC000408679053 572320244 /nfs/dbraw/zinc/32/02/44/572320244.db2.gz HWJZKQLOVKKOBA-UHFFFAOYSA-N -1 1 529.974 3.824 40 0 KHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000408679151 572320363 /nfs/dbraw/zinc/32/03/63/572320363.db2.gz ISGAFXASFPLJDD-UHFFFAOYSA-N -1 1 505.643 3.588 40 0 KHABMM Cc1cccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000408679482 572320539 /nfs/dbraw/zinc/32/05/39/572320539.db2.gz MBVHLKAAYIKDPV-UHFFFAOYSA-N -1 1 501.630 3.981 40 0 KHABMM Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)cc1 ZINC000408679601 572320611 /nfs/dbraw/zinc/32/06/11/572320611.db2.gz OJONHMPBBBNVFB-UHFFFAOYSA-N -1 1 527.668 3.976 40 0 KHABMM Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000408680165 572320931 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/nfs/dbraw/zinc/54/51/03/1066545103.db2.gz DZPDHXBKNUSKMT-UHFFFAOYSA-N -1 1 610.508 3.532 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1C(=O)N1CCCC1 ZINC000408693069 1066545013 /nfs/dbraw/zinc/54/50/13/1066545013.db2.gz FJSDNLIMUCGLPM-UHFFFAOYSA-N -1 1 533.603 3.672 40 0 KHABMM COc1ccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(C(=O)N4CCCCC4)c3)cc2)c(OC)c1 ZINC000408693156 1066545043 /nfs/dbraw/zinc/54/50/43/1066545043.db2.gz JPAXWNUEUFNKGJ-UHFFFAOYSA-N -1 1 589.692 3.940 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1C(=O)N1CCOCC1 ZINC000408693158 1066544966 /nfs/dbraw/zinc/54/49/66/1066544966.db2.gz JPHBPRXQBSUXQK-UHFFFAOYSA-N -1 1 580.084 3.731 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)c1 ZINC000408693218 1066544790 /nfs/dbraw/zinc/54/47/90/1066544790.db2.gz OXZBYGFUHBQHIP-UHFFFAOYSA-N -1 1 523.583 3.787 40 0 KHABMM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)N4CCCCC4)c3)cc2)cc1 ZINC000408693219 1066544897 /nfs/dbraw/zinc/54/48/97/1066544897.db2.gz KTECXNKDFLHYAH-UHFFFAOYSA-N -1 1 559.666 3.932 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693258 1066545086 /nfs/dbraw/zinc/54/50/86/1066545086.db2.gz LOQJVVMFRYPNKZ-UHFFFAOYSA-N -1 1 535.688 3.687 40 0 KHABMM COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)N4CCCC4)c3)cc2)cc1 ZINC000408693313 1066544988 /nfs/dbraw/zinc/54/49/88/1066544988.db2.gz NREIDSHBDGLGBG-UHFFFAOYSA-N -1 1 545.639 3.541 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1C(=O)N1CCCCC1 ZINC000408693340 1066544391 /nfs/dbraw/zinc/54/43/91/1066544391.db2.gz PDKRNSRTPWKIQB-UHFFFAOYSA-N -1 1 529.640 3.923 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C(=O)N1CCOCC1 ZINC000408693368 1066544501 /nfs/dbraw/zinc/54/45/01/1066544501.db2.gz QPIZXZONSOZSEH-UHFFFAOYSA-N -1 1 599.609 3.788 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C(=O)N1CCCC1 ZINC000408693370 1066544226 /nfs/dbraw/zinc/54/42/26/1066544226.db2.gz QPYVBMAMNBVQFL-UHFFFAOYSA-N -1 1 529.640 3.841 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1C(=O)N1CCCC1 ZINC000408693371 1066544475 /nfs/dbraw/zinc/54/44/75/1066544475.db2.gz QRTOHDKUWFTBBU-UHFFFAOYSA-N -1 1 529.640 3.841 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C(=O)N1CCOCC1 ZINC000408693412 1066544288 /nfs/dbraw/zinc/54/42/88/1066544288.db2.gz SLIWXAIVFMEZAH-UHFFFAOYSA-N -1 1 580.084 3.731 40 0 KHABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCCC3)c2)cc1 ZINC000408693428 1066544316 /nfs/dbraw/zinc/54/43/16/1066544316.db2.gz TXXCQAKPJWQUFE-UHFFFAOYSA-N -1 1 523.677 3.543 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1C(=O)N1CCCC1 ZINC000408693484 1066544419 /nfs/dbraw/zinc/54/44/19/1066544419.db2.gz WVWAKRHUJRLNOA-UHFFFAOYSA-N -1 1 529.640 3.841 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1C(=O)N1CCCC1 ZINC000408693488 1066544197 /nfs/dbraw/zinc/54/41/97/1066544197.db2.gz XCUDPCIQOAMPOU-UHFFFAOYSA-N -1 1 500.358 3.645 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C(=O)N1CCOCC1 ZINC000408693489 1066544345 /nfs/dbraw/zinc/54/43/45/1066544345.db2.gz XFFLRRXSCUADIH-UHFFFAOYSA-N -1 1 580.084 3.731 40 0 KHABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C(=O)N4CCCC4)c3)cc2)cc1 ZINC000408693540 1066544161 /nfs/dbraw/zinc/54/41/61/1066544161.db2.gz ZENSEMDEEMTTMU-UHFFFAOYSA-N -1 1 559.666 3.932 40 0 KHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000408693954 1066544373 /nfs/dbraw/zinc/54/43/73/1066544373.db2.gz CVMKLCFYGVIKKY-UHFFFAOYSA-N -1 1 531.631 3.807 40 0 KHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000408694130 1066543884 /nfs/dbraw/zinc/54/38/84/1066543884.db2.gz CDMJNSINYDGZTG-UHFFFAOYSA-N -1 1 513.641 3.668 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)c1 ZINC000408694259 1066543785 /nfs/dbraw/zinc/54/37/85/1066543785.db2.gz HSFNUWGUGVSKFB-UHFFFAOYSA-N -1 1 519.670 3.897 40 0 KHABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000408694399 1066543193 /nfs/dbraw/zinc/54/31/93/1066543193.db2.gz FSNBAMOEICZPRU-UHFFFAOYSA-N -1 1 501.630 3.981 40 0 KHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000408694633 1066543275 /nfs/dbraw/zinc/54/32/75/1066543275.db2.gz LBKYAJKHZGNWGX-GOSISDBHSA-N -1 1 519.670 3.897 40 0 KHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1 ZINC000408694635 1066543455 /nfs/dbraw/zinc/54/34/55/1066543455.db2.gz LBKYAJKHZGNWGX-SFHVURJKSA-N -1 1 519.670 3.897 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)cc2)c1 ZINC000408695164 1066542765 /nfs/dbraw/zinc/54/27/65/1066542765.db2.gz LRNHTMPZEJAXLV-UHFFFAOYSA-N -1 1 527.668 3.976 40 0 KHABMM Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3)CC2)c1 ZINC000408695712 1066542346 /nfs/dbraw/zinc/54/23/46/1066542346.db2.gz UEKXTEDQYKEUQB-UHFFFAOYSA-N -1 1 527.668 3.976 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000408695779 1066542167 /nfs/dbraw/zinc/54/21/67/1066542167.db2.gz ZDISPZSTKPNWMS-UHFFFAOYSA-N -1 1 501.630 3.981 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000408700273 1066552239 /nfs/dbraw/zinc/55/22/39/1066552239.db2.gz CEYFJWSBXCEKHH-UHFFFAOYSA-N -1 1 581.672 3.922 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000408701109 1066551905 /nfs/dbraw/zinc/55/19/05/1066551905.db2.gz RNSCZHNGAPDVTN-UHFFFAOYSA-N -1 1 515.613 3.533 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3C)cc2)c1 ZINC000408701602 1066551365 /nfs/dbraw/zinc/55/13/65/1066551365.db2.gz AWZHVNQDFPTSON-UHFFFAOYSA-N -1 1 543.667 3.686 40 0 KHABMM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000408701675 1066551339 /nfs/dbraw/zinc/55/13/39/1066551339.db2.gz CJESDHMVZLNHLB-UHFFFAOYSA-N -1 1 550.058 3.722 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000408701696 1066551403 /nfs/dbraw/zinc/55/14/03/1066551403.db2.gz CYGOTRLGTFIFDJ-UHFFFAOYSA-N -1 1 529.640 3.841 40 0 KHABMM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc2c(c1)OCCO2 ZINC000408702412 1066550625 /nfs/dbraw/zinc/55/06/25/1066550625.db2.gz FRKQAPJLWSCEKI-UHFFFAOYSA-N -1 1 566.057 3.707 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408703425 1066550182 /nfs/dbraw/zinc/55/01/82/1066550182.db2.gz RMIQGKHJCQKWPN-UHFFFAOYSA-N -1 1 514.385 3.973 40 0 KHABMM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc2c(c1)OCCO2 ZINC000408703509 1066550150 /nfs/dbraw/zinc/55/01/50/1066550150.db2.gz TWGBBQAGEURDRY-UHFFFAOYSA-N -1 1 610.508 3.816 40 0 KHABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)cc1 ZINC000408703510 1066550214 /nfs/dbraw/zinc/55/02/14/1066550214.db2.gz TWYVJBTUAJNZAA-UHFFFAOYSA-N -1 1 505.593 3.811 40 0 KHABMM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000408703538 1066550265 /nfs/dbraw/zinc/55/02/65/1066550265.db2.gz SGUBUYZHBPJZPS-UHFFFAOYSA-N -1 1 580.084 3.731 40 0 KHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000408704119 1066549995 /nfs/dbraw/zinc/54/99/95/1066549995.db2.gz JURVINFJCTZQHB-UHFFFAOYSA-N -1 1 545.639 3.709 40 0 KHABMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704137 1066549752 /nfs/dbraw/zinc/54/97/52/1066549752.db2.gz KCRADZFURDSEKV-INIZCTEOSA-N -1 1 566.057 3.705 40 0 KHABMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704139 1066549652 /nfs/dbraw/zinc/54/96/52/1066549652.db2.gz KCRADZFURDSEKV-MRXNPFEDSA-N -1 1 566.057 3.705 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)c1 ZINC000408704345 1066549579 /nfs/dbraw/zinc/54/95/79/1066549579.db2.gz MHYWQQMLCGHCCR-IBGZPJMESA-N -1 1 559.666 3.669 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)cc2)c1 ZINC000408704346 1066549510 /nfs/dbraw/zinc/54/95/10/1066549510.db2.gz MHYWQQMLCGHCCR-LJQANCHMSA-N -1 1 559.666 3.669 40 0 KHABMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704761 1066549038 /nfs/dbraw/zinc/54/90/38/1066549038.db2.gz SLAXSVKMZNNOPW-INIZCTEOSA-N -1 1 610.508 3.814 40 0 KHABMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704762 1066549085 /nfs/dbraw/zinc/54/90/85/1066549085.db2.gz SLAXSVKMZNNOPW-MRXNPFEDSA-N -1 1 610.508 3.814 40 0 KHABMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704964 1066548963 /nfs/dbraw/zinc/54/89/63/1066548963.db2.gz WFZMDCBXQMUJBZ-INIZCTEOSA-N -1 1 566.057 3.705 40 0 KHABMM C[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000408704965 1066549190 /nfs/dbraw/zinc/54/91/90/1066549190.db2.gz WFZMDCBXQMUJBZ-MRXNPFEDSA-N -1 1 566.057 3.705 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)c1 ZINC000408704972 1066549258 /nfs/dbraw/zinc/54/92/58/1066549258.db2.gz WNGYECRVAPUAGB-UHFFFAOYSA-N -1 1 545.639 3.709 40 0 KHABMM CN(Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1)S(C)(=O)=O ZINC000408705540 1066548596 /nfs/dbraw/zinc/54/85/96/1066548596.db2.gz IEMCNMSIOGHZQY-UHFFFAOYSA-N -1 1 538.047 3.550 40 0 KHABMM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1)c1ccc2c(c1)OCO2 ZINC000408705654 1066548554 /nfs/dbraw/zinc/54/85/54/1066548554.db2.gz KNYROZFHFMVETJ-UHFFFAOYSA-N -1 1 566.057 3.973 40 0 KHABMM CN(Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1)S(C)(=O)=O ZINC000408706067 1066548516 /nfs/dbraw/zinc/54/85/16/1066548516.db2.gz UQEWCXLLDHXNMM-UHFFFAOYSA-N -1 1 582.498 3.659 40 0 KHABMM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc2c(c1)OCO2 ZINC000408706151 1066548678 /nfs/dbraw/zinc/54/86/78/1066548678.db2.gz WDTWADGONBAVQT-UHFFFAOYSA-N -1 1 596.481 3.773 40 0 KHABMM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1)c1ccc2c(c1)OCO2 ZINC000408706169 1066548635 /nfs/dbraw/zinc/54/86/35/1066548635.db2.gz WPIRHWXGDUAFSC-UHFFFAOYSA-N -1 1 566.057 3.973 40 0 KHABMM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)c1ccc2c(c1)OCO2 ZINC000408706293 1066548441 /nfs/dbraw/zinc/54/84/41/1066548441.db2.gz ZKCDKHWTWBEGFL-UHFFFAOYSA-N -1 1 566.057 3.973 40 0 KHABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(CN(C)S(C)(=O)=O)cc3)cc2)c1 ZINC000408706381 1066548366 /nfs/dbraw/zinc/54/83/66/1066548366.db2.gz IVYASKSUQYZODA-UHFFFAOYSA-N -1 1 531.656 3.513 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408706420 1066548493 /nfs/dbraw/zinc/54/84/93/1066548493.db2.gz PPNNCDZEEWZNGJ-UHFFFAOYSA-N -1 1 549.715 3.933 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408706424 1066548616 /nfs/dbraw/zinc/54/86/16/1066548616.db2.gz RAXWSHSJRHFJAO-UHFFFAOYSA-N -1 1 535.688 3.543 40 0 KHABMM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)c1ccc2c(c1)OCCO2 ZINC000408706486 1066548475 /nfs/dbraw/zinc/54/84/75/1066548475.db2.gz ZTMBHUNSVFTPDP-UHFFFAOYSA-N -1 1 559.666 3.670 40 0 KHABMM CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1 ZINC000408711155 1066555099 /nfs/dbraw/zinc/55/50/99/1066555099.db2.gz YDXDUNBIXNMZME-UHFFFAOYSA-N -1 1 524.418 3.874 40 0 KHABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712587 1066554614 /nfs/dbraw/zinc/55/46/14/1066554614.db2.gz XSSXPUQLSCTTEP-INIZCTEOSA-N -1 1 538.047 3.943 40 0 KHABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)cc1Cl ZINC000408712588 1066554514 /nfs/dbraw/zinc/55/45/14/1066554514.db2.gz XSSXPUQLSCTTEP-MRXNPFEDSA-N -1 1 538.047 3.943 40 0 KHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000408714526 1066553406 /nfs/dbraw/zinc/55/34/06/1066553406.db2.gz APFVBHUQZKLWBO-UHFFFAOYSA-N -1 1 537.729 3.866 40 0 KHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1C(=O)N1CCOCC1 ZINC000408714529 1066553461 /nfs/dbraw/zinc/55/34/61/1066553461.db2.gz AXEZITDPMUCXMJ-UHFFFAOYSA-N -1 1 532.425 3.595 40 0 KHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1C(=O)N1CCOCC1 ZINC000408714739 1066553436 /nfs/dbraw/zinc/55/34/36/1066553436.db2.gz MPQMSVUSIVFZEL-UHFFFAOYSA-N -1 1 561.707 3.791 40 0 KHABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(SC)c(C(=O)N4CCOCC4)c3)cc2)cc1 ZINC000408714748 1066553260 /nfs/dbraw/zinc/55/32/60/1066553260.db2.gz NATHHVXWZWYBJV-UHFFFAOYSA-N -1 1 591.733 3.881 40 0 KHABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C(=O)N1CCOCC1 ZINC000408714995 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ZINC000408923971 1066610193 /nfs/dbraw/zinc/61/01/93/1066610193.db2.gz MJKKCSAMHISWFI-MUUNZHRXSA-N -1 1 675.210 3.843 40 0 KHABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000408924638 1066231845 /nfs/dbraw/zinc/23/18/45/1066231845.db2.gz PTGNMTPSSJBWCN-UHFFFAOYSA-N -1 1 554.046 3.563 40 0 KHABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)S(C)(=O)=O)cc1 ZINC000408925078 1066230524 /nfs/dbraw/zinc/23/05/24/1066230524.db2.gz IOQYUISGMVJDQL-UHFFFAOYSA-N -1 1 517.629 3.599 40 0 KHABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c(OC)c1 ZINC000408925287 1066230667 /nfs/dbraw/zinc/23/06/67/1066230667.db2.gz LXNVCRVKMBRAQS-UHFFFAOYSA-N -1 1 554.046 3.563 40 0 KHABMM C[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000408925546 1066609623 /nfs/dbraw/zinc/60/96/23/1066609623.db2.gz USAGQTBXGLMRAZ-INIZCTEOSA-N -1 1 508.021 3.934 40 0 KHABMM 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409049011 1066258869 /nfs/dbraw/zinc/25/88/69/1066258869.db2.gz XXNPFVPOMQOBSL-AXADVEHHSA-N -1 1 712.946 3.712 40 0 KHABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1 ZINC000409049015 1066698788 /nfs/dbraw/zinc/69/87/88/1066698788.db2.gz XXNPFVPOMQOBSL-XFOXHJFNSA-N -1 1 712.946 3.712 40 0 KHABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409058572 1066700048 /nfs/dbraw/zinc/70/00/48/1066700048.db2.gz YWLLQSIZHSCDAC-IDQDRXHYSA-N -1 1 715.360 3.897 40 0 KHABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000409058573 1066700121 /nfs/dbraw/zinc/70/01/21/1066700121.db2.gz YWLLQSIZHSCDAC-KEBMYNNESA-N -1 1 715.360 3.897 40 0 KHABMM CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)c(Br)c(Br)c1[O-] ZINC000409072364 1066705935 /nfs/dbraw/zinc/70/59/35/1066705935.db2.gz 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550.058 3.722 40 0 KHABMM O=C(CN1C(=O)S/C(=C\c2cc(Cl)cc(I)c2[O-])C1=O)N1CCCCC1 ZINC000409370448 1066811706 /nfs/dbraw/zinc/81/17/06/1066811706.db2.gz QZQBWDFVMYFRPN-QPEQYQDCSA-N -1 1 506.749 3.699 40 0 KHABMM CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Br)c1[O-] ZINC000409400058 1066826243 /nfs/dbraw/zinc/82/62/43/1066826243.db2.gz NLOJEORANVYRJK-WDZFZDKYSA-N -1 1 544.152 3.788 40 0 KHABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1 ZINC000409408890 1066836737 /nfs/dbraw/zinc/83/67/37/1066836737.db2.gz DYFBUZXEKIWXGZ-UHFFFAOYSA-N -1 1 537.063 3.701 40 0 KHABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(C)(=O)=O)cc1 ZINC000409409580 1066836337 /nfs/dbraw/zinc/83/63/37/1066836337.db2.gz IGSTWNYBLDZQIZ-IBGZPJMESA-N -1 1 501.630 3.897 40 0 KHABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(C)(=O)=O)cc1 ZINC000409409581 1066836244 /nfs/dbraw/zinc/83/62/44/1066836244.db2.gz IGSTWNYBLDZQIZ-LJQANCHMSA-N -1 1 501.630 3.897 40 0 KHABMM CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 ZINC000409410676 1066835267 /nfs/dbraw/zinc/83/52/67/1066835267.db2.gz ZQZVIAKLIFQZLP-UHFFFAOYSA-N -1 1 536.031 3.748 40 0 KHABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000409410910 1066835279 /nfs/dbraw/zinc/83/52/79/1066835279.db2.gz AHNFDRPCPULWOB-IBGZPJMESA-N -1 1 501.630 3.897 40 0 KHABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000409410911 1066835163 /nfs/dbraw/zinc/83/51/63/1066835163.db2.gz AHNFDRPCPULWOB-LJQANCHMSA-N -1 1 501.630 3.897 40 0 KHABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000409411131 1066835180 /nfs/dbraw/zinc/83/51/80/1066835180.db2.gz CZKAZMYKLBEZNL-UHFFFAOYSA-N -1 1 514.610 3.997 40 0 KHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(F)c(Cl)c1 ZINC000409411179 1066835231 /nfs/dbraw/zinc/83/52/31/1066835231.db2.gz FDWSDNPPCWTTJO-UHFFFAOYSA-N -1 1 511.984 3.685 40 0 KHABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2C)c1 ZINC000409411283 1066834459 /nfs/dbraw/zinc/83/44/59/1066834459.db2.gz VWRPSVJINIVHBL-UHFFFAOYSA-N -1 1 507.612 3.791 40 0 KHABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2C)c(C)c1 ZINC000409411640 1066834602 /nfs/dbraw/zinc/83/46/02/1066834602.db2.gz YIPMONKAHIGQSE-UHFFFAOYSA-N -1 1 543.667 3.686 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1I ZINC000409411663 1066834651 /nfs/dbraw/zinc/83/46/51/1066834651.db2.gz YRXCDHAIRKCSNH-UHFFFAOYSA-N -1 1 544.392 3.901 40 0 KHABMM CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1 ZINC000409411695 1066834557 /nfs/dbraw/zinc/83/45/57/1066834557.db2.gz JZOXGGNPTBBJNT-UHFFFAOYSA-N -1 1 538.651 3.892 40 0 KHABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc2c(c1)OCO2 ZINC000409411928 1066834537 /nfs/dbraw/zinc/83/45/37/1066834537.db2.gz NRKTUOHOAVWQLA-UHFFFAOYSA-N -1 1 572.448 3.928 40 0 KHABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000409412081 1066834715 /nfs/dbraw/zinc/83/47/15/1066834715.db2.gz QWRKWWDRNOVYPV-UHFFFAOYSA-N -1 1 526.011 3.993 40 0 KHABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1I ZINC000409412084 1066834627 /nfs/dbraw/zinc/83/46/27/1066834627.db2.gz QXGICMFEQSFWBT-UHFFFAOYSA-N -1 1 550.440 3.665 40 0 KHABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000409412164 1066834516 /nfs/dbraw/zinc/83/45/16/1066834516.db2.gz SKTAIHCWHNKMKX-UHFFFAOYSA-N -1 1 552.030 3.583 40 0 KHABMM CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 ZINC000409412551 1066834063 /nfs/dbraw/zinc/83/40/63/1066834063.db2.gz XICQOLNEZIMUSC-UHFFFAOYSA-N -1 1 580.482 3.857 40 0 KHABMM CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=Cc3c(c(C)nn3-c3nnc4c(n3)[nH]c3ccccc34)C1=O)O2 ZINC001547139557 1066876013 /nfs/dbraw/zinc/87/60/13/1066876013.db2.gz SUDLFIYOMXSXQF-MHZLTWQESA-N -1 1 508.494 3.810 40 0 KHABMM Cc1nn(-c2ccccc2)c2c1C(=O)[C@]1(C)c3c(c(-c4ccc5c(=O)[nH]c(=O)n(C)c5n4)c([O-])c(C)c3O)OC1=C2 ZINC001547212320 1066876497 /nfs/dbraw/zinc/87/64/97/1066876497.db2.gz BRWAJNPWPKZNAE-PMERELPUSA-N -1 1 549.543 3.802 40 0 KHABMM COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)C(C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)[O-] ZINC001560408820 1066879034 /nfs/dbraw/zinc/87/90/34/1066879034.db2.gz PLFDFKGXEDSYGE-SANMLTNESA-N -1 1 568.654 3.998 40 0 KHABMM [NH3+][C@@H](Cc1ccc(I)c(Oc2cc(I)c([O-])c(I)c2)c1)C(=O)[O-] ZINC001569991432 1066879754 /nfs/dbraw/zinc/87/97/54/1066879754.db2.gz XOVGZFLABMNKPN-LBPRGKRZSA-N -1 1 650.976 3.953 40 0 KHABMM