smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001598800397 996134874 /nfs/dbraw/zinc/13/48/74/996134874.db2.gz OUSPSMUFIZEMTB-PRHODGIISA-N -2 3 345.754 2.023 20 10 EECDHL COC(=O)CN(CC(=O)[O-])Cc1cc2oc3ccccc3c2cc1[O-] ZINC000737616101 578266881 /nfs/dbraw/zinc/26/68/81/578266881.db2.gz SJIKLMHPRUATLB-UHFFFAOYSA-N -2 3 343.335 2.351 20 10 EECDHL O=C([N-]C1CCN(Cc2c([O-])cc(F)cc2F)CC1)C(F)(F)F ZINC001140583582 1314909898 /nfs/dbraw/zinc/90/98/98/1314909898.db2.gz MGBCTRZSIFHSJT-UHFFFAOYSA-N -2 3 338.276 2.313 20 10 EECDHL O=C(c1ccccc1)c1ccc([O-])c(CN2CCO[C@H](CF)C2)c1[O-] ZINC000840171946 1315315927 /nfs/dbraw/zinc/31/59/27/1315315927.db2.gz KBGNTBPLIYHHGY-CQSZACIVSA-N -2 3 345.370 2.499 20 10 EECDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)Cc1ccccc1 ZINC001252888976 1317713262 /nfs/dbraw/zinc/71/32/62/1317713262.db2.gz VTUFQYAFAMMYQV-UHFFFAOYSA-N -2 3 339.344 2.260 20 10 EECDHL C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC001609741967 1352073921 /nfs/dbraw/zinc/07/39/21/1352073921.db2.gz FDFLUDBSJZXCON-LBPRGKRZSA-N -2 3 329.352 2.461 20 10 EECDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000790416710 808679006 /nfs/dbraw/zinc/67/90/06/808679006.db2.gz BTMYPYLQRQQDEW-UHFFFAOYSA-N -2 3 338.341 2.369 20 10 EECDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000758773051 577630994 /nfs/dbraw/zinc/63/09/94/577630994.db2.gz GMRWMCHKRAXWKU-UHFFFAOYSA-N -2 3 333.365 2.331 20 10 EECDHL Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c([O-])c1O ZINC000803408514 1240302900 /nfs/dbraw/zinc/30/29/00/1240302900.db2.gz IZPYKPUMZSMPRF-UHFFFAOYSA-N -2 3 326.312 2.149 20 10 EECDHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000780838071 978790672 /nfs/dbraw/zinc/79/06/72/978790672.db2.gz POLBDFJCHJKWOQ-UHFFFAOYSA-N -2 3 341.316 2.039 20 10 EECDHL COC(=O)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001598800698 996136653 /nfs/dbraw/zinc/13/66/53/996136653.db2.gz PWWKAWCVBFVFDW-PRHODGIISA-N -2 3 345.754 2.023 20 10 EECDHL COCc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)c1 ZINC000757654857 577861950 /nfs/dbraw/zinc/86/19/50/577861950.db2.gz HJLHMGYMYIBAGC-UHFFFAOYSA-N -2 3 337.353 2.038 20 10 EECDHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(O)c(C(=O)[O-])c3)ccc2O1 ZINC000757655999 577861953 /nfs/dbraw/zinc/86/19/53/577861953.db2.gz MPTCUTGERCXXLR-VIFPVBQESA-N -2 3 349.364 2.215 20 10 EECDHL COC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])cc(C(=O)[O-])c1 ZINC001598947640 998085630 /nfs/dbraw/zinc/08/56/30/998085630.db2.gz HVAFGEFABZXATA-UHFFFAOYSA-N -2 3 345.307 2.143 20 10 EECDHL O=C([O-])CN(CCOC[C@@H]1CCCO1)Cc1cc(Cl)ccc1[O-] ZINC000739794394 578068151 /nfs/dbraw/zinc/06/81/51/578068151.db2.gz XLQWCHKOVWMKFV-AWEZNQCLSA-N -2 3 343.807 2.128 20 10 EECDHL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001260843354 1319989949 /nfs/dbraw/zinc/98/99/49/1319989949.db2.gz IARWDSOCWXHFLC-UHFFFAOYSA-N -2 3 325.317 2.119 20 10 EECDHL Cc1c(C)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1O ZINC001260399820 1319884298 /nfs/dbraw/zinc/88/42/98/1319884298.db2.gz GBIYODSDRNQBDL-UHFFFAOYSA-N -2 3 337.353 2.214 20 10 EECDHL Cc1ccc(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c([O-])c1O ZINC001600343756 1350025002 /nfs/dbraw/zinc/02/50/02/1350025002.db2.gz RBTZQQPPBHGUEU-UHFFFAOYSA-N -2 3 327.296 2.233 20 10 EECDHL COc1ccc(OCCS(=O)(=O)[N-]c2ccc([O-])cc2F)cc1 ZINC000758169606 577617448 /nfs/dbraw/zinc/61/74/48/577617448.db2.gz VBDNYFLNEOCZEH-UHFFFAOYSA-N -2 3 341.360 2.361 20 10 EECDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc2c(c1)CCO2 ZINC001259356582 1319536302 /nfs/dbraw/zinc/53/63/02/1319536302.db2.gz LDBJALQKXKIRTQ-UHFFFAOYSA-N -2 3 327.308 2.406 20 10 EECDHL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC000317868156 1409842082 /nfs/dbraw/zinc/84/20/82/1409842082.db2.gz DMTXACJMMPTGDP-UHFFFAOYSA-N -2 3 325.317 2.119 20 10 EECDHL COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000785489512 806501697 /nfs/dbraw/zinc/50/16/97/806501697.db2.gz ZPTTZBYCQMUWFR-UHFFFAOYSA-N -2 3 345.373 2.489 20 10 EECDHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000758168504 577617352 /nfs/dbraw/zinc/61/73/52/577617352.db2.gz AVSOLMPNMYNXSU-UHFFFAOYSA-N -3 3 331.346 2.400 20 10 EECDHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758168504 577617353 /nfs/dbraw/zinc/61/73/53/577617353.db2.gz AVSOLMPNMYNXSU-UHFFFAOYSA-N -2 3 331.346 2.400 20 10 EECDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)cs1 ZINC000758171291 577617451 /nfs/dbraw/zinc/61/74/51/577617451.db2.gz RNIVTYFNNMQXCJ-UHFFFAOYSA-N -2 3 331.346 2.180 20 10 EECDHL COC(=O)CN(C/C=C(/C)C(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000831176050 601166027 /nfs/dbraw/zinc/16/60/27/601166027.db2.gz UDSAWYABKRVLPN-YHYXMXQVSA-N -2 3 327.764 2.052 20 10 EECDHL COC[C@]1(C(=O)[O-])CCCN1Cc1c([O-])cccc1Br ZINC000706626893 977357089 /nfs/dbraw/zinc/35/70/89/977357089.db2.gz JIFLTHALTUZEHC-AWEZNQCLSA-N -2 3 344.205 2.220 20 10 EECDHL CCc1nc(CNCc2cc([N+](=O)[O-])ccc2[O-])ccc1C(=O)[O-] ZINC000756309043 577841813 /nfs/dbraw/zinc/84/18/13/577841813.db2.gz GCHSWAMHDSOFLM-UHFFFAOYSA-N -2 3 331.328 2.246 20 10 EECDHL CCc1nnc(-c2cc([O-])c3c(c2)C(=O)c2cccc([O-])c2C3=O)o1 ZINC001255067200 1318272082 /nfs/dbraw/zinc/27/20/82/1318272082.db2.gz OJJVESOWOJZNMI-UHFFFAOYSA-N -2 3 336.303 2.486 20 10 EECDHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc([O-])c(F)c3F)cc2o1 ZINC001259383622 1319548808 /nfs/dbraw/zinc/54/88/08/1319548808.db2.gz KMYYEMBZGKMCPK-UHFFFAOYSA-N -2 3 342.279 2.318 20 10 EECDHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001260190620 1319821094 /nfs/dbraw/zinc/82/10/94/1319821094.db2.gz WSHJFIHLYWHPFH-UHFFFAOYSA-N -3 3 329.280 2.169 20 10 EECDHL CC(=Cc1ccc(N(C)C)cc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602907174 1350604131 /nfs/dbraw/zinc/60/41/31/1350604131.db2.gz TXCQAPYFRVCKBL-KTKRTIGZSA-N -2 3 337.387 2.297 20 10 EECDHL CC(=Cc1ccc(N(C)C)cc1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602907174 1350604136 /nfs/dbraw/zinc/60/41/36/1350604136.db2.gz TXCQAPYFRVCKBL-KTKRTIGZSA-N -2 3 337.387 2.297 20 10 EECDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000830155194 1372315176 /nfs/dbraw/zinc/31/51/76/1372315176.db2.gz BTPWDUKTOVCIMZ-UHFFFAOYSA-N -2 3 333.381 2.496 20 10 EECDHL O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1cc([O-])cs1 ZINC000732265340 577161950 /nfs/dbraw/zinc/16/19/50/577161950.db2.gz VOVCRFOKCLWORE-UHFFFAOYSA-N -2 3 347.421 2.488 20 10 EECDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000766047423 577511810 /nfs/dbraw/zinc/51/18/10/577511810.db2.gz HYPZXNDHUYDXEY-UHFFFAOYSA-N -2 3 347.348 2.066 20 10 EECDHL CC(C)[C@@H](C)NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736351693 578198290 /nfs/dbraw/zinc/19/82/90/578198290.db2.gz GHZONMQJKYWBBL-LLVKDONJSA-N -2 3 342.823 2.093 20 10 EECDHL C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000736692922 578218441 /nfs/dbraw/zinc/21/84/41/578218441.db2.gz ZEFFRZXIMCWOLM-SECBINFHSA-N -2 3 349.364 2.014 20 10 EECDHL O=C([O-])c1sccc1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000739315821 578048127 /nfs/dbraw/zinc/04/81/27/578048127.db2.gz QWQSQWCHOGGEHD-UHFFFAOYSA-N -2 3 327.339 2.009 20 10 EECDHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)ccc1O ZINC000322760186 692275929 /nfs/dbraw/zinc/27/59/29/692275929.db2.gz ZJTUUHCXDALFSD-UHFFFAOYSA-N -2 3 337.353 2.214 20 10 EECDHL Cc1ccnc(N)c1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001600602350 1350094836 /nfs/dbraw/zinc/09/48/36/1350094836.db2.gz QAKDBGHZBSFYBJ-UHFFFAOYSA-N -2 3 335.791 2.418 20 10 EECDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(OC[C@H]3C[C@H](O)C3)c12 ZINC001218430349 1297661512 /nfs/dbraw/zinc/66/15/12/1297661512.db2.gz PVBNBCISTQCSFE-KYZUINATSA-N -2 3 344.319 2.213 20 10 EECDHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O)cc1C(=O)[O-] ZINC000314704512 774717633 /nfs/dbraw/zinc/71/76/33/774717633.db2.gz VMDOBMQNPBBNLI-UHFFFAOYSA-N -2 3 325.317 2.339 20 10 EECDHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000758171590 577617570 /nfs/dbraw/zinc/61/75/70/577617570.db2.gz WAINEGKWNQSAAQ-UHFFFAOYSA-N -2 3 343.332 2.274 20 10 EECDHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000321141037 688779561 /nfs/dbraw/zinc/77/95/61/688779561.db2.gz MPJKPPFGJSXDHO-UHFFFAOYSA-N -2 3 337.353 2.290 20 10 EECDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cccc2nsnc21 ZINC001260387846 1319879382 /nfs/dbraw/zinc/87/93/82/1319879382.db2.gz WVTWPDFOIKLAMG-UHFFFAOYSA-N -2 3 343.336 2.476 20 10 EECDHL O=C([O-])CN(Cc1cnc2n1CCC2)Cc1cc(Cl)ccc1[O-] ZINC001602057284 1350428937 /nfs/dbraw/zinc/42/89/37/1350428937.db2.gz RRPYWPSDCKTTFE-UHFFFAOYSA-N -2 3 335.791 2.275 20 10 EECDHL O=C([O-])CN(Cc1ccc(CO)o1)Cc1cc(Cl)ccc1[O-] ZINC001602058502 1350429198 /nfs/dbraw/zinc/42/91/98/1350429198.db2.gz XVTYAELKRJQCKU-UHFFFAOYSA-N -2 3 325.748 2.218 20 10 EECDHL C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001604314022 1350913832 /nfs/dbraw/zinc/91/38/32/1350913832.db2.gz FUUWXIACIXNMPG-JTQLQIEISA-N -2 3 331.324 2.052 20 10 EECDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)CC[Si](C)(C)C ZINC001195073556 1283431293 /nfs/dbraw/zinc/43/12/93/1283431293.db2.gz FJMZHUYDZSMRTA-UHFFFAOYSA-N -2 3 349.456 2.398 20 10 EECDHL CC(C)OC[C@H](C(=O)[O-])N(C)Cc1c([O-])cccc1Br ZINC001603917732 1350801685 /nfs/dbraw/zinc/80/16/85/1350801685.db2.gz MXKSHINHQGJZHH-GFCCVEGCSA-N -2 3 346.221 2.465 20 10 EECDHL COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1F ZINC000320169998 684404794 /nfs/dbraw/zinc/40/47/94/684404794.db2.gz MMDCQQFZYKAMEJ-UHFFFAOYSA-N -2 3 341.316 2.039 20 10 EECDHL O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000184619082 1192029737 /nfs/dbraw/zinc/02/97/37/1192029737.db2.gz OPEUEAYUJAMFML-UHFFFAOYSA-N -2 3 330.268 2.379 20 10 EECDHL COc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])c(F)c2)c(OC)c1 ZINC001258959124 1319392535 /nfs/dbraw/zinc/39/25/35/1319392535.db2.gz JFYGOFCKPYMUOB-UHFFFAOYSA-N -2 3 345.323 2.488 20 10 EECDHL O=S(=O)([N-]c1cc([O-])c(F)cc1F)c1cccc2nsnc21 ZINC001260387843 1319878547 /nfs/dbraw/zinc/87/85/47/1319878547.db2.gz WRPHKVBXGDZEQN-UHFFFAOYSA-N -2 3 343.336 2.476 20 10 EECDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(F)c1 ZINC000387219726 1322669705 /nfs/dbraw/zinc/66/97/05/1322669705.db2.gz MQTNKMTXYHTPCO-UHFFFAOYSA-N -2 3 325.317 2.339 20 10 EECDHL Cn1nc(C(=O)[O-])cc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC001594572276 955904090 /nfs/dbraw/zinc/90/40/90/955904090.db2.gz QQMRWKLFPMYZQH-UHFFFAOYSA-N -2 3 330.171 2.421 20 10 EECDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000766048282 577511807 /nfs/dbraw/zinc/51/18/07/577511807.db2.gz QNTDESNPHVIEJG-UHFFFAOYSA-N -2 3 333.365 2.426 20 10 EECDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191529243 1281439724 /nfs/dbraw/zinc/43/97/24/1281439724.db2.gz DMGZVMWUHBSCTG-UHFFFAOYSA-N -2 3 331.365 2.250 20 10 EECDHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cc1 ZINC001260227731 1319837753 /nfs/dbraw/zinc/83/77/53/1319837753.db2.gz WVKYXTZAQWESQV-UHFFFAOYSA-N -3 3 329.280 2.169 20 10 EECDHL CCN(Cc1n[nH]c(=O)[n-]1)Cc1cc(Br)ccc1[O-] ZINC000091588024 462889072 /nfs/dbraw/zinc/88/90/72/462889072.db2.gz BZEQNYKKHJEXAF-UHFFFAOYSA-N -2 3 327.182 2.001 20 10 EECDHL COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000775286702 577434177 /nfs/dbraw/zinc/43/41/77/577434177.db2.gz MKRBYRCUHYRMJD-UHFFFAOYSA-N -2 3 349.364 2.010 20 10 EECDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1cccnc1 ZINC001259606677 1319624037 /nfs/dbraw/zinc/62/40/37/1319624037.db2.gz IXTXKVIZPCTERF-UHFFFAOYSA-N -2 3 329.175 2.351 20 10 EECDHL Nc1ccc(N)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC001250025204 1317208468 /nfs/dbraw/zinc/20/84/68/1317208468.db2.gz DIEBHVRRKVVGSI-UHFFFAOYSA-N -2 3 331.756 2.150 20 10 EECDHL CC(C)n1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nn1 ZINC001604033102 1350834580 /nfs/dbraw/zinc/83/45/80/1350834580.db2.gz CRTLIBAIQMIBCT-UHFFFAOYSA-N -2 3 338.795 2.305 20 10 EECDHL 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CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1O ZINC001184697838 802133366 /nfs/dbraw/zinc/13/33/66/802133366.db2.gz YIZFOJLVIADISV-UHFFFAOYSA-N -2 3 349.364 2.402 20 10 EECDHL COC(=O)CN(C/C(C)=C/C(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001598862494 996686223 /nfs/dbraw/zinc/68/62/23/996686223.db2.gz UVZSLFDTJPTLCN-BJMVGYQFSA-N -2 3 327.764 2.052 20 10 EECDHL COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000775287811 577434122 /nfs/dbraw/zinc/43/41/22/577434122.db2.gz QEAOOUONYJUBDS-UHFFFAOYSA-N -2 3 342.760 2.028 20 10 EECDHL CCc1ncc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)s1 ZINC000766047050 577511750 /nfs/dbraw/zinc/51/17/50/577511750.db2.gz CUAJRSSMDOGJEN-UHFFFAOYSA-N -2 3 326.399 2.415 20 10 EECDHL O=C(c1ccccc1[O-])N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893962948 780329848 /nfs/dbraw/zinc/32/98/48/780329848.db2.gz XRYGNFQNDZZJKJ-UHFFFAOYSA-N -2 3 348.349 2.334 20 10 EECDHL COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001254425506 1318071624 /nfs/dbraw/zinc/07/16/24/1318071624.db2.gz SORITFYKUGFUCQ-UHFFFAOYSA-N -2 3 327.333 2.349 20 10 EECDHL O=C1[N-]C(=S)SC1=Cc1ccc(F)c(-c2nnn[n-]2)c1Cl ZINC001593402672 1349797834 /nfs/dbraw/zinc/79/78/34/1349797834.db2.gz LJCWQYRONRGBJS-ZZXKWVIFSA-N -2 3 341.780 2.148 20 10 EECDHL O=C([O-])[C@@]1(C(=O)NCc2c([O-])cccc2F)C[C@H]1c1ccccc1 ZINC001601701993 1350342578 /nfs/dbraw/zinc/34/25/78/1350342578.db2.gz XASXTRBQYBHFJX-UGSOOPFHSA-N -2 3 329.327 2.406 20 10 EECDHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc([O-])c(COC(C)C)c1 ZINC000290526358 464122180 /nfs/dbraw/zinc/12/21/80/464122180.db2.gz NMUYVCMRQUTGGP-UHFFFAOYSA-N -2 3 325.390 2.150 20 10 EECDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768893065 577565234 /nfs/dbraw/zinc/56/52/34/577565234.db2.gz WHIQRWJONNOIRA-UHFFFAOYSA-N -2 3 342.354 2.365 20 10 EECDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc2c(c1)OCO2 ZINC001259850090 1319707870 /nfs/dbraw/zinc/70/78/70/1319707870.db2.gz LFJVJACNGPBHDE-UHFFFAOYSA-N -2 3 329.280 2.200 20 10 EECDHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2O)oc1C(=O)[O-] ZINC001607708260 1351543724 /nfs/dbraw/zinc/54/37/24/1351543724.db2.gz LQTDCVYFHSTFRX-VIFPVBQESA-N -2 3 325.342 2.031 20 10 EECDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000766047856 577511792 /nfs/dbraw/zinc/51/17/92/577511792.db2.gz LZLOYONDCLYPOO-UHFFFAOYSA-N -2 3 326.399 2.469 20 10 EECDHL O=C([O-])[C@]1(C(=O)NCc2c([O-])cccc2F)C[C@@H]1c1ccccc1 ZINC001601701991 1350342458 /nfs/dbraw/zinc/34/24/58/1350342458.db2.gz XASXTRBQYBHFJX-FZKQIMNGSA-N -2 3 329.327 2.406 20 10 EECDHL Cc1c(NCc2cc([N+](=O)[O-])ccc2[O-])cccc1-c1nn[n-]n1 ZINC000826242115 609485927 /nfs/dbraw/zinc/48/59/27/609485927.db2.gz ALXDFYAKDLJRHX-UHFFFAOYSA-N -2 3 326.316 2.401 20 10 EECDHL COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000775286143 577434135 /nfs/dbraw/zinc/43/41/35/577434135.db2.gz DXNXTBLYRHFNSM-UHFFFAOYSA-N -2 3 342.760 2.028 20 10 EECDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000758773901 577631069 /nfs/dbraw/zinc/63/10/69/577631069.db2.gz JJFWVYLBBVHBQH-UHFFFAOYSA-N -3 3 341.366 2.155 20 10 EECDHL O=C([O-])c1cnc(C=Cc2ccc(N3CCOCC3)c(F)c2)[n-]c1=O ZINC000752877844 577777382 /nfs/dbraw/zinc/77/73/82/577777382.db2.gz AFIVOZWKTASCLE-RQOWECAXSA-N -2 3 345.330 2.027 20 10 EECDHL Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C)cc1O ZINC000391837028 1322989089 /nfs/dbraw/zinc/98/90/89/1322989089.db2.gz KISMXDAJIBBJLK-UHFFFAOYSA-N -2 3 337.353 2.214 20 10 EECDHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000758169825 577617470 /nfs/dbraw/zinc/61/74/70/577617470.db2.gz DBXKRZGOERXADS-UHFFFAOYSA-N -2 3 343.307 2.258 20 10 EECDHL Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)ccc1O ZINC001250024063 1317208580 /nfs/dbraw/zinc/20/85/80/1317208580.db2.gz OXOGBMWITXBQPD-UHFFFAOYSA-N -2 3 332.740 2.273 20 10 EECDHL Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c([O-])c1O ZINC001607734951 1351548450 /nfs/dbraw/zinc/54/84/50/1351548450.db2.gz YPDAQLLGVMWASM-QMMMGPOBSA-N -2 3 348.380 2.305 20 10 EECDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1c([O-])cccc1F ZINC001607746556 1351551300 /nfs/dbraw/zinc/55/13/00/1351551300.db2.gz XDFSXOAGFVNBJE-UHFFFAOYSA-N -2 3 339.344 2.016 20 10 EECDHL CC(C)COC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833489664 605189854 /nfs/dbraw/zinc/18/98/54/605189854.db2.gz QSGAPJWGPJTPGB-UHFFFAOYSA-N -2 3 329.780 2.131 20 10 EECDHL O=C([N-]C1CCN(Cc2ccc(F)c(F)c2[O-])CC1)C(F)(F)F ZINC001233078159 1304354060 /nfs/dbraw/zinc/35/40/60/1304354060.db2.gz IVKDMWDUGJYFOG-UHFFFAOYSA-N -2 3 338.276 2.313 20 10 EECDHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])c(F)c2)cc1 ZINC001260238669 1319844650 /nfs/dbraw/zinc/84/46/50/1319844650.db2.gz NSFJMCNZMBVWOM-UHFFFAOYSA-N -2 3 343.307 2.258 20 10 EECDHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)ccc1O ZINC000318936671 778952673 /nfs/dbraw/zinc/95/26/73/778952673.db2.gz YEHKOZRITUGTNX-UHFFFAOYSA-N -2 3 325.317 2.339 20 10 EECDHL COc1ccc(C(=O)[O-])c2c1CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001599497873 997051554 /nfs/dbraw/zinc/05/15/54/997051554.db2.gz KRVNPWVHKQVTSC-UHFFFAOYSA-N -2 3 343.335 2.003 20 10 EECDHL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)s1 ZINC000758171515 577617542 /nfs/dbraw/zinc/61/75/42/577617542.db2.gz UPYQQNPXCKBFMD-UHFFFAOYSA-N -2 3 345.377 2.055 20 10 EECDHL COC(=O)[C@@H](C)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234749219 1305018684 /nfs/dbraw/zinc/01/86/84/1305018684.db2.gz PPNHEFQKYXQSGO-SSDOTTSWSA-N -2 3 346.291 2.003 20 10 EECDHL C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604314089 1350913839 /nfs/dbraw/zinc/91/38/39/1350913839.db2.gz HFRHGXJXFOEXSD-FZMZJTMJSA-N -2 3 329.352 2.160 20 10 EECDHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c([O-])c1O ZINC001607733831 1351548465 /nfs/dbraw/zinc/54/84/65/1351548465.db2.gz YYEXDDYPWAUZSR-UHFFFAOYSA-N -2 3 332.268 2.265 20 10 EECDHL CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000790411256 808671983 /nfs/dbraw/zinc/67/19/83/808671983.db2.gz HVAMSHRCSSXGFL-UHFFFAOYSA-N -2 3 339.369 2.306 20 10 EECDHL COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1c(C)cccc1F ZINC000775286927 577434138 /nfs/dbraw/zinc/43/41/38/577434138.db2.gz QRQQZDMFLANKAS-UHFFFAOYSA-N -2 3 339.344 2.427 20 10 EECDHL COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1 ZINC000758168531 577617417 /nfs/dbraw/zinc/61/74/17/577617417.db2.gz BNZIIUCQLBNZFY-UHFFFAOYSA-N -2 3 327.333 2.349 20 10 EECDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc2nsnc2c1 ZINC001186271109 1279020577 /nfs/dbraw/zinc/02/05/77/1279020577.db2.gz LFKBAFHYIVDMKL-UHFFFAOYSA-N -2 3 343.336 2.476 20 10 EECDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC001252189828 1317564658 /nfs/dbraw/zinc/56/46/58/1317564658.db2.gz HQJFJPHQLRBANH-UHFFFAOYSA-N -2 3 339.344 2.427 20 10 EECDHL Cc1ccc(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)c([O-])c1O ZINC001600344505 1350025246 /nfs/dbraw/zinc/02/52/46/1350025246.db2.gz BCRZBIYHSZEGLG-UHFFFAOYSA-N -2 3 336.369 2.477 20 10 EECDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000758169643 577617488 /nfs/dbraw/zinc/61/74/88/577617488.db2.gz WMDZJTWTPVFXLN-UHFFFAOYSA-N -2 3 342.304 2.249 20 10 EECDHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001260216098 1319833825 /nfs/dbraw/zinc/83/38/25/1319833825.db2.gz RJGDXQYRHTXYEF-UHFFFAOYSA-N -3 3 347.270 2.309 20 10 EECDHL Nc1ccc(N)c(S(=O)(=O)[N-]c2ccc([O-])c(C(F)(F)F)c2)c1 ZINC001209988580 1325120687 /nfs/dbraw/zinc/12/06/87/1325120687.db2.gz DVPBPZWGBBSCDJ-UHFFFAOYSA-N -2 3 347.318 2.376 20 10 EECDHL Cc1nc2c(c(=O)[n-]1)CN(c1ccc(C=CC(=O)[O-])cc1[N+](=O)[O-])C2 ZINC001600717362 1350120616 /nfs/dbraw/zinc/12/06/16/1350120616.db2.gz DBHMCNXMILPOST-HWKANZROSA-N -2 3 342.311 2.017 20 10 EECDHL O=C([O-])C1(CS(=O)(=O)[N-]c2ccc([O-])c(F)c2F)CCCC1 ZINC001601715756 1350346400 /nfs/dbraw/zinc/34/64/00/1350346400.db2.gz CQGAWVNJFIOBHI-UHFFFAOYSA-N -3 3 335.328 2.057 20 10 EECDHL COc1cc(C(=O)[O-])cc(NC(=O)c2cccc(O)c2[O-])c1OC ZINC001607104132 1351419936 /nfs/dbraw/zinc/41/99/36/1351419936.db2.gz PFVGRFRRLWMWGX-UHFFFAOYSA-N -2 3 333.296 2.066 20 10 EECDHL COc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1O ZINC000797820097 1371548623 /nfs/dbraw/zinc/54/86/23/1371548623.db2.gz GGWQBNSOKUPJBU-UHFFFAOYSA-N -2 3 341.316 2.039 20 10 EECDHL O=C([O-])[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H]1c1ccccc1 ZINC001574776992 957766581 /nfs/dbraw/zinc/76/65/81/957766581.db2.gz YUAJUPCVBPBKFE-UONOGXRCSA-N -2 3 327.336 2.038 20 10 EECDHL O=C(NCc1cccc(Br)c1[O-])c1cccc(O)c1[O-] ZINC000765750245 577506543 /nfs/dbraw/zinc/50/65/43/577506543.db2.gz CYVUNGGTGLFJIA-UHFFFAOYSA-N -2 3 338.157 2.496 20 10 EECDHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1 ZINC000758168941 577617362 /nfs/dbraw/zinc/61/73/62/577617362.db2.gz HWRBGPPUXPXYJY-UHFFFAOYSA-N -3 3 329.280 2.169 20 10 EECDHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001193426963 1282505040 /nfs/dbraw/zinc/50/50/40/1282505040.db2.gz WWTILRIWUDNQTG-UHFFFAOYSA-N -2 3 339.344 2.427 20 10 EECDHL O=C([O-])CNC(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001602074887 1350431275 /nfs/dbraw/zinc/43/12/75/1350431275.db2.gz VACYIIIJIMHQLR-UHFFFAOYSA-N -2 3 336.294 2.097 20 10 EECDHL O=C([O-])COc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001602093220 1350435535 /nfs/dbraw/zinc/43/55/35/1350435535.db2.gz KXPIFERONKIPJH-UHFFFAOYSA-N -2 3 334.303 2.316 20 10 EECDHL O=C([O-])c1cc(CNCc2cccc(Br)c2[O-])on1 ZINC001602261035 1350480800 /nfs/dbraw/zinc/48/08/00/1350480800.db2.gz GQEBGBMJEAJSLN-UHFFFAOYSA-N -2 3 327.134 2.131 20 10 EECDHL Cc1cc(C)c(NC(=O)c2cccc(O)c2[O-])c(S(=O)(=O)[O-])c1 ZINC001148218915 792252779 /nfs/dbraw/zinc/25/27/79/792252779.db2.gz NYQHUGOMRIPPGJ-UHFFFAOYSA-N -2 3 337.353 2.214 20 10 EECDHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)ccc1[O-] ZINC000776748411 577467033 /nfs/dbraw/zinc/46/70/33/577467033.db2.gz GTVXCYPLZWHBKR-UHFFFAOYSA-N -2 3 336.369 2.165 20 10 EECDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1 ZINC000766047391 577511814 /nfs/dbraw/zinc/51/18/14/577511814.db2.gz HELUSRMZNSTYMP-UHFFFAOYSA-N -2 3 337.353 2.110 20 10 EECDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)c1 ZINC000766047391 577511815 /nfs/dbraw/zinc/51/18/15/577511815.db2.gz HELUSRMZNSTYMP-UHFFFAOYSA-N -3 3 337.353 2.110 20 10 EECDHL Nc1ccc(N)c(S(=O)(=O)[N-]c2cc(F)c([O-])c(Cl)c2)c1 ZINC001214494506 1296485252 /nfs/dbraw/zinc/48/52/52/1296485252.db2.gz RBOQPZLCHUWNJW-UHFFFAOYSA-N -2 3 331.756 2.150 20 10 EECDHL COC[C@@]1(C(=O)[O-])CCCN1Cc1c([O-])cccc1Br ZINC000706626895 977357613 /nfs/dbraw/zinc/35/76/13/977357613.db2.gz JIFLTHALTUZEHC-CQSZACIVSA-N -2 3 344.205 2.220 20 10 EECDHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)cc1F ZINC000773250280 577327359 /nfs/dbraw/zinc/32/73/59/577327359.db2.gz BCPLFABSWIKXFX-UHFFFAOYSA-N -2 3 343.307 2.258 20 10 EECDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000766318089 577517282 /nfs/dbraw/zinc/51/72/82/577517282.db2.gz OGIQSRVKVORRHP-UHFFFAOYSA-N -2 3 338.341 2.424 20 10 EECDHL COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)cc1C(=O)[O-] ZINC000320702249 1299958684 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EECDHL COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001254436274 1318076302 /nfs/dbraw/zinc/07/63/02/1318076302.db2.gz YFGCHZWQJUWASV-UHFFFAOYSA-N -2 3 345.323 2.488 20 10 EECDHL O=C(c1ccccc1)c1ccc([O-])c(CN2CCO[C@H]3C[C@H]32)c1[O-] ZINC000793608389 810431510 /nfs/dbraw/zinc/43/15/10/810431510.db2.gz ASBZRDJWLBPTGC-WBVHZDCISA-N -2 3 325.364 2.302 20 10 EECDHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c(C)o1 ZINC000758169357 577617400 /nfs/dbraw/zinc/61/74/00/577617400.db2.gz QATGGIYWNMCUPK-UHFFFAOYSA-N -2 3 329.305 2.020 20 10 EECDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000758775282 577631136 /nfs/dbraw/zinc/63/11/36/577631136.db2.gz UTPARWNIWDERQM-UHFFFAOYSA-N -3 3 335.337 2.094 20 10 EECDHL CCCc1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1 ZINC000829574140 601006363 /nfs/dbraw/zinc/00/63/63/601006363.db2.gz QZDGFEDJNQJPFH-UHFFFAOYSA-N -2 3 339.779 2.468 20 10 EECDHL Cc1nc(C=Cc2ccc3c(c2)CCN3C)[n-]c(=O)c1CC(=O)[O-] ZINC000794715607 1197909766 /nfs/dbraw/zinc/90/97/66/1197909766.db2.gz XSQHRNQSHMMGHQ-XQRVVYSFSA-N -2 3 325.368 2.280 20 10 EECDHL [O-]c1c(Cl)cc(Cl)cc1CNc1ncncc1-c1nnn[n-]1 ZINC001593538843 1349834485 /nfs/dbraw/zinc/83/44/85/1349834485.db2.gz KGCNGHYJDZGYOZ-UHFFFAOYSA-N -2 3 338.158 2.281 20 10 EECDHL [O-]c1c(Cl)cc(Cl)cc1CNc1ncncc1-c1nn[n-]n1 ZINC001593538843 1349834489 /nfs/dbraw/zinc/83/44/89/1349834489.db2.gz KGCNGHYJDZGYOZ-UHFFFAOYSA-N -2 3 338.158 2.281 20 10 EECDHL Cn1nc2c(c1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F)CCCC2 ZINC000872373812 1198160561 /nfs/dbraw/zinc/16/05/61/1198160561.db2.gz RQSPZFQRLBYXCD-UHFFFAOYSA-N -2 3 343.355 2.084 20 10 EECDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(OC[C@@H]3CCO3)c12 ZINC001234748128 1305018594 /nfs/dbraw/zinc/01/85/94/1305018594.db2.gz FXTVMIGZPRXJDX-VIFPVBQESA-N -2 3 330.292 2.231 20 10 EECDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cccc2c1OCCO2 ZINC000766047024 577511775 /nfs/dbraw/zinc/51/17/75/577511775.db2.gz BRLARAUWBTVHMC-UHFFFAOYSA-N -2 3 349.364 2.167 20 10 EECDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc2n[nH]cc2c1 ZINC001185997021 1278886706 /nfs/dbraw/zinc/88/67/06/1278886706.db2.gz UOEWIGFIFUSJNA-UHFFFAOYSA-N -2 3 325.296 2.348 20 10 EECDHL [O-]c1c(CN2Cc3ccc(-c4nn[n-]n4)cc3C2)ccc(F)c1F ZINC001593538756 1349834911 /nfs/dbraw/zinc/83/49/11/1349834911.db2.gz DXBDVBVSPXOPKU-UHFFFAOYSA-N -2 3 329.310 2.366 20 10 EECDHL O=C([O-])[C@]1(C(=O)NCc2c([O-])cccc2F)C[C@H]1c1ccccc1 ZINC001601701992 1350342326 /nfs/dbraw/zinc/34/23/26/1350342326.db2.gz XASXTRBQYBHFJX-SCLBCKFNSA-N -2 3 329.327 2.406 20 10 EECDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2)c([N+](=O)[O-])c1 ZINC000916106570 797502065 /nfs/dbraw/zinc/50/20/65/797502065.db2.gz ZXILLDVVZQJCKY-UHFFFAOYSA-N -2 3 339.285 2.009 20 10 EECDHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000793348731 810299940 /nfs/dbraw/zinc/29/99/40/810299940.db2.gz CRFXIOUUCQIREO-UHFFFAOYSA-N -2 3 325.317 2.339 20 10 EECDHL CN(C)c1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)cc1C(=O)[O-] ZINC001598328722 991354925 /nfs/dbraw/zinc/35/49/25/991354925.db2.gz ZOGSJUDTXBBTDC-UHFFFAOYSA-N -2 3 329.356 2.403 20 10 EECDHL COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cccc(C)c1F ZINC000775286097 577434186 /nfs/dbraw/zinc/43/41/86/577434186.db2.gz COMFPJKIYKYKGK-UHFFFAOYSA-N -2 3 339.344 2.427 20 10 EECDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([O-])cc1C ZINC000740701134 578105081 /nfs/dbraw/zinc/10/50/81/578105081.db2.gz UGDPANZGAGVVQF-UHFFFAOYSA-N -2 3 338.341 2.418 20 10 EECDHL CC(=O)[C@@H](C)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234748867 1305018336 /nfs/dbraw/zinc/01/83/36/1305018336.db2.gz MSCVBPCFMQAWQQ-MRVPVSSYSA-N -2 3 330.292 2.419 20 10 EECDHL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001254024744 1317985092 /nfs/dbraw/zinc/98/50/92/1317985092.db2.gz GEJAYRFWZWRQGA-UHFFFAOYSA-N -2 3 343.307 2.258 20 10 EECDHL COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc([O-])cc1C(C)=O ZINC000766048156 577511835 /nfs/dbraw/zinc/51/18/35/577511835.db2.gz ZHQBJEAPGBGJKU-UHFFFAOYSA-N -2 3 349.364 2.182 20 10 EECDHL COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(F)c([O-])c(F)c2)c1 ZINC001260845093 1319990779 /nfs/dbraw/zinc/99/07/79/1319990779.db2.gz TUMYZIMCPHTRKI-UHFFFAOYSA-N -2 3 343.307 2.258 20 10 EECDHL Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])ccc1O ZINC001600284196 1350011006 /nfs/dbraw/zinc/01/10/06/1350011006.db2.gz WHXKUZKVKVAQOG-UHFFFAOYSA-N -2 3 325.317 2.339 20 10 EECDHL O=C([O-])CNC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC001602074916 1350431491 /nfs/dbraw/zinc/43/14/91/1350431491.db2.gz WVXYLPUSZKRYDU-UHFFFAOYSA-N -2 3 334.759 2.472 20 10 EECDHL