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-])c1c(F)cccc1[N-]S(=O)(=O)c1ccccc1 ZINC000035306778 172120255 /nfs/dbraw/zinc/12/02/55/172120255.db2.gz PVPBGHQOJFJQNF-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML Cc1cc([N-]S(=O)(=O)c2ccccc2)ccc1C(=O)[O-] ZINC000044750154 175244879 /nfs/dbraw/zinc/24/48/79/175244879.db2.gz CWVWZFHIBUIPGC-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 CEAAML CC(C)[C@@H](NC(=O)c1cc2ccccc2cc1[O-])C(=O)[O-] ZINC000000072528 361123756 /nfs/dbraw/zinc/12/37/56/361123756.db2.gz PAQNBUMFNNCFQV-CQSZACIVSA-N -2 1 287.315 2.384 50 0 CEAAML O=C([O-])c1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000009014284 170361277 /nfs/dbraw/zinc/36/12/77/170361277.db2.gz FRBRUKMTQQUPMD-QMMMGPOBSA-N -2 1 251.263 2.119 50 0 CEAAML Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)[O-] ZINC000059880766 362653734 /nfs/dbraw/zinc/65/37/34/362653734.db2.gz JKTBTRMZDGNWEB-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 CEAAML O=C([O-])C1(NC(=O)Cc2ccc([O-])c(Cl)c2)CCCC1 ZINC000299784105 379138115 /nfs/dbraw/zinc/13/81/15/379138115.db2.gz HSPKPIIJRJYELB-UHFFFAOYSA-N -2 1 297.738 2.102 50 0 CEAAML CCc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000022158840 171363406 /nfs/dbraw/zinc/36/34/06/171363406.db2.gz QBTNFJXSRUYJHD-UHFFFAOYSA-N -2 1 294.332 2.076 50 0 CEAAML O=C([O-])[C@H]1CSC(c2nc3cc(F)c([O-])cc3s2)=N1 ZINC000079045185 304201272 /nfs/dbraw/zinc/20/12/72/304201272.db2.gz GOXDIFRHXAWDAC-ZCFIWIBFSA-N -2 1 298.320 2.088 50 0 CEAAML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000016527305 361490895 /nfs/dbraw/zinc/49/08/95/361490895.db2.gz GVAXHYLGIFDFKI-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML Cc1ccc(C)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000022159116 171363543 /nfs/dbraw/zinc/36/35/43/171363543.db2.gz WHPNWWJUPOMEEQ-UHFFFAOYSA-N -2 1 294.332 2.131 50 0 CEAAML CCOC(=O)c1c(Nc2ccccc2)[n-]nc1C(=O)[O-] ZINC000006693793 170227109 /nfs/dbraw/zinc/22/71/09/170227109.db2.gz WDNFZDBQMHJNDC-UHFFFAOYSA-N -2 1 275.264 2.028 50 0 CEAAML Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000000360775 361164924 /nfs/dbraw/zinc/16/49/24/361164924.db2.gz ZKULNPUGFSHGPW-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 CEAAML C[C@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(=O)[O-] ZINC000008671129 170344640 /nfs/dbraw/zinc/34/46/40/170344640.db2.gz MOIRVCXXIYVOEV-QMMMGPOBSA-N -2 1 276.317 2.414 50 0 CEAAML O=C([O-])CSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000008763122 170354761 /nfs/dbraw/zinc/35/47/61/170354761.db2.gz NVFIGQYDZXKAEK-UHFFFAOYSA-N -2 1 262.290 2.026 50 0 CEAAML O=C([O-])COc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000016400300 361486984 /nfs/dbraw/zinc/48/69/84/361486984.db2.gz GZCBPDCRKATUQO-UITAMQMPSA-N -2 1 295.341 2.479 50 0 CEAAML Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1 ZINC000013340254 361426108 /nfs/dbraw/zinc/42/61/08/361426108.db2.gz ZQSGJNZTMWATMJ-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 CEAAML O=C1[N-]C(=S)NC1=Cc1cc(Cl)c([O-])c(Cl)c1 ZINC000100460159 304658365 /nfs/dbraw/zinc/65/83/65/304658365.db2.gz IVQDTWQOQSWFQK-XVNBXDOJSA-N -2 1 289.143 2.044 50 0 CEAAML O=C([O-])c1cccc(Nc2snnc2[S-])c1 ZINC000063772505 362774752 /nfs/dbraw/zinc/77/47/52/362774752.db2.gz QCSYOUZRIPAPOE-UHFFFAOYSA-N -2 1 253.308 2.269 50 0 CEAAML O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000019518446 361541176 /nfs/dbraw/zinc/54/11/76/361541176.db2.gz YHVORCIBKFUBOB-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C)c1 ZINC000022160590 171363783 /nfs/dbraw/zinc/36/37/83/171363783.db2.gz NTLQGZZDYNCINW-UHFFFAOYSA-N -2 1 294.332 2.131 50 0 CEAAML CCc1c(C)[n-]n(-c2cc(C(=O)[O-])ccc2C)c1=O ZINC000100002846 364538085 /nfs/dbraw/zinc/53/80/85/364538085.db2.gz NRUQBVIWOQJLNB-UHFFFAOYSA-N -2 1 260.293 2.455 50 0 CEAAML CCc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000022159516 171363645 /nfs/dbraw/zinc/36/36/45/171363645.db2.gz UIOUEHWZVIEQIG-UHFFFAOYSA-N -2 1 294.332 2.076 50 0 CEAAML Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000055311101 362548781 /nfs/dbraw/zinc/54/87/81/362548781.db2.gz RUGCTQJJRMZHKX-UHFFFAOYSA-N -2 1 299.279 2.226 50 0 CEAAML O=C([O-])Cc1sc(Cc2ccc(Cl)cc2)nc1[O-] ZINC000000144993 361134765 /nfs/dbraw/zinc/13/47/65/361134765.db2.gz BPYLGEIVYAUINT-VIFPVBQESA-N -2 1 283.736 2.398 50 0 CEAAML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1 ZINC000000581099 361187631 /nfs/dbraw/zinc/18/76/31/361187631.db2.gz OXNAPOSJPGMQMO-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 CEAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000000227714 361149424 /nfs/dbraw/zinc/14/94/24/361149424.db2.gz OJVDUXURNHYJCV-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000019508366 361539898 /nfs/dbraw/zinc/53/98/98/361539898.db2.gz OYXLCGYTAOPEJQ-ZDUSSCGKSA-N -2 1 285.299 2.235 50 0 CEAAML CCCCCSc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000008762672 170354545 /nfs/dbraw/zinc/35/45/45/170354545.db2.gz VJXGENSXDGAAOA-UHFFFAOYSA-N -2 1 270.354 2.400 50 0 CEAAML C[C@H](C(=O)c1cc(Cl)c(Cl)cc1[O-])S(=O)(=O)[O-] ZINC000095918138 298227982 /nfs/dbraw/zinc/22/79/82/298227982.db2.gz GFXXNIWLJKZUKS-SCSAIBSYSA-N -2 1 299.131 2.158 50 0 CEAAML O=C([O-])c1nn(-c2cc([O-])c(F)c(F)c2)c2c1CCC2 ZINC000067740854 362921257 /nfs/dbraw/zinc/92/12/57/362921257.db2.gz VNLXMPRLEJSAPX-UHFFFAOYSA-N -2 1 280.230 2.043 50 0 CEAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000000293508 361158011 /nfs/dbraw/zinc/15/80/11/361158011.db2.gz RELBUFSHELNQKC-UHFFFAOYSA-N -2 1 277.301 2.186 50 0 CEAAML CCCCn1c2ccccc2c([O-])c(C(=O)[O-])c1=O ZINC000019229414 361523070 /nfs/dbraw/zinc/52/30/70/361523070.db2.gz HFTPUZBVXIXSIM-UHFFFAOYSA-N -2 1 261.277 2.205 50 0 CEAAML O=C([O-])[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000019508368 361540473 /nfs/dbraw/zinc/54/04/73/361540473.db2.gz OYXLCGYTAOPEJQ-CYBMUJFWSA-N -2 1 285.299 2.235 50 0 CEAAML CC(C)c1cc(=O)[n-]c(Nc2ccc(O)c(C(=O)[O-])c2)n1 ZINC000073647918 363238022 /nfs/dbraw/zinc/23/80/22/363238022.db2.gz IYWYMGJMKWGTHO-UHFFFAOYSA-N -2 1 289.291 2.041 50 0 CEAAML Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000003208029 361268165 /nfs/dbraw/zinc/26/81/65/361268165.db2.gz SBCGIAAHIVKYKK-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 CEAAML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000012552476 361390789 /nfs/dbraw/zinc/39/07/89/361390789.db2.gz HHOXTPDUGIWTNM-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1F ZINC000012881602 361405348 /nfs/dbraw/zinc/40/53/48/361405348.db2.gz VGSYJVKBWQBZOX-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1F ZINC000007052512 170264235 /nfs/dbraw/zinc/26/42/35/170264235.db2.gz SJYLZKXXASMEJR-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000000347273 361163935 /nfs/dbraw/zinc/16/39/35/361163935.db2.gz YAGOYAVZOJQMRT-UHFFFAOYSA-N -2 1 277.301 2.186 50 0 CEAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000000243058 361150920 /nfs/dbraw/zinc/15/09/20/361150920.db2.gz MEFRXIIWAJLYTB-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000003855739 361292076 /nfs/dbraw/zinc/29/20/76/361292076.db2.gz SQVQQBOZCMYFFQ-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML O=Cc1cc(Br)c([O-])c(Br)c1[O-] ZINC000000151794 361136258 /nfs/dbraw/zinc/13/62/58/361136258.db2.gz JEFPULPKKGELPK-UHFFFAOYSA-N -2 1 295.914 2.435 50 0 CEAAML O=C([O-])CCSc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000016975843 361501296 /nfs/dbraw/zinc/50/12/96/361501296.db2.gz GEGGVBMHGZHCAE-UHFFFAOYSA-N -2 1 276.317 2.416 50 0 CEAAML Cc1csc(C(=O)[O-])c1-n1cc(C)c(=O)[n-]c1=S ZINC000075279146 343845102 /nfs/dbraw/zinc/84/51/02/343845102.db2.gz SIKHRCNARAXHMW-UHFFFAOYSA-N -2 1 282.346 2.272 50 0 CEAAML O=C(C=C1SC(=O)[N-]C1=O)Nc1ccccc1C(=O)[O-] ZINC000008995383 170360818 /nfs/dbraw/zinc/36/08/18/170360818.db2.gz BVKXMSGXYNTZQD-VMPITWQZSA-N -2 1 292.272 2.031 50 0 CEAAML O=C([O-])Cc1sc(SCc2ccccc2)nc1[O-] ZINC000034927050 361797519 /nfs/dbraw/zinc/79/75/19/361797519.db2.gz ZYPCJXUFAPZWOQ-VIFPVBQESA-N -2 1 281.358 2.393 50 0 CEAAML CCCc1cc(=O)[n-]c(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000005625382 170121629 /nfs/dbraw/zinc/12/16/29/170121629.db2.gz QRFBBPBUYCHCIK-UHFFFAOYSA-N -2 1 273.292 2.164 50 0 CEAAML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002005601 361225224 /nfs/dbraw/zinc/22/52/24/361225224.db2.gz YPVRMONLTQLVQE-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML O=C(NC(=C(Cl)Cl)P(=O)([O-])[O-])c1ccccc1 ZINC000002056662 361228131 /nfs/dbraw/zinc/22/81/31/361228131.db2.gz SIXJDNRSTUBUBM-UHFFFAOYSA-N -2 1 296.046 2.198 50 0 CEAAML Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1 ZINC000013464658 361427915 /nfs/dbraw/zinc/42/79/15/361427915.db2.gz MIZAODWIWMPESH-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 CEAAML O=C([O-])COc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000016399522 361487477 /nfs/dbraw/zinc/48/74/77/361487477.db2.gz MARSCECOJUOAER-UITAMQMPSA-N -2 1 295.341 2.479 50 0 CEAAML O=C([O-])c1cnc(SCc2ccccc2)[n-]c1=O ZINC000005165037 230369433 /nfs/dbraw/zinc/36/94/33/230369433.db2.gz FZQGMHMSZJMNOX-UHFFFAOYSA-N -2 1 262.290 2.173 50 0 CEAAML O=C([O-])CCCN1C(=O)c2cccc3c([O-])ccc(c32)C1=O ZINC000019879429 170907457 /nfs/dbraw/zinc/90/74/57/170907457.db2.gz XDTBRVKQTALHQJ-UHFFFAOYSA-N -2 1 299.282 2.006 50 0 CEAAML Cc1cc(C)cc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000022160354 171363846 /nfs/dbraw/zinc/36/38/46/171363846.db2.gz MKTAUUXBIAADHX-UHFFFAOYSA-N -2 1 294.332 2.131 50 0 CEAAML Cc1cc(=O)n(-c2ccc(Cl)c(C(=O)[O-])c2)[n-]1 ZINC000000290382 394448989 /nfs/dbraw/zinc/44/89/89/394448989.db2.gz GBEPLFGTVCECGW-UHFFFAOYSA-N -2 1 252.657 2.151 50 0 CEAAML Cc1cc(=O)[n-]c(S[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000008700765 170346874 /nfs/dbraw/zinc/34/68/74/170346874.db2.gz PUCLDVOIXVHDFG-NSHDSACASA-N -2 1 276.317 2.409 50 0 CEAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000007053723 170264284 /nfs/dbraw/zinc/26/42/84/170264284.db2.gz NVLPATGVMWNAHA-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000000340332 361162425 /nfs/dbraw/zinc/16/24/25/361162425.db2.gz KIAHUXDVSURYKM-UHFFFAOYSA-N -2 1 277.301 2.186 50 0 CEAAML O=Nc1c([O-])ccc2cc(S(=O)(=O)[O-])ccc21 ZINC000004091117 361299974 /nfs/dbraw/zinc/29/99/74/361299974.db2.gz ZDPZWHLPCUZHPA-UHFFFAOYSA-N -2 1 253.235 2.190 50 0 CEAAML Cc1cc(=O)[n-]c(S[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000008700766 170346844 /nfs/dbraw/zinc/34/68/44/170346844.db2.gz PUCLDVOIXVHDFG-LLVKDONJSA-N -2 1 276.317 2.409 50 0 CEAAML Cc1cccc(C)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000020213497 171075268 /nfs/dbraw/zinc/07/52/68/171075268.db2.gz GESWHCMUTGKRMP-UHFFFAOYSA-N -2 1 294.332 2.131 50 0 CEAAML O=C([O-])COc1ccccc1C=C1SC(=S)[N-]C1=O ZINC000016713096 361496363 /nfs/dbraw/zinc/49/63/63/361496363.db2.gz NVLJUKAUSGTIHG-UITAMQMPSA-N -2 1 295.341 2.479 50 0 CEAAML Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1 ZINC000007057328 170264900 /nfs/dbraw/zinc/26/49/00/170264900.db2.gz WYTGFCVQKKIPEP-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 CEAAML O=C([O-])Cc1sc(SCc2ccccc2)nc1[O-] ZINC000034927051 361797492 /nfs/dbraw/zinc/79/74/92/361797492.db2.gz ZYPCJXUFAPZWOQ-SECBINFHSA-N -2 1 281.358 2.393 50 0 CEAAML Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000004660908 361325911 /nfs/dbraw/zinc/32/59/11/361325911.db2.gz IDDXXFQDCNPKFG-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 CEAAML Cc1ccc([N-]S(=O)(=O)c2ccccc2)c(C(=O)[O-])c1 ZINC000014964411 361462907 /nfs/dbraw/zinc/46/29/07/361462907.db2.gz HXQLTRSIZRSFTR-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 in-vivo CEAAML C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[n-]1)C(=O)[O-] ZINC000008671130 170344839 /nfs/dbraw/zinc/34/48/39/170344839.db2.gz MOIRVCXXIYVOEV-MRVPVSSYSA-N -2 1 276.317 2.414 50 0 CEAAML O=C([O-])c1ccc(Nc2nc3c(c(=O)[n-]2)CCCC3)cc1 ZINC000011731188 304248714 /nfs/dbraw/zinc/24/87/14/304248714.db2.gz XWYMBWSTTSGGCA-UHFFFAOYSA-N -2 1 285.303 2.091 50 0 CEAAML CC(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(Cl)cc1[O-] ZINC000136218787 366503576 /nfs/dbraw/zinc/50/35/76/366503576.db2.gz JLUBOLPQDDASML-JTQLQIEISA-N -2 1 285.727 2.275 50 0 CEAAML CCCCSc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000008666381 170344875 /nfs/dbraw/zinc/34/48/75/170344875.db2.gz ZELCMFBXJZKANU-UHFFFAOYSA-N -2 1 256.327 2.010 50 0 CEAAML CC(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(Cl)cc1[O-] ZINC000136218747 187870955 /nfs/dbraw/zinc/87/09/55/187870955.db2.gz JLUBOLPQDDASML-SNVBAGLBSA-N -2 1 285.727 2.275 50 0 CEAAML CC(C)[C@H](NC(=O)c1cc2ccccc2cc1[O-])C(=O)[O-] ZINC000000072525 169526220 /nfs/dbraw/zinc/52/62/20/169526220.db2.gz PAQNBUMFNNCFQV-AWEZNQCLSA-N -2 1 287.315 2.384 50 0 CEAAML O=C([O-])Cc1sc(Cc2ccc(Cl)cc2)nc1[O-] ZINC000000144988 361134901 /nfs/dbraw/zinc/13/49/01/361134901.db2.gz BPYLGEIVYAUINT-SECBINFHSA-N -2 1 283.736 2.398 50 0 CEAAML CCc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000022156935 171362907 /nfs/dbraw/zinc/36/29/07/171362907.db2.gz SDYIUNPNNPCAFM-UHFFFAOYSA-N -2 1 294.332 2.076 50 0 CEAAML Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1 ZINC000013059509 361418570 /nfs/dbraw/zinc/41/85/70/361418570.db2.gz NVDUMVGFCWZZSM-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 CEAAML Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1 ZINC000000190722 361142505 /nfs/dbraw/zinc/14/25/05/361142505.db2.gz ADALGBTXGIISDM-UHFFFAOYSA-N -2 1 291.328 2.494 50 0 CEAAML O=C([O-])c1ccc(C(=O)c2ccc([O-])cc2)cc1C(=O)[O-] ZINC000000284514 361156775 /nfs/dbraw/zinc/15/67/75/361156775.db2.gz QBNQZYSYEDBAIE-UHFFFAOYSA-N -3 1 286.239 2.020 50 0 CEAAML O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000005516109 170107020 /nfs/dbraw/zinc/10/70/20/170107020.db2.gz DQRNDEPUAOBYQO-UHFFFAOYSA-N -2 1 295.291 2.325 50 0 CEAAML Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C ZINC000022157971 171362940 /nfs/dbraw/zinc/36/29/40/171362940.db2.gz YPHJCUVFUGNCQD-UHFFFAOYSA-N -2 1 294.332 2.131 50 0 CEAAML C[C@@H](C(=O)c1cc(Cl)c(Cl)cc1[O-])S(=O)(=O)[O-] ZINC000095918137 295807531 /nfs/dbraw/zinc/80/75/31/295807531.db2.gz GFXXNIWLJKZUKS-BYPYZUCNSA-N -2 1 299.131 2.158 50 0 CEAAML O=C([O-])Cc1sc(-c2cccc(Cl)c2)nc1[O-] ZINC000000151293 361135853 /nfs/dbraw/zinc/13/58/53/361135853.db2.gz FHLYYJKNYWPGNE-MRVPVSSYSA-N -2 1 269.709 2.203 50 0 CEAAML Cc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1C ZINC000022159632 171363716 /nfs/dbraw/zinc/36/37/16/171363716.db2.gz HYVKFMOFCXJVPK-UHFFFAOYSA-N -2 1 294.332 2.131 50 0 CEAAML O=C([O-])c1ccccc1OCC(=O)c1ccc([O-])cc1O ZINC000004046682 361298787 /nfs/dbraw/zinc/29/87/87/361298787.db2.gz LUEPOVJGDQMOLY-UHFFFAOYSA-N -2 1 288.255 2.058 50 0 CEAAML O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000000225712 361148760 /nfs/dbraw/zinc/14/87/60/361148760.db2.gz YNRKZIPFWSDERE-UHFFFAOYSA-N -2 1 277.301 2.186 50 0 CEAAML O=C([O-])Cc1sc(-c2cccc(Cl)c2)nc1[O-] ZINC000000151294 361136156 /nfs/dbraw/zinc/13/61/56/361136156.db2.gz FHLYYJKNYWPGNE-QMMMGPOBSA-N -2 1 269.709 2.203 50 0 CEAAML CCCCc1c(C)nc(SCC(=O)[O-])[n-]c1=O ZINC000009546413 170381341 /nfs/dbraw/zinc/38/13/41/170381341.db2.gz PIZKHSFARBCJFU-UHFFFAOYSA-N -2 1 256.327 2.010 50 0 CEAAML