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([O-])c(C(=O)/C=C/c2ccccc2F)c1 ZINC000757473801 626781677 /nfs/dbraw/zinc/78/16/77/626781677.db2.gz PQNZTSVZQLVELQ-FNORWQNLSA-N -2 0 286.258 3.126 20 30 CGEDRL Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2)c([O-])c1 ZINC000774136708 627949639 /nfs/dbraw/zinc/94/96/39/627949639.db2.gz RWIKAIPBZFKMSU-VURMDHGXSA-N -2 0 282.295 3.295 20 30 CGEDRL CC[C@@H]1OC(C)=C(Oc2c(O)cc(Cl)cc2F)C1=O ZINC001234444374 818856373 /nfs/dbraw/zinc/85/63/73/818856373.db2.gz PDWNGCPISHHJIV-JTQLQIEISA-N -2 0 286.686 3.173 20 30 CGEDRL Cc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])s1 ZINC000757472393 626781382 /nfs/dbraw/zinc/78/13/82/626781382.db2.gz HBNKPFXZYVFUPQ-ALCCZGGFSA-N -2 0 288.324 3.356 20 30 CGEDRL N#Cc1ccc(O)c(Nc2ccc(C(=O)[O-])cc2Cl)c1 ZINC001248557364 804951142 /nfs/dbraw/zinc/95/11/42/804951142.db2.gz NQQZBSVKWLVXBA-UHFFFAOYSA-N -2 0 288.690 3.359 20 30 CGEDRL N#Cc1c([O-])csc1Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001203321473 812311276 /nfs/dbraw/zinc/31/12/76/812311276.db2.gz DTDHDIBBWWGZSQ-UHFFFAOYSA-N -2 0 296.254 3.045 20 30 CGEDRL Cc1c(Nc2scc([O-])c2C#N)cccc1C(=O)[O-] ZINC001216657645 815886733 /nfs/dbraw/zinc/88/67/33/815886733.db2.gz GWTOUWAUUKLYHU-UHFFFAOYSA-N -2 0 274.301 3.076 20 30 CGEDRL O=C([O-])c1ccccc1NN=Cc1cccc(O)c1Cl ZINC000814768731 631635737 /nfs/dbraw/zinc/63/57/37/631635737.db2.gz KKVDTTIZIANDTQ-UHFFFAOYSA-N -2 0 290.706 3.190 20 30 CGEDRL Cc1ccc(C(=O)[O-])cc1Nc1scc([O-])c1C#N ZINC001174983270 809226922 /nfs/dbraw/zinc/22/69/22/809226922.db2.gz JPKPJAYLYQKIPA-UHFFFAOYSA-N -2 0 274.301 3.076 20 30 CGEDRL CCC1=C(Oc2cc(Cl)ccc2O)C(=O)[C@@H](C)O1 ZINC001229546278 932169943 /nfs/dbraw/zinc/16/99/43/932169943.db2.gz DYUQYWSBNCHNAC-SSDOTTSWSA-N -2 0 268.696 3.034 20 30 CGEDRL O=C([O-])c1cccc(/C=C\C(=O)c2ccc(F)cc2[O-])c1 ZINC000774134702 627949517 /nfs/dbraw/zinc/94/95/17/627949517.db2.gz FMMAZCYGWZLUGE-DAXSKMNVSA-N -2 0 286.258 3.126 20 30 CGEDRL N#Cc1ccc(-c2cc([S-])cc([S-])c2)c(N)c1 ZINC001244091311 960418438 /nfs/dbraw/zinc/41/84/38/960418438.db2.gz OSKKNDHGRDBJDU-UHFFFAOYSA-N -2 0 258.371 3.385 20 30 CGEDRL O=C([O-])c1cccc(NN=Cc2cccc(Cl)c2[O-])c1 ZINC000753161699 626446900 /nfs/dbraw/zinc/44/69/00/626446900.db2.gz KBJZIPLYUDXPNN-UHFFFAOYSA-N -2 0 290.706 3.190 20 30 CGEDRL O=C([O-])c1csc(/C=C/C(=O)c2ccc(F)cc2[O-])c1 ZINC000782207816 628624801 /nfs/dbraw/zinc/62/48/01/628624801.db2.gz RVJFUKSFQBKNSY-DUXPYHPUSA-N -2 0 292.287 3.187 20 30 CGEDRL Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])s1 ZINC000806558512 630566296 /nfs/dbraw/zinc/56/62/96/630566296.db2.gz FEIPAXZCDDCTLJ-ALCCZGGFSA-N -2 0 288.324 3.356 20 30 CGEDRL Cc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1 ZINC000806558348 630566333 /nfs/dbraw/zinc/56/63/33/630566333.db2.gz AIRXBHCGOGTRLE-RMKNXTFCSA-N -2 0 282.295 3.295 20 30 CGEDRL Cc1cc(Nc2cc(C#N)c(F)cc2[O-])ccc1C(=O)[O-] ZINC001211660758 814928444 /nfs/dbraw/zinc/92/84/44/814928444.db2.gz JRLGFBCFPZGJKS-UHFFFAOYSA-N -2 0 286.262 3.153 20 30 CGEDRL C=C[C@H]1C[C@]1(Nc1cc([S-])cc([S-])c1)C(=O)OCC ZINC001170922280 807935484 /nfs/dbraw/zinc/93/54/84/807935484.db2.gz JESQVCXRJWLDSK-LKFCYVNXSA-N -2 0 295.429 3.184 20 30 CGEDRL O=C([O-])c1cc(F)c(-c2ccc(/C=N/[O-])c(F)c2)c(F)c1 ZINC001222412265 816438671 /nfs/dbraw/zinc/43/86/71/816438671.db2.gz HUVIUNFPAIZMOV-NGYBGAFCSA-N -2 0 295.216 3.277 20 30 CGEDRL CCC1=C(Oc2cc(Cl)ccc2O)C(=O)[C@H](C)O1 ZINC001229546281 932170161 /nfs/dbraw/zinc/17/01/61/932170161.db2.gz DYUQYWSBNCHNAC-ZETCQYMHSA-N -2 0 268.696 3.034 20 30 CGEDRL Cc1ccccc1/C=C\C(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000757475153 626782431 /nfs/dbraw/zinc/78/24/31/626782431.db2.gz YLDHNGASXJUMOQ-VURMDHGXSA-N -2 0 282.295 3.295 20 30 CGEDRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(C)c1C#N ZINC001242161449 822899768 /nfs/dbraw/zinc/89/97/68/822899768.db2.gz WJNLEPQQCUYFFB-UHFFFAOYSA-N -2 0 295.294 3.239 20 30 CGEDRL Cc1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)c([O-])c1 ZINC000757475471 626782204 /nfs/dbraw/zinc/78/22/04/626782204.db2.gz KOADMOAJSPTNDK-UTCJRWHESA-N -2 0 299.282 3.211 20 30 CGEDRL [O-]/N=C/c1ccc(F)c(-c2cc([O-])c(F)c(F)c2F)c1 ZINC001245638948 803876922 /nfs/dbraw/zinc/87/69/22/803876922.db2.gz LNEDVMSYCATYLO-BLLMUTORSA-N -2 0 285.196 3.424 20 30 CGEDRL O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1cc(F)ccc1[O-] ZINC000156674881 622833511 /nfs/dbraw/zinc/83/35/11/622833511.db2.gz LFQDMNQKCZMRML-HNQUOIGGSA-N -2 0 294.228 3.411 20 30 CGEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2cccs2)c1 ZINC000757473770 626781570 /nfs/dbraw/zinc/78/15/70/626781570.db2.gz OXZZULZYSKHZLF-GQCTYLIASA-N -2 0 274.297 3.048 20 30 CGEDRL Cc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1 ZINC000806558349 630566061 /nfs/dbraw/zinc/56/60/61/630566061.db2.gz AIRXBHCGOGTRLE-TWGQIWQCSA-N -2 0 282.295 3.295 20 30 CGEDRL O=C(C=CNc1cc([S-])cc([S-])c1)C(F)(F)F ZINC001169480236 807649826 /nfs/dbraw/zinc/64/98/26/807649826.db2.gz BYZAJVGHBKGKSF-OWOJBTEDSA-N -2 0 279.308 3.321 20 30 CGEDRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc(CS)c2)c1 ZINC001242162271 822900369 /nfs/dbraw/zinc/90/03/69/822900369.db2.gz DLAGXJCTBHEGII-UHFFFAOYSA-N -2 0 288.324 3.180 20 30 CGEDRL CC(CC(C)(C)CC(=O)[O-])N=Nc1cccc(C(=O)[O-])c1 ZINC001592445061 978108143 /nfs/dbraw/zinc/10/81/43/978108143.db2.gz VYTVXTPLZITGGJ-UHFFFAOYSA-N -2 0 292.335 3.064 20 30 CGEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2cccc(F)c2)c1 ZINC000757472554 626781353 /nfs/dbraw/zinc/78/13/53/626781353.db2.gz KHJVVMRMSXPLCG-GQCTYLIASA-N -2 0 286.258 3.126 20 30 CGEDRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(F)c1C#N ZINC001242162072 822900122 /nfs/dbraw/zinc/90/01/22/822900122.db2.gz CCKMGTCYBZMVGY-UHFFFAOYSA-N -2 0 299.257 3.069 20 30 CGEDRL Cc1ccc([O-])c(C(=O)/C=C/c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000757468045 626780824 /nfs/dbraw/zinc/78/08/24/626780824.db2.gz NHVGDLDFYPWBFF-ZZXKWVIFSA-N -2 0 299.282 3.211 20 30 CGEDRL CC[C@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC001595131629 979555991 /nfs/dbraw/zinc/55/59/91/979555991.db2.gz YXYBHHMNICYFOO-LHGJSEJASA-N -2 0 290.146 3.229 20 30 CGEDRL O=C(C=Cc1cc(F)c([O-])c(F)c1)c1sccc1[O-] ZINC000588561757 799711337 /nfs/dbraw/zinc/71/13/37/799711337.db2.gz WCVYRWBOADDYAF-UPHRSURJSA-N -2 0 282.267 3.334 20 30 CGEDRL O=C([O-])c1c(F)cc(-c2ccc(/C=N/[O-])c(F)c2)cc1F ZINC001239362594 820288649 /nfs/dbraw/zinc/28/86/49/820288649.db2.gz LCXAECWQRVKNSX-NGYBGAFCSA-N -2 0 295.216 3.277 20 30 CGEDRL C[C@@H](C#N)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242161948 822900363 /nfs/dbraw/zinc/90/03/63/822900363.db2.gz ABVNNZOIRPMCPA-JTQLQIEISA-N -2 0 295.294 3.377 20 30 CGEDRL Cc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])s1 ZINC000757472400 626781790 /nfs/dbraw/zinc/78/17/90/626781790.db2.gz HBNKPFXZYVFUPQ-FNORWQNLSA-N -2 0 288.324 3.356 20 30 CGEDRL Cc1cccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000757475181 626782251 /nfs/dbraw/zinc/78/22/51/626782251.db2.gz ZSIPIXMOVSVIIQ-FNORWQNLSA-N -2 0 282.295 3.295 20 30 CGEDRL N#Cc1c([O-])csc1Nc1ccc(C(=O)[O-])cc1Cl ZINC001248548323 804948191 /nfs/dbraw/zinc/94/81/91/804948191.db2.gz AZFYGJQRWMEQRD-UHFFFAOYSA-N -2 0 294.719 3.421 20 30 CGEDRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1C#N ZINC001176245434 809654479 /nfs/dbraw/zinc/65/44/79/809654479.db2.gz ZBZYQYSYCKIDCX-UHFFFAOYSA-N -2 0 296.282 3.007 20 30 CGEDRL O=C([O-])c1sccc1-c1cc(/C=N/O)ccc1F ZINC001205605490 813021466 /nfs/dbraw/zinc/02/14/66/813021466.db2.gz KMIZRWXYTCAICL-MKMNVTDBSA-N -2 0 265.265 3.061 20 30 CGEDRL Cc1ccc(Nc2cc(C#N)c(F)cc2[O-])cc1C(=O)[O-] ZINC001211605903 814916624 /nfs/dbraw/zinc/91/66/24/814916624.db2.gz CCBYZMPEYAVOAZ-UHFFFAOYSA-N -2 0 286.262 3.153 20 30 CGEDRL Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)c1C#N ZINC001242163310 822900298 /nfs/dbraw/zinc/90/02/98/822900298.db2.gz SPIGVSOUFZICNE-UHFFFAOYSA-N -2 0 295.294 3.239 20 30 CGEDRL O=C([O-])c1ccc(/C=C/C(=O)c2cc(F)ccc2[O-])cc1 ZINC000757467932 601825717 /nfs/dbraw/zinc/82/57/17/601825717.db2.gz OVZOEXBQPWWFMS-XVNBXDOJSA-N -2 0 286.258 3.126 20 30 CGEDRL O=C([O-])c1ccc(C=CC(=O)c2sccc2[O-])cc1 ZINC000184517046 625243468 /nfs/dbraw/zinc/24/34/68/625243468.db2.gz RLIZIROJBIYJEC-ZZXKWVIFSA-N -2 0 274.297 3.048 20 30 CGEDRL O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2F)c([O-])c1 ZINC000806559026 630566638 /nfs/dbraw/zinc/56/66/38/630566638.db2.gz SBQILFDOIHHBBA-SOFGYWHQSA-N -2 0 286.258 3.126 20 30 CGEDRL Cc1cc(F)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C#N ZINC001242162555 822900570 /nfs/dbraw/zinc/90/05/70/822900570.db2.gz XKIBINAEODTEKL-UHFFFAOYSA-N -2 0 299.257 3.069 20 30 CGEDRL O=C([O-])c1csc(/C=C/C(=O)c2ccccc2[O-])c1 ZINC000782207831 628624682 /nfs/dbraw/zinc/62/46/82/628624682.db2.gz SICFGSNASITUBR-AATRIKPKSA-N -2 0 274.297 3.048 20 30 CGEDRL O=C([O-])c1ccc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000198708319 599890993 /nfs/dbraw/zinc/89/09/93/599890993.db2.gz KXNXFGGNSPCWCR-CLTKARDFSA-N -2 0 286.258 3.126 20 30 CGEDRL C=C[C@@H]1C[C@]1(Nc1cc([S-])cc([S-])c1)C(=O)OCC ZINC001170922284 807936355 /nfs/dbraw/zinc/93/63/55/807936355.db2.gz JESQVCXRJWLDSK-YMTOWFKASA-N -2 0 295.429 3.184 20 30 CGEDRL Cc1ccc(C#N)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241862 809654627 /nfs/dbraw/zinc/65/46/27/809654627.db2.gz BNBBGNASUSTKSZ-UHFFFAOYSA-N -2 0 296.282 3.007 20 30 CGEDRL Cc1ccc(C(=O)/C=C/c2cc([O-])ccc2[N+](=O)[O-])c([O-])c1 ZINC000772801607 627824866 /nfs/dbraw/zinc/82/48/66/627824866.db2.gz MEULQAAMQSOQKO-XVNBXDOJSA-N -2 0 299.282 3.211 20 30 CGEDRL O=C([O-])c1cccc(C=CC(=O)c2sccc2[O-])c1 ZINC000773150582 627863022 /nfs/dbraw/zinc/86/30/22/627863022.db2.gz RFPRGHSRPSWDNH-PLNGDYQASA-N -2 0 274.297 3.048 20 30 CGEDRL N#Cc1c([O-])csc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664214 809738898 /nfs/dbraw/zinc/73/88/98/809738898.db2.gz NODJUBVQQOAAFS-UHFFFAOYSA-N -2 0 286.234 3.192 20 30 CGEDRL Cc1cc(Nc2cc(C#N)c(F)cc2[O-])cc(C(=O)[O-])c1 ZINC001211547202 814905416 /nfs/dbraw/zinc/90/54/16/814905416.db2.gz JYVFHSDGIXLNRQ-UHFFFAOYSA-N -2 0 286.262 3.153 20 30 CGEDRL O=C([O-])c1ccc(/C=C\C(=O)c2ccc(F)cc2[O-])cc1 ZINC000757476278 601825610 /nfs/dbraw/zinc/82/56/10/601825610.db2.gz PACFYGBGELSPQZ-BAQGIRSFSA-N -2 0 286.258 3.126 20 30 CGEDRL O=C([O-])c1csc(C=CC(=O)c2sccc2[O-])c1 ZINC000773149992 627862668 /nfs/dbraw/zinc/86/26/68/627862668.db2.gz OTOWIBKFFNANTD-OWOJBTEDSA-N -2 0 280.326 3.110 20 30 CGEDRL [O-]/N=C/c1ccc(-c2cc([O-])c(F)c(F)c2F)cc1F ZINC001245638494 803876503 /nfs/dbraw/zinc/87/65/03/803876503.db2.gz IWKNKJKLTXPDBT-BLLMUTORSA-N -2 0 285.196 3.424 20 30 CGEDRL N#Cc1c([O-])csc1Nc1cc([O-])c(F)c(F)c1F ZINC001249960339 805326413 /nfs/dbraw/zinc/32/64/13/805326413.db2.gz CCLWJFGWDUVVRT-UHFFFAOYSA-N -2 0 286.234 3.192 20 30 CGEDRL C=C(C)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242160927 822899694 /nfs/dbraw/zinc/89/96/94/822899694.db2.gz RCAPCAYMKSCXHC-UHFFFAOYSA-N -2 0 283.283 3.178 20 30 CGEDRL O=C([O-])c1csc(C=CC(=O)c2sccc2[O-])c1 ZINC000773150008 627862351 /nfs/dbraw/zinc/86/23/51/627862351.db2.gz OTOWIBKFFNANTD-UPHRSURJSA-N -2 0 280.326 3.110 20 30 CGEDRL O=C([O-])c1cccc(/C=C\C(=O)c2cc(F)ccc2[O-])c1 ZINC000774134831 627949461 /nfs/dbraw/zinc/94/94/61/627949461.db2.gz GLDLTTAOYASXQD-XQRVVYSFSA-N -2 0 286.258 3.126 20 30 CGEDRL Cc1ccc(C(=O)[O-])cc1Nc1cc(C#N)c(F)cc1[O-] ZINC001174984020 809227103 /nfs/dbraw/zinc/22/71/03/809227103.db2.gz JIOCHGDRTQMETK-UHFFFAOYSA-N -2 0 286.262 3.153 20 30 CGEDRL N#Cc1cc(Nc2cccc([S-])c2)c([O-])cc1F ZINC001210948259 814687529 /nfs/dbraw/zinc/68/75/29/814687529.db2.gz MGDSSTDZPKNVCE-UHFFFAOYSA-N -2 0 260.293 3.435 20 30 CGEDRL Cc1cc(Nc2scc([O-])c2C#N)cc(C)c1C(=O)[O-] ZINC001216309897 815775823 /nfs/dbraw/zinc/77/58/23/815775823.db2.gz OAUZWHSJHYYHSJ-UHFFFAOYSA-N -2 0 288.328 3.384 20 30 CGEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccc(F)cc2)c1 ZINC000757471417 626781646 /nfs/dbraw/zinc/78/16/46/626781646.db2.gz BWVFGSAOOWVRMV-CLTKARDFSA-N -2 0 286.258 3.126 20 30 CGEDRL N#Cc1cc(Nc2ccc(/C=C/C(=O)[O-])cc2)c([O-])cc1F ZINC001176595520 809727188 /nfs/dbraw/zinc/72/71/88/809727188.db2.gz KCOPZJDHKNNLPP-ZZXKWVIFSA-N -2 0 298.273 3.244 20 30 CGEDRL C=C(C)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162659 822900584 /nfs/dbraw/zinc/90/05/84/822900584.db2.gz ZNFUBANEWQKVBF-UHFFFAOYSA-N -2 0 283.283 3.178 20 30 CGEDRL O=C([O-])NC[C@@H](/N=C/c1ccccc1O)C1CCCCC1 ZINC000740598945 571832007 /nfs/dbraw/zinc/83/20/07/571832007.db2.gz XHVNVGQAOUQZNK-NGWPFTMJSA-N -2 0 290.363 3.028 20 30 CGEDRL O=C([O-])c1ccc(/C=C\C(=O)c2cc(Cl)ccc2[O-])o1 ZINC000833312078 601826095 /nfs/dbraw/zinc/82/60/95/601826095.db2.gz ISGXTXBOSDCJLY-DJWKRKHSSA-N -2 0 292.674 3.233 20 30 CGEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccccc2F)c1 ZINC000757473799 626781586 /nfs/dbraw/zinc/78/15/86/626781586.db2.gz PQNZTSVZQLVELQ-ALCCZGGFSA-N -2 0 286.258 3.126 20 30 CGEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccsc2)c1 ZINC000757473036 626781447 /nfs/dbraw/zinc/78/14/47/626781447.db2.gz MMMGUXQFAURGFL-HNQUOIGGSA-N -2 0 274.297 3.048 20 30 CGEDRL O=C(/C=C/c1cc(F)c([O-])c(F)c1)c1ccc(F)cc1[O-] ZINC000156720766 639983346 /nfs/dbraw/zinc/98/33/46/639983346.db2.gz LYKGUVSLTATVDQ-DAFODLJHSA-N -2 0 294.228 3.411 20 30 CGEDRL O=C([O-])c1cccc(/C=C2/CCc3cc(O)ccc3C2=O)c1 ZINC000158303570 640000825 /nfs/dbraw/zinc/00/08/25/640000825.db2.gz ZXPLVMZARMPEST-JYRVWZFOSA-N -2 0 294.306 3.303 20 30 CGEDRL N#Cc1cc(Nc2cc([O-])c(F)c(F)c2F)c([O-])cc1F ZINC001249965644 805332628 /nfs/dbraw/zinc/33/26/28/805332628.db2.gz FFGLJEIXCNZXED-UHFFFAOYSA-N -2 0 298.195 3.269 20 30 CGEDRL N#Cc1c([O-])csc1Nc1cc(F)c(F)c(C(=O)[O-])c1 ZINC001215459600 815521806 /nfs/dbraw/zinc/52/18/06/815521806.db2.gz RTFAQTXKXBJLNI-UHFFFAOYSA-N -2 0 296.254 3.045 20 30 CGEDRL N#Cc1c([O-])csc1Nc1c(F)cc(C(=O)[O-])cc1F ZINC001215611903 815547286 /nfs/dbraw/zinc/54/72/86/815547286.db2.gz DDAIQVPEKQGAAZ-UHFFFAOYSA-N -2 0 296.254 3.045 20 30 CGEDRL O=C([O-])c1occc1/C=C\C(=O)c1cc(Cl)ccc1[O-] ZINC000833094471 601825978 /nfs/dbraw/zinc/82/59/78/601825978.db2.gz IFONEVNFAKTIAR-IWQZZHSRSA-N -2 0 292.674 3.233 20 30 CGEDRL Cc1ccsc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000757475158 626782126 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0 288.324 3.356 20 30 CGEDRL CCc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1C#N ZINC001244953371 803589852 /nfs/dbraw/zinc/58/98/52/803589852.db2.gz ZOZQBDLOQHMVJA-UHFFFAOYSA-N -2 0 295.294 3.184 20 30 CGEDRL C=CCCS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC000350730526 527418626 /nfs/dbraw/zinc/41/86/26/527418626.db2.gz TWIANMVUCJVQOD-UHFFFAOYSA-N -2 0 296.175 3.017 20 30 CGEDRL O=C([O-])c1cccc(/C=C\C(=O)c2ccc([O-])c(F)c2)c1 ZINC000774139371 627950156 /nfs/dbraw/zinc/95/01/56/627950156.db2.gz PSGSEVHDJMRRDD-XQRVVYSFSA-N -2 0 286.258 3.126 20 30 CGEDRL O=C([O-])c1csc(/C=C/C(=O)c2cc(F)ccc2[O-])c1 ZINC000782206130 628624691 /nfs/dbraw/zinc/62/46/91/628624691.db2.gz GNPKKVOPCZTVJJ-DUXPYHPUSA-N -2 0 292.287 3.187 20 30 CGEDRL O=C([O-])c1ccc(C=CC(=O)c2sccc2[O-])cc1 ZINC000588495767 799701457 /nfs/dbraw/zinc/70/14/57/799701457.db2.gz RLIZIROJBIYJEC-UTCJRWHESA-N -2 0 274.297 3.048 20 30 CGEDRL O=C([O-])c1ccc(NN=Cc2cccc(Cl)c2[O-])cc1 ZINC000753162042 626447020 /nfs/dbraw/zinc/44/70/20/626447020.db2.gz 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816489824 /nfs/dbraw/zinc/48/98/24/816489824.db2.gz KTVVIMQDVKCOPE-UHFFFAOYSA-N -2 0 295.294 3.239 20 30 CGEDRL O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1cc(F)ccc1[O-] ZINC000255561739 618682245 /nfs/dbraw/zinc/68/22/45/618682245.db2.gz LFQDMNQKCZMRML-IWQZZHSRSA-N -2 0 294.228 3.411 20 30 CGEDRL Cc1ccccc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000584599124 346688891 /nfs/dbraw/zinc/68/88/91/346688891.db2.gz YLDHNGASXJUMOQ-SOFGYWHQSA-N -2 0 282.295 3.295 20 30 CGEDRL Cc1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC000229802041 601825662 /nfs/dbraw/zinc/82/56/62/601825662.db2.gz LZMPKTQNKWCEDN-UITAMQMPSA-N -2 0 282.295 3.295 20 30 CGEDRL O=C(/C=C\c1cc(F)c([O-])c(F)c1)c1ccc(F)cc1[O-] ZINC000255169259 618030245 /nfs/dbraw/zinc/03/02/45/618030245.db2.gz LYKGUVSLTATVDQ-RJRFIUFISA-N -2 0 294.228 3.411 20 30 CGEDRL O=C([O-])c1ccccc1NN=Cc1cccc(Cl)c1[O-] ZINC000753161200 626446983 /nfs/dbraw/zinc/44/69/83/626446983.db2.gz GSHWAMCBJZRFGQ-UHFFFAOYSA-N -2 0 290.706 3.190 20 30 CGEDRL O=C([O-])c1cccc(/C=C/C(=O)c2ccc([O-])c(F)c2)c1 ZINC000126425304 635016467 /nfs/dbraw/zinc/01/64/67/635016467.db2.gz PSGSEVHDJMRRDD-GQCTYLIASA-N -2 0 286.258 3.126 20 30 CGEDRL N#Cc1c([O-])csc1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213623373 815312478 /nfs/dbraw/zinc/31/24/78/815312478.db2.gz JBAIVRGCOCYACP-UHFFFAOYSA-N -2 0 288.328 3.086 20 30 CGEDRL Cc1c(Nc2cc(C#N)c(F)cc2[O-])cccc1C(=O)[O-] ZINC001216661387 815888489 /nfs/dbraw/zinc/88/84/89/815888489.db2.gz HCAUTTQKASATJV-UHFFFAOYSA-N -2 0 286.262 3.153 20 30 CGEDRL CC[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC001595131628 979556240 /nfs/dbraw/zinc/55/62/40/979556240.db2.gz YXYBHHMNICYFOO-CKLBDGOISA-N -2 0 290.146 3.229 20 30 CGEDRL Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C#N)c1 ZINC001176241225 809654235 /nfs/dbraw/zinc/65/42/35/809654235.db2.gz BSYONBFMDJJZEJ-UHFFFAOYSA-N -2 0 296.282 3.007 20 30 CGEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2cccs2)c1 ZINC000757473771 626781357 /nfs/dbraw/zinc/78/13/57/626781357.db2.gz OXZZULZYSKHZLF-XQRVVYSFSA-N -2 0 274.297 3.048 20 30 CGEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2cccc(F)c2)c1 ZINC000757472555 626781578 /nfs/dbraw/zinc/78/15/78/626781578.db2.gz KHJVVMRMSXPLCG-XQRVVYSFSA-N -2 0 286.258 3.126 20 30 CGEDRL Cc1ccccc1/C=C/C(=O)c1ccc(C(=O)[O-])cc1[O-] ZINC000806561561 630566710 /nfs/dbraw/zinc/56/67/10/630566710.db2.gz VVYRGJLLMMSUSY-VQHVLOKHSA-N -2 0 282.295 3.295 20 30 CGEDRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccccc2CS)c1 ZINC001242163520 822900982 /nfs/dbraw/zinc/90/09/82/822900982.db2.gz ZWXWFYVROFYXGW-UHFFFAOYSA-N -2 0 288.324 3.180 20 30 CGEDRL [O-]N=Cc1ccccc1-c1cc([O-])c(F)c(F)c1F ZINC001245641663 803878047 /nfs/dbraw/zinc/87/80/47/803878047.db2.gz XPZAVTZFLGJYKN-UHFFFAOYSA-N -2 0 267.206 3.285 20 30 CGEDRL O=C([O-])c1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])o1 ZINC000833312079 601826052 /nfs/dbraw/zinc/82/60/52/601826052.db2.gz ISGXTXBOSDCJLY-GORDUTHDSA-N -2 0 292.674 3.233 20 30 CGEDRL Cc1ccc(C(=O)/C=C\c2cc([O-])ccc2[N+](=O)[O-])c([O-])c1 ZINC000772801603 627824723 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Cc1cc(Nc2scc([O-])c2C#N)ccc1C(=O)[O-] ZINC001211652839 814926294 /nfs/dbraw/zinc/92/62/94/814926294.db2.gz PWBDDXVMXJFFJL-UHFFFAOYSA-N -2 0 274.301 3.076 20 30 CGEDRL Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C#N ZINC001176241640 809654104 /nfs/dbraw/zinc/65/41/04/809654104.db2.gz PJNDACJRRCXTSN-UHFFFAOYSA-N -2 0 296.282 3.007 20 30 CGEDRL Cc1c(F)cc(C(=O)[O-])cc1Nc1scc([O-])c1C#N ZINC001210006799 814239668 /nfs/dbraw/zinc/23/96/68/814239668.db2.gz HPEPPHJFRQSKKY-UHFFFAOYSA-N -2 0 292.291 3.215 20 30 CGEDRL O=C([O-])c1cc(F)c(-c2cc(/C=N/[O-])ccc2F)c(F)c1 ZINC001222411845 816437430 /nfs/dbraw/zinc/43/74/30/816437430.db2.gz CZHPIJWLBXDUGC-NGYBGAFCSA-N -2 0 295.216 3.277 20 30 CGEDRL Cc1cc(C#N)cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176244668 809654186 /nfs/dbraw/zinc/65/41/86/809654186.db2.gz XQPIADDPAIERHF-UHFFFAOYSA-N -2 0 296.282 3.007 20 30 CGEDRL C=CCC(CC=C)Oc1ccc(OP(=O)([O-])[O-])cc1 ZINC001234341551 818841747 /nfs/dbraw/zinc/84/17/47/818841747.db2.gz ZGCOOFGWXIELOP-UHFFFAOYSA-N 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