smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000016101436 304248303 /nfs/dbraw/zinc/24/83/03/304248303.db2.gz LXQKVAFHBQVHMD-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000003326930 181006129 /nfs/dbraw/zinc/00/61/29/181006129.db2.gz GBZDRKWTCYAPAW-UHFFFAOYSA-N -2 1 319.338 2.388 50 0 DEAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c[nH]1 ZINC000021795225 182289761 /nfs/dbraw/zinc/28/97/61/182289761.db2.gz OMGVKGXTGVSURB-UHFFFAOYSA-N -2 1 306.343 2.002 50 0 DEAAML CCc1cccc(C)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000020001607 401823258 /nfs/dbraw/zinc/82/32/58/401823258.db2.gz BZCODDGITOUMRZ-UHFFFAOYSA-N -2 1 308.359 2.385 50 0 DEAAML Cc1cc(=O)n(-c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)[n-]1 ZINC000100020476 301371404 /nfs/dbraw/zinc/37/14/04/301371404.db2.gz PYAOPBJJNCTWCB-UHFFFAOYSA-N -2 1 323.157 2.440 50 0 DEAAML CC(C)(C)OC(=O)N[C@H](Cc1ccc([O-])c(F)c1F)C(=O)[O-] ZINC000015442627 182002372 /nfs/dbraw/zinc/00/23/72/182002372.db2.gz AQIWKONTLIVVTR-MRVPVSSYSA-N -2 1 317.288 2.191 50 0 DEAAML O=C([O-])Cc1sc(-c2cccc(-n3cccc3)c2)nc1[O-] ZINC000000121352 401688231 /nfs/dbraw/zinc/68/82/31/401688231.db2.gz SCECKFITNRRBFY-GFCCVEGCSA-N -2 1 300.339 2.341 50 0 DEAAML COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000013264822 401798179 /nfs/dbraw/zinc/79/81/79/401798179.db2.gz IIEQLFNLBNODCN-UHFFFAOYSA-N -2 1 307.327 2.194 50 0 DEAAML CC(C)(C)OC(=O)N[C@H](Cc1cc(F)c([O-])c(F)c1)C(=O)[O-] ZINC000015442626 182002592 /nfs/dbraw/zinc/00/25/92/182002592.db2.gz FWRXLQAYDCVCPC-SNVBAGLBSA-N -2 1 317.288 2.191 50 0 DEAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2F)c(F)c1 ZINC000076081897 401781356 /nfs/dbraw/zinc/78/13/56/401781356.db2.gz MXTUMSTXEGQRBG-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1C ZINC000022158425 182311222 /nfs/dbraw/zinc/31/12/22/182311222.db2.gz MRVOMMXNRCYQLA-UHFFFAOYSA-N -2 1 308.359 2.141 50 0 DEAAML COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000007052958 333002539 /nfs/dbraw/zinc/00/25/39/333002539.db2.gz PUJLACZDEPWMHJ-UHFFFAOYSA-N -2 1 307.327 2.194 50 0 DEAAML Cc1nc(S[C@H](C)C(=O)[O-])[n-]c(=O)c1Cc1ccccc1 ZINC000005130089 181207348 /nfs/dbraw/zinc/20/73/48/181207348.db2.gz MKLSXKGEZOUPPD-SNVBAGLBSA-N -2 1 304.371 2.234 50 0 DEAAML COc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000020849103 182249555 /nfs/dbraw/zinc/24/95/55/182249555.db2.gz WMSAYCFROFLCEF-UHFFFAOYSA-N -2 1 313.356 2.256 50 0 DEAAML COc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000036293978 401903733 /nfs/dbraw/zinc/90/37/33/401903733.db2.gz NETKBKJMCXJOKP-UHFFFAOYSA-N -2 1 307.327 2.194 50 0 DEAAML O=C([O-])CC1([N-]S(=O)(=O)c2sccc2Cl)CCC1 ZINC000864095884 686619285 /nfs/dbraw/zinc/61/92/85/686619285.db2.gz KTYOUIJWXLDNBO-UHFFFAOYSA-N -2 1 309.796 2.077 50 0 DEAAML CCC(CC)(CC)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000073985749 401726263 /nfs/dbraw/zinc/72/62/63/401726263.db2.gz IVSZAGKXYSESQZ-UHFFFAOYSA-N -2 1 318.377 2.031 50 0 DEAAML COc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000000613118 180829209 /nfs/dbraw/zinc/82/92/09/180829209.db2.gz MFDWDBVNODEDRR-UHFFFAOYSA-N -2 1 307.327 2.194 50 0 DEAAML CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000004660876 181133742 /nfs/dbraw/zinc/13/37/42/181133742.db2.gz AMLMCXYDIOYUEN-UHFFFAOYSA-N -2 1 321.354 2.454 50 0 DEAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1 ZINC000012864748 401792840 /nfs/dbraw/zinc/79/28/40/401792840.db2.gz INOTUIJCDAUKMJ-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML CSc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000020006128 190645192 /nfs/dbraw/zinc/64/51/92/190645192.db2.gz DJUURCOQDFKFFJ-UHFFFAOYSA-N -2 1 312.372 2.236 50 0 DEAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c[nH]1 ZINC000071800735 402279124 /nfs/dbraw/zinc/27/91/24/402279124.db2.gz NGJHAAJVLDYWSN-UHFFFAOYSA-N -2 1 320.370 2.393 50 0 DEAAML O=C([N-]n1c(=O)c2ccccc2[n-]c1=S)c1ccccc1F ZINC000017053120 182071670 /nfs/dbraw/zinc/07/16/70/182071670.db2.gz FPNYZMSUULNZAM-UHFFFAOYSA-N -2 1 315.329 2.208 50 0 DEAAML Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000021812478 182291940 /nfs/dbraw/zinc/29/19/40/182291940.db2.gz NOODJTXVYJRURE-UHFFFAOYSA-N -2 1 314.750 2.476 50 0 DEAAML O=C([O-])Cc1sc(-c2cccc(-n3cccc3)c2)nc1[O-] ZINC000000121355 401688246 /nfs/dbraw/zinc/68/82/46/401688246.db2.gz SCECKFITNRRBFY-LBPRGKRZSA-N -2 1 300.339 2.341 50 0 DEAAML O=C(C[P@@](=O)([O-])O)Nc1nc2ccc(Cl)cc2s1 ZINC000020502712 418413363 /nfs/dbraw/zinc/41/33/63/418413363.db2.gz UJZBJCSQTYSICH-UHFFFAOYSA-N -2 1 306.667 2.066 50 0 DEAAML Cc1ccc(N)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000005652893 181268169 /nfs/dbraw/zinc/26/81/69/181268169.db2.gz KGOJKDGFBDIZOT-UHFFFAOYSA-N -2 1 306.343 2.076 50 0 DEAAML O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000021019375 182261507 /nfs/dbraw/zinc/26/15/07/182261507.db2.gz VGJYRTMENKZJIN-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c[nH]1 ZINC000022160666 182312061 /nfs/dbraw/zinc/31/20/61/182312061.db2.gz PNUQHSLYJPEMID-UHFFFAOYSA-N -2 1 300.723 2.167 50 0 DEAAML C[C@@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000002628595 401715900 /nfs/dbraw/zinc/71/59/00/401715900.db2.gz UEQADXFKBJNFCS-SNVBAGLBSA-N -2 1 321.354 2.239 50 0 DEAAML Cc1nc2c(-c3ccccc3)c(=O)[n-]n2c(C)c1CCC(=O)[O-] ZINC000049538561 402019422 /nfs/dbraw/zinc/01/94/22/402019422.db2.gz JZPLGOWUGVJWQS-UHFFFAOYSA-N -2 1 311.341 2.324 50 0 DEAAML O=C([O-])c1ccc(-n2cccc2C=C2SC(=O)[N-]C2=O)cc1 ZINC000004677827 181135473 /nfs/dbraw/zinc/13/54/73/181135473.db2.gz IFXMWWWMCJNWBN-XYOKQWHBSA-N -2 1 314.322 2.499 50 0 DEAAML COCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000071801275 402278794 /nfs/dbraw/zinc/27/87/94/402278794.db2.gz HUMXZHIEALDAHG-UHFFFAOYSA-N -2 1 321.354 2.332 50 0 DEAAML CC(C)Cn1cc([N-]S(=O)(=O)c2cc([O-])cc(F)c2)cn1 ZINC000585141084 357338981 /nfs/dbraw/zinc/33/89/81/357338981.db2.gz PAKRLODZFLKODW-UHFFFAOYSA-N -2 1 313.354 2.185 50 0 DEAAML O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000020226974 182199431 /nfs/dbraw/zinc/19/94/31/182199431.db2.gz RKULAAZKMNAFJN-UHFFFAOYSA-N -2 1 309.318 2.254 50 0 DEAAML COc1cccc(CSc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000026423600 401840444 /nfs/dbraw/zinc/84/04/44/401840444.db2.gz LFZNRTVWUUJJHC-UHFFFAOYSA-N -2 1 320.370 2.006 50 0 DEAAML Cc1nc(S[C@@H](C)C(=O)[O-])[n-]c(=O)c1Cc1ccccc1 ZINC000005130088 181207234 /nfs/dbraw/zinc/20/72/34/181207234.db2.gz MKLSXKGEZOUPPD-JTQLQIEISA-N -2 1 304.371 2.234 50 0 DEAAML CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000022159685 182311274 /nfs/dbraw/zinc/31/12/74/182311274.db2.gz GGDAGBKRKBHWKR-UHFFFAOYSA-N -2 1 308.359 2.087 50 0 DEAAML Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1Cl ZINC000021812566 182292689 /nfs/dbraw/zinc/29/26/89/182292689.db2.gz RMAGZBJNKMCHEU-UHFFFAOYSA-N -2 1 314.750 2.476 50 0 DEAAML CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000013264798 401798100 /nfs/dbraw/zinc/79/81/00/401798100.db2.gz WERNLGYQNHAHFH-UHFFFAOYSA-N -2 1 319.338 2.388 50 0 DEAAML Cc1cc(=O)n(-c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)[n-]1 ZINC000004720974 281699612 /nfs/dbraw/zinc/69/96/12/281699612.db2.gz KCEIVWKDBLAQKL-UHFFFAOYSA-N -2 1 323.157 2.353 50 0 DEAAML CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ncccc2[O-])C1 ZINC000091818165 193112506 /nfs/dbraw/zinc/11/25/06/193112506.db2.gz KHIWIOQSRUIYQB-QGZVFWFLSA-N -2 1 318.373 2.451 50 0 DEAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000003200030 401722552 /nfs/dbraw/zinc/72/25/52/401722552.db2.gz FHOLENLWWLBMLF-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML O=C([O-])C[N-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000002840604 401719189 /nfs/dbraw/zinc/71/91/89/401719189.db2.gz HQOGYBSSQFFXAF-UHFFFAOYSA-N -2 1 318.565 2.010 50 0 DEAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000016101431 304264015 /nfs/dbraw/zinc/26/40/15/304264015.db2.gz XASBBNVLJVZDRF-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000033685 401687395 /nfs/dbraw/zinc/68/73/95/401687395.db2.gz GRLGDWLQWOEJBS-UHFFFAOYSA-N -2 1 309.318 2.254 50 0 DEAAML CCOc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C ZINC000062639841 184246329 /nfs/dbraw/zinc/24/63/29/184246329.db2.gz REZXGKPFOIAWNY-UHFFFAOYSA-N -2 1 324.358 2.221 50 0 DEAAML CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1 ZINC000006800747 181391128 /nfs/dbraw/zinc/39/11/28/181391128.db2.gz SMCLCSHXZNOMCC-UHFFFAOYSA-N -2 1 319.338 2.388 50 0 DEAAML CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ncccc2[O-])C1 ZINC000091818167 193112317 /nfs/dbraw/zinc/11/23/17/193112317.db2.gz KHIWIOQSRUIYQB-KRWDZBQOSA-N -2 1 318.373 2.451 50 0 DEAAML O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000035306757 182768982 /nfs/dbraw/zinc/76/89/82/182768982.db2.gz NLWNCNWZIHJBRY-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML CC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000000267695 401693042 /nfs/dbraw/zinc/69/30/42/401693042.db2.gz WJVAICJNWQKRBP-UHFFFAOYSA-N -2 1 319.338 2.388 50 0 DEAAML O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000015424137 182001744 /nfs/dbraw/zinc/00/17/44/182001744.db2.gz JFKISMOGRQMUSC-UHFFFAOYSA-N -2 1 301.320 2.386 50 0 DEAAML Cc1cc2c([n-]c(=S)n([N-]C(=O)c3ccccn3)c2=O)s1 ZINC000017054600 182072104 /nfs/dbraw/zinc/07/21/04/182072104.db2.gz AXVPQVPMSDCPDH-UHFFFAOYSA-N -2 1 318.383 2.208 50 0 DEAAML O=C([O-])c1cccc(-n2nc3oc4cc([O-])ccc4cc-3c2=O)c1 ZINC000033261845 304255585 /nfs/dbraw/zinc/25/55/85/304255585.db2.gz MJBOKSDEJFVGEN-UHFFFAOYSA-N -2 1 322.276 2.487 50 0 DEAAML O=C([O-])c1ccc(-n2nc3oc4cc([O-])ccc4cc-3c2=O)cc1 ZINC000033261814 304231047 /nfs/dbraw/zinc/23/10/47/304231047.db2.gz QBNAZXCEIPGMHN-UHFFFAOYSA-N -2 1 322.276 2.487 50 0 DEAAML Cc1cc(=O)n(-c2c(C)cc(S(=O)(=O)[O-])cc2Cl)[n-]1 ZINC000004731370 181143548 /nfs/dbraw/zinc/14/35/48/181143548.db2.gz QENFKLWBWWDGLL-UHFFFAOYSA-N -2 1 302.739 2.008 50 0 DEAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c[nH]1 ZINC000034940566 182745337 /nfs/dbraw/zinc/74/53/37/182745337.db2.gz SKPJDGUFXPYOEX-UHFFFAOYSA-N -2 1 318.713 2.306 50 0 DEAAML COc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000016623088 401820006 /nfs/dbraw/zinc/82/00/06/401820006.db2.gz GVHATHLGLYLQCD-UHFFFAOYSA-N -2 1 313.356 2.256 50 0 DEAAML O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000024432868 182380318 /nfs/dbraw/zinc/38/03/18/182380318.db2.gz YVRGFHUIFAOLBA-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000007405412 401739645 /nfs/dbraw/zinc/73/96/45/401739645.db2.gz HWUWXMURCVFAIJ-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000012532551 401787099 /nfs/dbraw/zinc/78/70/99/401787099.db2.gz FDOTZNDMNOQXDF-UHFFFAOYSA-N -2 1 319.338 2.388 50 0 DEAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068074857 190746994 /nfs/dbraw/zinc/74/69/94/190746994.db2.gz DUVQIZHRLQUBIE-UHFFFAOYSA-N -2 1 319.338 2.216 50 0 DEAAML Cc1cc2c([n-]c(=S)n([N-]C(=O)c3ccco3)c2=O)s1 ZINC000017031555 182069152 /nfs/dbraw/zinc/06/91/52/182069152.db2.gz KHHASPGHYIKWRE-UHFFFAOYSA-N -2 1 307.356 2.406 50 0 DEAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2)ccc1F ZINC000036398780 401905274 /nfs/dbraw/zinc/90/52/74/401905274.db2.gz YTEAVWREHIDQRX-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000055311225 402079463 /nfs/dbraw/zinc/07/94/63/402079463.db2.gz PBFRNWDPWGTLGC-UHFFFAOYSA-N -2 1 317.269 2.365 50 0 DEAAML O=C([O-])c1ccccc1[C@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000072142005 683927572 /nfs/dbraw/zinc/92/75/72/683927572.db2.gz RZWLJJYRRAPKBH-NSHDSACASA-N -2 1 312.325 2.115 50 0 DEAAML O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)c2ncccc2[O-])C1 ZINC000072142004 683927508 /nfs/dbraw/zinc/92/75/08/683927508.db2.gz RZWLJJYRRAPKBH-LLVKDONJSA-N -2 1 312.325 2.115 50 0 DEAAML COc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])cc1 ZINC000035306506 182768951 /nfs/dbraw/zinc/76/89/51/182768951.db2.gz JHSCKMNGJRJPKY-UHFFFAOYSA-N -2 1 313.356 2.256 50 0 DEAAML O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000038137734 401922936 /nfs/dbraw/zinc/92/29/36/401922936.db2.gz CASGSTUQAISKTI-UHFFFAOYSA-N -2 1 301.320 2.386 50 0 DEAAML CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1 ZINC000012552474 401788288 /nfs/dbraw/zinc/78/82/88/401788288.db2.gz XYWXJKYKQQUSPV-UHFFFAOYSA-N -2 1 319.338 2.388 50 0 DEAAML Cc1nc(-c2ccc(N(C)C[C@H](C)C(=O)[O-])nc2)[n-]c(=O)c1C ZINC000263547491 402779943 /nfs/dbraw/zinc/77/99/43/402779943.db2.gz ICIFZUNNHSISIY-VIFPVBQESA-N -2 1 316.361 2.018 50 0 DEAAML C[C@H](O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000003888135 181052770 /nfs/dbraw/zinc/05/27/70/181052770.db2.gz UEQADXFKBJNFCS-JTQLQIEISA-N -2 1 321.354 2.239 50 0 DEAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)cs1 ZINC000016623838 182054147 /nfs/dbraw/zinc/05/41/47/182054147.db2.gz XRLXRRNAIIWDJM-UHFFFAOYSA-N -2 1 301.320 2.386 50 0 DEAAML COCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000042792522 183308924 /nfs/dbraw/zinc/30/89/24/183308924.db2.gz AVZKGWOELJNXGV-UHFFFAOYSA-N -2 1 321.354 2.332 50 0 DEAAML CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000002619131 401715478 /nfs/dbraw/zinc/71/54/78/401715478.db2.gz RGXSXUSBUMPDPV-UHFFFAOYSA-N -2 1 319.338 2.388 50 0 DEAAML CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000003658892 181044099 /nfs/dbraw/zinc/04/40/99/181044099.db2.gz IHYGNDCMKCSLQE-UHFFFAOYSA-N -2 1 319.338 2.388 50 0 DEAAML Cc1nc(SCc2ccccc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000020268650 182202083 /nfs/dbraw/zinc/20/20/83/182202083.db2.gz JZVGDNZDPVALJB-UHFFFAOYSA-N -2 1 304.371 2.388 50 0 DEAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000003191652 401722510 /nfs/dbraw/zinc/72/25/10/401722510.db2.gz YMKFPZZZDXNJTL-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML COc1cc(NC(=O)c2ccccc2[O-])c(C(=O)[O-])cc1OC ZINC000008855811 401757771 /nfs/dbraw/zinc/75/77/71/401757771.db2.gz DAZNIWLAAZKQLZ-UHFFFAOYSA-N -2 1 317.297 2.360 50 0 DEAAML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000003201599 401722399 /nfs/dbraw/zinc/72/23/99/401722399.db2.gz KRYRINOVIRXGEB-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1 ZINC000007405435 401739642 /nfs/dbraw/zinc/73/96/42/401739642.db2.gz YZTWVECKZGEETK-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1F ZINC000012880509 401793341 /nfs/dbraw/zinc/79/33/41/401793341.db2.gz PUFWLGQNSSBOBY-UHFFFAOYSA-N -2 1 313.281 2.464 50 0 DEAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000068074860 402183365 /nfs/dbraw/zinc/18/33/65/402183365.db2.gz LCLNBYDIEDAHGH-UHFFFAOYSA-N -2 1 319.338 2.216 50 0 DEAAML CCCCc1cc(=O)[n-]c(Nc2ccc(O)c(C(=O)[O-])c2)n1 ZINC000073647921 191335967 /nfs/dbraw/zinc/33/59/67/191335967.db2.gz MFZIPWIPETVGAM-UHFFFAOYSA-N -2 1 303.318 2.260 50 0 DEAAML COCc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000006703900 181374788 /nfs/dbraw/zinc/37/47/88/181374788.db2.gz JDTOOTJIIKFKRG-UHFFFAOYSA-N -2 1 321.354 2.332 50 0 DEAAML CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000022157035 182311268 /nfs/dbraw/zinc/31/12/68/182311268.db2.gz XANGRNZZJUIZDX-UHFFFAOYSA-N -2 1 308.359 2.087 50 0 DEAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1O ZINC000000615645 401702346 /nfs/dbraw/zinc/70/23/46/401702346.db2.gz OIKUJZLGUURHKM-UHFFFAOYSA-N -2 1 311.290 2.030 50 0 DEAAML CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000035600826 401900240 /nfs/dbraw/zinc/90/02/40/401900240.db2.gz OHYSXRZYCJTOIO-UHFFFAOYSA-N -2 1 319.338 2.388 50 0 DEAAML Nc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1C(=O)[O-] ZINC000000344342 401694841 /nfs/dbraw/zinc/69/48/41/401694841.db2.gz HZECFDLHWWIVRX-UHFFFAOYSA-N -2 1 303.158 2.279 50 0 DEAAML Cc1nnc(SC(=Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])[nH]1 ZINC000001269963 401705404 /nfs/dbraw/zinc/70/54/04/401705404.db2.gz MHPOHFGFNHUORR-UXBLZVDNSA-N -2 1 305.315 2.029 50 0 DEAAML Cc1nc(SC(=Cc2ccc(C(=O)[O-])cc2)C(=O)[O-])n[nH]1 ZINC000001269963 401705405 /nfs/dbraw/zinc/70/54/05/401705405.db2.gz MHPOHFGFNHUORR-UXBLZVDNSA-N -2 1 305.315 2.029 50 0 DEAAML O=C([O-])[C@@H](Cc1ccccc1)[N-]C(=O)C(Cl)(Cl)Cl ZINC000000161981 401688763 /nfs/dbraw/zinc/68/87/63/401688763.db2.gz XTCXBOHYWZUZJF-MRVPVSSYSA-N -2 1 310.564 2.169 50 0 DEAAML COCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000042792551 183309439 /nfs/dbraw/zinc/30/94/39/183309439.db2.gz AXUNLGSPSLGNAG-UHFFFAOYSA-N -2 1 321.354 2.332 50 0 DEAAML Cc1nc(-c2ccc(N(C)C[C@@H](C)C(=O)[O-])nc2)[n-]c(=O)c1C ZINC000263547490 402779918 /nfs/dbraw/zinc/77/99/18/402779918.db2.gz ICIFZUNNHSISIY-SECBINFHSA-N -2 1 316.361 2.018 50 0 DEAAML