smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 ZINC000001093319 551607269 /nfs/dbraw/zinc/60/72/69/551607269.db2.gz DZQYVVNYIJNYNZ-KRWDZBQOSA-N -1 1 596.525 4.442 40 0 KIABMM CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 ZINC000001093321 551607350 /nfs/dbraw/zinc/60/73/50/551607350.db2.gz DZQYVVNYIJNYNZ-QGZVFWFLSA-N -1 1 596.525 4.442 40 0 KIABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000001096281 551607964 /nfs/dbraw/zinc/60/79/64/551607964.db2.gz QBGPOQDGCQUQKO-IBGZPJMESA-N -1 1 553.662 4.442 40 0 KIABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000001096282 551608045 /nfs/dbraw/zinc/60/80/45/551608045.db2.gz QBGPOQDGCQUQKO-LJQANCHMSA-N -1 1 553.662 4.442 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)N4CCc5ccccc54)o3)cc2)cc1 ZINC000001326452 551643420 /nfs/dbraw/zinc/64/34/20/551643420.db2.gz VPZNJPDOMUPXNL-UHFFFAOYSA-N -1 1 522.608 4.227 40 0 KIABMM COC(=O)c1c(C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc21 ZINC000001926234 551734793 /nfs/dbraw/zinc/73/47/93/551734793.db2.gz MYYMRUGAOGUWAQ-UHFFFAOYSA-N -1 1 512.609 4.391 40 0 KIABMM O=S(=O)([N-]c1cccc(F)c1)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)Nc3cccc(F)c3)c2)c1 ZINC000003022750 552264445 /nfs/dbraw/zinc/26/44/45/552264445.db2.gz FBNVAPUQJGANAY-UHFFFAOYSA-N -1 1 564.613 4.399 40 0 KIABMM COc1ccc([N-]S(=O)(=O)c2ccc3oc(SCC(=O)Nc4ccc5c(c4)OCO5)nc3c2)cc1 ZINC000003235513 552316586 /nfs/dbraw/zinc/31/65/86/552316586.db2.gz UGQCEBUSBAIDIM-UHFFFAOYSA-N -1 1 513.553 4.097 40 0 KIABMM O=C([O-])[C@H](Cc1cc(I)c(O)c(I)c1)C1CCCCC1 ZINC000003953937 552423599 /nfs/dbraw/zinc/42/35/99/552423599.db2.gz IPJUCJDVODBCRQ-LLVKDONJSA-N -1 1 500.114 4.425 40 0 in-vitro KIABMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)c3ccc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)cc3)cc2)cc1 ZINC000004522186 552462305 /nfs/dbraw/zinc/46/23/05/552462305.db2.gz JENRIVYZOJDQRA-UHFFFAOYSA-N -1 1 642.737 4.038 40 0 KIABMM O=C(OC[C@H]1O[C@@H](n2ccc(=S)[n-]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000004877031 552488377 /nfs/dbraw/zinc/48/83/77/552488377.db2.gz AQFHLKSRFLNEMU-HMNRDNJPSA-N -1 1 572.595 4.111 40 0 KIABMM O=C(OC[C@@H]1O[C@@H](n2ccc(=S)[n-]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000004877034 552488388 /nfs/dbraw/zinc/48/83/88/552488388.db2.gz AQFHLKSRFLNEMU-ZCLKUGBOSA-N -1 1 572.595 4.111 40 0 KIABMM O=C(OC[C@H]1O[C@@H](n2ccc(=S)[n-]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000004877036 552488344 /nfs/dbraw/zinc/48/83/44/552488344.db2.gz AQFHLKSRFLNEMU-URBBEOKESA-N -1 1 572.595 4.111 40 0 KIABMM O=C(OC[C@@H]1O[C@@H](n2ccc(=S)[n-]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000004877040 552488365 /nfs/dbraw/zinc/48/83/65/552488365.db2.gz AQFHLKSRFLNEMU-RFRHCEIRSA-N -1 1 572.595 4.111 40 0 KIABMM C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)COC(=O)c1cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c1)C2 ZINC000006144359 552546385 /nfs/dbraw/zinc/54/63/85/552546385.db2.gz AZHBDHUZBUOKQL-BVZFJXPGSA-N -1 1 506.571 4.350 40 0 KIABMM C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)COC(=O)c1cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c1)C2 ZINC000006144360 552546363 /nfs/dbraw/zinc/54/63/63/552546363.db2.gz AZHBDHUZBUOKQL-IQGLISFBSA-N -1 1 506.571 4.350 40 0 KIABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000010314174 553332799 /nfs/dbraw/zinc/33/27/99/553332799.db2.gz JQSLVPVRDFGHGX-UHFFFAOYSA-N -1 1 508.021 4.381 40 0 KIABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1NS(C)(=O)=O ZINC000010314208 553332778 /nfs/dbraw/zinc/33/27/78/553332778.db2.gz KGRXORHXPVFTJK-UHFFFAOYSA-N -1 1 508.021 4.381 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3C)cc2)cc1Cl ZINC000010314223 553332807 /nfs/dbraw/zinc/33/28/07/553332807.db2.gz FFMQSYDPPQTSND-UHFFFAOYSA-N -1 1 508.021 4.381 40 0 KIABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)cc1 ZINC000010314229 553332751 /nfs/dbraw/zinc/33/27/51/553332751.db2.gz JGOLHLAOPLDXJY-UHFFFAOYSA-N -1 1 501.630 4.079 40 0 KIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CN(c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1 ZINC000010314246 553332785 /nfs/dbraw/zinc/33/27/85/553332785.db2.gz BCSCXXQRAYJCGB-UHFFFAOYSA-N -1 1 529.684 4.498 40 0 KIABMM CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000010314319 553332720 /nfs/dbraw/zinc/33/27/20/553332720.db2.gz GWOINLWWSLVPQS-UHFFFAOYSA-N -1 1 514.412 4.418 40 0 KIABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(C)c2)cc1 ZINC000010314494 553332831 /nfs/dbraw/zinc/33/28/31/553332831.db2.gz YMQOQSRXVSWAJC-UHFFFAOYSA-N -1 1 501.630 4.079 40 0 KIABMM CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c1 ZINC000010314710 553332997 /nfs/dbraw/zinc/33/29/97/553332997.db2.gz RAKSNNOFAGRCTC-UHFFFAOYSA-N -1 1 513.519 4.130 40 0 KIABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010314779 553332987 /nfs/dbraw/zinc/33/29/87/553332987.db2.gz OXDUMICQPVFZSA-UHFFFAOYSA-N -1 1 501.630 4.079 40 0 KIABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000010314821 553333037 /nfs/dbraw/zinc/33/30/37/553333037.db2.gz ZNWRODXRAMEOFE-UHFFFAOYSA-N -1 1 508.021 4.381 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)(C)C)cc3)S(C)(=O)=O)cc2)c1 ZINC000010314864 553332980 /nfs/dbraw/zinc/33/29/80/553332980.db2.gz OCKXZJSTVYRPIR-UHFFFAOYSA-N -1 1 529.684 4.498 40 0 KIABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000010314895 553332914 /nfs/dbraw/zinc/33/29/14/553332914.db2.gz DADJSLANXBRXQT-UHFFFAOYSA-N -1 1 515.657 4.387 40 0 KIABMM Cc1ccc(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000010314910 553333025 /nfs/dbraw/zinc/33/30/25/553333025.db2.gz BGRNLEVDKGTRNK-UHFFFAOYSA-N -1 1 515.657 4.289 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)cc2)cc1Cl ZINC000010315144 553333275 /nfs/dbraw/zinc/33/32/75/553333275.db2.gz VZWMRVIMGJVAFS-UHFFFAOYSA-N -1 1 508.021 4.381 40 0 KIABMM CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000010315176 553333288 /nfs/dbraw/zinc/33/32/88/553333288.db2.gz DBONRJADUCOZFB-UHFFFAOYSA-N -1 1 515.657 4.190 40 0 KIABMM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(C)(=O)=O)c1 ZINC000010315180 553333208 /nfs/dbraw/zinc/33/32/08/553333208.db2.gz QQGAYKCVTHFKFT-FQEVSTJZSA-N -1 1 515.657 4.206 40 0 KIABMM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(C)(=O)=O)c1 ZINC000010315181 553333255 /nfs/dbraw/zinc/33/32/55/553333255.db2.gz QQGAYKCVTHFKFT-HXUWFJFHSA-N -1 1 515.657 4.206 40 0 KIABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000010315221 553333196 /nfs/dbraw/zinc/33/31/96/553333196.db2.gz YSWGKVFWFXVNLO-UHFFFAOYSA-N -1 1 508.021 4.381 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000010315246 553333247 /nfs/dbraw/zinc/33/32/47/553333247.db2.gz STHLSMOJPPVVFH-HXUWFJFHSA-N -1 1 515.657 4.206 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000010315247 553333306 /nfs/dbraw/zinc/33/33/06/553333306.db2.gz STHLSMOJPPVVFH-FQEVSTJZSA-N -1 1 515.657 4.206 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2)cc1Cl ZINC000010315288 553333262 /nfs/dbraw/zinc/33/32/62/553333262.db2.gz IVFDMABIQUEDNF-UHFFFAOYSA-N -1 1 508.021 4.381 40 0 KIABMM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)ccc1NS(C)(=O)=O ZINC000010315320 553333243 /nfs/dbraw/zinc/33/32/43/553333243.db2.gz JPDOOZXKDIQHPF-UHFFFAOYSA-N -1 1 508.021 4.381 40 0 KIABMM Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(C)(=O)=O ZINC000010328180 553333803 /nfs/dbraw/zinc/33/38/03/553333803.db2.gz BYLSBPDZFOIBDX-KRWDZBQOSA-N -1 1 522.048 4.242 40 0 KIABMM Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)S(C)(=O)=O ZINC000010328182 553333857 /nfs/dbraw/zinc/33/38/57/553333857.db2.gz BYLSBPDZFOIBDX-QGZVFWFLSA-N -1 1 522.048 4.242 40 0 KIABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000010329517 553333849 /nfs/dbraw/zinc/33/38/49/553333849.db2.gz VJWSBISXRGDOJB-UHFFFAOYSA-N -1 1 515.657 4.387 40 0 KIABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000010366377 553335579 /nfs/dbraw/zinc/33/55/79/553335579.db2.gz RVQIAPNGLYOTQU-UHFFFAOYSA-N -1 1 508.021 4.381 40 0 KIABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccccc3)c2)cc1 ZINC000010367109 553335873 /nfs/dbraw/zinc/33/58/73/553335873.db2.gz QFXLIPGSVCVXSM-UHFFFAOYSA-N -1 1 501.630 4.079 40 0 KIABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 ZINC000010368347 553335880 /nfs/dbraw/zinc/33/58/80/553335880.db2.gz YYFSKDPIJNTIAM-UHFFFAOYSA-N -1 1 515.657 4.387 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)NC4CCCCC4)o3)cc2)cc1 ZINC000012485285 553377382 /nfs/dbraw/zinc/37/73/82/553377382.db2.gz QPZGBOFSNZOSNH-UHFFFAOYSA-N -1 1 502.618 4.087 40 0 KIABMM O=C([O-])[C@@H](Cc1cc(I)c(O)c(I)c1)C1CCCCC1 ZINC000012671378 553412591 /nfs/dbraw/zinc/41/25/91/553412591.db2.gz IPJUCJDVODBCRQ-NSHDSACASA-N -1 1 500.114 4.425 40 0 in-vitro KIABMM CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)c1 ZINC000013496098 553463846 /nfs/dbraw/zinc/46/38/46/553463846.db2.gz OLKDWFBAJWJMMJ-UHFFFAOYSA-N -1 1 508.581 4.471 40 0 KIABMM Cc1nc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)sc1C ZINC000013496108 553463913 /nfs/dbraw/zinc/46/39/13/553463913.db2.gz ZKWYNFOKPWHFQE-UHFFFAOYSA-N -1 1 501.615 4.342 40 0 KIABMM CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)cc1 ZINC000013496117 553463825 /nfs/dbraw/zinc/46/38/25/553463825.db2.gz MVTRXNBXHZNYKS-UHFFFAOYSA-N -1 1 508.581 4.471 40 0 KIABMM O=C(CSc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)o1)c1ccc2c(c1)OCCO2 ZINC000013496118 553463840 /nfs/dbraw/zinc/46/38/40/553463840.db2.gz BFDMGMJYPCBFMQ-UHFFFAOYSA-N -1 1 509.565 4.284 40 0 KIABMM O=C(COC(=O)CC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000013523563 553468391 /nfs/dbraw/zinc/46/83/91/553468391.db2.gz DJFIYHRNNWDCSY-NAZSJPOASA-N -1 1 500.336 4.212 40 0 KIABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1)S(C)(=O)=O ZINC000013676794 553482890 /nfs/dbraw/zinc/48/28/90/553482890.db2.gz QJTMGLQIRIZAQJ-UHFFFAOYSA-N -1 1 508.021 4.179 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2C)cc1 ZINC000013678402 553483451 /nfs/dbraw/zinc/48/34/51/553483451.db2.gz IVKPIXVORVTSEH-NRFANRHFSA-N -1 1 507.612 4.265 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2C)cc1 ZINC000013678405 553483461 /nfs/dbraw/zinc/48/34/61/553483461.db2.gz IVKPIXVORVTSEH-OAQYLSRUSA-N -1 1 507.612 4.265 40 0 KIABMM Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013678698 553483436 /nfs/dbraw/zinc/48/34/36/553483436.db2.gz JVWHFQOQGOAAGQ-UHFFFAOYSA-N -1 1 500.580 4.373 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2C)cc1 ZINC000013679929 553484015 /nfs/dbraw/zinc/48/40/15/553484015.db2.gz ULOZTRNWCBKQMA-UHFFFAOYSA-N -1 1 513.641 4.141 40 0 KIABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000013679986 553484060 /nfs/dbraw/zinc/48/40/60/553484060.db2.gz UIERWOWECYOPHJ-UHFFFAOYSA-N -1 1 513.641 4.223 40 0 KIABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1)S(C)(=O)=O ZINC000013680944 553484378 /nfs/dbraw/zinc/48/43/78/553484378.db2.gz NPUPCYSROZXGMP-UHFFFAOYSA-N -1 1 522.048 4.487 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)cc2C)cc1 ZINC000013681359 553484396 /nfs/dbraw/zinc/48/43/96/553484396.db2.gz QOIRUYQCKDNUHS-NRFANRHFSA-N -1 1 507.612 4.265 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)cc2C)cc1 ZINC000013681362 553484371 /nfs/dbraw/zinc/48/43/71/553484371.db2.gz QOIRUYQCKDNUHS-OAQYLSRUSA-N -1 1 507.612 4.265 40 0 KIABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1)S(C)(=O)=O ZINC000013681651 553484623 /nfs/dbraw/zinc/48/46/23/553484623.db2.gz KLXVNOXDYVZZMP-UHFFFAOYSA-N -1 1 501.630 4.142 40 0 KIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000013682236 553484680 /nfs/dbraw/zinc/48/46/80/553484680.db2.gz UGDVENSTTORSEL-UHFFFAOYSA-N -1 1 513.641 4.223 40 0 KIABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000013682649 553484715 /nfs/dbraw/zinc/48/47/15/553484715.db2.gz ACXRQJCVUWQDNP-UHFFFAOYSA-N -1 1 500.580 4.373 40 0 KIABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1)S(C)(=O)=O ZINC000013683160 553484941 /nfs/dbraw/zinc/48/49/41/553484941.db2.gz ZAYXINZJOABBTM-UHFFFAOYSA-N -1 1 508.021 4.179 40 0 KIABMM COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000013778996 553490456 /nfs/dbraw/zinc/49/04/56/553490456.db2.gz DCADHTLNFGSTNF-FUDKSRODSA-N -1 1 508.914 4.107 40 0 KIABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c1 ZINC000014153747 553503587 /nfs/dbraw/zinc/50/35/87/553503587.db2.gz GCSOCAVGQQCTBO-UHFFFAOYSA-N -1 1 510.568 4.238 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)ccc2C)c1 ZINC000014153905 553503846 /nfs/dbraw/zinc/50/38/46/553503846.db2.gz YQTQNSPUXJNBOJ-UHFFFAOYSA-N -1 1 507.612 4.137 40 0 KIABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(C)(=O)=O)cc1C ZINC000014154157 553503974 /nfs/dbraw/zinc/50/39/74/553503974.db2.gz RYKQTUCFLOJURL-HXUWFJFHSA-N -1 1 515.657 4.206 40 0 KIABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)S(C)(=O)=O)cc1C ZINC000014154159 553503961 /nfs/dbraw/zinc/50/39/61/553503961.db2.gz RYKQTUCFLOJURL-FQEVSTJZSA-N -1 1 515.657 4.206 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)ccc2C)cc1C ZINC000014154691 553504588 /nfs/dbraw/zinc/50/45/88/553504588.db2.gz GXIRQPZRDFIKCU-UHFFFAOYSA-N -1 1 507.612 4.137 40 0 KIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000014154810 553504566 /nfs/dbraw/zinc/50/45/66/553504566.db2.gz ZXBGEGCGFZNLLA-QGZVFWFLSA-N -1 1 522.048 4.242 40 0 KIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000014154812 553504597 /nfs/dbraw/zinc/50/45/97/553504597.db2.gz ZXBGEGCGFZNLLA-KRWDZBQOSA-N -1 1 522.048 4.242 40 0 KIABMM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000014155035 553504757 /nfs/dbraw/zinc/50/47/57/553504757.db2.gz QHARTKGNXLXCIZ-UHFFFAOYSA-N -1 1 513.641 4.223 40 0 KIABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000014155169 553504964 /nfs/dbraw/zinc/50/49/64/553504964.db2.gz GWEVMUQNVAATAL-QGZVFWFLSA-N -1 1 522.048 4.242 40 0 KIABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000014155171 553504944 /nfs/dbraw/zinc/50/49/44/553504944.db2.gz GWEVMUQNVAATAL-KRWDZBQOSA-N -1 1 522.048 4.242 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2C)c(C)c1 ZINC000014155179 553505003 /nfs/dbraw/zinc/50/50/03/553505003.db2.gz FXHNXWFJDJCRCG-UHFFFAOYSA-N -1 1 521.639 4.099 40 0 KIABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000014155228 553504914 /nfs/dbraw/zinc/50/49/14/553504914.db2.gz WANFBIZKRVMLAU-UHFFFAOYSA-N -1 1 514.412 4.418 40 0 KIABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3)c2)cc1 ZINC000014155308 553504928 /nfs/dbraw/zinc/50/49/28/553504928.db2.gz ZPYWQTPKBCHYQD-UHFFFAOYSA-N -1 1 515.657 4.387 40 0 KIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc2C)c1 ZINC000014155725 553505340 /nfs/dbraw/zinc/50/53/40/553505340.db2.gz SXNWAYAVEPCYFH-UHFFFAOYSA-N -1 1 501.630 4.061 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2C)cc1C ZINC000014155790 553505356 /nfs/dbraw/zinc/50/53/56/553505356.db2.gz QFYPHOWPTYTMRB-UHFFFAOYSA-N -1 1 527.668 4.449 40 0 KIABMM CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1 ZINC000014396548 553514887 /nfs/dbraw/zinc/51/48/87/553514887.db2.gz HXLMSIWSUZFVSL-UHFFFAOYSA-N -1 1 508.021 4.179 40 0 KIABMM CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2)cc1 ZINC000014398109 553515101 /nfs/dbraw/zinc/51/51/01/553515101.db2.gz PVWRZZDGWQSBDJ-UHFFFAOYSA-N -1 1 522.048 4.487 40 0 KIABMM Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000014398925 553515073 /nfs/dbraw/zinc/51/50/73/553515073.db2.gz CZJQXELONFWBFA-UHFFFAOYSA-N -1 1 515.657 4.289 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000014398987 553515226 /nfs/dbraw/zinc/51/52/26/553515226.db2.gz CBKLOEHNDCSZIX-UHFFFAOYSA-N -1 1 516.417 4.339 40 0 KIABMM CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1 ZINC000014400010 553515233 /nfs/dbraw/zinc/51/52/33/553515233.db2.gz IXTLQQUXHKSASW-UHFFFAOYSA-N -1 1 508.021 4.179 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccc(F)cc3)S(C)(=O)=O)cc2)c1 ZINC000014400657 553515466 /nfs/dbraw/zinc/51/54/66/553515466.db2.gz OAHJOKYYWQHIML-UHFFFAOYSA-N -1 1 519.620 4.120 40 0 KIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000014400757 553515453 /nfs/dbraw/zinc/51/54/53/553515453.db2.gz VJAJZHXNSQJVAQ-UHFFFAOYSA-N -1 1 519.620 4.120 40 0 KIABMM CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000014401580 553515661 /nfs/dbraw/zinc/51/56/61/553515661.db2.gz HCCSYDYHDAHULJ-UHFFFAOYSA-N -1 1 522.048 4.487 40 0 KIABMM Cc1noc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3cccc4c3cccc4N(C)C)cc2)c1C ZINC000016265791 553557948 /nfs/dbraw/zinc/55/79/48/553557948.db2.gz GHOWLAGKUMNLQK-UHFFFAOYSA-N -1 1 500.602 4.112 40 0 KIABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000016607795 553569026 /nfs/dbraw/zinc/56/90/26/553569026.db2.gz NJMSAXXLZUMLAT-UIOOFZCWSA-N -1 1 518.577 4.473 40 0 KIABMM CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000019856937 553628705 /nfs/dbraw/zinc/62/87/05/553628705.db2.gz ZBMFRNIQQXCJNJ-UHFFFAOYSA-N -1 1 509.609 4.289 40 0 KIABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 ZINC000019856944 553628697 /nfs/dbraw/zinc/62/86/97/553628697.db2.gz OYAXRWKWPPNTKK-UHFFFAOYSA-N -1 1 508.021 4.097 40 0 KIABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 ZINC000019856988 553628695 /nfs/dbraw/zinc/62/86/95/553628695.db2.gz VDHHHJUQRCEBQR-UHFFFAOYSA-N -1 1 508.021 4.097 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)cc1Cl ZINC000019856999 553628725 /nfs/dbraw/zinc/62/87/25/553628725.db2.gz XFZNJUMWHUSUQI-UHFFFAOYSA-N -1 1 508.021 4.097 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000019932242 553635505 /nfs/dbraw/zinc/63/55/05/553635505.db2.gz LIVBZDPMQVADDK-UHFFFAOYSA-N -1 1 513.641 4.055 40 0 KIABMM Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000019934050 553636034 /nfs/dbraw/zinc/63/60/34/553636034.db2.gz TYYJSWVFETUUBK-UHFFFAOYSA-N -1 1 511.003 4.499 40 0 KIABMM COc1ccc([C@@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1OC ZINC000020023084 553662563 /nfs/dbraw/zinc/66/25/63/553662563.db2.gz CGQYYHBVMUIPMO-MRXNPFEDSA-N -1 1 504.992 4.414 40 0 KIABMM COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)cc1OC ZINC000020023087 553662524 /nfs/dbraw/zinc/66/25/24/553662524.db2.gz CGQYYHBVMUIPMO-INIZCTEOSA-N -1 1 504.992 4.414 40 0 KIABMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000020039079 553668228 /nfs/dbraw/zinc/66/82/28/553668228.db2.gz GFWKGXKINYMVMO-UHFFFAOYSA-N -1 1 520.032 4.377 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)c2)cc1 ZINC000020045226 553669714 /nfs/dbraw/zinc/66/97/14/553669714.db2.gz JXFWGVPQVOFYIS-UHFFFAOYSA-N -1 1 508.021 4.097 40 0 KIABMM COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020046704 553670007 /nfs/dbraw/zinc/67/00/07/553670007.db2.gz SOXXAORTTYHXON-UHFFFAOYSA-N -1 1 516.019 4.468 40 0 KIABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c(C)c1 ZINC000020060687 553672020 /nfs/dbraw/zinc/67/20/20/553672020.db2.gz SKBFQLYZMJZAOF-UHFFFAOYSA-N -1 1 522.048 4.162 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)c1 ZINC000020060700 553672238 /nfs/dbraw/zinc/67/22/38/553672238.db2.gz LXVUPEXBNWGLNQ-UHFFFAOYSA-N -1 1 515.657 4.126 40 0 KIABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1 ZINC000020060707 553672142 /nfs/dbraw/zinc/67/21/42/553672142.db2.gz MQNBWOFDHPQGBA-UHFFFAOYSA-N -1 1 522.048 4.162 40 0 KIABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000020060730 553672200 /nfs/dbraw/zinc/67/22/00/553672200.db2.gz FVXCUIXWLDSALE-UHFFFAOYSA-N -1 1 523.636 4.354 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)cc2)c1 ZINC000020060738 553672464 /nfs/dbraw/zinc/67/24/64/553672464.db2.gz XQLOIJWDKDCEBK-UHFFFAOYSA-N -1 1 522.048 4.162 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000020060739 553672485 /nfs/dbraw/zinc/67/24/85/553672485.db2.gz NYTTZGAQTYDVEL-UHFFFAOYSA-N -1 1 515.657 4.126 40 0 KIABMM Cc1cccc(C)c1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000020060785 553672682 /nfs/dbraw/zinc/67/26/82/553672682.db2.gz AFSDHMHVQIANGM-UHFFFAOYSA-N -1 1 522.048 4.162 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000020060804 553672644 /nfs/dbraw/zinc/67/26/44/553672644.db2.gz CMPFSVIDUGBNCE-UHFFFAOYSA-N -1 1 522.048 4.162 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)c1 ZINC000020060830 553672930 /nfs/dbraw/zinc/67/29/30/553672930.db2.gz FDEFBEMEXIFBOE-UHFFFAOYSA-N -1 1 522.048 4.162 40 0 KIABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(C)(=O)=O ZINC000020060835 553673036 /nfs/dbraw/zinc/67/30/36/553673036.db2.gz CYYAAESWMGOOQA-UHFFFAOYSA-N -1 1 515.657 4.071 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C(C)C)cc3)S(C)(=O)=O)cc2)c1 ZINC000020060868 553672958 /nfs/dbraw/zinc/67/29/58/553672958.db2.gz JWPATCOLTJUXGL-UHFFFAOYSA-N -1 1 515.657 4.324 40 0 KIABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)c(C)c1 ZINC000020060904 553673230 /nfs/dbraw/zinc/67/32/30/553673230.db2.gz GVMRCRXDPAPVLX-UHFFFAOYSA-N -1 1 515.657 4.126 40 0 KIABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000020060906 553673191 /nfs/dbraw/zinc/67/31/91/553673191.db2.gz FUHPPSBDVRPARS-UHFFFAOYSA-N -1 1 523.636 4.354 40 0 KIABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000020060920 553673482 /nfs/dbraw/zinc/67/34/82/553673482.db2.gz JQSACZROJUFHMR-UHFFFAOYSA-N -1 1 522.048 4.162 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)c1 ZINC000020060992 553673731 /nfs/dbraw/zinc/67/37/31/553673731.db2.gz RFFZARHHINWSQQ-UHFFFAOYSA-N -1 1 522.048 4.162 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000020061075 553673965 /nfs/dbraw/zinc/67/39/65/553673965.db2.gz IWODCYZVFDVIOC-UHFFFAOYSA-N -1 1 515.657 4.126 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000020061090 553673972 /nfs/dbraw/zinc/67/39/72/553673972.db2.gz FMCOHNYMGWQSRN-UHFFFAOYSA-N -1 1 515.657 4.126 40 0 KIABMM O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000020061138 553674261 /nfs/dbraw/zinc/67/42/61/553674261.db2.gz RKHKNVUAXNNDCL-UHFFFAOYSA-N -1 1 521.620 4.321 40 0 KIABMM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 ZINC000020061182 553674471 /nfs/dbraw/zinc/67/44/71/553674471.db2.gz JDPGOLJPEBVRAE-UHFFFAOYSA-N -1 1 522.048 4.162 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1 ZINC000020061230 553674736 /nfs/dbraw/zinc/67/47/36/553674736.db2.gz UYFVDCCHODSKGF-UHFFFAOYSA-N -1 1 515.657 4.126 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 ZINC000020061245 553674727 /nfs/dbraw/zinc/67/47/27/553674727.db2.gz BYPYAPCUYNUOKQ-UHFFFAOYSA-N -1 1 522.048 4.162 40 0 KIABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)cc1 ZINC000020104215 553688179 /nfs/dbraw/zinc/68/81/79/553688179.db2.gz RAGCOJQKUFKZML-UHFFFAOYSA-N -1 1 522.048 4.424 40 0 KIABMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000020110347 553693338 /nfs/dbraw/zinc/69/33/38/553693338.db2.gz APNQYEQNXXZAOX-UHFFFAOYSA-N -1 1 506.005 4.068 40 0 KIABMM COCCNC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020110494 553693523 /nfs/dbraw/zinc/69/35/23/553693523.db2.gz OSZFHELZEHTBQM-UHFFFAOYSA-N -1 1 501.992 4.078 40 0 KIABMM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c(Cl)c1Cl ZINC000020110875 553693787 /nfs/dbraw/zinc/69/37/87/553693787.db2.gz UQJMFHWHBRSQFT-UHFFFAOYSA-N -1 1 517.416 4.010 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)c(Cl)c2)cc1 ZINC000020452333 553651624 /nfs/dbraw/zinc/65/16/24/553651624.db2.gz RGVRSSIBQOFIJH-UHFFFAOYSA-N -1 1 514.003 4.174 40 0 KIABMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)ccc1N1CCCC1=O ZINC000020453876 553652255 /nfs/dbraw/zinc/65/22/55/553652255.db2.gz WFNBDQSZYHMQLK-UHFFFAOYSA-N -1 1 520.032 4.377 40 0 KIABMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000020454488 553652650 /nfs/dbraw/zinc/65/26/50/553652650.db2.gz OIPQWWDJRKDHKR-UHFFFAOYSA-N -1 1 520.032 4.377 40 0 KIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000020455550 553652850 /nfs/dbraw/zinc/65/28/50/553652850.db2.gz PMEUNTNDHHHTEZ-UHFFFAOYSA-N -1 1 527.668 4.364 40 0 KIABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020460378 553655216 /nfs/dbraw/zinc/65/52/16/553655216.db2.gz OMAYHXJCKANWBU-UHFFFAOYSA-N -1 1 504.948 4.197 40 0 KIABMM COc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)c(OC)c1OC ZINC000020481187 553657683 /nfs/dbraw/zinc/65/76/83/553657683.db2.gz XYKZQDHACSTXPA-UHFFFAOYSA-N -1 1 504.992 4.405 40 0 KIABMM Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)c1 ZINC000020486630 553659225 /nfs/dbraw/zinc/65/92/25/553659225.db2.gz VDOJFLXYRPQXJK-UHFFFAOYSA-N -1 1 513.641 4.340 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020490228 553660314 /nfs/dbraw/zinc/66/03/14/553660314.db2.gz XQIJDLUMUSLAEZ-UHFFFAOYSA-N -1 1 520.032 4.178 40 0 KIABMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)ccc1N1CCCC1=O ZINC000020490569 553660652 /nfs/dbraw/zinc/66/06/52/553660652.db2.gz WUUHDKGKYCQBJO-UHFFFAOYSA-N -1 1 520.032 4.377 40 0 KIABMM COCCCNC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2)ccc1Cl ZINC000020490971 553663745 /nfs/dbraw/zinc/66/37/45/553663745.db2.gz JENJZDAFPKRCLZ-UHFFFAOYSA-N -1 1 516.019 4.468 40 0 KIABMM COCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000020492522 553665761 /nfs/dbraw/zinc/66/57/61/553665761.db2.gz DKKJJLJQOXZOPW-UHFFFAOYSA-N -1 1 501.992 4.078 40 0 KIABMM CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1 ZINC000020493317 553666113 /nfs/dbraw/zinc/66/61/13/553666113.db2.gz VDDPIJXOCONMDW-UHFFFAOYSA-N -1 1 514.412 4.418 40 0 KIABMM O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020495604 553667772 /nfs/dbraw/zinc/66/77/72/553667772.db2.gz QOAHNTSTXSKNCR-SFHVURJKSA-N -1 1 514.003 4.302 40 0 KIABMM O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000020495607 553667565 /nfs/dbraw/zinc/66/75/65/553667565.db2.gz QOAHNTSTXSKNCR-GOSISDBHSA-N -1 1 514.003 4.302 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000021578448 553713842 /nfs/dbraw/zinc/71/38/42/553713842.db2.gz VHMSDBSZWWRIKN-UHFFFAOYSA-N -1 1 520.076 4.269 40 0 KIABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022110346 553726690 /nfs/dbraw/zinc/72/66/90/553726690.db2.gz ABIODOOPYCQSMV-UHFFFAOYSA-N -1 1 500.588 4.223 40 0 KIABMM COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000022509120 553743042 /nfs/dbraw/zinc/74/30/42/553743042.db2.gz SCAGPUQLTWODSY-UHFFFAOYSA-N -1 1 501.992 4.159 40 0 KIABMM CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1 ZINC000022518621 553743966 /nfs/dbraw/zinc/74/39/66/553743966.db2.gz VDWHGLLOQNSEHG-UHFFFAOYSA-N -1 1 514.412 4.418 40 0 KIABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c(Cl)c1 ZINC000022524920 553744405 /nfs/dbraw/zinc/74/44/05/553744405.db2.gz AQULDBLPCYOFDU-UHFFFAOYSA-N -1 1 514.412 4.418 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)c1 ZINC000022529150 553745160 /nfs/dbraw/zinc/74/51/60/553745160.db2.gz OKQPCJFGZGKYMS-UHFFFAOYSA-N -1 1 508.021 4.381 40 0 KIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(=O)N1CCCC1 ZINC000026114596 553816193 /nfs/dbraw/zinc/81/61/93/553816193.db2.gz UZDFKERHJIYCQA-UHFFFAOYSA-N -1 1 502.399 4.050 40 0 KIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1C(=O)N1CCCC1 ZINC000026115107 553816126 /nfs/dbraw/zinc/81/61/26/553816126.db2.gz DMCFJGODCDJEHV-UHFFFAOYSA-N -1 1 516.426 4.358 40 0 KIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1C(=O)N1CCCCC1 ZINC000026115817 553816590 /nfs/dbraw/zinc/81/65/90/553816590.db2.gz WFWLAKUKUZJDSR-UHFFFAOYSA-N -1 1 516.426 4.440 40 0 KIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(Cl)c2)cc1C(=O)N1CCOCC1 ZINC000026117690 553816838 /nfs/dbraw/zinc/81/68/38/553816838.db2.gz AFZRDDLEGRBWKS-UHFFFAOYSA-N -1 1 505.843 4.098 40 0 KIABMM O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(I)cc3)ccc21 ZINC000028206587 553837718 /nfs/dbraw/zinc/83/77/18/553837718.db2.gz ZLBLFDZRLTURAP-UHFFFAOYSA-N -1 1 504.349 4.295 40 0 KIABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030751829 553855916 /nfs/dbraw/zinc/85/59/16/553855916.db2.gz NRKDDFFWASDEEZ-UHFFFAOYSA-N -1 1 504.948 4.197 40 0 KIABMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000030752637 553856324 /nfs/dbraw/zinc/85/63/24/553856324.db2.gz QMNOVALCLUTBCB-UHFFFAOYSA-N -1 1 506.005 4.068 40 0 KIABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)cc3)cc2)cc1Cl ZINC000030755954 553856910 /nfs/dbraw/zinc/85/69/10/553856910.db2.gz LMQBWCYXJILJDE-UHFFFAOYSA-N -1 1 520.032 4.377 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000030756696 553856850 /nfs/dbraw/zinc/85/68/50/553856850.db2.gz UEJHPEFIYDPIMP-UHFFFAOYSA-N -1 1 527.668 4.282 40 0 KIABMM COC(=O)c1cc(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc(C(=O)OC)c1 ZINC000030757851 553857068 /nfs/dbraw/zinc/85/70/68/553857068.db2.gz WWSFWPOFXXLWQB-UHFFFAOYSA-N -1 1 516.959 4.275 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000030758570 553857160 /nfs/dbraw/zinc/85/71/60/553857160.db2.gz JDJKSNAREBWJIB-UHFFFAOYSA-N -1 1 520.032 4.178 40 0 KIABMM Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000030869579 553860154 /nfs/dbraw/zinc/86/01/54/553860154.db2.gz VSFJWGXFHQCNDG-UHFFFAOYSA-N -1 1 513.641 4.340 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccccc3C(=O)N3CCOCC3)c2)cc1 ZINC000038753177 554275739 /nfs/dbraw/zinc/27/57/39/554275739.db2.gz CKASGTBDCHRIDM-UHFFFAOYSA-N -1 1 514.003 4.174 40 0 KIABMM COc1ccccc1N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)CC1 ZINC000038753680 554275816 /nfs/dbraw/zinc/27/58/16/554275816.db2.gz PLLVJLPDRUTDNS-UHFFFAOYSA-N -1 1 500.020 4.420 40 0 KIABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 ZINC000038754050 554276017 /nfs/dbraw/zinc/27/60/17/554276017.db2.gz CGJNQIZTGWUKSX-UHFFFAOYSA-N -1 1 516.959 4.275 40 0 KIABMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000038754563 554275960 /nfs/dbraw/zinc/27/59/60/554275960.db2.gz YGZOUKNNNILDFW-UHFFFAOYSA-N -1 1 506.005 4.068 40 0 KIABMM O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000038754607 554276048 /nfs/dbraw/zinc/27/60/48/554276048.db2.gz VGOCORVJZDJCIT-SFHVURJKSA-N -1 1 514.003 4.302 40 0 KIABMM O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000038754609 554275978 /nfs/dbraw/zinc/27/59/78/554275978.db2.gz VGOCORVJZDJCIT-GOSISDBHSA-N -1 1 514.003 4.302 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(CS(=O)(=O)N4CCCCC4)cc3)cc2)c1 ZINC000038755194 554276402 /nfs/dbraw/zinc/27/64/02/554276402.db2.gz OLNGDUCJURTAJK-UHFFFAOYSA-N -1 1 527.668 4.364 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)c(Cl)c2)cc1 ZINC000038755638 554276580 /nfs/dbraw/zinc/27/65/80/554276580.db2.gz QOPRECAWHGHHFA-UHFFFAOYSA-N -1 1 508.021 4.097 40 0 KIABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)cc1Cl ZINC000038755672 554276587 /nfs/dbraw/zinc/27/65/87/554276587.db2.gz GOFVPIFDYSJHDF-UHFFFAOYSA-N -1 1 514.412 4.418 40 0 KIABMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)ccc1N1CCCC1=O ZINC000038757269 554277005 /nfs/dbraw/zinc/27/70/05/554277005.db2.gz XGFQWFJFISKADD-UHFFFAOYSA-N -1 1 520.032 4.377 40 0 KIABMM COc1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c(OC)c1OC ZINC000038757325 554276982 /nfs/dbraw/zinc/27/69/82/554276982.db2.gz FWTVTXYSEVDBHY-UHFFFAOYSA-N -1 1 504.992 4.405 40 0 KIABMM CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1Cl ZINC000038772844 554277590 /nfs/dbraw/zinc/27/75/90/554277590.db2.gz KMPYHLWKGVPAKD-UHFFFAOYSA-N -1 1 514.412 4.418 40 0 KIABMM COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400331 554284911 /nfs/dbraw/zinc/28/49/11/554284911.db2.gz CUTHWYHFRODLRE-CYBMUJFWSA-N -1 1 507.856 4.259 40 0 KIABMM COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000040400333 554284950 /nfs/dbraw/zinc/28/49/50/554284950.db2.gz CUTHWYHFRODLRE-ZDUSSCGKSA-N -1 1 507.856 4.259 40 0 KIABMM Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)c(C)c1 ZINC000044841639 554304138 /nfs/dbraw/zinc/30/41/38/554304138.db2.gz UXUJPAISRZYKPY-UHFFFAOYSA-N -1 1 513.641 4.340 40 0 KIABMM COC(=O)c1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 ZINC000044850332 554305288 /nfs/dbraw/zinc/30/52/88/554305288.db2.gz MMFGCNFNCWWJQO-UHFFFAOYSA-N -1 1 509.005 4.178 40 0 KIABMM COC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc(C(=O)OC)c1 ZINC000044885138 554307899 /nfs/dbraw/zinc/30/78/99/554307899.db2.gz GNZTYVWHNRRNNU-UHFFFAOYSA-N -1 1 516.959 4.275 40 0 KIABMM COCCCNC(=O)c1ccccc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000044903925 554309408 /nfs/dbraw/zinc/30/94/08/554309408.db2.gz JWIJOFRRUHITGP-UHFFFAOYSA-N -1 1 501.992 4.159 40 0 KIABMM Cc1c(NC(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000044946278 554309947 /nfs/dbraw/zinc/30/99/47/554309947.db2.gz BDJLCIPLOBZCIH-UHFFFAOYSA-N -1 1 511.003 4.499 40 0 KIABMM COc1ccccc1N1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2Cl)CC1 ZINC000044947404 554310421 /nfs/dbraw/zinc/31/04/21/554310421.db2.gz SVFXJVUECISACE-UHFFFAOYSA-N -1 1 500.020 4.420 40 0 KIABMM COc1cc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)cc(OC)c1 ZINC000059530796 554406729 /nfs/dbraw/zinc/40/67/29/554406729.db2.gz DUJHBQGBQJEEEP-UHFFFAOYSA-N -1 1 526.596 4.285 40 0 KIABMM COc1cc(C(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)ccc1NC(C)=O ZINC000059530804 554406735 /nfs/dbraw/zinc/40/67/35/554406735.db2.gz ZYOOUOYCIFJFEX-UHFFFAOYSA-N -1 1 538.607 4.479 40 0 KIABMM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000059651159 554417904 /nfs/dbraw/zinc/41/79/04/554417904.db2.gz PNNNURXSWZOIJK-UHFFFAOYSA-N -1 1 597.646 4.232 40 0 KIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000059852170 554450110 /nfs/dbraw/zinc/45/01/10/554450110.db2.gz QKRXBEXDMPSNCI-UHFFFAOYSA-N -1 1 578.112 4.011 40 0 KIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000059852207 554450432 /nfs/dbraw/zinc/45/04/32/554450432.db2.gz SKAZGVJNKROBNQ-UHFFFAOYSA-N -1 1 598.530 4.274 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1 ZINC000059852271 554450704 /nfs/dbraw/zinc/45/07/04/554450704.db2.gz ZKFHKMXWBUBUGT-UHFFFAOYSA-N -1 1 555.722 4.219 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)cc1 ZINC000059852551 554451865 /nfs/dbraw/zinc/45/18/65/554451865.db2.gz JLXRZDZKZNZHDB-UHFFFAOYSA-N -1 1 528.030 4.136 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000059852705 554452352 /nfs/dbraw/zinc/45/23/52/554452352.db2.gz PUNSJWZUTUSHSR-UHFFFAOYSA-N -1 1 550.058 4.186 40 0 KIABMM CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)cc1 ZINC000059852880 554452997 /nfs/dbraw/zinc/45/29/97/554452997.db2.gz DQHHTJURUBBPBD-UHFFFAOYSA-N -1 1 529.640 4.122 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)cc1Cl ZINC000059852990 554453547 /nfs/dbraw/zinc/45/35/47/554453547.db2.gz DBFNITHKVPNLBU-QFIPXVFZSA-N -1 1 570.476 4.268 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)cc1Cl ZINC000059852995 554453619 /nfs/dbraw/zinc/45/36/19/554453619.db2.gz DBFNITHKVPNLBU-JOCHJYFZSA-N -1 1 570.476 4.268 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(Cl)c2)cc1 ZINC000059853126 554453843 /nfs/dbraw/zinc/45/38/43/554453843.db2.gz GPRJKZDHZGZPSU-UHFFFAOYSA-N -1 1 528.030 4.136 40 0 KIABMM CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000059858002 554455395 /nfs/dbraw/zinc/45/53/95/554455395.db2.gz AKMSZZGDXDZXIY-FQEVSTJZSA-N -1 1 545.683 4.296 40 0 KIABMM CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000059858006 554455421 /nfs/dbraw/zinc/45/54/21/554455421.db2.gz AKMSZZGDXDZXIY-HXUWFJFHSA-N -1 1 545.683 4.296 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Cl)c3C)S(C)(=O)=O)cc2)c1 ZINC000059858014 554455325 /nfs/dbraw/zinc/45/53/25/554455325.db2.gz ASNDETXCTGTZAG-UHFFFAOYSA-N -1 1 536.075 4.471 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1Cl ZINC000059858184 554455451 /nfs/dbraw/zinc/45/54/51/554455451.db2.gz OIAPJWWSTKUJLV-UHFFFAOYSA-N -1 1 572.890 4.308 40 0 KIABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000059858336 554455613 /nfs/dbraw/zinc/45/56/13/554455613.db2.gz ABJBCEIXLYYQJC-UHFFFAOYSA-N -1 1 541.573 4.219 40 0 KIABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000059858362 554455571 /nfs/dbraw/zinc/45/55/71/554455571.db2.gz LGJPLPGSLJWKQQ-UHFFFAOYSA-N -1 1 581.672 4.339 40 0 KIABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000059858369 554455723 /nfs/dbraw/zinc/45/57/23/554455723.db2.gz FZZBQKAMKWVDPE-UHFFFAOYSA-N -1 1 553.662 4.444 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000059858375 554455684 /nfs/dbraw/zinc/45/56/84/554455684.db2.gz RFBVQNOENUHAOY-UHFFFAOYSA-N -1 1 545.536 4.050 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1Cl ZINC000059858484 554455955 /nfs/dbraw/zinc/45/59/55/554455955.db2.gz XDDPNTHJBBCISO-UHFFFAOYSA-N -1 1 528.439 4.199 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(F)cc1 ZINC000059858716 554456347 /nfs/dbraw/zinc/45/63/47/554456347.db2.gz WZSYBKYRWFKQPB-UHFFFAOYSA-N -1 1 527.599 4.184 40 0 KIABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1OC ZINC000059881854 554457468 /nfs/dbraw/zinc/45/74/68/554457468.db2.gz FRHYVOISVZPBPR-UHFFFAOYSA-N -1 1 569.661 4.063 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)cc2)c1 ZINC000059881959 554457423 /nfs/dbraw/zinc/45/74/23/554457423.db2.gz MRAXIPBSNJTTCB-UHFFFAOYSA-N -1 1 541.573 4.219 40 0 KIABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000059882301 554458080 /nfs/dbraw/zinc/45/80/80/554458080.db2.gz NSGYQPLVESVWFI-UHFFFAOYSA-N -1 1 581.672 4.339 40 0 KIABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000059882312 554458174 /nfs/dbraw/zinc/45/81/74/554458174.db2.gz ZDZZVRPWCANKLL-UHFFFAOYSA-N -1 1 552.074 4.253 40 0 KIABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1C ZINC000059882415 554458150 /nfs/dbraw/zinc/45/81/50/554458150.db2.gz MOPVLCBAZNFTIN-UHFFFAOYSA-N -1 1 536.075 4.471 40 0 KIABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1Cl ZINC000059882590 554458464 /nfs/dbraw/zinc/45/84/64/554458464.db2.gz HFKXXELFIMWJNE-UHFFFAOYSA-N -1 1 552.074 4.171 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000059882678 554458706 /nfs/dbraw/zinc/45/87/06/554458706.db2.gz SVNQRBCJBLAFCV-UHFFFAOYSA-N -1 1 528.439 4.199 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)cc2)c1 ZINC000059882768 554458949 /nfs/dbraw/zinc/45/89/49/554458949.db2.gz AXSLOKOUKXPGIK-UHFFFAOYSA-N -1 1 566.499 4.271 40 0 KIABMM CCOc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000059882783 554459032 /nfs/dbraw/zinc/45/90/32/554459032.db2.gz JTKWZGJPURFKLH-UHFFFAOYSA-N -1 1 571.599 4.310 40 0 KIABMM Cc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)c1C ZINC000059882855 554459010 /nfs/dbraw/zinc/45/90/10/554459010.db2.gz YRHSTBMFNUHVIG-UHFFFAOYSA-N -1 1 566.499 4.271 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(Br)cc1 ZINC000059882858 554458963 /nfs/dbraw/zinc/45/89/63/554458963.db2.gz FFBIUPCRQGJVFT-UHFFFAOYSA-N -1 1 617.341 4.417 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1Br ZINC000059882916 554459319 /nfs/dbraw/zinc/45/93/19/554459319.db2.gz GENVQWOUDOXGEW-UHFFFAOYSA-N -1 1 617.341 4.417 40 0 KIABMM Cc1cccc(C)c1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000059883198 554459877 /nfs/dbraw/zinc/45/98/77/554459877.db2.gz NIHVGADRRNBOBI-UHFFFAOYSA-N -1 1 566.499 4.271 40 0 KIABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1Cl ZINC000059883902 554461472 /nfs/dbraw/zinc/46/14/72/554461472.db2.gz RVKFRCUHWRVGGM-UHFFFAOYSA-N -1 1 558.465 4.208 40 0 KIABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1C ZINC000059883932 554461446 /nfs/dbraw/zinc/46/14/46/554461446.db2.gz PAMVIVVYULFUCL-UHFFFAOYSA-N -1 1 566.499 4.271 40 0 KIABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)cc1 ZINC000059884043 554461770 /nfs/dbraw/zinc/46/17/70/554461770.db2.gz KEWFQECITYMISD-UHFFFAOYSA-N -1 1 539.635 4.054 40 0 KIABMM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)cc1 ZINC000059884207 554462010 /nfs/dbraw/zinc/46/20/10/554462010.db2.gz ZTBCDSWJLPBJPC-UHFFFAOYSA-N -1 1 541.573 4.219 40 0 KIABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1)S(C)(=O)=O ZINC000059884218 554462055 /nfs/dbraw/zinc/46/20/55/554462055.db2.gz LXCKLISYXVPYHF-UHFFFAOYSA-N -1 1 552.074 4.171 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)cc3C)S(C)(=O)=O)cc2)c1 ZINC000059884345 554462486 /nfs/dbraw/zinc/46/24/86/554462486.db2.gz QDVTXDRZLPLKFQ-UHFFFAOYSA-N -1 1 536.075 4.471 40 0 KIABMM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000059884574 554462797 /nfs/dbraw/zinc/46/27/97/554462797.db2.gz LYKWTLLWOOEENB-UHFFFAOYSA-N -1 1 569.661 4.063 40 0 KIABMM CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000059884593 554462781 /nfs/dbraw/zinc/46/27/81/554462781.db2.gz ZSWZBWSJVZTSDQ-UHFFFAOYSA-N -1 1 566.499 4.217 40 0 KIABMM CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000059884617 554463116 /nfs/dbraw/zinc/46/31/16/554463116.db2.gz YAVYAAMJTIESHN-UHFFFAOYSA-N -1 1 553.662 4.444 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 ZINC000059885050 554463987 /nfs/dbraw/zinc/46/39/87/554463987.db2.gz ZICLGORGNIUIDA-UHFFFAOYSA-N -1 1 572.890 4.308 40 0 KIABMM COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)S(C)(=O)=O ZINC000059885246 554464180 /nfs/dbraw/zinc/46/41/80/554464180.db2.gz PBPZHVZNBLUBHV-UHFFFAOYSA-N -1 1 602.916 4.317 40 0 KIABMM COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000059885265 554464158 /nfs/dbraw/zinc/46/41/58/554464158.db2.gz RACXNDRXKOPOAF-UHFFFAOYSA-N -1 1 552.074 4.171 40 0 KIABMM COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000059885320 554464423 /nfs/dbraw/zinc/46/44/23/554464423.db2.gz JZIDKBXAHHLNOL-UHFFFAOYSA-N -1 1 539.635 4.054 40 0 KIABMM COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000059885374 554464495 /nfs/dbraw/zinc/46/44/95/554464495.db2.gz DMXWZFCNUWGIPS-UHFFFAOYSA-N -1 1 581.672 4.339 40 0 KIABMM Cc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)S(C)(=O)=O ZINC000059885749 554465074 /nfs/dbraw/zinc/46/50/74/554465074.db2.gz PWNJFBQDCVQJIH-UHFFFAOYSA-N -1 1 541.573 4.219 40 0 KIABMM O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000059885755 554465108 /nfs/dbraw/zinc/46/51/08/554465108.db2.gz ZJQWAGNNVDKPPP-UHFFFAOYSA-N -1 1 539.610 4.461 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cccc(Cl)c1 ZINC000059885859 554465517 /nfs/dbraw/zinc/46/55/17/554465517.db2.gz PCMMRJUZSWAVIB-UHFFFAOYSA-N -1 1 572.890 4.308 40 0 KIABMM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059885912 554465624 /nfs/dbraw/zinc/46/56/24/554465624.db2.gz MBYUFHWEXUUWHU-INIZCTEOSA-N -1 1 582.498 4.052 40 0 KIABMM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)cc1 ZINC000059885914 554465721 /nfs/dbraw/zinc/46/57/21/554465721.db2.gz MBYUFHWEXUUWHU-MRXNPFEDSA-N -1 1 582.498 4.052 40 0 KIABMM Cc1cc(C)cc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 ZINC000059886016 554465655 /nfs/dbraw/zinc/46/56/55/554465655.db2.gz SVSAFWVRRMXTTI-UHFFFAOYSA-N -1 1 536.075 4.471 40 0 KIABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 ZINC000059886492 554466656 /nfs/dbraw/zinc/46/66/56/554466656.db2.gz XGTPLXOEKUMKKT-UHFFFAOYSA-N -1 1 536.075 4.471 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(Cl)ccc3C)S(C)(=O)=O)cc2)c1 ZINC000059886495 554466599 /nfs/dbraw/zinc/46/65/99/554466599.db2.gz FMAMETCIXRPGCK-UHFFFAOYSA-N -1 1 536.075 4.471 40 0 KIABMM Cc1cccc(C)c1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1)S(C)(=O)=O ZINC000059886590 554466975 /nfs/dbraw/zinc/46/69/75/554466975.db2.gz AZRGWQZRXOKPOY-UHFFFAOYSA-N -1 1 536.075 4.471 40 0 KIABMM Cc1ccc(C)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)S(C)(=O)=O)c1 ZINC000059886617 554467029 /nfs/dbraw/zinc/46/70/29/554467029.db2.gz SNZHGABRCSCXET-UHFFFAOYSA-N -1 1 566.499 4.271 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000059887309 554468735 /nfs/dbraw/zinc/46/87/35/554468735.db2.gz CPAPHKRFHBEHHM-UHFFFAOYSA-N -1 1 528.439 4.199 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cccc(Br)c1 ZINC000059887512 554469092 /nfs/dbraw/zinc/46/90/92/554469092.db2.gz OLZFXXYBLYPXHO-UHFFFAOYSA-N -1 1 617.341 4.417 40 0 KIABMM 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COc1ccc(C)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000059888386 554471083 /nfs/dbraw/zinc/47/10/83/554471083.db2.gz YPZQONWNNHMIDM-UHFFFAOYSA-N -1 1 553.662 4.362 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)cc2)c1 ZINC000059888903 554472159 /nfs/dbraw/zinc/47/21/59/554472159.db2.gz ZPWPVQKUFIMUQG-UHFFFAOYSA-N -1 1 566.499 4.271 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1Br ZINC000059889046 554472178 /nfs/dbraw/zinc/47/21/78/554472178.db2.gz JJXOXKPWFFSHSW-UHFFFAOYSA-N -1 1 572.890 4.308 40 0 KIABMM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)Oc2ccc(Cl)cc21 ZINC000059923014 554472840 /nfs/dbraw/zinc/47/28/40/554472840.db2.gz HVBRUOZXTBXHGK-RUZDIDTESA-N -1 1 572.064 4.460 40 0 KIABMM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)Oc2ccc(Cl)cc21 ZINC000059923018 554472820 /nfs/dbraw/zinc/47/28/20/554472820.db2.gz HVBRUOZXTBXHGK-VWLOTQADSA-N -1 1 572.064 4.460 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C)c1 ZINC000059923667 554473809 /nfs/dbraw/zinc/47/38/09/554473809.db2.gz PZOCAKCKHMNQBC-UHFFFAOYSA-N -1 1 543.667 4.150 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1N1CCCC1=O ZINC000059923996 554474835 /nfs/dbraw/zinc/47/48/35/554474835.db2.gz QBNBNLNAOUANGN-UHFFFAOYSA-N -1 1 529.640 4.040 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1cccc(CN2CCOCC2)c1 ZINC000059924021 554474801 /nfs/dbraw/zinc/47/48/01/554474801.db2.gz ZQRKMGURLPNKPJ-UHFFFAOYSA-N -1 1 530.444 4.334 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 ZINC000059924502 554475531 /nfs/dbraw/zinc/47/55/31/554475531.db2.gz IEFCOBSWNBNTBH-UHFFFAOYSA-N -1 1 534.059 4.486 40 0 KIABMM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)Oc2ccc(Cl)cc21 ZINC000059924839 554476268 /nfs/dbraw/zinc/47/62/68/554476268.db2.gz UZZJTXMMEQLEAD-OAQYLSRUSA-N -1 1 600.900 4.069 40 0 KIABMM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)Oc2ccc(Cl)cc21 ZINC000059924842 554476077 /nfs/dbraw/zinc/47/60/77/554476077.db2.gz UZZJTXMMEQLEAD-NRFANRHFSA-N -1 1 600.900 4.069 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000060017936 554488524 /nfs/dbraw/zinc/48/85/24/554488524.db2.gz OUFXTLUESWGUFE-UHFFFAOYSA-N -1 1 543.667 4.150 40 0 KIABMM CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1F ZINC000060017992 554488859 /nfs/dbraw/zinc/48/88/59/554488859.db2.gz RTQBTWJZBOIZIN-UHFFFAOYSA-N -1 1 575.471 4.185 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1N1CCCC1=O ZINC000060018086 554489072 /nfs/dbraw/zinc/48/90/72/554489072.db2.gz UFDKXSXFGMDDQQ-UHFFFAOYSA-N -1 1 536.031 4.077 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000060018337 554489462 /nfs/dbraw/zinc/48/94/62/554489462.db2.gz NHYBOXCENRPILD-UHFFFAOYSA-N -1 1 565.673 4.055 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000060018436 554489725 /nfs/dbraw/zinc/48/97/25/554489725.db2.gz BXHWQJQOCTZGOX-QHCPKHFHSA-N -1 1 541.695 4.101 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000060018441 554489650 /nfs/dbraw/zinc/48/96/50/554489650.db2.gz BXHWQJQOCTZGOX-HSZRJFAPSA-N -1 1 541.695 4.101 40 0 KIABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2)c1 ZINC000060028154 554490470 /nfs/dbraw/zinc/49/04/70/554490470.db2.gz FMFNHZGWJMUVCP-UHFFFAOYSA-N -1 1 531.656 4.052 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1N1CCCC1=O ZINC000060028161 554490442 /nfs/dbraw/zinc/49/04/42/554490442.db2.gz HEWBXHXMYGBHEQ-UHFFFAOYSA-N -1 1 580.482 4.186 40 0 KIABMM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1 ZINC000060028192 554491085 /nfs/dbraw/zinc/49/10/85/554491085.db2.gz UWAUVZIRADOOFZ-UHFFFAOYSA-N -1 1 550.456 4.178 40 0 KIABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000060028299 554492021 /nfs/dbraw/zinc/49/20/21/554492021.db2.gz VBMCQOWRBUTBAA-UHFFFAOYSA-N -1 1 545.683 4.360 40 0 KIABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1 ZINC000060028335 554492191 /nfs/dbraw/zinc/49/21/91/554492191.db2.gz UCAFBTFQBMRIHM-UHFFFAOYSA-N -1 1 531.656 4.052 40 0 KIABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl ZINC000060028522 554493133 /nfs/dbraw/zinc/49/31/33/554493133.db2.gz QFJGUJSACJYMHR-UHFFFAOYSA-N -1 1 538.047 4.088 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000060028581 554493645 /nfs/dbraw/zinc/49/36/45/554493645.db2.gz QPEWHFCNWLUMOU-UHFFFAOYSA-N -1 1 550.058 4.186 40 0 KIABMM Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000060028724 554494960 /nfs/dbraw/zinc/49/49/60/554494960.db2.gz QUBIXDNBQVABNE-UHFFFAOYSA-N -1 1 551.650 4.256 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1N1CCCC1=O ZINC000060028767 554495253 /nfs/dbraw/zinc/49/52/53/554495253.db2.gz ZRUDVMBGNALMAT-UHFFFAOYSA-N -1 1 550.058 4.385 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1N1CCCC1=O ZINC000060028795 554495665 /nfs/dbraw/zinc/49/56/65/554495665.db2.gz XBFVNZIUYVOXBG-UHFFFAOYSA-N -1 1 529.640 4.040 40 0 KIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000060028844 554496390 /nfs/dbraw/zinc/49/63/90/554496390.db2.gz DNIZPIXYJMGRDN-XMMPIXPASA-N -1 1 555.722 4.409 40 0 KIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)cc1 ZINC000060028845 554496356 /nfs/dbraw/zinc/49/63/56/554496356.db2.gz DNIZPIXYJMGRDN-DEOSSOPVSA-N -1 1 555.722 4.409 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1N1CCCC1=O ZINC000060028862 554496286 /nfs/dbraw/zinc/49/62/86/554496286.db2.gz ZORMXCSLRORKPT-UHFFFAOYSA-N -1 1 529.640 4.040 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1N1CCCC1=O ZINC000060028871 554496580 /nfs/dbraw/zinc/49/65/80/554496580.db2.gz IFAMKGQXPJCWGR-UHFFFAOYSA-N -1 1 536.031 4.077 40 0 KIABMM Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000060042944 554497157 /nfs/dbraw/zinc/49/71/57/554497157.db2.gz UIEFGBNXVWJIJQ-UHFFFAOYSA-N -1 1 522.608 4.244 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000060042975 554497240 /nfs/dbraw/zinc/49/72/40/554497240.db2.gz KHGRRGGVMJIGIM-UHFFFAOYSA-N -1 1 557.694 4.458 40 0 KIABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000060043204 554497598 /nfs/dbraw/zinc/49/75/98/554497598.db2.gz CNIRINQHYNQMPI-UHFFFAOYSA-N -1 1 545.683 4.360 40 0 KIABMM Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)ccc1N1CCCC1=O ZINC000060060156 554498414 /nfs/dbraw/zinc/49/84/14/554498414.db2.gz XMYJVLCWGUIFIJ-UHFFFAOYSA-N -1 1 564.483 4.486 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000060060555 554499813 /nfs/dbraw/zinc/49/98/13/554499813.db2.gz WUXGDDAKHGHDLM-UHFFFAOYSA-N -1 1 543.667 4.150 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1N1CCCC1=O ZINC000060060691 554500379 /nfs/dbraw/zinc/50/03/79/554500379.db2.gz YKGHYEBOKHDTPA-UHFFFAOYSA-N -1 1 569.583 4.442 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1N1CCCC1=O ZINC000060060842 554501083 /nfs/dbraw/zinc/50/10/83/554501083.db2.gz BWEVBXLTOIOYES-UHFFFAOYSA-N -1 1 536.031 4.077 40 0 KIABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000060060904 554501319 /nfs/dbraw/zinc/50/13/19/554501319.db2.gz JDODXLXEVLYWJP-UHFFFAOYSA-N -1 1 552.074 4.397 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1N1CCCC1=O ZINC000060060918 554501354 /nfs/dbraw/zinc/50/13/54/554501354.db2.gz GFMKNJBXFZBIEJ-UHFFFAOYSA-N -1 1 550.058 4.385 40 0 KIABMM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)ccc1Cl ZINC000060060940 554501342 /nfs/dbraw/zinc/50/13/42/554501342.db2.gz SNCKVNXPAOEDRH-UHFFFAOYSA-N -1 1 558.041 4.292 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000060061054 554501729 /nfs/dbraw/zinc/50/17/29/554501729.db2.gz DCIZQSPWYFGULJ-UHFFFAOYSA-N -1 1 564.085 4.495 40 0 KIABMM [NH3+][C@H](C(=O)[O-])[C@@H](O)c1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1 ZINC000094306998 553696687 /nfs/dbraw/zinc/69/66/87/553696687.db2.gz QIFVILYTCIFAPL-RYUDHWBXSA-N -1 1 792.871 4.048 40 0 in-vitro KIABMM [NH3+][C@H](C(=O)[O-])[C@H](O)c1cc(I)c(Oc2cc(I)c([O-])c(I)c2)c(I)c1 ZINC000094307000 553696573 /nfs/dbraw/zinc/69/65/73/553696573.db2.gz QIFVILYTCIFAPL-NWDGAFQWSA-N -1 1 792.871 4.048 40 0 in-vitro KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C(=O)NC(C)C ZINC000100089964 554210343 /nfs/dbraw/zinc/21/03/43/554210343.db2.gz XVVUCQYULZXPNL-UHFFFAOYSA-N -1 1 552.074 4.397 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)C2)cc1 ZINC000100090783 554211087 /nfs/dbraw/zinc/21/10/87/554211087.db2.gz KBLGHHRHEMHBEB-LJQANCHMSA-N -1 1 578.112 4.497 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(C)c(Cl)c4)cc3)C2)cc1 ZINC000100090784 554210982 /nfs/dbraw/zinc/21/09/82/554210982.db2.gz KBLGHHRHEMHBEB-IBGZPJMESA-N -1 1 578.112 4.497 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1C(=O)NC(C)C ZINC000100090800 554211172 /nfs/dbraw/zinc/21/11/72/554211172.db2.gz QHCMKUSBUZKCIY-UHFFFAOYSA-N -1 1 538.047 4.088 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1C(=O)NC(C)C ZINC000100091183 554211331 /nfs/dbraw/zinc/21/13/31/554211331.db2.gz IFQCDJGVUPBDAM-UHFFFAOYSA-N -1 1 531.656 4.052 40 0 KIABMM CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)Oc2ccccc21 ZINC000100091582 554211863 /nfs/dbraw/zinc/21/18/63/554211863.db2.gz YNWAOOGCTBQOQQ-AREMUKBSSA-N -1 1 551.646 4.196 40 0 KIABMM CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)Oc2ccccc21 ZINC000100091588 554211928 /nfs/dbraw/zinc/21/19/28/554211928.db2.gz YNWAOOGCTBQOQQ-SANMLTNESA-N -1 1 551.646 4.196 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)C2)cc1 ZINC000100091844 554212214 /nfs/dbraw/zinc/21/22/14/554212214.db2.gz XLPRCKXTFJRFNY-LJQANCHMSA-N -1 1 578.112 4.497 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4cccc(Cl)c4C)cc3)C2)cc1 ZINC000100091847 554212250 /nfs/dbraw/zinc/21/22/50/554212250.db2.gz XLPRCKXTFJRFNY-IBGZPJMESA-N -1 1 578.112 4.497 40 0 KIABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)ccc1OC ZINC000100092399 554212656 /nfs/dbraw/zinc/21/26/56/554212656.db2.gz DQLOFUXPEYFUJL-UHFFFAOYSA-N -1 1 538.047 4.008 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)C2)cc1 ZINC000100094117 554214686 /nfs/dbraw/zinc/21/46/86/554214686.db2.gz SWRIRKYTHGIGSV-SFHVURJKSA-N -1 1 608.536 4.298 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]c4ccc(Br)cc4)cc3)C2)cc1 ZINC000100094120 554214766 /nfs/dbraw/zinc/21/47/66/554214766.db2.gz SWRIRKYTHGIGSV-GOSISDBHSA-N -1 1 608.536 4.298 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000100094208 554214658 /nfs/dbraw/zinc/21/46/58/554214658.db2.gz HJDLJKJBQLVSDF-HHHXNRCGSA-N -1 1 563.657 4.224 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1 ZINC000100094214 554214786 /nfs/dbraw/zinc/21/47/86/554214786.db2.gz HJDLJKJBQLVSDF-MHZLTWQESA-N -1 1 563.657 4.224 40 0 KIABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)ccc1OC ZINC000100094228 554214776 /nfs/dbraw/zinc/21/47/76/554214776.db2.gz MUYXFPPMTUXDQP-UHFFFAOYSA-N -1 1 539.635 4.200 40 0 KIABMM CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)Oc2ccccc21 ZINC000100094536 554215091 /nfs/dbraw/zinc/21/50/91/554215091.db2.gz LLLQUECQTHOVJJ-HSZRJFAPSA-N -1 1 550.058 4.005 40 0 KIABMM CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2)Oc2ccccc21 ZINC000100094541 554215098 /nfs/dbraw/zinc/21/50/98/554215098.db2.gz LLLQUECQTHOVJJ-QHCPKHFHSA-N -1 1 550.058 4.005 40 0 KIABMM CCN(c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)cc1)S(C)(=O)=O ZINC000100095511 554216356 /nfs/dbraw/zinc/21/63/56/554216356.db2.gz XAQDOSBJHOIUDO-UHFFFAOYSA-N -1 1 552.472 4.288 40 0 KIABMM CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)Oc2ccccc21 ZINC000100095673 554216323 /nfs/dbraw/zinc/21/63/23/554216323.db2.gz UGQHPVAVHZLBBK-JOCHJYFZSA-N -1 1 570.476 4.350 40 0 KIABMM CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)Oc2ccccc21 ZINC000100095678 554216299 /nfs/dbraw/zinc/21/62/99/554216299.db2.gz UGQHPVAVHZLBBK-QFIPXVFZSA-N -1 1 570.476 4.350 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)CCCc4ccccc4)CC3)cc2)c1 ZINC000100096109 554217102 /nfs/dbraw/zinc/21/71/02/554217102.db2.gz STFKUYSYNLIMHK-UHFFFAOYSA-N -1 1 555.722 4.409 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1C(=O)NC(C)C ZINC000100096350 554217464 /nfs/dbraw/zinc/21/74/64/554217464.db2.gz ZHXVXBURQIYQLK-UHFFFAOYSA-N -1 1 538.047 4.088 40 0 KIABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1OC ZINC000100096464 554217902 /nfs/dbraw/zinc/21/79/02/554217902.db2.gz XCDDBFNDLFIDLO-UHFFFAOYSA-N -1 1 558.465 4.353 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1C(=O)NC(C)C ZINC000100096564 554217918 /nfs/dbraw/zinc/21/79/18/554217918.db2.gz UIMKTSPQWYJFPR-UHFFFAOYSA-N -1 1 531.656 4.052 40 0 KIABMM Cc1ccc(C2=N/C(=C\c3cc(I)cc(I)c3[O-])C(=O)O2)cc1 ZINC000100135740 554226714 /nfs/dbraw/zinc/22/67/14/554226714.db2.gz JDPXYEUQHSKQBF-AUWJEWJLSA-N -1 1 531.087 4.254 40 0 KIABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000100217333 554250850 /nfs/dbraw/zinc/25/08/50/554250850.db2.gz VPTMVGHXWGVRST-QCHPHUCNSA-N -1 1 557.466 4.054 40 0 KIABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([O-])c(Br)c3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000100217340 554250900 /nfs/dbraw/zinc/25/09/00/554250900.db2.gz VPTMVGHXWGVRST-VZIOXZNFSA-N -1 1 557.466 4.054 40 0 KIABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([O-])c(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000100223393 554252416 /nfs/dbraw/zinc/25/24/16/554252416.db2.gz XGRCSSULDWMLHI-FJWZAKCXSA-N -1 1 557.466 4.054 40 0 KIABMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([O-])c(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1 ZINC000100223397 554252452 /nfs/dbraw/zinc/25/24/52/554252452.db2.gz XGRCSSULDWMLHI-RQLGBQGVSA-N -1 1 557.466 4.054 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)Nc4nc(C)c(C)s4)o3)cc2)cc1 ZINC000100372909 554357792 /nfs/dbraw/zinc/35/77/92/554357792.db2.gz GSVUHGGPKOXUPI-UHFFFAOYSA-N -1 1 531.641 4.350 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(SCC(=O)c4ccc5c(c4)OCCO5)o3)cc2)cc1 ZINC000100372920 554358408 /nfs/dbraw/zinc/35/84/08/554358408.db2.gz DIWLUODLFCZQTK-UHFFFAOYSA-N -1 1 539.591 4.292 40 0 KIABMM COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)c1 ZINC000100378370 554361722 /nfs/dbraw/zinc/36/17/22/554361722.db2.gz RCPQTXLHYSAIEN-UHFFFAOYSA-N -1 1 526.596 4.285 40 0 KIABMM CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)c1 ZINC000100378380 554361710 /nfs/dbraw/zinc/36/17/10/554361710.db2.gz VWVULWRIDTUYAJ-UHFFFAOYSA-N -1 1 538.607 4.445 40 0 KIABMM COC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)c1 ZINC000100378387 554361716 /nfs/dbraw/zinc/36/17/16/554361716.db2.gz NYQHWCLJXZINJC-UHFFFAOYSA-N -1 1 524.580 4.055 40 0 KIABMM CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)cc1 ZINC000100378392 554361698 /nfs/dbraw/zinc/36/16/98/554361698.db2.gz YVOSELHFUXXEGR-UHFFFAOYSA-N -1 1 523.596 4.227 40 0 KIABMM COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)o2)cc1 ZINC000100378422 554361692 /nfs/dbraw/zinc/36/16/92/554361692.db2.gz KIRNDFCMESWAJE-UHFFFAOYSA-N -1 1 524.580 4.055 40 0 KIABMM COc1cc2c(cc1CN(Cc1cc(=O)[n-]c(-c3ccccn3)n1)Cc1cc3c(cc1OC)OCCO3)OCCO2 ZINC000100493101 554403407 /nfs/dbraw/zinc/40/34/07/554403407.db2.gz ZWKBBDXZIHWSIK-UHFFFAOYSA-N -1 1 558.591 4.006 40 0 KIABMM O=S(=O)([N-]c1cccc(S(=O)(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1)c1ccccc1 ZINC000100979300 554547475 /nfs/dbraw/zinc/54/74/75/554547475.db2.gz FMSSQKMEVCEPTJ-UHFFFAOYSA-N -1 1 528.633 4.121 40 0 KIABMM COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000101160447 554659548 /nfs/dbraw/zinc/65/95/48/554659548.db2.gz DCADHTLNFGSTNF-GIWBLDEGSA-N -1 1 508.914 4.107 40 0 KIABMM COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([O-])c(Br)c4)c(=O)n32)c1 ZINC000101469176 554781456 /nfs/dbraw/zinc/78/14/56/554781456.db2.gz WKSFWXRKWSUZJK-PNZYDNNZSA-N -1 1 576.472 4.351 40 0 KIABMM COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([O-])c(Br)c4)c(=O)n32)c1 ZINC000101469180 554781347 /nfs/dbraw/zinc/78/13/47/554781347.db2.gz WKSFWXRKWSUZJK-CBYYHRJHSA-N -1 1 576.472 4.351 40 0 KIABMM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)cc2CCN2C(=O)c3cccc4cccc(c43)C2=O)cc1 ZINC000102027558 554867671 /nfs/dbraw/zinc/86/76/71/554867671.db2.gz VECZHGAWJOPPDU-UHFFFAOYSA-N -1 1 574.611 4.283 40 0 KIABMM O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000102356870 554915479 /nfs/dbraw/zinc/91/54/79/554915479.db2.gz MFIDAJOSZXENFC-AWEZNQCLSA-N -1 1 522.281 4.359 40 0 KIABMM O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)Nc2nc(Nc3cccc(C(F)(F)F)c3)[n-]c(=O)c21 ZINC000102356874 554915671 /nfs/dbraw/zinc/91/56/71/554915671.db2.gz MFIDAJOSZXENFC-CQSZACIVSA-N -1 1 522.281 4.359 40 0 KIABMM COc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000102553577 554963211 /nfs/dbraw/zinc/96/32/11/554963211.db2.gz YJAORXRYIKPBMF-GIWBLDEGSA-N -1 1 553.365 4.216 40 0 KIABMM COc1ccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC ZINC000102553590 554963217 /nfs/dbraw/zinc/96/32/17/554963217.db2.gz YJAORXRYIKPBMF-FUDKSRODSA-N -1 1 553.365 4.216 40 0 KIABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000102572695 554971060 /nfs/dbraw/zinc/97/10/60/554971060.db2.gz NJMSAXXLZUMLAT-CLJLJLNGSA-N -1 1 518.577 4.473 40 0 KIABMM Cc1[n-]n(-c2ccccc2)c(=O)c1C1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000102572699 554971043 /nfs/dbraw/zinc/97/10/43/554971043.db2.gz NJMSAXXLZUMLAT-ZAWMEEFFSA-N -1 1 518.577 4.473 40 0 KIABMM COc1ccc([N-]S(=O)(=O)c2c(OC)ccc3cc(S(=O)(=O)Nc4ccc(OC)cc4OC)ccc32)c(OC)c1 ZINC000102612385 554981974 /nfs/dbraw/zinc/98/19/74/554981974.db2.gz CPQCTUZHAHFAPN-UHFFFAOYSA-N -1 1 588.660 4.484 40 0 KIABMM COc1ccc(OC)c([N-]S(=O)(=O)c2c(OC)ccc3cc(S(=O)(=O)Nc4cc(OC)ccc4OC)ccc32)c1 ZINC000102612388 554982020 /nfs/dbraw/zinc/98/20/20/554982020.db2.gz VUPSLRLSNOWJHL-UHFFFAOYSA-N -1 1 588.660 4.484 40 0 KIABMM COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(C(=O)[O-])c1OC 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571441044 /nfs/dbraw/zinc/44/10/44/571441044.db2.gz QCCLGUUDDMVATM-UHFFFAOYSA-N -1 1 538.445 4.182 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c1 ZINC000139668155 571453246 /nfs/dbraw/zinc/45/32/46/571453246.db2.gz GDYWNHHPASOFEY-XMMPIXPASA-N -1 1 555.722 4.409 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)CCCc4ccccc4)C3)cc2)c1 ZINC000139668310 571453195 /nfs/dbraw/zinc/45/31/95/571453195.db2.gz GDYWNHHPASOFEY-DEOSSOPVSA-N -1 1 555.722 4.409 40 0 KIABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000139673376 571453405 /nfs/dbraw/zinc/45/34/05/571453405.db2.gz MMUHANQZEUBCIT-UHFFFAOYSA-N -1 1 531.656 4.052 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000139685702 571453413 /nfs/dbraw/zinc/45/34/13/571453413.db2.gz XOPUXVZDOSWUMH-UHFFFAOYSA-N -1 1 543.667 4.150 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1N1CCCC1=O ZINC000139689504 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/nfs/dbraw/zinc/46/75/80/571467580.db2.gz UTCQSFJKOYGULK-WDYNHAJCSA-N -1 1 657.793 4.256 40 0 KIABMM CC(C)(C)OC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000150383166 571467610 /nfs/dbraw/zinc/46/76/10/571467610.db2.gz UTCQSFJKOYGULK-FQLXRVMXSA-N -1 1 657.793 4.256 40 0 KIABMM COc1ccc(C(NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)[O-])(c2ccccc2)c2ccccc2)cc1 ZINC000159983131 571530679 /nfs/dbraw/zinc/53/06/79/571530679.db2.gz DKJLBNRWDGFKSZ-UHFFFAOYSA-N -1 1 713.865 4.184 40 0 KIABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(SC)cc1 ZINC000163701091 571540765 /nfs/dbraw/zinc/54/07/65/571540765.db2.gz DUOJCDIRMQETMI-JZVSFUAJSA-N -1 1 718.376 4.435 40 0 KIABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(SC)cc1 ZINC000163701219 571540800 /nfs/dbraw/zinc/54/08/00/571540800.db2.gz DUOJCDIRMQETMI-JYWRCUDFSA-N -1 1 718.376 4.435 40 0 KIABMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccccc1Cl 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CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c(Br)c(Br)c1[O-] ZINC000205779302 571571187 /nfs/dbraw/zinc/57/11/87/571571187.db2.gz CNFHQCQHKMIWNV-IZZDOVSWSA-N -1 1 523.199 4.304 40 0 KIABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c(C)c1 ZINC000215901779 571586981 /nfs/dbraw/zinc/58/69/81/571586981.db2.gz SORKBLBWOUPYDX-UHFFFAOYSA-N -1 1 531.656 4.052 40 0 KIABMM Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)ccc2Cl)cc1 ZINC000215913044 571587354 /nfs/dbraw/zinc/58/73/54/571587354.db2.gz FLRKHDPPWONWJI-UHFFFAOYSA-N -1 1 558.041 4.292 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000215922485 571588032 /nfs/dbraw/zinc/58/80/32/571588032.db2.gz FFAHUZQFYRMSCU-UHFFFAOYSA-N -1 1 534.059 4.319 40 0 KIABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000215922717 571587949 /nfs/dbraw/zinc/58/79/49/571587949.db2.gz BSUZREWYBWQYNY-UHFFFAOYSA-N -1 1 545.683 4.360 40 0 KIABMM 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O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000215962557 571589687 /nfs/dbraw/zinc/58/96/87/571589687.db2.gz DARVVAPGWKYTEW-UHFFFAOYSA-N -1 1 592.537 4.430 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000215973373 571590206 /nfs/dbraw/zinc/59/02/06/571590206.db2.gz IDYWLLHNRMOHLZ-UHFFFAOYSA-N -1 1 557.694 4.458 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000215974863 571590219 /nfs/dbraw/zinc/59/02/19/571590219.db2.gz SCBJHVNPFVNIPL-UHFFFAOYSA-N -1 1 584.503 4.209 40 0 KIABMM Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)ccc2Cl)c1 ZINC000215987928 571590908 /nfs/dbraw/zinc/59/09/08/571590908.db2.gz UMKFESWDTJSBID-UHFFFAOYSA-N -1 1 558.041 4.292 40 0 KIABMM COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)cc2)c1C ZINC000215989929 571590762 /nfs/dbraw/zinc/59/07/62/571590762.db2.gz WLEJZDGOKRNMLR-UHFFFAOYSA-N -1 1 531.656 4.052 40 0 KIABMM CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)Oc2ccc(Cl)cc21 ZINC000216016045 571592032 /nfs/dbraw/zinc/59/20/32/571592032.db2.gz RBELOUHBYNCSOG-NRFANRHFSA-N -1 1 590.001 4.325 40 0 KIABMM CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)Oc2ccc(Cl)cc21 ZINC000216016087 571592042 /nfs/dbraw/zinc/59/20/42/571592042.db2.gz RBELOUHBYNCSOG-OAQYLSRUSA-N -1 1 590.001 4.325 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000216128722 571593040 /nfs/dbraw/zinc/59/30/40/571593040.db2.gz KAEJUJFYHBLVPO-UHFFFAOYSA-N -1 1 534.059 4.319 40 0 KIABMM COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000216260395 571593722 /nfs/dbraw/zinc/59/37/22/571593722.db2.gz LMVJSMGYAQPONG-UHFFFAOYSA-N -1 1 557.694 4.458 40 0 KIABMM CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccccc1F ZINC000216262163 571593833 /nfs/dbraw/zinc/59/38/33/571593833.db2.gz ZYFCXCINNCJHBU-UHFFFAOYSA-N -1 1 556.641 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4.392 40 0 KIABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2OC)cc1[N-]S(C)(=O)=O ZINC000225475245 571845461 /nfs/dbraw/zinc/84/54/61/571845461.db2.gz XCNXTHZKEKURCL-UIOOFZCWSA-N -1 1 549.678 4.438 40 0 KIABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2OC)cc1[N-]S(C)(=O)=O ZINC000225475284 571845406 /nfs/dbraw/zinc/84/54/06/571845406.db2.gz XCNXTHZKEKURCL-FTJBHMTQSA-N -1 1 549.678 4.438 40 0 KIABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2OC)cc1[N-]S(C)(=O)=O ZINC000225475319 571845349 /nfs/dbraw/zinc/84/53/49/571845349.db2.gz XCNXTHZKEKURCL-IZZNHLLZSA-N -1 1 549.678 4.438 40 0 KIABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2OC)cc1[N-]S(C)(=O)=O ZINC000225475357 571845832 /nfs/dbraw/zinc/84/58/32/571845832.db2.gz XCNXTHZKEKURCL-CLJLJLNGSA-N -1 1 549.678 4.438 40 0 KIABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1[N-]S(C)(=O)=O ZINC000225476372 571846659 /nfs/dbraw/zinc/84/66/59/571846659.db2.gz 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571856172 /nfs/dbraw/zinc/85/61/72/571856172.db2.gz MPKSRVKQOINROL-LOSJGSFVSA-N -1 1 519.652 4.430 40 0 KIABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1[N-]S(C)(=O)=O ZINC000225485676 571856150 /nfs/dbraw/zinc/85/61/50/571856150.db2.gz MPKSRVKQOINROL-JWQCQUIFSA-N -1 1 519.652 4.430 40 0 KIABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(N(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000225486031 571856473 /nfs/dbraw/zinc/85/64/73/571856473.db2.gz XGTHSMNDUWNRMO-SVBPBHIXSA-N -1 1 562.721 4.496 40 0 KIABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(N(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000225486063 571856422 /nfs/dbraw/zinc/85/64/22/571856422.db2.gz XGTHSMNDUWNRMO-SXOMAYOGSA-N -1 1 562.721 4.496 40 0 KIABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(N(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000225486101 571856496 /nfs/dbraw/zinc/85/64/96/571856496.db2.gz XGTHSMNDUWNRMO-RRPNLBNLSA-N -1 1 562.721 4.496 40 0 KIABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(N(C)C)cc2)cc1[N-]S(C)(=O)=O ZINC000225486137 571856605 /nfs/dbraw/zinc/85/66/05/571856605.db2.gz XGTHSMNDUWNRMO-KAYWLYCHSA-N -1 1 562.721 4.496 40 0 KIABMM COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000225487091 571858121 /nfs/dbraw/zinc/85/81/21/571858121.db2.gz HTXKNLMNUHNNHC-CLJLJLNGSA-N -1 1 549.678 4.438 40 0 KIABMM COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000225487128 571858032 /nfs/dbraw/zinc/85/80/32/571858032.db2.gz HTXKNLMNUHNNHC-FTJBHMTQSA-N -1 1 549.678 4.438 40 0 KIABMM COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000225487163 571857930 /nfs/dbraw/zinc/85/79/30/571857930.db2.gz HTXKNLMNUHNNHC-IZZNHLLZSA-N -1 1 549.678 4.438 40 0 KIABMM COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000225487198 571857836 /nfs/dbraw/zinc/85/78/36/571857836.db2.gz HTXKNLMNUHNNHC-UIOOFZCWSA-N -1 1 549.678 4.438 40 0 KIABMM COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225487247 571858113 /nfs/dbraw/zinc/85/81/13/571858113.db2.gz UKCXQMLQBFUDPN-CLJLJLNGSA-N -1 1 549.678 4.438 40 0 KIABMM COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225487280 571857974 /nfs/dbraw/zinc/85/79/74/571857974.db2.gz UKCXQMLQBFUDPN-FTJBHMTQSA-N -1 1 549.678 4.438 40 0 KIABMM COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225487313 571858005 /nfs/dbraw/zinc/85/80/05/571858005.db2.gz UKCXQMLQBFUDPN-IZZNHLLZSA-N -1 1 549.678 4.438 40 0 KIABMM COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225487349 571858567 /nfs/dbraw/zinc/85/85/67/571858567.db2.gz UKCXQMLQBFUDPN-UIOOFZCWSA-N -1 1 549.678 4.438 40 0 KIABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1[N-]S(C)(=O)=O ZINC000225487391 571858621 /nfs/dbraw/zinc/85/86/21/571858621.db2.gz OTTNMBOTPDXSFU-DQEYMECFSA-N -1 1 535.651 4.135 40 0 KIABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1[N-]S(C)(=O)=O ZINC000225487425 571858488 /nfs/dbraw/zinc/85/84/88/571858488.db2.gz OTTNMBOTPDXSFU-RPBOFIJWSA-N -1 1 535.651 4.135 40 0 KIABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1[N-]S(C)(=O)=O ZINC000225487460 571858600 /nfs/dbraw/zinc/85/86/00/571858600.db2.gz OTTNMBOTPDXSFU-LOSJGSFVSA-N -1 1 535.651 4.135 40 0 KIABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1[N-]S(C)(=O)=O ZINC000225487498 571858605 /nfs/dbraw/zinc/85/86/05/571858605.db2.gz OTTNMBOTPDXSFU-JWQCQUIFSA-N -1 1 535.651 4.135 40 0 KIABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1[N-]S(C)(=O)=O ZINC000225488602 571859402 /nfs/dbraw/zinc/85/94/02/571859402.db2.gz FCHYXNQTPSAQCX-ZEQRLZLVSA-N -1 1 555.085 4.478 40 0 KIABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1[N-]S(C)(=O)=O ZINC000225488636 571859503 /nfs/dbraw/zinc/85/95/03/571859503.db2.gz FCHYXNQTPSAQCX-RPWUZVMVSA-N -1 1 555.085 4.478 40 0 KIABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1[N-]S(C)(=O)=O ZINC000225488668 571859322 /nfs/dbraw/zinc/85/93/22/571859322.db2.gz FCHYXNQTPSAQCX-BJKOFHAPSA-N -1 1 555.085 4.478 40 0 KIABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1[N-]S(C)(=O)=O ZINC000225488704 571859308 /nfs/dbraw/zinc/85/93/08/571859308.db2.gz FCHYXNQTPSAQCX-DNQXCXABSA-N -1 1 555.085 4.478 40 0 KIABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1[N-]S(C)(=O)=O ZINC000225493651 571863967 /nfs/dbraw/zinc/86/39/67/571863967.db2.gz GNWYXLULJZLHND-DQEYMECFSA-N -1 1 519.652 4.430 40 0 KIABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1[N-]S(C)(=O)=O ZINC000225493683 571863881 /nfs/dbraw/zinc/86/38/81/571863881.db2.gz GNWYXLULJZLHND-RPBOFIJWSA-N -1 1 519.652 4.430 40 0 KIABMM COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1[N-]S(C)(=O)=O ZINC000225493715 571864040 /nfs/dbraw/zinc/86/40/40/571864040.db2.gz GNWYXLULJZLHND-LOSJGSFVSA-N -1 1 519.652 4.430 40 0 KIABMM COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1[N-]S(C)(=O)=O ZINC000225493753 571863935 /nfs/dbraw/zinc/86/39/35/571863935.db2.gz GNWYXLULJZLHND-JWQCQUIFSA-N -1 1 519.652 4.430 40 0 KIABMM COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000225494847 571864875 /nfs/dbraw/zinc/86/48/75/571864875.db2.gz PWXMUAPZPFHLJX-CLJLJLNGSA-N -1 1 577.688 4.216 40 0 KIABMM COC(=O)c1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000225494879 571864608 /nfs/dbraw/zinc/86/46/08/571864608.db2.gz PWXMUAPZPFHLJX-FTJBHMTQSA-N -1 1 577.688 4.216 40 0 KIABMM COC(=O)c1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000225494909 571864884 /nfs/dbraw/zinc/86/48/84/571864884.db2.gz PWXMUAPZPFHLJX-IZZNHLLZSA-N -1 1 577.688 4.216 40 0 KIABMM COC(=O)c1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000225494945 571864759 /nfs/dbraw/zinc/86/47/59/571864759.db2.gz PWXMUAPZPFHLJX-UIOOFZCWSA-N -1 1 577.688 4.216 40 0 KIABMM COC(=O)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000225494993 571864766 /nfs/dbraw/zinc/86/47/66/571864766.db2.gz REVLLXOAVDHIIL-CLJLJLNGSA-N -1 1 577.688 4.216 40 0 KIABMM COC(=O)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000225495024 571864725 /nfs/dbraw/zinc/86/47/25/571864725.db2.gz REVLLXOAVDHIIL-FTJBHMTQSA-N -1 1 577.688 4.216 40 0 KIABMM COC(=O)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000225495054 571864829 /nfs/dbraw/zinc/86/48/29/571864829.db2.gz REVLLXOAVDHIIL-IZZNHLLZSA-N -1 1 577.688 4.216 40 0 KIABMM COC(=O)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000225495084 571864868 /nfs/dbraw/zinc/86/48/68/571864868.db2.gz REVLLXOAVDHIIL-UIOOFZCWSA-N -1 1 577.688 4.216 40 0 KIABMM COC(=O)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225495132 571864801 /nfs/dbraw/zinc/86/48/01/571864801.db2.gz INUGXFNNZPKGBW-CLJLJLNGSA-N -1 1 577.688 4.216 40 0 KIABMM COC(=O)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225495162 571864652 /nfs/dbraw/zinc/86/46/52/571864652.db2.gz INUGXFNNZPKGBW-FTJBHMTQSA-N -1 1 577.688 4.216 40 0 KIABMM COC(=O)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225495192 571864634 /nfs/dbraw/zinc/86/46/34/571864634.db2.gz INUGXFNNZPKGBW-IZZNHLLZSA-N -1 1 577.688 4.216 40 0 KIABMM COC(=O)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000225495229 571864794 /nfs/dbraw/zinc/86/47/94/571864794.db2.gz INUGXFNNZPKGBW-UIOOFZCWSA-N -1 1 577.688 4.216 40 0 KIABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1NC(=O)C(C)C ZINC000225537703 571903110 /nfs/dbraw/zinc/90/31/10/571903110.db2.gz GRXPIXAOQQRLFG-UHFFFAOYSA-N -1 1 525.718 4.369 40 0 KIABMM CC(C)n1c2ccc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2sc1=O ZINC000225709477 572039671 /nfs/dbraw/zinc/03/96/71/572039671.db2.gz VOEXODMLJODGRP-UHFFFAOYSA-N -1 1 509.675 4.009 40 0 KIABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2n1Cc1ccccc1 ZINC000225741284 572057246 /nfs/dbraw/zinc/05/72/46/572057246.db2.gz HFKHVFRIVHXBJB-UHFFFAOYSA-N -1 1 543.692 4.087 40 0 KIABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCCCC4)cc3)ccc2n1Cc1ccccc1 ZINC000225744409 572058718 /nfs/dbraw/zinc/05/87/18/572058718.db2.gz RCYSYZWGJYQVKO-UHFFFAOYSA-N -1 1 557.719 4.477 40 0 KIABMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1 ZINC000225748526 572059980 /nfs/dbraw/zinc/05/99/80/572059980.db2.gz PPADGOIPYGGIEB-UHFFFAOYSA-N -1 1 573.718 4.095 40 0 KIABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225787934 572068231 /nfs/dbraw/zinc/06/82/31/572068231.db2.gz VKJJWFKLYVSDDS-UHFFFAOYSA-N -1 1 564.110 4.350 40 0 KIABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc(C(=O)OC)c1 ZINC000225790707 572068666 /nfs/dbraw/zinc/06/86/66/572068666.db2.gz FOWQZKGTQLPBDL-UHFFFAOYSA-N -1 1 547.010 4.139 40 0 KIABMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1 ZINC000225793978 572070104 /nfs/dbraw/zinc/07/01/04/572070104.db2.gz UDBZTLXYDFTHDC-UHFFFAOYSA-N -1 1 502.017 4.267 40 0 KIABMM O=c1sc2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2n1Cc1ccccc1Cl ZINC000225801547 572071647 /nfs/dbraw/zinc/07/16/47/572071647.db2.gz GKXYMWJWUMCHAX-UHFFFAOYSA-N -1 1 564.110 4.350 40 0 KIABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc(C(=O)OC)c1 ZINC000225804255 572072068 /nfs/dbraw/zinc/07/20/68/572072068.db2.gz FAUJFFWXQNDQPY-UHFFFAOYSA-N -1 1 547.010 4.139 40 0 KIABMM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1 ZINC000225807215 572073036 /nfs/dbraw/zinc/07/30/36/572073036.db2.gz KUUFVEZYKSQLSW-UHFFFAOYSA-N -1 1 502.017 4.267 40 0 KIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000226080883 572130624 /nfs/dbraw/zinc/13/06/24/572130624.db2.gz RMDSZNYRNITHMV-UHFFFAOYSA-N -1 1 612.557 4.316 40 0 KIABMM COc1ccc([C@@H]2Oc3cc([O-])cc(O)c3C(=O)[C@@H]2c2c(O)cc3c(c2O)C[C@H](O)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230018671 560036086 /nfs/dbraw/zinc/03/60/86/560036086.db2.gz BKPFUQLDJWNCIK-SKLMZUNHSA-N -1 1 558.539 4.361 40 0 biogenic,in-vitro KIABMM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000248035966 572252766 /nfs/dbraw/zinc/25/27/66/572252766.db2.gz NJMSAXXLZUMLAT-CCHPKTFASA-N -1 1 518.577 4.473 40 0 KIABMM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000248035966 572252765 /nfs/dbraw/zinc/25/27/65/572252765.db2.gz NJMSAXXLZUMLAT-CCHPKTFASA-N -1 1 518.577 4.473 40 0 KIABMM COc1ccc([C@@H]2Oc3cc([O-])cc(O)c3C(=O)[C@@H]2c2c(O)cc3c(c2O)C[C@@H](O)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000253389029 565210237 /nfs/dbraw/zinc/21/02/37/565210237.db2.gz BKPFUQLDJWNCIK-XISBPEQGSA-N -1 1 558.539 4.361 40 0 biogenic,in-vitro KIABMM C[C@@]1(CCC(=O)[O-])Oc2ccccc2[C@@H]2OC[C@]3(CCCN3C(=O)c3cc(-c4cccnc4)[nH]n3)C[C@H]21 ZINC000257250199 572311103 /nfs/dbraw/zinc/31/11/03/572311103.db2.gz JLMDWLOMYYOPHN-WVFHAGKJSA-N -1 1 502.571 4.240 40 0 KIABMM C[C@@]1(CCC(=O)[O-])Oc2cc(O)ccc2[C@@H]2OC[C@]3(CCCN(C(=O)c4[nH]nc5ccccc54)C3)C[C@H]21 ZINC000257255987 572311562 /nfs/dbraw/zinc/31/15/62/572311562.db2.gz KJRAWRBHZXWXMS-RAEUPJMESA-N -1 1 505.571 4.285 40 0 KIABMM C[C@]1(CCC(=O)[O-])Oc2ccccc2[C@@H]2OC[C@]3(CCCN(C(=O)c4cc(-c5cccnc5)[nH]n4)C3)C[C@H]21 ZINC000257265986 572312549 /nfs/dbraw/zinc/31/25/49/572312549.db2.gz MBDGANXBMOLNBS-HSYZXZFHSA-N -1 1 516.598 4.488 40 0 KIABMM O=C([O-])c1sc2ccccc2c1C[C@@H]1CCCN1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000257280314 572313746 /nfs/dbraw/zinc/31/37/46/572313746.db2.gz OKJMEERMANYDJU-FQEVSTJZSA-N -1 1 541.695 4.420 40 0 KIABMM O=C([O-])c1sc2ccccc2c1C[C@H]1CCCN1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000257280315 572313812 /nfs/dbraw/zinc/31/38/12/572313812.db2.gz OKJMEERMANYDJU-HXUWFJFHSA-N -1 1 541.695 4.420 40 0 KIABMM O=C([O-])c1sc2ccccc2c1C[C@@H]1CCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000257301903 572316073 /nfs/dbraw/zinc/31/60/73/572316073.db2.gz SALQEVIJTPARIR-FQEVSTJZSA-N -1 1 541.695 4.420 40 0 KIABMM O=C([O-])c1sc2ccccc2c1C[C@H]1CCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000257301904 572316006 /nfs/dbraw/zinc/31/60/06/572316006.db2.gz SALQEVIJTPARIR-HXUWFJFHSA-N -1 1 541.695 4.420 40 0 KIABMM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(CCNC(=O)[C@H]3CCCN3C)cc2)c(OCc2ccc(Br)cc2)c1 ZINC000257306041 572316468 /nfs/dbraw/zinc/31/64/68/572316468.db2.gz SSQLLYBFYYGZFO-AREMUKBSSA-N -1 1 614.562 4.208 40 0 KIABMM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(CCNC(=O)[C@@H]3CCCN3C)cc2)c(OCc2ccc(Br)cc2)c1 ZINC000257306042 572316458 /nfs/dbraw/zinc/31/64/58/572316458.db2.gz SSQLLYBFYYGZFO-SANMLTNESA-N -1 1 614.562 4.208 40 0 KIABMM COc1cc([C@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c(Br)c(Br)c1[O-] ZINC000261363274 572105370 /nfs/dbraw/zinc/10/53/70/572105370.db2.gz QPABKKMELCRIDF-INIZCTEOSA-O -1 1 527.218 4.070 40 0 KIABMM COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[n-]c(SC)n[n+]32)c(Br)c(Br)c1[O-] ZINC000261363275 572105391 /nfs/dbraw/zinc/10/53/91/572105391.db2.gz QPABKKMELCRIDF-MRXNPFEDSA-O -1 1 527.218 4.070 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2C)c(C)c1 ZINC000408543346 572212810 /nfs/dbraw/zinc/21/28/10/572212810.db2.gz CXZGFIGEQRIPHQ-UHFFFAOYSA-N -1 1 527.668 4.449 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1I ZINC000408543483 572212719 /nfs/dbraw/zinc/21/27/19/572212719.db2.gz DSKZRCXUCBVNBM-UHFFFAOYSA-N -1 1 558.419 4.210 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2C)c1 ZINC000408544038 572214061 /nfs/dbraw/zinc/21/40/61/572214061.db2.gz GRDMGDNTQBAZGM-UHFFFAOYSA-N -1 1 513.641 4.141 40 0 KIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)ccc2C)c1 ZINC000408544080 572214787 /nfs/dbraw/zinc/21/47/87/572214787.db2.gz GYUULNZFBYATLA-UHFFFAOYSA-N -1 1 527.668 4.449 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccc(F)c(Cl)c1 ZINC000408544561 572215877 /nfs/dbraw/zinc/21/58/77/572215877.db2.gz HQHXWLYBHUAFFG-UHFFFAOYSA-N -1 1 590.880 4.447 40 0 KIABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000408544707 572216237 /nfs/dbraw/zinc/21/62/37/572216237.db2.gz IWIIZNCGPNFAGP-KRWDZBQOSA-N -1 1 522.048 4.242 40 0 KIABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)S(C)(=O)=O)cc1 ZINC000408544708 572216436 /nfs/dbraw/zinc/21/64/36/572216436.db2.gz IWIIZNCGPNFAGP-QGZVFWFLSA-N -1 1 522.048 4.242 40 0 KIABMM Cc1c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000408545419 572219100 /nfs/dbraw/zinc/21/91/00/572219100.db2.gz LJVPFBYRXMRWOW-UHFFFAOYSA-N -1 1 504.612 4.463 40 0 KIABMM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000408545426 572219069 /nfs/dbraw/zinc/21/90/69/572219069.db2.gz LMDSCXLEOVAJHJ-FQEVSTJZSA-N -1 1 515.657 4.206 40 0 KIABMM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)S(C)(=O)=O)cc1 ZINC000408545427 572219142 /nfs/dbraw/zinc/21/91/42/572219142.db2.gz LMDSCXLEOVAJHJ-HXUWFJFHSA-N -1 1 515.657 4.206 40 0 KIABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)c1 ZINC000408545749 572220632 /nfs/dbraw/zinc/22/06/32/572220632.db2.gz NVOWEWYCDCARJS-UHFFFAOYSA-N -1 1 510.568 4.238 40 0 KIABMM CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408545842 572221042 /nfs/dbraw/zinc/22/10/42/572221042.db2.gz APAYTZBZGCNCMC-UHFFFAOYSA-N -1 1 591.033 4.411 40 0 KIABMM CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)S(C)(=O)=O)c1 ZINC000408545861 572221279 /nfs/dbraw/zinc/22/12/79/572221279.db2.gz PAXKINABEZGBQZ-UHFFFAOYSA-N -1 1 569.583 4.114 40 0 KIABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2C)c1 ZINC000408546114 572222147 /nfs/dbraw/zinc/22/21/47/572222147.db2.gz QTVNQFJYAAFLOX-UHFFFAOYSA-N -1 1 521.639 4.099 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1Cl ZINC000408546380 572222698 /nfs/dbraw/zinc/22/26/98/572222698.db2.gz RXBDNSPHLNAEEE-KRWDZBQOSA-N -1 1 522.048 4.242 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1Cl ZINC000408546381 572222585 /nfs/dbraw/zinc/22/25/85/572222585.db2.gz RXBDNSPHLNAEEE-QGZVFWFLSA-N -1 1 522.048 4.242 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2C)cc1C ZINC000408546450 572223312 /nfs/dbraw/zinc/22/33/12/572223312.db2.gz SRTCSQMHIRQYIX-UHFFFAOYSA-N -1 1 521.639 4.099 40 0 KIABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1 ZINC000408546853 572224188 /nfs/dbraw/zinc/22/41/88/572224188.db2.gz WNRVTQPWGHNTRY-UHFFFAOYSA-N -1 1 515.657 4.387 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2C)c1 ZINC000408547223 572224746 /nfs/dbraw/zinc/22/47/46/572224746.db2.gz XCEDVWAEZHWAJJ-UHFFFAOYSA-N -1 1 521.639 4.099 40 0 KIABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cccc(C)c3C)c2)c1 ZINC000408547242 572224760 /nfs/dbraw/zinc/22/47/60/572224760.db2.gz XKXALMIXROMJCL-UHFFFAOYSA-N -1 1 510.568 4.238 40 0 KIABMM COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000408547298 572225347 /nfs/dbraw/zinc/22/53/47/572225347.db2.gz YOOBJMDFFRWOOL-UHFFFAOYSA-N -1 1 510.568 4.238 40 0 KIABMM Cc1c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)c(=O)n(-c2ccccc2)n1C ZINC000408547545 572226321 /nfs/dbraw/zinc/22/63/21/572226321.db2.gz ZPJWMHILDXQCNH-UHFFFAOYSA-N -1 1 504.612 4.463 40 0 KIABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000408547563 572226245 /nfs/dbraw/zinc/22/62/45/572226245.db2.gz ZTRLYLLBUJRGER-KRWDZBQOSA-N -1 1 522.048 4.242 40 0 KIABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 ZINC000408547565 572226275 /nfs/dbraw/zinc/22/62/75/572226275.db2.gz ZTRLYLLBUJRGER-QGZVFWFLSA-N -1 1 522.048 4.242 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)ccc2C)c1C ZINC000408547768 572226766 /nfs/dbraw/zinc/22/67/66/572226766.db2.gz MNQLMHDENKPOTI-UHFFFAOYSA-N -1 1 507.612 4.137 40 0 KIABMM CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)S(C)(=O)=O)c1 ZINC000408549040 572230886 /nfs/dbraw/zinc/23/08/86/572230886.db2.gz VZGFPBGWIAWLCC-UHFFFAOYSA-N -1 1 551.646 4.248 40 0 KIABMM Cc1c(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000408549079 572230789 /nfs/dbraw/zinc/23/07/89/572230789.db2.gz WQOSBIHYDWWUEX-UHFFFAOYSA-N -1 1 504.612 4.463 40 0 KIABMM CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3C)c2)cc1 ZINC000408549322 572231360 /nfs/dbraw/zinc/23/13/60/572231360.db2.gz XIXZIFRVGQSQFX-UHFFFAOYSA-N -1 1 515.657 4.387 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1)c1ccc2c(c1)OCO2 ZINC000408549391 572232206 /nfs/dbraw/zinc/23/22/06/572232206.db2.gz YTRJGXBNNAKFPF-UHFFFAOYSA-N -1 1 606.000 4.293 40 0 KIABMM CC(=O)c1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 ZINC000408549512 572232180 /nfs/dbraw/zinc/23/21/80/572232180.db2.gz ZFBISOABYBGXIH-UHFFFAOYSA-N -1 1 550.058 4.057 40 0 KIABMM CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 ZINC000408549544 572231869 /nfs/dbraw/zinc/23/18/69/572231869.db2.gz ZTTDMTLMEUQYAM-UHFFFAOYSA-N -1 1 557.481 4.046 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)c1ccccc1 ZINC000408550733 572234727 /nfs/dbraw/zinc/23/47/27/572234727.db2.gz HBTMOIOJOUFODA-UHFFFAOYSA-N -1 1 508.337 4.353 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1NC(=O)c1ccccc1F ZINC000408551245 572235708 /nfs/dbraw/zinc/23/57/08/572235708.db2.gz JRSGGLLTJLEUIP-UHFFFAOYSA-N -1 1 526.327 4.492 40 0 KIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408558578 572245885 /nfs/dbraw/zinc/24/58/85/572245885.db2.gz JTHAVWJQKNPIDJ-UHFFFAOYSA-N -1 1 578.474 4.246 40 0 KIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1)NCc1ccc2c(c1)OCO2 ZINC000408559117 572246460 /nfs/dbraw/zinc/24/64/60/572246460.db2.gz UIXUZDRLPMBCEC-UHFFFAOYSA-N -1 1 509.367 4.218 40 0 KIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)NCc1ccc2c(c1)OCO2 ZINC000408561839 572248343 /nfs/dbraw/zinc/24/83/43/572248343.db2.gz VWCGTWHQGDVJDL-UHFFFAOYSA-N -1 1 509.367 4.218 40 0 KIABMM COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)cc2)cc(C(=O)OC)c1 ZINC000408581829 572264598 /nfs/dbraw/zinc/26/45/98/572264598.db2.gz AORHFHVSCTVQQQ-UHFFFAOYSA-N -1 1 567.403 4.385 40 0 KIABMM COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cc(C(=O)OC)c1 ZINC000408584389 572265699 /nfs/dbraw/zinc/26/56/99/572265699.db2.gz PFWGAFCVKDXESN-UHFFFAOYSA-N -1 1 567.403 4.385 40 0 KIABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408585893 572266118 /nfs/dbraw/zinc/26/61/18/572266118.db2.gz KNZBBRFCMHBECY-UHFFFAOYSA-N -1 1 546.985 4.365 40 0 KIABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408586236 572266195 /nfs/dbraw/zinc/26/61/95/572266195.db2.gz MSHDBDGIRYKUDZ-UHFFFAOYSA-N -1 1 546.985 4.365 40 0 KIABMM CCCCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(OC)c3)cc2)cc1 ZINC000408587490 572266460 /nfs/dbraw/zinc/26/64/60/572266460.db2.gz CWNMHXNONGNKFR-UHFFFAOYSA-N -1 1 512.584 4.470 40 0 KIABMM NC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)cc1 ZINC000408588565 572266981 /nfs/dbraw/zinc/26/69/81/572266981.db2.gz GTILJBCIIYXYFF-UHFFFAOYSA-N -1 1 527.908 4.276 40 0 KIABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000408592256 572268543 /nfs/dbraw/zinc/26/85/43/572268543.db2.gz JPZCQLYBSDQTDS-UHFFFAOYSA-N -1 1 512.584 4.171 40 0 KIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(I)cc3)cc2)c1 ZINC000408595259 572270227 /nfs/dbraw/zinc/27/02/27/572270227.db2.gz UPNWZCZDWNNPAP-UHFFFAOYSA-N -1 1 538.363 4.118 40 0 KIABMM CC(C)OCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1Cl ZINC000408600655 572272525 /nfs/dbraw/zinc/27/25/25/572272525.db2.gz BTRVKOXZQKJAQD-UHFFFAOYSA-N -1 1 508.946 4.470 40 0 KIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)cc2)c1 ZINC000408601370 572272835 /nfs/dbraw/zinc/27/28/35/572272835.db2.gz GBZPXNUNXCKYRO-UHFFFAOYSA-N -1 1 530.046 4.185 40 0 KIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)c1 ZINC000408602070 572273150 /nfs/dbraw/zinc/27/31/50/572273150.db2.gz HQCWFOLMTSKBAE-UHFFFAOYSA-N -1 1 549.571 4.242 40 0 KIABMM CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2Cl)CC1 ZINC000408602639 572273419 /nfs/dbraw/zinc/27/34/19/572273419.db2.gz IOGNHKNSAGRGRM-UHFFFAOYSA-N -1 1 548.967 4.340 40 0 KIABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000408605581 572274547 /nfs/dbraw/zinc/27/45/47/572274547.db2.gz JODLEKDBYXIHHY-UHFFFAOYSA-N -1 1 512.584 4.469 40 0 KIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)N1CCN(c2ccc(F)cc2)CC1 ZINC000408606868 572275094 /nfs/dbraw/zinc/27/50/94/572275094.db2.gz PDFLLUJTNSWJEO-UHFFFAOYSA-N -1 1 503.983 4.008 40 0 KIABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc(C(=O)OC)c1 ZINC000408607661 572275272 /nfs/dbraw/zinc/27/52/72/572275272.db2.gz NPAHXOZVCHKDKF-UHFFFAOYSA-N -1 1 516.959 4.275 40 0 KIABMM Cc1cccc(N2CCN(C(=O)COc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3Cl)CC2)c1C ZINC000408607838 572275303 /nfs/dbraw/zinc/27/53/03/572275303.db2.gz QOJJRZZMJOVPQS-UHFFFAOYSA-N -1 1 514.047 4.485 40 0 KIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000408607910 572275329 /nfs/dbraw/zinc/27/53/29/572275329.db2.gz QZEWNPJKOZKZJR-UHFFFAOYSA-N -1 1 503.983 4.008 40 0 KIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Br)cc3F)cc2)c1 ZINC000408608604 572275527 /nfs/dbraw/zinc/27/55/27/572275527.db2.gz RNJIYCBCCWVQHL-UHFFFAOYSA-N -1 1 509.353 4.415 40 0 KIABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(O[C@@H](C)C(=O)N4CCOCC4)cc3)ccc21 ZINC000408610089 572276005 /nfs/dbraw/zinc/27/60/05/572276005.db2.gz UWHPQDINYCXGLJ-IBGZPJMESA-N -1 1 507.612 4.241 40 0 KIABMM CCn1c2ccccc2c2cc([N-]S(=O)(=O)c3ccc(O[C@H](C)C(=O)N4CCOCC4)cc3)ccc21 ZINC000408610090 572275956 /nfs/dbraw/zinc/27/59/56/572275956.db2.gz UWHPQDINYCXGLJ-LJQANCHMSA-N -1 1 507.612 4.241 40 0 KIABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cc(OC)c(Cl)cc3OC)cc2)c1 ZINC000408611511 572276546 /nfs/dbraw/zinc/27/65/46/572276546.db2.gz XGRBQVYSDKCOLP-UHFFFAOYSA-N -1 1 506.964 4.184 40 0 KIABMM Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000408613306 572277146 /nfs/dbraw/zinc/27/71/46/572277146.db2.gz WFQYNEZMSVHWAT-UHFFFAOYSA-N -1 1 500.580 4.373 40 0 KIABMM COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)cc2C)c1 ZINC000408614078 572277666 /nfs/dbraw/zinc/27/76/66/572277666.db2.gz ZXIXXOIEFVNJIW-UHFFFAOYSA-N -1 1 509.628 4.431 40 0 KIABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000408615941 572278563 /nfs/dbraw/zinc/27/85/63/572278563.db2.gz DENDUXWKZKJKOH-UHFFFAOYSA-N -1 1 512.584 4.469 40 0 KIABMM COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000408616810 572279054 /nfs/dbraw/zinc/27/90/54/572279054.db2.gz CESZVGFNWQVLGU-UHFFFAOYSA-N -1 1 509.628 4.431 40 0 KIABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)ccc3C)c2)cc(C(=O)OC)c1 ZINC000408619775 572280832 /nfs/dbraw/zinc/28/08/32/572280832.db2.gz NHKNHLMTEIKHGP-UHFFFAOYSA-N -1 1 510.568 4.238 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2C)cc1 ZINC000408620593 572281161 /nfs/dbraw/zinc/28/11/61/572281161.db2.gz PPEWVHOVLBIJOL-JOCHJYFZSA-N -1 1 507.612 4.265 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2C)cc1 ZINC000408620595 572281134 /nfs/dbraw/zinc/28/11/34/572281134.db2.gz PPEWVHOVLBIJOL-QFIPXVFZSA-N -1 1 507.612 4.265 40 0 KIABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)c2)cc(C(=O)OC)c1 ZINC000408621917 572281860 /nfs/dbraw/zinc/28/18/60/572281860.db2.gz QEMIZDLQNBVDIJ-UHFFFAOYSA-N -1 1 510.568 4.238 40 0 KIABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000408622221 572281947 /nfs/dbraw/zinc/28/19/47/572281947.db2.gz VBWNWZJQNCJPMP-UHFFFAOYSA-N -1 1 512.584 4.469 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@H]3CCCO3)ccc2C)c1 ZINC000408625480 572283469 /nfs/dbraw/zinc/28/34/69/572283469.db2.gz VIGRNQJSFQVAJD-JOCHJYFZSA-N -1 1 507.612 4.265 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NC[C@@H]3CCCO3)ccc2C)c1 ZINC000408625484 572283512 /nfs/dbraw/zinc/28/35/12/572283512.db2.gz VIGRNQJSFQVAJD-QFIPXVFZSA-N -1 1 507.612 4.265 40 0 KIABMM COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000408626881 572284142 /nfs/dbraw/zinc/28/41/42/572284142.db2.gz XZDNFWRGMDBHSS-UHFFFAOYSA-N -1 1 509.628 4.431 40 0 KIABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NCc3cccnc3)cc2)cc1 ZINC000408627408 572284555 /nfs/dbraw/zinc/28/45/55/572284555.db2.gz ZJFKFEWLHILMCE-UHFFFAOYSA-N -1 1 500.580 4.373 40 0 KIABMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000408629404 572284924 /nfs/dbraw/zinc/28/49/24/572284924.db2.gz ANQVHUNYVKDEGN-UHFFFAOYSA-N -1 1 512.584 4.469 40 0 KIABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)cc(C(=O)OC)c1 ZINC000408629437 572284945 /nfs/dbraw/zinc/28/49/45/572284945.db2.gz BEJRVFDSAFFZMB-UHFFFAOYSA-N -1 1 510.568 4.238 40 0 KIABMM COC(=O)c1cc(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)cc(C(=O)OC)c1 ZINC000408629942 572285652 /nfs/dbraw/zinc/28/56/52/572285652.db2.gz KWMHKHPVNGTUOP-UHFFFAOYSA-N -1 1 510.568 4.238 40 0 KIABMM CCCc1nc(SC(=Cc2cc(Br)c(O)c(I)c2)C(=O)[O-])n[nH]1 ZINC000408630519 572286358 /nfs/dbraw/zinc/28/63/58/572286358.db2.gz AXGJVPPQQGWQRW-POHAHGRESA-N -1 1 510.151 4.048 40 0 KIABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1C ZINC000408630618 572286241 /nfs/dbraw/zinc/28/62/41/572286241.db2.gz VUYQFKZTGXGJEX-NRFANRHFSA-N -1 1 507.612 4.265 40 0 KIABMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1C ZINC000408630619 572286339 /nfs/dbraw/zinc/28/63/39/572286339.db2.gz VUYQFKZTGXGJEX-OAQYLSRUSA-N -1 1 507.612 4.265 40 0 KIABMM CCOC(=O)COc1c(I)cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc1OC ZINC000408631166 572287119 /nfs/dbraw/zinc/28/71/19/572287119.db2.gz CMHZJPVLSCJKLS-UWVJOHFNSA-N -1 1 641.440 4.262 40 0 KIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(I)cc3)C(=O)[O-])n2)c1 ZINC000408631454 572287591 /nfs/dbraw/zinc/28/75/91/572287591.db2.gz DVVHTCRQRUVZRV-APSNUPSMSA-N -1 1 509.325 4.311 40 0 KIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(O)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408631536 572287780 /nfs/dbraw/zinc/28/77/80/572287780.db2.gz FKWDWXDAEAKOLY-SOFYXZRVSA-N -1 1 508.350 4.183 40 0 KIABMM CCn1c(SC(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408631596 572287786 /nfs/dbraw/zinc/28/77/86/572287786.db2.gz FXIBCJPTQWZURK-DOAWATSRSA-N -1 1 507.572 4.082 40 0 KIABMM CCn1c(SC(=Cc2c(C)[nH]n(-c3ccccc3)c2=O)C(=O)[O-])nnc1-c1cc(OC)cc(OC)c1 ZINC000408631598 572287775 /nfs/dbraw/zinc/28/77/75/572287775.db2.gz FXIBCJPTQWZURK-LQOIVRHRSA-N -1 1 507.572 4.082 40 0 KIABMM CCOC(=O)COc1ccc(C=C(Sc2nc(-c3cc(Cl)ccc3OC)n[nH]2)C(=O)[O-])cc1OC ZINC000408632767 572289252 /nfs/dbraw/zinc/28/92/52/572289252.db2.gz SHUNCBLYJHKZBC-GRSHGNNSSA-N -1 1 519.963 4.302 40 0 KIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)cc(OC)c3O)C(=O)[O-])n2)c1 ZINC000408632789 572289323 /nfs/dbraw/zinc/28/93/23/572289323.db2.gz KMEIDKHXVCHYIV-APSNUPSMSA-N -1 1 508.350 4.183 40 0 KIABMM CCOC(=O)Cn1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])c2ccccc21 ZINC000408633380 572290094 /nfs/dbraw/zinc/29/00/94/572290094.db2.gz MTEZMELMZSDYLQ-NHDPSOOVSA-N -1 1 508.556 4.225 40 0 KIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(OC)cc3OC)C(=O)[O-])n2)c1 ZINC000408633765 572290649 /nfs/dbraw/zinc/29/06/49/572290649.db2.gz PBFRUZMYIGVDIM-LSCVHKIXSA-N -1 1 522.377 4.486 40 0 KIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccc(OC)c(I)c3)C(=O)[O-])n2)c1 ZINC000408633773 572290622 /nfs/dbraw/zinc/29/06/22/572290622.db2.gz PEYUWZIMEAAPCJ-IDUWFGFVSA-N -1 1 539.351 4.320 40 0 KIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c(O)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408633795 572290633 /nfs/dbraw/zinc/29/06/33/572290633.db2.gz PNIAQOBDOWUJET-SOFYXZRVSA-N -1 1 555.350 4.026 40 0 KIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(I)c(OC)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408634251 572291255 /nfs/dbraw/zinc/29/12/55/572291255.db2.gz STOHNYZYAUMCHM-IDUWFGFVSA-N -1 1 569.377 4.329 40 0 KIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc4c(cc3Br)OCO4)C(=O)[O-])n2)c1 ZINC000408634313 572291371 /nfs/dbraw/zinc/29/13/71/572291371.db2.gz UDYLBOSFVJOVFN-FMQZQXMHSA-N -1 1 506.334 4.198 40 0 KIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cccc(I)c3)C(=O)[O-])n2)c1 ZINC000408634515 572291633 /nfs/dbraw/zinc/29/16/33/572291633.db2.gz VPWYAPKXGUGNII-APSNUPSMSA-N -1 1 509.325 4.311 40 0 KIABMM CCOc1cc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc(I)c1O ZINC000408634709 572291844 /nfs/dbraw/zinc/29/18/44/572291844.db2.gz WSMVUSZSGQZROT-IDUWFGFVSA-N -1 1 569.377 4.416 40 0 KIABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Br)c(OC)c(OC)c3)C(=O)[O-])n2)c1 ZINC000408634744 572291811 /nfs/dbraw/zinc/29/18/11/572291811.db2.gz XETKTHSBQNEZDS-IDUWFGFVSA-N -1 1 522.377 4.486 40 0 KIABMM CCOC(=O)COc1ccc(C=C(Sc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)C(=O)[O-])cc1OCC ZINC000408634931 195482567 /nfs/dbraw/zinc/48/25/67/195482567.db2.gz YCTYSBNJAGDAED-FBHDLOMBSA-N -1 1 529.571 4.047 40 0 KIABMM COC(=O)c1cc(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2Cl)cc(C(=O)OC)c1 ZINC000408636103 572293001 /nfs/dbraw/zinc/29/30/01/572293001.db2.gz LFYLFCJUMGHJOR-UHFFFAOYSA-N -1 1 567.403 4.385 40 0 KIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000408636530 572293387 /nfs/dbraw/zinc/29/33/87/572293387.db2.gz RSDBELJNXWNJPI-UHFFFAOYSA-N -1 1 578.474 4.246 40 0 KIABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl)NCc1ccc2c(c1)OCO2 ZINC000408636898 572293859 /nfs/dbraw/zinc/29/38/59/572293859.db2.gz VTAASORITNUCNH-UHFFFAOYSA-N -1 1 509.367 4.218 40 0 KIABMM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(F)c(F)c3)S(C)(=O)=O)cc2)cc1Cl ZINC000408677118 572318975 /nfs/dbraw/zinc/31/89/75/572318975.db2.gz AMWIEYBIIDJDKR-UHFFFAOYSA-N -1 1 544.001 4.132 40 0 KIABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2)cc1OCC ZINC000408678297 572319667 /nfs/dbraw/zinc/31/96/67/572319667.db2.gz FCRSVPCUVYIVFW-UHFFFAOYSA-N -1 1 506.602 4.094 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000408678336 572319743 /nfs/dbraw/zinc/31/97/43/572319743.db2.gz FUZLSZIOOKXZSN-UHFFFAOYSA-N -1 1 566.076 4.460 40 0 KIABMM Cc1cccc([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3cccc(C)c3)S(C)(=O)=O)cc2)c1 ZINC000408678374 572319813 /nfs/dbraw/zinc/31/98/13/572319813.db2.gz GIOWNVDAPINEPA-UHFFFAOYSA-N -1 1 515.657 4.289 40 0 KIABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000408678926 572320104 /nfs/dbraw/zinc/32/01/04/572320104.db2.gz KNVGUWZIEQLECO-UHFFFAOYSA-N -1 1 566.499 4.435 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000408679010 572320170 /nfs/dbraw/zinc/32/01/70/572320170.db2.gz HNGYOVQZIVWZJL-UHFFFAOYSA-N -1 1 515.657 4.289 40 0 KIABMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cc1 ZINC000408679091 572320261 /nfs/dbraw/zinc/32/02/61/572320261.db2.gz IGNLCLLWZZMQQH-UHFFFAOYSA-N -1 1 545.658 4.115 40 0 KIABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000408679115 572320265 /nfs/dbraw/zinc/32/02/65/572320265.db2.gz ILDBISNQVJUBPI-UHFFFAOYSA-N -1 1 522.048 4.326 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000408679506 572320517 /nfs/dbraw/zinc/32/05/17/572320517.db2.gz MUMURZWPWNDPAF-UHFFFAOYSA-N -1 1 592.537 4.430 40 0 KIABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccccc1 ZINC000408679758 572320656 /nfs/dbraw/zinc/32/06/56/572320656.db2.gz KWPAOAFMYWXCKF-UHFFFAOYSA-N -1 1 522.048 4.326 40 0 KIABMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)c1 ZINC000408679858 572320780 /nfs/dbraw/zinc/32/07/80/572320780.db2.gz MAIMFGDBVNPGQI-UHFFFAOYSA-N -1 1 533.697 4.205 40 0 KIABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000408680191 572320982 /nfs/dbraw/zinc/32/09/82/572320982.db2.gz PISLVHCLNQJSRC-UHFFFAOYSA-N -1 1 584.539 4.351 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(F)c(F)c1 ZINC000408680988 572321517 /nfs/dbraw/zinc/32/15/17/572321517.db2.gz VBIAFSNYEWTWGL-UHFFFAOYSA-N -1 1 545.589 4.324 40 0 KIABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1C(=O)N1CCCCCC1 ZINC000408693186 1064272189 /nfs/dbraw/zinc/27/21/89/1064272189.db2.gz KARXUMPUAKMGLH-UHFFFAOYSA-N -1 1 549.715 4.077 40 0 KIABMM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000408702326 1064272960 /nfs/dbraw/zinc/27/29/60/1064272960.db2.gz BHPHPMMHZZRHQK-UHFFFAOYSA-N -1 1 580.084 4.363 40 0 KIABMM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1)c1ccc2c(c1)OCCO2 ZINC000408702858 1064273127 /nfs/dbraw/zinc/27/31/27/1064273127.db2.gz IRILNJRDDQUNNA-UHFFFAOYSA-N -1 1 580.084 4.015 40 0 KIABMM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)c1ccc(F)cc1 ZINC000408706165 1064272382 /nfs/dbraw/zinc/27/23/82/1064272382.db2.gz WOBMWCOWOQXGKY-UHFFFAOYSA-N -1 1 540.038 4.465 40 0 KIABMM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cccc(F)c1 ZINC000409172972 1064275726 /nfs/dbraw/zinc/27/57/26/1064275726.db2.gz JXEOBBBWCNYYRT-UHFFFAOYSA-N -1 1 545.536 4.050 40 0 KIABMM