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(Nc1cccc(Cl)c1[O-])c1c([O-])cccc1F ZINC000185627818 249056786 /nfs/dbraw/zinc/05/67/86/249056786.db2.gz QMUOPMWCPOPYNF-UHFFFAOYSA-N -2 0 281.670 3.143 20 0 CGADRL C[C@H](Cc1cc(C(=O)[O-])cc(C(=O)[O-])c1)c1ccccc1 ZINC001250108221 805420428 /nfs/dbraw/zinc/42/04/28/805420428.db2.gz OWBWEAXEJJLDEL-LLVKDONJSA-N -2 0 284.311 3.429 20 0 CGADRL C[C@H](Nc1cc([S-])cc([S-])c1)c1cnccn1 ZINC001169538015 807659981 /nfs/dbraw/zinc/65/99/81/807659981.db2.gz OQEWWLSACRKWSQ-QMMMGPOBSA-N -2 0 263.391 3.227 20 0 CGADRL CC(C)NC(=O)[C@@H](Nc1cc([S-])cc([S-])c1)C(C)C ZINC001170197918 807792586 /nfs/dbraw/zinc/79/25/86/807792586.db2.gz UYJPBPXWQPQYFR-ZDUSSCGKSA-N -2 0 298.477 3.225 20 0 CGADRL O=C1N[C@H](Nc2cc([S-])cc([S-])c2)c2ccccc21 ZINC001171127527 807993420 /nfs/dbraw/zinc/99/34/20/807993420.db2.gz BEUVOAKAGOWHBD-ZDUSSCGKSA-N -2 0 288.397 3.118 20 0 CGADRL O=C([O-])c1cncc(Nc2c([S-])cccc2Cl)c1 ZINC001175843619 809554866 /nfs/dbraw/zinc/55/48/66/809554866.db2.gz VUZDCALKVYQMQC-UHFFFAOYSA-N -2 0 280.736 3.466 20 0 CGADRL Cc1cc(C(=O)[O-])ccc1Nc1ccc(C(=O)[O-])cc1 ZINC001211624826 814920254 /nfs/dbraw/zinc/92/02/54/814920254.db2.gz VOMVLFHCLDSLPH-UHFFFAOYSA-N -2 0 271.272 3.135 20 0 CGADRL O=C([O-])c1cc(Cl)cc(-c2ccccc2C(=O)[O-])c1 ZINC001243324294 823348236 /nfs/dbraw/zinc/34/82/36/823348236.db2.gz YNYLAQASURHQIW-UHFFFAOYSA-N -2 0 276.675 3.403 20 0 CGADRL COc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1C ZINC001241033515 821509369 /nfs/dbraw/zinc/50/93/69/821509369.db2.gz LORQVOLAJDYFTD-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1c(F)cc(F)cc1F ZINC001241170735 821614823 /nfs/dbraw/zinc/61/48/23/821614823.db2.gz BTOXVUBXIKYRBE-UHFFFAOYSA-N -2 0 296.200 3.167 20 0 CGADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1F ZINC001242160773 822899796 /nfs/dbraw/zinc/89/97/96/822899796.db2.gz KUFZMLIRVWWOMD-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3occc3c2)c1 ZINC001242161588 822900181 /nfs/dbraw/zinc/90/01/81/822900181.db2.gz CUEVXSXGNRJCPB-UHFFFAOYSA-N -2 0 282.251 3.496 20 0 CGADRL O=C1NCCc2cc(-c3cc([S-])cc([S-])c3)ccc21 ZINC001242325968 822951696 /nfs/dbraw/zinc/95/16/96/822951696.db2.gz XFMQIFVSULOXMG-UHFFFAOYSA-N -2 0 287.409 3.217 20 0 CGADRL O=C(Nc1ccc(O)c(Cl)c1)c1c(F)ccc(O)c1F ZINC001466225722 937707390 /nfs/dbraw/zinc/70/73/90/937707390.db2.gz RCNSYTJHYCVDDA-UHFFFAOYSA-N -2 0 299.660 3.282 20 0 CGADRL [S-]c1cc([S-])cc(NCCn2cccc2)c1 ZINC001164455102 806949485 /nfs/dbraw/zinc/94/94/85/806949485.db2.gz OZYRFFVSEKOOET-UHFFFAOYSA-N -2 0 250.392 3.178 20 0 CGADRL CCOc1ccc(C(=O)[O-])cc1-c1ccccc1C(=O)[O-] ZINC001244420442 803361504 /nfs/dbraw/zinc/36/15/04/803361504.db2.gz NJYZZYYNZKBGHC-UHFFFAOYSA-N -2 0 286.283 3.149 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc2ccc(F)cc2[nH]1 ZINC001245588489 803835420 /nfs/dbraw/zinc/83/54/20/803835420.db2.gz OSRRSSSNLYJAEB-UHFFFAOYSA-N -2 0 299.257 3.370 20 0 CGADRL CC[C@@H](C)S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC001260739291 807702100 /nfs/dbraw/zinc/70/21/00/807702100.db2.gz HJNYUMYEYMAENO-ZCFIWIBFSA-N -2 0 298.191 3.239 20 0 CGADRL O=C([O-])/C=C/c1cccc(Nc2ccc(C(=O)[O-])cc2)c1 ZINC001174496913 809043829 /nfs/dbraw/zinc/04/38/29/809043829.db2.gz ZGXGMSJRXXPJFR-RUDMXATFSA-N -2 0 283.283 3.226 20 0 CGADRL OCCc1cccc(-c2cc([S-])cc([S-])c2)c1 ZINC001239035516 820200306 /nfs/dbraw/zinc/20/03/06/820200306.db2.gz VGRUZLZOXUXSGL-UHFFFAOYSA-N -2 0 262.399 3.466 20 0 CGADRL COc1ccc(C)cc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001239766769 820587200 /nfs/dbraw/zinc/58/72/00/820587200.db2.gz MKOSGUXFIOTVEK-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL Cc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(C)c1 ZINC001239809942 820625106 /nfs/dbraw/zinc/62/51/06/820625106.db2.gz NSEIYTLZNOLPPQ-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL [S-]c1cc([S-])cc(-c2cnc3n[nH]cc3c2)c1 ZINC001241426496 821823488 /nfs/dbraw/zinc/82/34/88/821823488.db2.gz DZIFJSMJVCUUNJ-UHFFFAOYSA-N -2 0 259.359 3.202 20 0 CGADRL COc1ccc(-c2cccc([S-])c2)cc1C(=O)[O-] ZINC001241868259 822187235 /nfs/dbraw/zinc/18/72/35/822187235.db2.gz AOTUACWLUCKAQZ-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccnc3ccccc32)c1 ZINC001242161273 822899704 /nfs/dbraw/zinc/89/97/04/822899704.db2.gz SDUVPHLCTPSVKJ-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(C3CC3)ccn2)c1 ZINC001242159150 822899903 /nfs/dbraw/zinc/89/99/03/822899903.db2.gz IEUVHMYFDRWRDC-UHFFFAOYSA-N -2 0 283.283 3.022 20 0 CGADRL Cc1c(F)cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1F ZINC001242286622 822939089 /nfs/dbraw/zinc/93/90/89/822939089.db2.gz CVTMTLXTWLHGLN-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL CC(C)CCc1cc(=O)n(-c2ccc(C(=O)[O-])cc2F)[n-]1 ZINC000871958518 633928046 /nfs/dbraw/zinc/92/80/46/633928046.db2.gz IANOORJNIDIGPD-UHFFFAOYSA-N -2 0 292.310 3.053 20 0 CGADRL CC(=O)c1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cs1 ZINC001244623163 803469196 /nfs/dbraw/zinc/46/91/96/803469196.db2.gz AXOXSDJTTIOEFQ-UHFFFAOYSA-N -2 0 290.296 3.014 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc(C2CC2)nc1 ZINC001238852778 820135206 /nfs/dbraw/zinc/13/52/06/820135206.db2.gz PHNVPGSEJXDZQO-UHFFFAOYSA-N -2 0 283.283 3.022 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2scnc2c1 ZINC001241867059 822186061 /nfs/dbraw/zinc/18/60/61/822186061.db2.gz MRMGLZAPDILBIT-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc3[nH]ccc3cc2F)c1 ZINC001242161694 822900318 /nfs/dbraw/zinc/90/03/18/822900318.db2.gz ILGVQYHJNRMMTA-UHFFFAOYSA-N -2 0 299.257 3.370 20 0 CGADRL O=C([O-])c1cccc(-c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000065350644 304254946 /nfs/dbraw/zinc/25/49/46/304254946.db2.gz UYMWSKZCUQYEOS-UHFFFAOYSA-N -2 0 276.675 3.403 20 0 CGADRL CCc1c(Cl)cc([N-]S(=O)(=O)CC)c([O-])c1Cl ZINC001253361596 806210209 /nfs/dbraw/zinc/21/02/09/806210209.db2.gz VEWQJDRTPSHGBH-UHFFFAOYSA-N -2 0 298.191 3.023 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2ccc(C3CCC3)cc2)cc1 ZINC001244942933 803585277 /nfs/dbraw/zinc/58/52/77/803585277.db2.gz QAIQIZZMKIRVRS-UHFFFAOYSA-N -2 0 288.283 3.424 20 0 CGADRL Cc1cc(-c2cc(Cl)c([O-])cc2F)cnc1C(=O)[O-] ZINC001245670373 803900041 /nfs/dbraw/zinc/90/00/41/803900041.db2.gz GSYOOPRXODHQHK-UHFFFAOYSA-N -2 0 281.670 3.253 20 0 CGADRL Cc1c(F)ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1F ZINC001245692055 803912708 /nfs/dbraw/zinc/91/27/08/803912708.db2.gz NEJBWWDPUYWHJT-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL Cc1cc(C)cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176238908 809654069 /nfs/dbraw/zinc/65/40/69/809654069.db2.gz VFRFYRWOSXWMRS-UHFFFAOYSA-N -2 0 285.299 3.443 20 0 CGADRL Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176238683 809654569 /nfs/dbraw/zinc/65/45/69/809654569.db2.gz SQFGKVLMUQCSIO-UHFFFAOYSA-N -2 0 271.272 3.135 20 0 CGADRL CC(C)(C)c1nnc([N-]c2c(F)cc(C(=O)[O-])cc2F)o1 ZINC001215608988 815546807 /nfs/dbraw/zinc/54/68/07/815546807.db2.gz MSJRGYAMQCPHLT-UHFFFAOYSA-N -2 0 297.261 3.087 20 0 CGADRL [S-]c1cc([S-])cc(-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC001241444378 821838875 /nfs/dbraw/zinc/83/88/75/821838875.db2.gz ASNFUOOHCIMKKQ-UHFFFAOYSA-N -2 0 286.385 3.111 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3ccncc3c2)c1 ZINC001242160391 822899902 /nfs/dbraw/zinc/89/99/02/822899902.db2.gz CIXVKUMHULEXJN-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3scnc32)c1 ZINC001242161891 822900427 /nfs/dbraw/zinc/90/04/27/822900427.db2.gz NFDOGWSPBFPKEU-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL CC(C)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242162093 822900548 /nfs/dbraw/zinc/90/05/48/822900548.db2.gz DDLOZZHJZARZNL-UHFFFAOYSA-N -2 0 285.299 3.268 20 0 CGADRL O=C([O-])c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000065339849 304230356 /nfs/dbraw/zinc/23/03/56/304230356.db2.gz IVMPBEWLEHCVGD-UHFFFAOYSA-N -2 0 276.675 3.403 20 0 CGADRL Cc1cc(Nc2ccc(C(=O)[O-])cc2)ccc1C(=O)[O-] ZINC001211658340 814927417 /nfs/dbraw/zinc/92/74/17/814927417.db2.gz LNALXBFGLAEWHQ-UHFFFAOYSA-N -2 0 271.272 3.135 20 0 CGADRL O=C([O-])c1cc(Nc2cccc3[nH]ccc32)cc(C(=O)[O-])c1 ZINC001159936467 806201736 /nfs/dbraw/zinc/20/17/36/806201736.db2.gz XAHCEWQXCILETN-UHFFFAOYSA-N -2 0 296.282 3.308 20 0 CGADRL Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C ZINC001176239516 809654496 /nfs/dbraw/zinc/65/44/96/809654496.db2.gz ZVUVXLNWRHHXBR-UHFFFAOYSA-N -2 0 285.299 3.443 20 0 CGADRL O=C([O-])Cc1cccc(Nc2ccccc2[S-])c1 ZINC001210070877 814273520 /nfs/dbraw/zinc/27/35/20/814273520.db2.gz MXIJRRGDHKUVPA-UHFFFAOYSA-N -2 0 259.330 3.346 20 0 CGADRL CCOc1ccccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001239559433 820410645 /nfs/dbraw/zinc/41/06/45/820410645.db2.gz NHZVTTBQJGSALC-UHFFFAOYSA-N -2 0 286.283 3.149 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1/C=C/c1ccccc1 ZINC001239594054 820442168 /nfs/dbraw/zinc/44/21/68/820442168.db2.gz NXQVCSJDDMBFPY-MDZDMXLPSA-N -2 0 268.268 3.253 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1c2cc[nH]c2ccc1F ZINC001240214714 820883977 /nfs/dbraw/zinc/88/39/77/820883977.db2.gz BYKLRYYLHREZDB-UHFFFAOYSA-N -2 0 299.257 3.370 20 0 CGADRL COc1cc(C(=O)[O-])ccc1-c1ccc([S-])cc1F ZINC001240736334 821289229 /nfs/dbraw/zinc/28/92/29/821289229.db2.gz AOWSODACDICHQK-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL Cc1cc(F)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242160701 822899875 /nfs/dbraw/zinc/89/98/75/822899875.db2.gz IOCWZCFXFBKBLV-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL Cc1ccc(F)cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160441 822899963 /nfs/dbraw/zinc/89/99/63/822899963.db2.gz DOVVOONLGMYUBD-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL Cc1ccc(C)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162128 822900148 /nfs/dbraw/zinc/90/01/48/822900148.db2.gz PFMCASDBFORISE-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3ncsc32)c1 ZINC001242162988 822900598 /nfs/dbraw/zinc/90/05/98/822900598.db2.gz OCSPWHRTVVBWBF-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL O=C([O-])Cc1cccc(-c2cc(F)ccc2[S-])c1 ZINC001242265132 822930735 /nfs/dbraw/zinc/93/07/35/822930735.db2.gz QDCNNIIQXHEHCD-UHFFFAOYSA-N -2 0 262.305 3.409 20 0 CGADRL Cc1ccc(C(=O)[O-])cc1-c1ccccc1C(=O)[O-] ZINC000623049964 349756070 /nfs/dbraw/zinc/75/60/70/349756070.db2.gz NOAVSFSMELZWJB-UHFFFAOYSA-N -2 0 256.257 3.058 20 0 CGADRL CCCCc1[n-]n(-c2ccc(C(=O)[O-])cc2F)c(=O)c1C ZINC000634619422 351546736 /nfs/dbraw/zinc/54/67/36/351546736.db2.gz YLHTVXOPUOBMFU-SECBINFHSA-N -2 0 292.310 3.053 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3cccnc32)c1 ZINC001250638960 805743651 /nfs/dbraw/zinc/74/36/51/805743651.db2.gz PBIRTCYXKZLVCH-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL Cc1cc(C2CC2)ccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001244278593 803275253 /nfs/dbraw/zinc/27/52/53/803275253.db2.gz HXXHAFYYCSBQJZ-UHFFFAOYSA-N -2 0 288.283 3.342 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc(Cl)cc1O ZINC001244470026 803385797 /nfs/dbraw/zinc/38/57/97/803385797.db2.gz WNYWXXUNBNNPRT-UHFFFAOYSA-N -2 0 292.674 3.109 20 0 CGADRL Cc1noc2ccc(-c3c(C(=O)[O-])cccc3C(=O)[O-])cc12 ZINC001245280057 803690069 /nfs/dbraw/zinc/69/00/69/803690069.db2.gz IZFCSFBLPSSEJG-UHFFFAOYSA-N -2 0 297.266 3.200 20 0 CGADRL O=C([O-])c1cc(Nc2ccccc2[S-])cc(C(=O)[O-])c1 ZINC001176241668 809654502 /nfs/dbraw/zinc/65/45/02/809654502.db2.gz QXYOTSIKXNXXCF-UHFFFAOYSA-N -3 0 289.312 3.115 20 0 CGADRL O=C([O-])c1ccc(Nc2ccc(Cl)cc2[S-])cn1 ZINC001210176190 814321306 /nfs/dbraw/zinc/32/13/06/814321306.db2.gz RFVZCDMJCVCNEZ-UHFFFAOYSA-N -2 0 280.736 3.466 20 0 CGADRL C[C@@H](Oc1cc(=O)[nH]c(-c2ccccc2)n1)C1=CC=C[CH]1 ZINC001226184209 817292527 /nfs/dbraw/zinc/29/25/27/817292527.db2.gz CHPPANUBAFPWEG-GFCCVEGCSA-N -2 0 279.319 3.317 20 0 CGADRL CSc1cc(F)cc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001243561506 823445370 /nfs/dbraw/zinc/44/53/70/823445370.db2.gz BYORAISSRQZCMC-UHFFFAOYSA-N -2 0 298.275 3.018 20 0 CGADRL Cc1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1C ZINC001239715186 820542573 /nfs/dbraw/zinc/54/25/73/820542573.db2.gz LDXPZUSMCMYNJB-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL Cc1ccc(F)cc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001240919227 821415218 /nfs/dbraw/zinc/41/52/18/821415218.db2.gz BLGCGPKXUAXARW-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL Nc1n[nH]c2ccc(-c3cc([S-])cc([S-])c3)cc12 ZINC001241730247 822108971 /nfs/dbraw/zinc/10/89/71/822108971.db2.gz ZNGTUVBMMRIBQS-UHFFFAOYSA-N -2 0 273.386 3.390 20 0 CGADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)cc1F ZINC001242161000 822899683 /nfs/dbraw/zinc/89/96/83/822899683.db2.gz NMKSOLUXCRVGAG-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL Cc1cc(F)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161517 822900158 /nfs/dbraw/zinc/90/01/58/822900158.db2.gz YGQUKRPDTCZIQI-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc3[nH]ccc3c(F)c2)c1 ZINC001242162919 822900231 /nfs/dbraw/zinc/90/02/31/822900231.db2.gz MVZYGETVQUGAKP-UHFFFAOYSA-N -2 0 299.257 3.370 20 0 CGADRL O=C([O-])C1(C(=O)Nc2cccc(Cl)c2[O-])CCCCC1 ZINC001574640790 962310492 /nfs/dbraw/zinc/31/04/92/962310492.db2.gz JOFXBIXNVYVWFN-UHFFFAOYSA-N -2 0 297.738 3.019 20 0 CGADRL O=C(Nc1cccc(Cl)c1[O-])c1ccc(F)cc1[O-] ZINC000179004951 373827764 /nfs/dbraw/zinc/82/77/64/373827764.db2.gz WZRBZIHSMLWKSV-UHFFFAOYSA-N -2 0 281.670 3.143 20 0 CGADRL [S-]c1cc([S-])cc(NCCc2cncs2)c1 ZINC001169867839 807719319 /nfs/dbraw/zinc/71/93/19/807719319.db2.gz YVKQBJYWKPTOEE-UHFFFAOYSA-N -2 0 268.432 3.375 20 0 CGADRL COc1cc(Nc2ccccc2[S-])ccc1C(=O)[O-] ZINC001174685337 809130298 /nfs/dbraw/zinc/13/02/98/809130298.db2.gz RPYQUPQMGLCKDC-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL O=C([O-])c1cc(Nc2cccc(C3CC3)n2)cc(C(=O)[O-])c1 ZINC001176236848 809653519 /nfs/dbraw/zinc/65/35/19/809653519.db2.gz FMHFERXFJAHFDZ-UHFFFAOYSA-N -2 0 298.298 3.099 20 0 CGADRL Cc1c(F)cccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238835 809654317 /nfs/dbraw/zinc/65/43/17/809654317.db2.gz UIHKWYIUKKDHSI-UHFFFAOYSA-N -2 0 289.262 3.274 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2cccc(C(F)F)c2)cc1 ZINC001240692818 821247656 /nfs/dbraw/zinc/24/76/56/821247656.db2.gz MMQIEAUKRBZTRQ-UHFFFAOYSA-N -2 0 284.198 3.094 20 0 CGADRL Cc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1C ZINC001240702055 821257762 /nfs/dbraw/zinc/25/77/62/821257762.db2.gz XRSMMQQSWVJYPS-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL COc1cc(C(=O)[O-])ccc1-c1ccc([S-])c(F)c1 ZINC001240736047 821289387 /nfs/dbraw/zinc/28/93/87/821289387.db2.gz HOAJCCIPAXTYLQ-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL O=C([O-])Cc1ccc(-c2ccc([S-])cc2F)cc1 ZINC001240976203 821460325 /nfs/dbraw/zinc/46/03/25/821460325.db2.gz SQLZTFYSFSKKBO-UHFFFAOYSA-N -2 0 262.305 3.409 20 0 CGADRL COc1ccc(-c2ccc([S-])cc2)cc1C(=O)[O-] ZINC001241868745 822186972 /nfs/dbraw/zinc/18/69/72/822186972.db2.gz NHDAMJMVCVOOFI-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3c2CCC3)c1 ZINC001242160955 822899936 /nfs/dbraw/zinc/89/99/36/822899936.db2.gz MDJGSVJRUJYPDA-UHFFFAOYSA-N -2 0 282.295 3.239 20 0 CGADRL Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)c1 ZINC001242161548 822900251 /nfs/dbraw/zinc/90/02/51/822900251.db2.gz ZDONKSUFYQYLLR-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL Cc1cc(F)c(F)cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162283 822900494 /nfs/dbraw/zinc/90/04/94/822900494.db2.gz SOUVTYICMBKIBV-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL C[C@H](C(=O)[O-])c1ccc(-c2cccc(C(=O)[O-])c2)s1 ZINC001589497940 963994789 /nfs/dbraw/zinc/99/47/89/963994789.db2.gz PYTZAVYBSSVOOL-QMMMGPOBSA-N -2 0 276.313 3.301 20 0 CGADRL O=C([O-])c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)s1 ZINC000035426446 172194027 /nfs/dbraw/zinc/19/40/27/172194027.db2.gz VDYANHYMISEJGV-UHFFFAOYSA-N -2 0 297.719 3.058 20 0 CGADRL Nc1ccccc1CNc1cc([S-])cc([S-])c1 ZINC001163890654 806848180 /nfs/dbraw/zinc/84/81/80/806848180.db2.gz HFVFRLXVVGNPJT-UHFFFAOYSA-N -2 0 262.403 3.458 20 0 CGADRL COc1cc(C(=O)[O-])cc(-c2ccc([S-])c(F)c2)c1 ZINC001244178018 803227885 /nfs/dbraw/zinc/22/78/85/803227885.db2.gz UTNUUEDCQODTLH-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL O=C([O-])CCc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC001244186690 803232399 /nfs/dbraw/zinc/23/23/99/803232399.db2.gz LDSXFHQFTKYFCK-UHFFFAOYSA-N -2 0 270.284 3.069 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2ccc(F)c3ccoc32)cc1 ZINC001244932745 803582113 /nfs/dbraw/zinc/58/21/13/803582113.db2.gz SXCHRNPHZYFUPK-UHFFFAOYSA-N -2 0 292.202 3.042 20 0 CGADRL Cc1cc(F)c(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1F ZINC001245544487 803803432 /nfs/dbraw/zinc/80/34/32/803803432.db2.gz HZYWWGOIDIVJDT-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL CC(C)(C)[C@H](CO)Nc1cc([S-])cc([S-])c1 ZINC001168562470 807447249 /nfs/dbraw/zinc/44/72/49/807447249.db2.gz PCOLNHJAYNLSDX-NSHDSACASA-N -2 0 257.424 3.083 20 0 CGADRL O=C(CNc1cc([S-])cc([S-])c1)Cc1ccccc1 ZINC001170187515 807789402 /nfs/dbraw/zinc/78/94/02/807789402.db2.gz YXLXVSVVZWCPJZ-UHFFFAOYSA-N -2 0 289.425 3.488 20 0 CGADRL O=C([O-])Cc1ccc(Nc2ccccc2[S-])cc1 ZINC001174952178 809212511 /nfs/dbraw/zinc/21/25/11/809212511.db2.gz MQMMCMZXYSKFAZ-UHFFFAOYSA-N -2 0 259.330 3.346 20 0 CGADRL O=c1[nH]cc(-c2cc([S-])cc([S-])c2)cc1F ZINC001242616509 823063510 /nfs/dbraw/zinc/06/35/10/823063510.db2.gz SGJRHJLWXAUQJF-UHFFFAOYSA-N -2 0 253.323 3.171 20 0 CGADRL COc1ccc(C(=O)[O-])cc1Nc1ccccc1[S-] ZINC001210258594 814370472 /nfs/dbraw/zinc/37/04/72/814370472.db2.gz OZCMSDVHZFWQMU-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL COc1c(C(=O)[O-])cccc1-c1ccccc1/C=C/C(=O)[O-] ZINC001242923997 823173503 /nfs/dbraw/zinc/17/35/03/823173503.db2.gz VXMCTMPTZRPMJV-MDZDMXLPSA-N -2 0 298.294 3.158 20 0 CGADRL Cc1cc(C(=O)[O-])cc(-c2ccccc2/C=C/C(=O)[O-])c1 ZINC001243179661 823275711 /nfs/dbraw/zinc/27/57/11/823275711.db2.gz ZQSYOTZOJBZGOO-VOTSOKGWSA-N -2 0 282.295 3.458 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2cccc3ccccc32)cc1 ZINC001239472378 820322345 /nfs/dbraw/zinc/32/23/45/820322345.db2.gz QTVFDNMHQVQGNL-UHFFFAOYSA-N -2 0 284.251 3.310 20 0 CGADRL COc1ncc(-c2cc([S-])cc([S-])c2)cc1F ZINC001239518564 820365875 /nfs/dbraw/zinc/36/58/75/820365875.db2.gz PLWQPXJTLMIJIC-UHFFFAOYSA-N -2 0 267.350 3.474 20 0 CGADRL C=Cc1ccccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160385 822899675 /nfs/dbraw/zinc/89/96/75/822899675.db2.gz CHHPUYJQYJGSBG-UHFFFAOYSA-N -2 0 268.268 3.393 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3cnccc3c2)c1 ZINC001242160312 822899723 /nfs/dbraw/zinc/89/97/23/822899723.db2.gz ANPHCXHDDXMNEB-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL Cc1ccc(N(C)C)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242162291 822900256 /nfs/dbraw/zinc/90/02/56/822900256.db2.gz DTFCVCWSPQSLNT-UHFFFAOYSA-N -2 0 299.326 3.124 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccccc2OC2CC2)c1 ZINC001242162834 822900288 /nfs/dbraw/zinc/90/02/88/822900288.db2.gz KHMOOCBQKVHYAX-UHFFFAOYSA-N -2 0 298.294 3.291 20 0 CGADRL O=C([O-])Cc1cccc(-c2ccc([S-])cc2F)c1 ZINC001242264484 822930794 /nfs/dbraw/zinc/93/07/94/822930794.db2.gz OFRQKUKEUUCBBO-UHFFFAOYSA-N -2 0 262.305 3.409 20 0 CGADRL CC[C@@H](Cc1ccccc1-c1cncc(C(=O)[O-])c1)C(=O)[O-] ZINC001595213654 980008870 /nfs/dbraw/zinc/00/88/70/980008870.db2.gz UVHYBRUYOHNATA-NSHDSACASA-N -2 0 299.326 3.100 20 0 CGADRL CC[C@H](Cc1ccccc1-c1cncc(C(=O)[O-])c1)C(=O)[O-] ZINC001595213653 980009230 /nfs/dbraw/zinc/00/92/30/980009230.db2.gz UVHYBRUYOHNATA-LLVKDONJSA-N -2 0 299.326 3.100 20 0 CGADRL CNC(=O)c1ccc(-c2cc([S-])cc([S-])c2)c(F)c1 ZINC001244666008 803485938 /nfs/dbraw/zinc/48/59/38/803485938.db2.gz ZYMBAGWKEPGWRW-UHFFFAOYSA-N -2 0 293.388 3.430 20 0 CGADRL O=C([O-])c1cnc(F)c(-c2ccc([S-])cc2F)c1 ZINC001244763339 803523857 /nfs/dbraw/zinc/52/38/57/803523857.db2.gz XFIOWIMVUKSISB-UHFFFAOYSA-N -2 0 267.256 3.014 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2cccc(C3CCC3)c2)cc1 ZINC001244980350 803602622 /nfs/dbraw/zinc/60/26/22/803602622.db2.gz CXYSDBTVLHFTRG-UHFFFAOYSA-N -2 0 288.283 3.424 20 0 CGADRL Cc1cccc(-c2cc(=O)n(-c3ccccc3C(=O)[O-])[n-]2)c1 ZINC001245918704 804047115 /nfs/dbraw/zinc/04/71/15/804047115.db2.gz YBCJALXRGAFGKV-UHFFFAOYSA-N -2 0 294.310 3.252 20 0 CGADRL CCc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176241253 809654301 /nfs/dbraw/zinc/65/43/01/809654301.db2.gz CFHIBEASBLNXSN-UHFFFAOYSA-N -2 0 285.299 3.389 20 0 CGADRL CC(=O)c1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176241765 809654454 /nfs/dbraw/zinc/65/44/54/809654454.db2.gz WIEOZKLKZJCQQD-UHFFFAOYSA-N -2 0 299.282 3.029 20 0 CGADRL O=C1Cc2cc(-c3cc([S-])cc([S-])c3)ccc2N1 ZINC001206228075 813249404 /nfs/dbraw/zinc/24/94/04/813249404.db2.gz JDFXWWFRMPAMSJ-UHFFFAOYSA-N -2 0 273.382 3.426 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc(F)c(F)c(F)c1 ZINC001240980253 821462951 /nfs/dbraw/zinc/46/29/51/821462951.db2.gz CWCJIBWDOVQXAN-UHFFFAOYSA-N -2 0 296.200 3.167 20 0 CGADRL CSc1ncc(-c2cc([S-])cc([S-])c2)cn1 ZINC001241630472 822009180 /nfs/dbraw/zinc/00/91/80/822009180.db2.gz XPYHSJDYKVTOMJ-UHFFFAOYSA-N -2 0 266.416 3.443 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3ccncc32)c1 ZINC001242160777 822899879 /nfs/dbraw/zinc/89/98/79/822899879.db2.gz LDLVVUUYJDXDMI-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccnc(C3CC3)c2)c1 ZINC001242162960 822900269 /nfs/dbraw/zinc/90/02/69/822900269.db2.gz MYQXPOFCZCOUSY-UHFFFAOYSA-N -2 0 283.283 3.022 20 0 CGADRL Cc1c([S-])ccc(-c2cc(C(=O)[O-])cnc2F)c1F ZINC001244763210 803523659 /nfs/dbraw/zinc/52/36/59/803523659.db2.gz XFGJGHBPGPENCL-UHFFFAOYSA-N -2 0 281.283 3.322 20 0 CGADRL CSc1ccc(F)c(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001245747126 803940633 /nfs/dbraw/zinc/94/06/33/803940633.db2.gz RGSKEWLQJRMSIG-UHFFFAOYSA-N -2 0 298.275 3.018 20 0 CGADRL O=C([O-])c1ccccc1-n1[n-]c(-c2ccsc2)cc1=O ZINC001245948421 804080542 /nfs/dbraw/zinc/08/05/42/804080542.db2.gz DPRYDGAIGOXLHB-UHFFFAOYSA-N -2 0 286.312 3.005 20 0 CGADRL COc1cc(C(=O)[O-])ccc1Nc1ccccc1[S-] ZINC001174677172 809127086 /nfs/dbraw/zinc/12/70/86/809127086.db2.gz KINDTXWYABMZIR-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL O=C([O-])c1ccccc1-c1ccc(F)c(C(=O)[O-])c1F ZINC001205088733 812857968 /nfs/dbraw/zinc/85/79/68/812857968.db2.gz NAKSAKPCQVZQBH-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL Cc1cc(=O)c2c(O[C@H](C)C3=CC=C[CH]3)cc([O-])cc2o1 ZINC001234815808 818926147 /nfs/dbraw/zinc/92/61/47/818926147.db2.gz ZTSQCQBCILIGEL-LLVKDONJSA-N -2 0 283.303 3.275 20 0 CGADRL [S-]c1cc([S-])cc(-c2cnn([C@H]3CCOC3)c2)c1 ZINC001240641371 821209010 /nfs/dbraw/zinc/20/90/10/821209010.db2.gz RNZZYQOEWKBNQD-NSHDSACASA-N -2 0 278.402 3.089 20 0 CGADRL COc1cc(-c2ccc([S-])cc2F)ccc1C(=O)[O-] ZINC001240745199 821296832 /nfs/dbraw/zinc/29/68/32/821296832.db2.gz WGVZVYNZEPPTSV-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL COc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1C ZINC001240863765 821378388 /nfs/dbraw/zinc/37/83/88/821378388.db2.gz AGMCOKOWFXOVFN-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nccc3sccc32)c1 ZINC001242159867 822899726 /nfs/dbraw/zinc/89/97/26/822899726.db2.gz USPWGTQDXUHKNE-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc([S-])c2)c1 ZINC001242161260 822899778 /nfs/dbraw/zinc/89/97/78/822899778.db2.gz RRNUTZAFUBLQNW-UHFFFAOYSA-N -3 0 274.297 3.039 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncccc2C(F)F)c1 ZINC001242160999 822899906 /nfs/dbraw/zinc/89/99/06/822899906.db2.gz SJSDQCRWZXKLHF-UHFFFAOYSA-N -2 0 293.225 3.083 20 0 CGADRL O=C([O-])Cc1cccc(-c2ccc3oc(=S)[n-]c3c2)c1 ZINC001242263473 822930149 /nfs/dbraw/zinc/93/01/49/822930149.db2.gz GUUUABMAQKEHPS-UHFFFAOYSA-N -2 0 285.324 3.411 20 0 CGADRL O=P([O-])([O-])c1ccc(C2=CCCCCCC2)cc1 ZINC001242505858 823013832 /nfs/dbraw/zinc/01/38/32/823013832.db2.gz NFDCRTXKTHGXTI-UHFFFAOYSA-N -2 0 266.277 3.227 20 0 CGADRL O=C([O-])c1csc(NC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000833342818 602182515 /nfs/dbraw/zinc/18/25/15/602182515.db2.gz XRVDNEKNVRLIPO-UHFFFAOYSA-N -2 0 297.719 3.058 20 0 CGADRL COCCOc1ccc(-c2cc([S-])cc([S-])c2)cn1 ZINC001244444482 803369278 /nfs/dbraw/zinc/36/92/78/803369278.db2.gz AUMGNHPBKFSDNA-UHFFFAOYSA-N -2 0 293.413 3.351 20 0 CGADRL COc1cnc(F)c(-c2cc([S-])cc([S-])c2)c1 ZINC001245063837 803628361 /nfs/dbraw/zinc/62/83/61/803628361.db2.gz WHXCOHVIXPFBEY-UHFFFAOYSA-N -2 0 267.350 3.474 20 0 CGADRL Cc1c(C(=O)[O-])cccc1-c1ccccc1/C=C/C(=O)[O-] ZINC001245299357 803694921 /nfs/dbraw/zinc/69/49/21/803694921.db2.gz IGSPRGFDWPHLEP-MDZDMXLPSA-N -2 0 282.295 3.458 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc(O)cc(Cl)c1 ZINC001235905046 819214684 /nfs/dbraw/zinc/21/46/84/819214684.db2.gz UESTXEZBHATGKW-UHFFFAOYSA-N -2 0 292.674 3.109 20 0 CGADRL CS(=O)(=O)c1ccc(-c2cc([S-])cc([S-])c2)cc1 ZINC001239702975 820531303 /nfs/dbraw/zinc/53/13/03/820531303.db2.gz WOALFYZKSWROIK-UHFFFAOYSA-N -2 0 296.438 3.335 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3[nH]ccc3c2F)c1 ZINC001242161082 822899881 /nfs/dbraw/zinc/89/98/81/822899881.db2.gz QIQUAXYCIIRDKP-UHFFFAOYSA-N -2 0 299.257 3.370 20 0 CGADRL COCCCn1cc(-c2cc([S-])cc([S-])c2)cn1 ZINC001242489688 823009780 /nfs/dbraw/zinc/00/97/80/823009780.db2.gz SMSZKUGMWOHUGL-UHFFFAOYSA-N -2 0 280.418 3.164 20 0 CGADRL O=C([O-])/C=C/c1ccccc1-c1ccccc1C(=O)[O-] ZINC000001721298 937226384 /nfs/dbraw/zinc/22/63/84/937226384.db2.gz FDUMRDMSXPEDSB-MDZDMXLPSA-N -2 0 268.268 3.150 20 0 CGADRL Cc1ccc(-c2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000623049951 349756031 /nfs/dbraw/zinc/75/60/31/349756031.db2.gz LXFYXCZHNORFMH-UHFFFAOYSA-N -2 0 256.257 3.058 20 0 CGADRL CCCCc1[n-]n(-c2ccc(C(=O)[O-])c(F)c2)c(=O)c1C ZINC000634630765 351552540 /nfs/dbraw/zinc/55/25/40/351552540.db2.gz DGQVPGSOARCPMI-SECBINFHSA-N -2 0 292.310 3.053 20 0 CGADRL OCCc1ccc(-c2cc([S-])cc([S-])c2)cc1 ZINC001243849170 803047295 /nfs/dbraw/zinc/04/72/95/803047295.db2.gz KMQPAFFYJWFBHL-UHFFFAOYSA-N -2 0 262.399 3.466 20 0 CGADRL Cc1cc(Cl)ncc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001244914109 803574473 /nfs/dbraw/zinc/57/44/73/803574473.db2.gz VKCBSNJUPNTSLY-UHFFFAOYSA-N -2 0 291.690 3.107 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc(Cl)ccc1O ZINC001245050309 803622220 /nfs/dbraw/zinc/62/22/20/803622220.db2.gz FLBAFPHFJZKYCL-UHFFFAOYSA-N -2 0 292.674 3.109 20 0 CGADRL Nc1ncc(-c2cc([S-])cc([S-])c2)cc1F ZINC001245520203 803786385 /nfs/dbraw/zinc/78/63/85/803786385.db2.gz UAQMJBWTCTXAFO-UHFFFAOYSA-N -2 0 252.339 3.047 20 0 CGADRL CSc1ccccc1[N-]C(=S)N[C@@H]1[CH]CC=C1 ZINC001249715939 805222275 /nfs/dbraw/zinc/22/22/75/805222275.db2.gz ABOALERZRBIAOG-JTQLQIEISA-N -2 0 263.411 3.228 20 0 CGADRL FC1(CNc2cc([S-])cc([S-])c2)CCOCC1 ZINC001168129782 807318073 /nfs/dbraw/zinc/31/80/73/807318073.db2.gz MJEUPCOEZMEGRU-UHFFFAOYSA-N -2 0 273.398 3.195 20 0 CGADRL Cc1ccc(S(=O)(=O)[N-]c2ccc([S-])cc2)s1 ZINC001260684185 807698951 /nfs/dbraw/zinc/69/89/51/807698951.db2.gz FMLATIVDJIIDJE-UHFFFAOYSA-N -2 0 285.415 3.146 20 0 CGADRL Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)c1 ZINC001176237612 809653463 /nfs/dbraw/zinc/65/34/63/809653463.db2.gz KRYWULFTHFVPND-UHFFFAOYSA-N -2 0 285.299 3.443 20 0 CGADRL O=C([O-])c1cc(Nc2cccnc2C2CC2)cc(C(=O)[O-])c1 ZINC001176239322 809654521 /nfs/dbraw/zinc/65/45/21/809654521.db2.gz OGLXHZUJTSRHFV-UHFFFAOYSA-N -2 0 298.298 3.099 20 0 CGADRL Cc1cc(Nc2ccc(C(=O)[O-])cc2)cc(C(=O)[O-])c1 ZINC001211545102 814905848 /nfs/dbraw/zinc/90/58/48/814905848.db2.gz UEWZCJXMMGDJTD-UHFFFAOYSA-N -2 0 271.272 3.135 20 0 CGADRL C=C(c1ccccc1)c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001242891163 823165025 /nfs/dbraw/zinc/16/50/25/823165025.db2.gz DDWKRGIZGMFCSU-UHFFFAOYSA-N -2 0 268.268 3.145 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc(F)ccc1F ZINC001239710652 820537885 /nfs/dbraw/zinc/53/78/85/820537885.db2.gz KKGGLNYTBKZFSF-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2ccc(C(F)F)cc2)cc1 ZINC001240771335 821315271 /nfs/dbraw/zinc/31/52/71/821315271.db2.gz UNRFRNSSVKOHSN-UHFFFAOYSA-N -2 0 284.198 3.094 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nccc3ccsc32)c1 ZINC001242159386 822899701 /nfs/dbraw/zinc/89/97/01/822899701.db2.gz JCANACYWUYNPNP-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL COc1cccc(C)c1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163974 822900815 /nfs/dbraw/zinc/90/08/15/822900815.db2.gz VMKPPHPWHHCZGU-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL COc1ccc(C(=O)[O-])cc1-c1ccc([S-])cc1F ZINC001242391492 822979252 /nfs/dbraw/zinc/97/92/52/822979252.db2.gz SYTMVXQCSVVNNG-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL Cc1sc(/C=C/c2ccc(C(=O)[O-])cc2)nc1C(=O)[O-] ZINC000339114124 376686509 /nfs/dbraw/zinc/68/65/09/376686509.db2.gz LSIBVWLRHCSGQA-QPJJXVBHSA-N -2 0 289.312 3.018 20 0 CGADRL Cc1coc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)c1 ZINC000568266069 322201984 /nfs/dbraw/zinc/20/19/84/322201984.db2.gz IPTRRIRONOJLIR-UHFFFAOYSA-N -2 0 286.283 3.069 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(F)c(F)c2)c1 ZINC001250565093 805696844 /nfs/dbraw/zinc/69/68/44/805696844.db2.gz ZBYCZQJEFQJEPB-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL Cc1cc(-c2cc(F)c([O-])c(Cl)c2)cnc1C(=O)[O-] ZINC001244501424 803407079 /nfs/dbraw/zinc/40/70/79/803407079.db2.gz BYROKZCREKOXOO-UHFFFAOYSA-N -2 0 281.670 3.253 20 0 CGADRL O=C([O-])c1cc(Nc2cnccc2C2CC2)cc(C(=O)[O-])c1 ZINC001176238552 809653521 /nfs/dbraw/zinc/65/35/21/809653521.db2.gz IWHMUYMUEBEHHA-UHFFFAOYSA-N -2 0 298.298 3.099 20 0 CGADRL O=C(Nc1ccccc1[S-])c1ccc(F)c(F)c1[O-] ZINC001192806594 810821129 /nfs/dbraw/zinc/82/11/29/810821129.db2.gz DQXKMOQFVBQGMJ-UHFFFAOYSA-N -2 0 281.283 3.211 20 0 CGADRL [S-]c1cc([S-])cc(-c2ccc3nonc3c2)c1 ZINC001204960316 812798030 /nfs/dbraw/zinc/79/80/30/812798030.db2.gz UFLXQWDHGPMHNP-UHFFFAOYSA-N -2 0 260.343 3.467 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cnc2sccc2c1 ZINC001242679369 823098106 /nfs/dbraw/zinc/09/81/06/823098106.db2.gz SRTJOIGPQDRTJY-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL CSc1cc(-c2ccc(P(=O)([O-])[O-])cc2)ccc1F ZINC001238964812 820171581 /nfs/dbraw/zinc/17/15/81/820171581.db2.gz FQGAGYQSLAWWRP-UHFFFAOYSA-N -2 0 298.275 3.018 20 0 CGADRL C=Cc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242160739 822899736 /nfs/dbraw/zinc/89/97/36/822899736.db2.gz IYQCRDRTPKJFFO-UHFFFAOYSA-N -2 0 268.268 3.393 20 0 CGADRL COc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)c1 ZINC001242161109 822899934 /nfs/dbraw/zinc/89/99/34/822899934.db2.gz WABILNGTFMQPCT-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc([S-])cc2)c1 ZINC001242161535 822900146 /nfs/dbraw/zinc/90/01/46/822900146.db2.gz YTRCGTKPFIKVCV-UHFFFAOYSA-N -3 0 274.297 3.039 20 0 CGADRL O=C([O-])c1ccccc1-n1[n-]c(C2CCCCC2)cc1=O ZINC001329690215 935239934 /nfs/dbraw/zinc/23/99/34/935239934.db2.gz LLPALBCOEBWBQK-UHFFFAOYSA-N -2 0 286.331 3.058 20 0 CGADRL COc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)c(O)c1 ZINC000135414093 542087711 /nfs/dbraw/zinc/08/77/11/542087711.db2.gz NDGUGTFHSSOBOR-UHFFFAOYSA-N -2 0 293.706 3.012 20 0 CGADRL COc1cc(O)cc(-c2nc3ccc(C)cc3c(=O)[nH]2)c1 ZINC000362592526 382070342 /nfs/dbraw/zinc/07/03/42/382070342.db2.gz NNZTZDUMYCUDKX-UHFFFAOYSA-N -2 0 282.299 3.025 20 0 CGADRL O=C([O-])c1cccc(-c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000065339848 304254876 /nfs/dbraw/zinc/25/48/76/304254876.db2.gz DYELXVPFZGFSMX-UHFFFAOYSA-N -2 0 276.675 3.403 20 0 CGADRL O=C([O-])c1cc(-c2ccc3oc(=S)[n-]c3c2)cnc1F ZINC001244754432 803520812 /nfs/dbraw/zinc/52/08/12/803520812.db2.gz KNOIJPOKSPXHNG-UHFFFAOYSA-N -2 0 290.275 3.016 20 0 CGADRL Cc1ccc(C(=O)[O-])cc1-n1[n-]c(C2CCCC2)cc1=O ZINC001245928647 804056188 /nfs/dbraw/zinc/05/61/88/804056188.db2.gz NFODYXADJVZKAQ-UHFFFAOYSA-N -2 0 286.331 3.242 20 0 CGADRL Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1F ZINC001176241504 809654148 /nfs/dbraw/zinc/65/41/48/809654148.db2.gz JEVZMVISGKIABX-UHFFFAOYSA-N -2 0 289.262 3.274 20 0 CGADRL Cc1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239474 809654256 /nfs/dbraw/zinc/65/42/56/809654256.db2.gz XUPZFSKEAJRLGJ-UHFFFAOYSA-N -2 0 271.272 3.135 20 0 CGADRL O=C([O-])c1ccc(Nc2cc(F)c(F)c(C(=O)[O-])c2)cc1 ZINC001215467706 815522365 /nfs/dbraw/zinc/52/23/65/815522365.db2.gz KTMFNVYJQMHNLZ-UHFFFAOYSA-N -2 0 293.225 3.105 20 0 CGADRL COc1ccc(Nc2ccccc2[S-])cc1C(=O)[O-] ZINC001209902257 814194454 /nfs/dbraw/zinc/19/44/54/814194454.db2.gz BCNUKQPDNDLFCA-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL COc1cc(Nc2ccccc2C(=O)[O-])ccc1[S-] ZINC001210969627 814696508 /nfs/dbraw/zinc/69/65/08/814696508.db2.gz UTMFJNCKFALSMV-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL COc1c(C(=O)[O-])cccc1-c1cccc([S-])c1 ZINC001242922360 823173126 /nfs/dbraw/zinc/17/31/26/823173126.db2.gz AKMCPROERYGUJU-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL Cc1ccc(F)c(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001239963121 820741616 /nfs/dbraw/zinc/74/16/16/820741616.db2.gz IWNSQSRSQMRAIE-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL COc1cc(-c2cc(F)ccc2[S-])ccc1C(=O)[O-] ZINC001240746062 821296442 /nfs/dbraw/zinc/29/64/42/821296442.db2.gz SCWRHAJZJKPTAE-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL CCc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1F ZINC001242162843 822900407 /nfs/dbraw/zinc/90/04/07/822900407.db2.gz KQAGWEDXMUDIET-UHFFFAOYSA-N -2 0 288.274 3.452 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3cnsc3c2)c1 ZINC001242163425 822900566 /nfs/dbraw/zinc/90/05/66/822900566.db2.gz XTXJGMLSRJQODL-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL Cc1cc(C(=O)[O-])ccc1-c1ccccc1C(=O)[O-] ZINC000116910472 416499059 /nfs/dbraw/zinc/49/90/59/416499059.db2.gz JUYOJAYCJUFVIV-UHFFFAOYSA-N -2 0 256.257 3.058 20 0 CGADRL CCc1ccc(C(=O)Nc2cccc(C(C)=O)c2O)c(O)c1 ZINC000564307944 322026226 /nfs/dbraw/zinc/02/62/26/322026226.db2.gz YQWROJJXQFVWBT-UHFFFAOYSA-N -2 0 299.326 3.115 20 0 CGADRL Cc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001250553652 805690039 /nfs/dbraw/zinc/69/00/39/805690039.db2.gz CHNDZWCYZZPDOF-UHFFFAOYSA-N -2 0 256.257 3.058 20 0 CGADRL [S-]c1cc([S-])cc(NC[C@@H]2CCCCO2)c1 ZINC001165242231 806979844 /nfs/dbraw/zinc/97/98/44/806979844.db2.gz WGYRYNCLXZQQAS-JTQLQIEISA-N -2 0 255.408 3.245 20 0 CGADRL [S-]c1cc([S-])cc(-c2cnc3nccnc3c2)c1 ZINC001244052621 803162739 /nfs/dbraw/zinc/16/27/39/803162739.db2.gz ZWXPYSWZSUEUKH-UHFFFAOYSA-N -2 0 271.370 3.269 20 0 CGADRL O=C([O-])c1cnc(F)c(-c2cc(F)ccc2[S-])c1 ZINC001244762803 803523335 /nfs/dbraw/zinc/52/33/35/803523335.db2.gz PTYKQMMQLQXUAF-UHFFFAOYSA-N -2 0 267.256 3.014 20 0 CGADRL Cc1cccc(C)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238133 809653342 /nfs/dbraw/zinc/65/33/42/809653342.db2.gz NCYVTTFGSGHQRU-UHFFFAOYSA-N -2 0 285.299 3.443 20 0 CGADRL CCc1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241988 809654379 /nfs/dbraw/zinc/65/43/79/809654379.db2.gz INWNHJRTCYGTDO-UHFFFAOYSA-N -2 0 285.299 3.389 20 0 CGADRL Cc1cc(-c2ccc(P(=O)([O-])[O-])cc2)cc(C)c1Cl ZINC001205059394 812843301 /nfs/dbraw/zinc/84/33/01/812843301.db2.gz VUJPPAYBSCSQIO-UHFFFAOYSA-N -2 0 296.690 3.427 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2ccc(C3CC3)cc2)cc1 ZINC001238836766 820130316 /nfs/dbraw/zinc/13/03/16/820130316.db2.gz BKDMUGQLYWHNPX-UHFFFAOYSA-N -2 0 274.256 3.034 20 0 CGADRL CSc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242161361 822899542 /nfs/dbraw/zinc/89/95/42/822899542.db2.gz UYLAFOMPXTVWEI-UHFFFAOYSA-N -2 0 288.324 3.472 20 0 CGADRL Cc1cc2c(ccnc2-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)o1 ZINC001242161124 822899611 /nfs/dbraw/zinc/89/96/11/822899611.db2.gz WURMWAQGZSQJQJ-UHFFFAOYSA-N -2 0 297.266 3.200 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nccc3ccccc32)c1 ZINC001242159858 822899961 /nfs/dbraw/zinc/89/99/61/822899961.db2.gz UJFSJYKSESKLCB-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1c([O-])cccc1F ZINC000436935471 534820529 /nfs/dbraw/zinc/82/05/29/534820529.db2.gz CFDNVFCKAJJRNG-UHFFFAOYSA-N -2 0 299.660 3.282 20 0 CGADRL COc1cc(C(=O)[O-])cc(-c2ccc([S-])cc2F)c1 ZINC001244177597 803226974 /nfs/dbraw/zinc/22/69/74/803226974.db2.gz ASICCLBLMFAORJ-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL O=C([O-])c1cc(Nc2ccc([S-])cc2)cs1 ZINC001176439073 809698376 /nfs/dbraw/zinc/69/83/76/809698376.db2.gz IVOUTKCTIHJAKG-UHFFFAOYSA-N -2 0 251.332 3.479 20 0 CGADRL O=C([O-])c1sccc1-c1nc[n-]c2nc(=S)sc1-2 ZINC001205547523 813001439 /nfs/dbraw/zinc/00/14/39/813001439.db2.gz LNVVKFROKJIRND-UHFFFAOYSA-N -2 0 295.370 3.127 20 0 CGADRL O=C([O-])Cc1ccc(F)c(Nc2ccccc2[S-])c1 ZINC001216683122 815893546 /nfs/dbraw/zinc/89/35/46/815893546.db2.gz KZDHBSMDNZEVCJ-UHFFFAOYSA-N -2 0 277.320 3.485 20 0 CGADRL COc1c(C(=O)[O-])cccc1-c1cc(F)ccc1[S-] ZINC001242924114 823173525 /nfs/dbraw/zinc/17/35/25/823173525.db2.gz MWHCMVUJENAAMC-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc(Cl)c(O)c1 ZINC001243578794 823452621 /nfs/dbraw/zinc/45/26/21/823452621.db2.gz RVYKTCXUQJSEFA-UHFFFAOYSA-N -2 0 292.674 3.109 20 0 CGADRL O=C([O-])c1ccccc1-c1cc(F)c(C(=O)[O-])c(F)c1 ZINC001239345888 820285308 /nfs/dbraw/zinc/28/53/08/820285308.db2.gz JGGGWFVIDPLBBE-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL CC(F)(F)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001243644937 823474408 /nfs/dbraw/zinc/47/44/08/823474408.db2.gz CQHSWTGWVGMBAP-UHFFFAOYSA-N -2 0 298.225 3.268 20 0 CGADRL COc1cc(C(=O)[O-])ccc1-c1ccc([S-])cc1 ZINC001240735459 821288361 /nfs/dbraw/zinc/28/83/61/821288361.db2.gz ZEVJYTDKLDIBOZ-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL COc1cc(-c2cccc([S-])c2)ccc1C(=O)[O-] ZINC001240743326 821294067 /nfs/dbraw/zinc/29/40/67/821294067.db2.gz SXNLSSZOCDIRPZ-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL CC(C)Cc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001241326706 821734312 /nfs/dbraw/zinc/73/43/12/821734312.db2.gz ZWRSAUOTKMWFTI-UHFFFAOYSA-N -2 0 290.299 3.355 20 0 CGADRL CCOc1ncc(-c2cc([S-])cc([S-])c2)cn1 ZINC001241553056 821943269 /nfs/dbraw/zinc/94/32/69/821943269.db2.gz HSIZSNCEXXRERH-UHFFFAOYSA-N -2 0 264.375 3.120 20 0 CGADRL O=C([O-])c1ccccc1C[NH2+]Cc1cccc(O)c1Cl ZINC001595254950 949582094 /nfs/dbraw/zinc/58/20/94/949582094.db2.gz AMMTXFMGIHOWCH-UHFFFAOYSA-N -2 0 291.734 3.034 20 0 CGADRL O=C([O-])c1cccc(-n2[n-]c(-c3ccsc3)cc2=O)c1 ZINC001245948477 804082611 /nfs/dbraw/zinc/08/26/11/804082611.db2.gz FJKPVLTZWWBQEY-UHFFFAOYSA-N -2 0 286.312 3.005 20 0 CGADRL COc1cc(Nc2csc(C(=O)[O-])c2)ccc1[S-] 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Cc1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1F ZINC001242239677 822922904 /nfs/dbraw/zinc/92/29/04/822922904.db2.gz LAGFCWYYHOEJNI-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])c(O)c1O ZINC000182913628 625037402 /nfs/dbraw/zinc/03/74/02/625037402.db2.gz LLJSLFOOGHZMCE-UHFFFAOYSA-N -2 0 293.706 3.018 20 0 CGADRL COc1cc(-c2cc([S-])cc([S-])c2)ccc1CO ZINC001244670656 803488056 /nfs/dbraw/zinc/48/80/56/803488056.db2.gz KCXVBUUEGCRNHG-UHFFFAOYSA-N -2 0 278.398 3.432 20 0 CGADRL O=C(Nc1c(O)cccc1Cl)c1cc(F)cc(F)c1[O-] ZINC001141469024 804643697 /nfs/dbraw/zinc/64/36/97/804643697.db2.gz GJYVBSLSLUJLEX-UHFFFAOYSA-N -2 0 299.660 3.282 20 0 CGADRL CC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176237611 809653293 /nfs/dbraw/zinc/65/32/93/809653293.db2.gz KRWZPTGFKWERGA-UHFFFAOYSA-N -2 0 299.282 3.029 20 0 CGADRL CSc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001239497263 820346666 /nfs/dbraw/zinc/34/66/66/820346666.db2.gz CMAIBTJRSKXYHJ-UHFFFAOYSA-N -2 0 288.324 3.472 20 0 CGADRL CC(C)c1ccccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001239867508 820671724 /nfs/dbraw/zinc/67/17/24/820671724.db2.gz JIDDRXXOGSABGO-UHFFFAOYSA-N -2 0 276.272 3.280 20 0 CGADRL O=C([O-])/C=C/c1ccccc1-c1ccc(C(=O)[O-])c(F)c1 ZINC001241184986 821621534 /nfs/dbraw/zinc/62/15/34/821621534.db2.gz GOMHBAIBQUSCNH-SOFGYWHQSA-N -2 0 286.258 3.289 20 0 CGADRL Cc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C ZINC001242160698 822899717 /nfs/dbraw/zinc/89/97/17/822899717.db2.gz IGOOCVDERANFTH-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL CCc1ccc(F)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163528 822900961 /nfs/dbraw/zinc/90/09/61/822900961.db2.gz ZZZYVRAJEWMQJP-UHFFFAOYSA-N -2 0 288.274 3.452 20 0 CGADRL O[C@@H](CNc1cc([S-])cc([S-])c1)c1ccco1 ZINC001162262019 806544101 /nfs/dbraw/zinc/54/41/01/806544101.db2.gz BQQWBRPGBWJSOA-NSHDSACASA-N -2 0 267.375 3.003 20 0 CGADRL Cn1cccc1CNc1cc([S-])cc([S-])c1 ZINC001162711849 806651507 /nfs/dbraw/zinc/65/15/07/806651507.db2.gz WVYNOQIPGDCHPP-UHFFFAOYSA-N -2 0 250.392 3.215 20 0 CGADRL O=C([O-])c1cccc(-n2[n-]c(-c3cccs3)cc2=O)c1 ZINC001245921214 804048436 /nfs/dbraw/zinc/04/84/36/804048436.db2.gz NQZNIJIXRMGITF-UHFFFAOYSA-N -2 0 286.312 3.005 20 0 CGADRL CC(C)c1nnc([N-]c2cc(O)c(F)c(F)c2F)o1 ZINC001249958738 805325009 /nfs/dbraw/zinc/32/50/09/805325009.db2.gz RKFPDSFYJOSKRJ-UHFFFAOYSA-N -2 0 273.214 3.060 20 0 CGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc([S-])cc1 ZINC001260068223 807696482 /nfs/dbraw/zinc/69/64/82/807696482.db2.gz MBJYVWDRENHZBG-UHFFFAOYSA-N -2 0 285.415 3.146 20 0 CGADRL CC(=O)CC(C)(C)Nc1cc([S-])cc([S-])c1 ZINC001171502736 808081248 /nfs/dbraw/zinc/08/12/48/808081248.db2.gz RQKGGDSKMSLLLP-UHFFFAOYSA-N -2 0 255.408 3.434 20 0 CGADRL O=C(Nc1ccccc1[S-])c1cc(F)c(F)c([O-])c1F ZINC001186779315 810361834 /nfs/dbraw/zinc/36/18/34/810361834.db2.gz JTRGSDFTXHQCMC-UHFFFAOYSA-N -2 0 299.273 3.351 20 0 CGADRL CC(C)(C)c1nc([N-]c2c(F)cc(C(=O)[O-])cc2F)no1 ZINC001215608851 815546787 /nfs/dbraw/zinc/54/67/87/815546787.db2.gz JSLMBVRZWOAJCD-UHFFFAOYSA-N -2 0 297.261 3.087 20 0 CGADRL COCc1cncc(-c2cc([S-])cc([S-])c2)c1 ZINC001242955852 823188248 /nfs/dbraw/zinc/18/82/48/823188248.db2.gz YUNBRYVCNONQGI-UHFFFAOYSA-N -2 0 263.387 3.472 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc2cnccc21 ZINC001240008682 820776441 /nfs/dbraw/zinc/77/64/41/820776441.db2.gz DFYKSUKZJXAVKO-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(c2)CCC3)c1 ZINC001242161653 822900106 /nfs/dbraw/zinc/90/01/06/822900106.db2.gz GIDHRAAKUGKVDQ-UHFFFAOYSA-N -2 0 282.295 3.239 20 0 CGADRL COc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1C ZINC001242161516 822900401 /nfs/dbraw/zinc/90/04/01/822900401.db2.gz BAPGGGFFUWLTNJ-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL Cc1c(F)c(F)ccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001242306227 822945845 /nfs/dbraw/zinc/94/58/45/822945845.db2.gz RZMWZXYOQAVDAB-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL O=C([O-])c1ccc(-c2ccc3[n-]c(=S)sc3c2)cn1 ZINC001242336287 822954293 /nfs/dbraw/zinc/95/42/93/822954293.db2.gz HROXLNMQTDCPGK-UHFFFAOYSA-N -2 0 288.353 3.345 20 0 CGADRL O=C([O-])c1cc(-c2ccccc2C(=O)[O-])ccc1Cl ZINC000065339847 304219807 /nfs/dbraw/zinc/21/98/07/304219807.db2.gz ZDBKWNNJFWJUFE-UHFFFAOYSA-N -2 0 276.675 3.403 20 0 CGADRL O=C([O-])c1cnc(F)c(-c2cc([S-])cc([S-])c2)c1 ZINC001244763541 803523913 /nfs/dbraw/zinc/52/39/13/803523913.db2.gz MYWWSLKANYJONF-UHFFFAOYSA-N -3 0 281.333 3.163 20 0 CGADRL Cc1cc(-c2ccccc2C(=O)[O-])cc(C)c1C(=O)[O-] ZINC001244945865 803586686 /nfs/dbraw/zinc/58/66/86/803586686.db2.gz CICYCLSBMAXGKL-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL [S-]c1cc([S-])cc(-c2cnc3c(c2)NCCO3)c1 ZINC001245550421 803808597 /nfs/dbraw/zinc/80/85/97/803808597.db2.gz QFXGCYLCLRSIJA-UHFFFAOYSA-N -2 0 276.386 3.130 20 0 CGADRL Cc1c(C)c(-c2ccc(P(=O)([O-])[O-])cc2)ccc1Cl ZINC001245689634 803911865 /nfs/dbraw/zinc/91/18/65/803911865.db2.gz ILZOGZDPZNSXBL-UHFFFAOYSA-N -2 0 296.690 3.427 20 0 CGADRL C[C@@H](Cc1cc(C(=O)[O-])cc(C(=O)[O-])c1)c1ccccc1 ZINC001250108222 805420810 /nfs/dbraw/zinc/42/08/10/805420810.db2.gz OWBWEAXEJJLDEL-NSHDSACASA-N -2 0 284.311 3.429 20 0 CGADRL O=C([O-])c1cc(Nc2ncccc2C2CC2)cc(C(=O)[O-])c1 ZINC001176238020 809653386 /nfs/dbraw/zinc/65/33/86/809653386.db2.gz LNABNSIQVBUGPD-UHFFFAOYSA-N -2 0 298.298 3.099 20 0 CGADRL CC(C)c1nnc([N-]c2ccc(Cl)c(C(=O)[O-])c2F)o1 ZINC001215694705 815559764 /nfs/dbraw/zinc/55/97/64/815559764.db2.gz HWUYKKROSSCODE-UHFFFAOYSA-N -2 0 299.689 3.427 20 0 CGADRL COc1ccc(-c2cc([S-])cc([S-])c2)c(CO)c1 ZINC001243251331 823315567 /nfs/dbraw/zinc/31/55/67/823315567.db2.gz ROJPYFAFPFWXKZ-UHFFFAOYSA-N -2 0 278.398 3.432 20 0 CGADRL COc1ncc(-c2cc([S-])cc([S-])c2)s1 ZINC001241415006 821810538 /nfs/dbraw/zinc/81/05/38/821810538.db2.gz PPZYSFDPKDZMIP-UHFFFAOYSA-N -2 0 255.389 3.396 20 0 CGADRL C=Cc1ccccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001242007286 822271417 /nfs/dbraw/zinc/27/14/17/822271417.db2.gz TVXWMUXNKMHAAC-UHFFFAOYSA-N -2 0 268.268 3.393 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2c(F)cccc2F)c1 ZINC001242160202 822899631 /nfs/dbraw/zinc/89/96/31/822899631.db2.gz GBHNWHQOVHRHPV-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1C1=CCC(F)(F)CC1 ZINC001242233156 822919975 /nfs/dbraw/zinc/91/99/75/822919975.db2.gz KHEJZIBAFMDAFO-UHFFFAOYSA-N -2 0 282.242 3.286 20 0 CGADRL COc1cc(C(=O)[O-])cc(-c2cc(F)ccc2[S-])c1 ZINC001244177199 803226762 /nfs/dbraw/zinc/22/67/62/803226762.db2.gz YZYNZZQJPGPKNG-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL CC(C)c1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1N ZINC001244320423 803300375 /nfs/dbraw/zinc/30/03/75/803300375.db2.gz JQMQJWUYQOYPEE-UHFFFAOYSA-N -2 0 299.326 3.456 20 0 CGADRL CCC(CC)Cc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001249928545 805309544 /nfs/dbraw/zinc/30/95/44/805309544.db2.gz NFHGEHHCHVEOIK-UHFFFAOYSA-N -2 0 250.294 3.062 20 0 CGADRL O=C([O-])c1cc(Nc2ccc(F)cc2F)cc(C(=O)[O-])c1 ZINC001176239397 809654224 /nfs/dbraw/zinc/65/42/24/809654224.db2.gz WGOXQGLONXJCFX-UHFFFAOYSA-N -2 0 293.225 3.105 20 0 CGADRL O=C([O-])c1cc(Nc2ccc3c(c2)N=NC3)cc(C(=O)[O-])c1 ZINC001176243830 809654292 /nfs/dbraw/zinc/65/42/92/809654292.db2.gz LTQUYKQSIUOZBH-UHFFFAOYSA-N -2 0 297.270 3.424 20 0 CGADRL O=C(Nc1c(Cl)ccc([O-])c1Cl)c1ccncc1[O-] ZINC001188636061 810497613 /nfs/dbraw/zinc/49/76/13/810497613.db2.gz DTIVOQWACKNDMJ-UHFFFAOYSA-N -2 0 299.113 3.052 20 0 CGADRL CC(C)n1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001239066887 820212101 /nfs/dbraw/zinc/21/21/01/820212101.db2.gz FYKRIZCARPAQEU-UHFFFAOYSA-N -2 0 273.288 3.132 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccccc2[S-])c1 ZINC001242161452 822899929 /nfs/dbraw/zinc/89/99/29/822899929.db2.gz WMHKZNMICVNUHX-UHFFFAOYSA-N -3 0 274.297 3.039 20 0 CGADRL O=C(Nc1ccc(F)c(F)c1[O-])c1ccc(Cl)c([O-])c1 ZINC001556934911 938206632 /nfs/dbraw/zinc/20/66/32/938206632.db2.gz DGZVVMADPQICAV-UHFFFAOYSA-N -2 0 299.660 3.282 20 0 CGADRL O=C(Nc1cccc(Cl)c1[O-])c1c([O-])cc(F)cc1F ZINC000077013107 345556732 /nfs/dbraw/zinc/55/67/32/345556732.db2.gz AGKHUFGQSKJISM-UHFFFAOYSA-N -2 0 299.660 3.282 20 0 CGADRL Cc1c(Cl)cccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001244964170 803594993 /nfs/dbraw/zinc/59/49/93/803594993.db2.gz CGABFNGLDTYKRY-UHFFFAOYSA-N -2 0 282.663 3.118 20 0 CGADRL O=C([O-])c1cc(CCc2ccc(F)cc2)cc(C(=O)[O-])c1 ZINC001250325795 805568913 /nfs/dbraw/zinc/56/89/13/805568913.db2.gz KRUKVTGUXBECPR-UHFFFAOYSA-N -2 0 288.274 3.007 20 0 CGADRL COc1cc(C(=O)[O-])ccc1Nc1ccc([S-])cc1 ZINC001174677213 809127167 /nfs/dbraw/zinc/12/71/67/809127167.db2.gz GTQWDPMXCGRJBI-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL Cn1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c2ccccc21 ZINC001239531518 820383291 /nfs/dbraw/zinc/38/32/91/820383291.db2.gz SVXLWSVITOGJED-UHFFFAOYSA-N -2 0 295.294 3.242 20 0 CGADRL O=C([O-])Cc1ccc(-c2cc(F)ccc2[S-])cc1 ZINC001240976773 821460532 /nfs/dbraw/zinc/46/05/32/821460532.db2.gz XCXNGOWIUGFFDW-UHFFFAOYSA-N -2 0 262.305 3.409 20 0 CGADRL O=C([O-])c1cncc(-c2ccc3[n-]c(=S)sc3c2)c1 ZINC001241803073 822151297 /nfs/dbraw/zinc/15/12/97/822151297.db2.gz MZXJNFYIPRSJMF-UHFFFAOYSA-N -2 0 288.353 3.345 20 0 CGADRL COc1ccc(-c2ccccc2/C=C/C(=O)[O-])cc1C(=O)[O-] ZINC001241874290 822190444 /nfs/dbraw/zinc/19/04/44/822190444.db2.gz BUZHXAYUNZSOKA-VQHVLOKHSA-N -2 0 298.294 3.158 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(F)cc3cc[nH]c32)c1 ZINC001242160976 822899651 /nfs/dbraw/zinc/89/96/51/822899651.db2.gz MWEKDJJVLVFOJK-UHFFFAOYSA-N -2 0 299.257 3.370 20 0 CGADRL Cc1cc(N(C)C)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163222 822900160 /nfs/dbraw/zinc/90/01/60/822900160.db2.gz RDCQMCJFRVPRGM-UHFFFAOYSA-N -2 0 299.326 3.124 20 0 CGADRL CC(C)(C)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccn1 ZINC001242163010 822900312 /nfs/dbraw/zinc/90/03/12/822900312.db2.gz OHPMCZLFMROZGD-UHFFFAOYSA-N -2 0 299.326 3.443 20 0 CGADRL O=C([O-])/C=C/c1ccccc1-c1cccc(C(=O)[O-])c1F ZINC001242380901 822974727 /nfs/dbraw/zinc/97/47/27/822974727.db2.gz XUEYWBKWZOUZDM-CMDGGOBGSA-N -2 0 286.258 3.289 20 0 CGADRL CCCCc1[n-]n(-c2ccc(C(=O)[O-])c(F)c2)c(=O)c1C ZINC000634630766 351553248 /nfs/dbraw/zinc/55/32/48/351553248.db2.gz DGQVPGSOARCPMI-VIFPVBQESA-N -2 0 292.310 3.053 20 0 CGADRL O=C([O-])c1csc(NC(=O)c2c([O-])cccc2Cl)c1 ZINC000833342697 604707224 /nfs/dbraw/zinc/70/72/24/604707224.db2.gz OOJREDWFVZNIPO-UHFFFAOYSA-N -2 0 297.719 3.058 20 0 CGADRL CC(C)(C)c1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccn1 ZINC001244020201 803143886 /nfs/dbraw/zinc/14/38/86/803143886.db2.gz AHWSZNVOBOFULE-UHFFFAOYSA-N -2 0 299.326 3.443 20 0 CGADRL O=C([O-])c1cc(-c2ccc([S-])c(F)c2)cnc1F ZINC001244754908 803520877 /nfs/dbraw/zinc/52/08/77/803520877.db2.gz DKFLMOZNLMRTCY-UHFFFAOYSA-N -2 0 267.256 3.014 20 0 CGADRL CC(C)CS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1[O-] ZINC001259884562 807691656 /nfs/dbraw/zinc/69/16/56/807691656.db2.gz GEYDQEAJCOMJKI-UHFFFAOYSA-N -2 0 298.191 3.097 20 0 CGADRL Cc1ccc(F)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236798 809653370 /nfs/dbraw/zinc/65/33/70/809653370.db2.gz DVCQPRVMDPALEJ-UHFFFAOYSA-N -2 0 289.262 3.274 20 0 CGADRL Cc1cc(F)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238735 809654398 /nfs/dbraw/zinc/65/43/98/809654398.db2.gz UDHQVFZTIKZMAE-UHFFFAOYSA-N -2 0 289.262 3.274 20 0 CGADRL COc1cc(Nc2ccc(C(=O)[O-])cc2)ccc1[S-] ZINC001176713793 809747496 /nfs/dbraw/zinc/74/74/96/809747496.db2.gz QHVBYVQCBMILMP-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL [S-]c1cc([S-])cc(-c2cnc(N3CCCC3)nc2)c1 ZINC001243317105 823343108 /nfs/dbraw/zinc/34/31/08/823343108.db2.gz QLEMIQDECJIVBM-UHFFFAOYSA-N -2 0 289.429 3.321 20 0 CGADRL CCOc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001239563552 820415622 /nfs/dbraw/zinc/41/56/22/820415622.db2.gz JDGVPISVNNLOBA-UHFFFAOYSA-N -2 0 286.283 3.149 20 0 CGADRL CC(C)(C)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001239607262 820452867 /nfs/dbraw/zinc/45/28/67/820452867.db2.gz WNNJWJJVNSILQU-UHFFFAOYSA-N -2 0 290.299 3.454 20 0 CGADRL CC(C)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001239626977 820473406 /nfs/dbraw/zinc/47/34/06/820473406.db2.gz WXSYKPXHYWZWFR-UHFFFAOYSA-N -2 0 276.272 3.280 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(F)c(F)cc2F)c1 ZINC001242160683 822899673 /nfs/dbraw/zinc/89/96/73/822899673.db2.gz HWZLMKKWIOECNQ-UHFFFAOYSA-N -2 0 296.200 3.167 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3ccccc3n2)c1 ZINC001242159284 822899920 /nfs/dbraw/zinc/89/99/20/822899920.db2.gz HFYAMXLASNJHMW-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL Cc1c(F)cc(C(=O)[O-])cc1-c1ccccc1C(=O)[O-] ZINC001242208868 822910715 /nfs/dbraw/zinc/91/07/15/822910715.db2.gz KHQFQLFCBPCBAF-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc(Cl)c1O ZINC001242365641 822968812 /nfs/dbraw/zinc/96/88/12/822968812.db2.gz QCTGXDYRDMDMLV-UHFFFAOYSA-N -2 0 292.674 3.109 20 0 CGADRL CCCS(=O)(=O)[N-]c1cc(Cl)c(C)c(Cl)c1[O-] ZINC001253705623 806280763 /nfs/dbraw/zinc/28/07/63/806280763.db2.gz YTYVCDQWEWGAGK-UHFFFAOYSA-N -2 0 298.191 3.159 20 0 CGADRL [S-]c1cc([S-])cc(NCc2ccc3nonc3c2)c1 ZINC001164349101 806937099 /nfs/dbraw/zinc/93/70/99/806937099.db2.gz AMAMVYJWQFHRCW-UHFFFAOYSA-N -2 0 289.385 3.412 20 0 CGADRL O=C([O-])Cc1ccc(F)c(-c2cccc([S-])c2)c1 ZINC001245316287 803698495 /nfs/dbraw/zinc/69/84/95/803698495.db2.gz KQVUFCXFFRHSOT-UHFFFAOYSA-N -2 0 262.305 3.409 20 0 CGADRL Cc1cc(-c2ccc(C(=O)[O-])cc2Cl)cnc1C(=O)[O-] ZINC001245374705 803718799 /nfs/dbraw/zinc/71/87/99/803718799.db2.gz YZRVJSPQOQNUIZ-UHFFFAOYSA-N -2 0 291.690 3.107 20 0 CGADRL O=C([O-])c1ccc(Nc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC001248557946 804953221 /nfs/dbraw/zinc/95/32/21/804953221.db2.gz ZFGUAJXNIRJNEG-UHFFFAOYSA-N -2 0 291.690 3.480 20 0 CGADRL O=S(=O)([N-]c1cc(Cl)ccc1[S-])c1ccoc1 ZINC001188606584 810492840 /nfs/dbraw/zinc/49/28/40/810492840.db2.gz GWSMZSSOBKWOHU-UHFFFAOYSA-N -2 0 289.765 3.023 20 0 CGADRL O=C([O-])c1cc(-c2ccccc2C(=O)[O-])cc(F)c1F ZINC001206031695 813172481 /nfs/dbraw/zinc/17/24/81/813172481.db2.gz SCFJEOPJTKVKAG-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL [O-]c1cc(F)c(-c2nc[n-]c3nc(=S)sc2-3)cc1F ZINC001206767759 813430910 /nfs/dbraw/zinc/43/09/10/813430910.db2.gz JKVUBWWXQQGMOK-UHFFFAOYSA-N -2 0 297.311 3.026 20 0 CGADRL Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(C(=O)[O-])cc1 ZINC001210007479 814240857 /nfs/dbraw/zinc/24/08/57/814240857.db2.gz PNTHVQICRQBWOQ-UHFFFAOYSA-N -2 0 289.262 3.274 20 0 CGADRL COc1cc(C)ccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001242980304 823197697 /nfs/dbraw/zinc/19/76/97/823197697.db2.gz ZMMXITFOTQIJTP-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL NC(=O)c1ccc(-c2cc([S-])cc([S-])c2)cc1 ZINC001239872520 820674949 /nfs/dbraw/zinc/67/49/49/820674949.db2.gz VMIURYVAASWTGT-UHFFFAOYSA-N -2 0 261.371 3.030 20 0 CGADRL Cc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(C)s1 ZINC001240430207 821049526 /nfs/dbraw/zinc/04/95/26/821049526.db2.gz ISQDOKXBMQSISS-UHFFFAOYSA-N -2 0 276.313 3.428 20 0 CGADRL COc1cc(C(=O)[O-])ccc1-c1ccccc1[S-] ZINC001240734786 821287880 /nfs/dbraw/zinc/28/78/80/821287880.db2.gz IBNGLDHUACXLOS-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc(F)cc(F)c1F ZINC001241094541 821555181 /nfs/dbraw/zinc/55/51/81/821555181.db2.gz CEGUKIWFZFBMCX-UHFFFAOYSA-N -2 0 296.200 3.167 20 0 CGADRL CSc1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001241314306 821724567 /nfs/dbraw/zinc/72/45/67/821724567.db2.gz GVKQNDXIVKYCBV-UHFFFAOYSA-N -2 0 288.324 3.472 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(F)c3cc[nH]c32)c1 ZINC001242161286 822899773 /nfs/dbraw/zinc/89/97/73/822899773.db2.gz SOYMVGJDRWUORF-UHFFFAOYSA-N -2 0 299.257 3.370 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cncc(C2CC2)c1 ZINC001242196570 822907021 /nfs/dbraw/zinc/90/70/21/822907021.db2.gz XLSCXJFJASWYIG-UHFFFAOYSA-N -2 0 283.283 3.022 20 0 CGADRL O[C@H](CNc1cc([S-])cc([S-])c1)c1ccco1 ZINC001162262017 806544537 /nfs/dbraw/zinc/54/45/37/806544537.db2.gz BQQWBRPGBWJSOA-LLVKDONJSA-N -2 0 267.375 3.003 20 0 CGADRL Nc1ncc2cc(-c3cc([S-])cc([S-])c3)ccc2n1 ZINC001243995527 803128644 /nfs/dbraw/zinc/12/86/44/803128644.db2.gz GGRUMDMHHMJGDJ-UHFFFAOYSA-N -2 0 285.397 3.456 20 0 CGADRL CSc1ccccc1[N-]C(=S)N[C@H]1[CH]CC=C1 ZINC001249715940 805222200 /nfs/dbraw/zinc/22/22/00/805222200.db2.gz ABOALERZRBIAOG-SNVBAGLBSA-N -2 0 263.411 3.228 20 0 CGADRL COC(=O)C1(Nc2cc([S-])cc([S-])c2)CCCC1 ZINC001167715363 807233601 /nfs/dbraw/zinc/23/36/01/807233601.db2.gz CYVMDBZCANZELB-UHFFFAOYSA-N -2 0 283.418 3.162 20 0 CGADRL Cc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)cnc1C(=O)[O-] ZINC001241350831 821752968 /nfs/dbraw/zinc/75/29/68/821752968.db2.gz UXDYSHYFLJXPMB-UHFFFAOYSA-N -2 0 291.690 3.107 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2c(c1)CCCN2 ZINC001241834656 822170302 /nfs/dbraw/zinc/17/03/02/822170302.db2.gz GHUYNTYKLMIYPD-UHFFFAOYSA-N -2 0 297.310 3.108 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3ncccc32)c1 ZINC001242161556 822900162 /nfs/dbraw/zinc/90/01/62/822900162.db2.gz BLFUVKBTPLDFTC-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL Cc1c(F)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1F ZINC001242161699 822900306 /nfs/dbraw/zinc/90/03/06/822900306.db2.gz IQJSKUNAQDRHRJ-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL Cc1noc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc12 ZINC001242162552 822900338 /nfs/dbraw/zinc/90/03/38/822900338.db2.gz GHQXIRWKKVFZID-UHFFFAOYSA-N -2 0 297.266 3.200 20 0 CGADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1N(C)C ZINC001242162716 822900445 /nfs/dbraw/zinc/90/04/45/822900445.db2.gz JYBKLUXATZTACB-UHFFFAOYSA-N -2 0 299.326 3.124 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cnc3sccc3c2)c1 ZINC001242163669 822900686 /nfs/dbraw/zinc/90/06/86/822900686.db2.gz FUHCSJQZFFQQGY-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL Cc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1N(C)C ZINC001242240956 822923445 /nfs/dbraw/zinc/92/34/45/822923445.db2.gz AQEZFFFKHJDYPM-UHFFFAOYSA-N -2 0 299.326 3.124 20 0 CGADRL Cc1ccc2c(c1)nc(=O)[n-]c2O[C@@H](C)C1=CC=C[CH]1 ZINC001230888066 932636223 /nfs/dbraw/zinc/63/62/23/932636223.db2.gz JIWGSSOSWLFUJI-NSHDSACASA-N -2 0 267.308 3.112 20 0 CGADRL [S-]c1cc([S-])cc(NC2(c3cccnn3)CC2)c1 ZINC001168515917 807440744 /nfs/dbraw/zinc/44/07/44/807440744.db2.gz PSWKIPBNAPSANY-UHFFFAOYSA-N -2 0 275.402 3.155 20 0 CGADRL C=Cc1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001241955969 822245873 /nfs/dbraw/zinc/24/58/73/822245873.db2.gz AVZPBELYRBAWNP-UHFFFAOYSA-N -2 0 268.268 3.393 20 0 CGADRL CCOc1ccccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160853 822899896 /nfs/dbraw/zinc/89/98/96/822899896.db2.gz SNQOSGLTOFCSSD-UHFFFAOYSA-N -2 0 286.283 3.149 20 0 CGADRL CC(C)(C)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242162718 822900415 /nfs/dbraw/zinc/90/04/15/822900415.db2.gz KBIQTRLAAXLTKB-UHFFFAOYSA-N -2 0 299.326 3.443 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cncc(C3CC3)c2)c1 ZINC001242163241 822900457 /nfs/dbraw/zinc/90/04/57/822900457.db2.gz RRNMIZAYOFFZCP-UHFFFAOYSA-N -2 0 283.283 3.022 20 0 CGADRL Cn1ccc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc21 ZINC001242162306 822900460 /nfs/dbraw/zinc/90/04/60/822900460.db2.gz SZRSPOGYPSNIGS-UHFFFAOYSA-N -2 0 295.294 3.242 20 0 CGADRL Cc1sc(/C=C\c2cc(C(=O)[O-])cs2)nc1C(=O)[O-] ZINC000352035315 302879033 /nfs/dbraw/zinc/87/90/33/302879033.db2.gz PDDREZWXEZMGCT-IHWYPQMZSA-N -2 0 295.341 3.080 20 0 CGADRL CCOc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001250558087 805693413 /nfs/dbraw/zinc/69/34/13/805693413.db2.gz MFIMQAULNLFONB-UHFFFAOYSA-N -2 0 286.283 3.149 20 0 CGADRL Cc1oncc1CNc1cc([S-])cc([S-])c1 ZINC001162274805 806547128 /nfs/dbraw/zinc/54/71/28/806547128.db2.gz JFJJYVXXDZOZLH-UHFFFAOYSA-N -2 0 252.364 3.173 20 0 CGADRL COC(=O)[C@@H](Nc1cc([S-])cc([S-])c1)C(C)(C)C ZINC001163509095 806772908 /nfs/dbraw/zinc/77/29/08/806772908.db2.gz LFLIRZHVXZLUSD-LLVKDONJSA-N -2 0 285.434 3.264 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc(O)cc1Cl ZINC001245080806 803635347 /nfs/dbraw/zinc/63/53/47/803635347.db2.gz ZKCCIWKIOJRKBK-UHFFFAOYSA-N -2 0 292.674 3.109 20 0 CGADRL O=C([O-])c1ccc(Nc2cc(Cl)cc(C(=O)[O-])c2)cc1 ZINC001211966873 814962802 /nfs/dbraw/zinc/96/28/02/814962802.db2.gz PVHOMTHMKVOKCK-UHFFFAOYSA-N -2 0 291.690 3.480 20 0 CGADRL O=C1Cc2ccc(-c3cc([S-])cc([S-])c3)cc2N1 ZINC001245892400 804019702 /nfs/dbraw/zinc/01/97/02/804019702.db2.gz SHCWOAWXBMZAJI-UHFFFAOYSA-N -2 0 273.382 3.426 20 0 CGADRL O=C([O-])c1cc(Nc2cncc(C3CC3)c2)cc(C(=O)[O-])c1 ZINC001176238616 809653222 /nfs/dbraw/zinc/65/32/22/809653222.db2.gz RPGINSCOUSJFFR-UHFFFAOYSA-N -2 0 298.298 3.099 20 0 CGADRL O=C([O-])Cc1cccc(Nc2ccc([S-])cc2)c1 ZINC001210072094 814274269 /nfs/dbraw/zinc/27/42/69/814274269.db2.gz TXVSHXIKADYIIJ-UHFFFAOYSA-N -2 0 259.330 3.346 20 0 CGADRL O=C([O-])/C=C/c1ccccc1-c1ccc(C(=O)[O-])cc1F ZINC001239261301 820244236 /nfs/dbraw/zinc/24/42/36/820244236.db2.gz CSMNCKYSJZIDTC-SOFGYWHQSA-N -2 0 286.258 3.289 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2ccncc2c1 ZINC001241676698 822060292 /nfs/dbraw/zinc/06/02/92/822060292.db2.gz WRCRAZHLDCVWAV-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(CF)cc2)c1 ZINC001242161057 822899698 /nfs/dbraw/zinc/89/96/98/822899698.db2.gz PDRPMUYZXZKLKA-UHFFFAOYSA-N -2 0 274.247 3.220 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(c2)C=CC3)c1 ZINC001242162938 822900323 /nfs/dbraw/zinc/90/03/23/822900323.db2.gz NHFVOFKOGXRMDF-UHFFFAOYSA-N -2 0 280.279 3.319 20 0 CGADRL C=Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242162554 822900426 /nfs/dbraw/zinc/90/04/26/822900426.db2.gz XJCVHIKAUXVEJB-UHFFFAOYSA-N -2 0 268.268 3.393 20 0 CGADRL [O-]c1c(F)cc(-c2nc[n-]c3nc(=S)sc2-3)cc1F ZINC001244092386 803180685 /nfs/dbraw/zinc/18/06/85/803180685.db2.gz UGIPCUKPCZQIEU-UHFFFAOYSA-N -2 0 297.311 3.026 20 0 CGADRL Cc1cc(-c2ccc(Cl)c([O-])c2F)cnc1C(=O)[O-] ZINC001244634405 803476650 /nfs/dbraw/zinc/47/66/50/803476650.db2.gz ZQSVPYVASNPXJX-UHFFFAOYSA-N -2 0 281.670 3.253 20 0 CGADRL CC1(C)C[C@H](CNc2cc([S-])cc([S-])c2)O1 ZINC001168460299 807423885 /nfs/dbraw/zinc/42/38/85/807423885.db2.gz KQZVKRYWFIPKLS-SECBINFHSA-N -2 0 255.408 3.243 20 0 CGADRL COc1cc(Nc2ccc([S-])cc2)ccc1C(=O)[O-] ZINC001174685643 809130006 /nfs/dbraw/zinc/13/00/06/809130006.db2.gz XTOSJCOJGHLGQK-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL O=C(Nc1ccc(F)c(F)c1[O-])c1ccc([O-])c(Cl)c1 ZINC001299041063 809542621 /nfs/dbraw/zinc/54/26/21/809542621.db2.gz PGQFVFPAUGCVRG-UHFFFAOYSA-N -2 0 299.660 3.282 20 0 CGADRL O=C([O-])c1sccc1Nc1ccc([S-])cc1 ZINC001215394392 815515599 /nfs/dbraw/zinc/51/55/99/815515599.db2.gz YSAZFJJCPNXVTE-UHFFFAOYSA-N -2 0 251.332 3.479 20 0 CGADRL COc1cc(C(=O)[O-])ccc1-c1cccc([S-])c1 ZINC001240734763 821287721 /nfs/dbraw/zinc/28/77/21/821287721.db2.gz GXGFKAFOBVCOID-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL COc1ccc(-c2ccccc2[S-])cc1C(=O)[O-] ZINC001241868580 822187013 /nfs/dbraw/zinc/18/70/13/822187013.db2.gz HMUKPVBIRQZNFR-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL COc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C ZINC001242162231 822900103 /nfs/dbraw/zinc/90/01/03/822900103.db2.gz RFBBRPXNRZBWIK-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000623050031 349755730 /nfs/dbraw/zinc/75/57/30/349755730.db2.gz WFICWFNHRAYALQ-UHFFFAOYSA-N -2 0 256.257 3.058 20 0 CGADRL Cc1sc(/C=C\c2ccc(C(=O)[O-])cc2)nc1C(=O)[O-] ZINC000339114123 302878963 /nfs/dbraw/zinc/87/89/63/302878963.db2.gz LSIBVWLRHCSGQA-DAXSKMNVSA-N -2 0 289.312 3.018 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(F)ccc2F)c1 ZINC001250574036 805702787 /nfs/dbraw/zinc/70/27/87/805702787.db2.gz OPFHCWZDXBJJOF-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL [S-]c1cc([S-])cc(NCCC2CCOCC2)c1 ZINC001162222719 806532430 /nfs/dbraw/zinc/53/24/30/806532430.db2.gz MNKUYJAJNRVTSG-UHFFFAOYSA-N -2 0 269.435 3.493 20 0 CGADRL O=C([O-])c1cnc(F)c(-c2ccc3oc(=S)[n-]c3c2)c1 ZINC001244760856 803522629 /nfs/dbraw/zinc/52/26/29/803522629.db2.gz DBGNKNHGSRARNS-UHFFFAOYSA-N -2 0 290.275 3.016 20 0 CGADRL O=C([O-])c1cccc(-n2[n-]c(C3CCCCC3)cc2=O)c1 ZINC001245937421 804066927 /nfs/dbraw/zinc/06/69/27/804066927.db2.gz WSSLOMMVPYZCRN-UHFFFAOYSA-N -2 0 286.331 3.324 20 0 CGADRL O=C([O-])c1ccc(Nc2ccc(C(=O)[O-])c(F)c2F)cc1 ZINC001212514462 815045924 /nfs/dbraw/zinc/04/59/24/815045924.db2.gz UKQCTYFLGFBNJA-UHFFFAOYSA-N -2 0 293.225 3.105 20 0 CGADRL COc1cccnc1CNc1cc([S-])cc([S-])c1 ZINC001169211156 807603505 /nfs/dbraw/zinc/60/35/05/807603505.db2.gz VAWXAPKGGCWMPR-UHFFFAOYSA-N -2 0 278.402 3.280 20 0 CGADRL Cc1ccc(F)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176241915 809654298 /nfs/dbraw/zinc/65/42/98/809654298.db2.gz DUVGCILSUKINPD-UHFFFAOYSA-N -2 0 289.262 3.274 20 0 CGADRL O=C(Nc1ccccc1[S-])c1c([O-])ccc(F)c1F ZINC001192765233 810819208 /nfs/dbraw/zinc/81/92/08/810819208.db2.gz VRUPLSIGZCPSLB-UHFFFAOYSA-N -2 0 281.283 3.211 20 0 CGADRL COc1cc(Nc2ccsc2C(=O)[O-])ccc1[S-] ZINC001215397644 815516761 /nfs/dbraw/zinc/51/67/61/815516761.db2.gz JPBODDSQHLAUJL-UHFFFAOYSA-N -2 0 281.358 3.487 20 0 CGADRL Cc1ccc(Nc2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC001211603637 814915810 /nfs/dbraw/zinc/91/58/10/814915810.db2.gz AVYJOEJNVZMRJJ-UHFFFAOYSA-N -2 0 271.272 3.135 20 0 CGADRL Cc1cc(Nc2ccc(C(=O)[O-])cc2)cc(C)c1C(=O)[O-] ZINC001216311544 815775804 /nfs/dbraw/zinc/77/58/04/815775804.db2.gz KKBWLUBYPNDQQU-UHFFFAOYSA-N -2 0 285.299 3.443 20 0 CGADRL Cc1ccc2nc(=O)[n-]c(O[C@H](C)C3=CC=C[CH]3)c2c1 ZINC001227351211 817630484 /nfs/dbraw/zinc/63/04/84/817630484.db2.gz PLFNZPCKUZFVAH-LLVKDONJSA-N -2 0 267.308 3.112 20 0 CGADRL Cc1cc(C(=O)[O-])cc(-c2ccccc2C(=O)[O-])c1 ZINC001243179181 823275434 /nfs/dbraw/zinc/27/54/34/823275434.db2.gz KPKIFXIBAPYNHX-UHFFFAOYSA-N -2 0 256.257 3.058 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc(F)c(F)c1 ZINC001239584597 820433640 /nfs/dbraw/zinc/43/36/40/820433640.db2.gz XKWQHOPKDLOOGC-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2c(c1)CCCO2 ZINC001240774378 821318736 /nfs/dbraw/zinc/31/87/36/821318736.db2.gz BXZOMVKYILGPKW-UHFFFAOYSA-N -2 0 298.294 3.075 20 0 CGADRL COc1ccc(C)c(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001241673465 822056787 /nfs/dbraw/zinc/05/67/87/822056787.db2.gz KMBOEIHYTDXIPX-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL [S-]c1cc([S-])cc(-c2ccc3n[nH]nc3c2)c1 ZINC001241942525 822236422 /nfs/dbraw/zinc/23/64/22/822236422.db2.gz PACPIDNBHMGMBT-UHFFFAOYSA-N -2 0 259.359 3.202 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1/C=C/Cc1ccccc1 ZINC001242141490 822891433 /nfs/dbraw/zinc/89/14/33/822891433.db2.gz ZRVSGVDFLCKSRF-RUDMXATFSA-N -2 0 282.295 3.339 20 0 CGADRL CC(C)(C)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242163323 822900192 /nfs/dbraw/zinc/90/01/92/822900192.db2.gz UTOLCYNNBZMGGM-UHFFFAOYSA-N -2 0 299.326 3.443 20 0 CGADRL Cc1cc(C)c(C(=O)[O-])cc1/C=C/c1cc(C(=O)[O-])ccn1 ZINC000559938401 377109746 /nfs/dbraw/zinc/10/97/46/377109746.db2.gz CNRNJANUZTVTPD-ONEGZZNKSA-N -2 0 297.310 3.265 20 0 CGADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc(F)cc1[O-] ZINC000805258993 627126628 /nfs/dbraw/zinc/12/66/28/627126628.db2.gz NOHCRNWXUHXOJV-UHFFFAOYSA-N -2 0 299.660 3.282 20 0 CGADRL CC(C)(C)C(=O)CNc1cc([S-])cc([S-])c1 ZINC001164004845 806872628 /nfs/dbraw/zinc/87/26/28/806872628.db2.gz HVDJGMFOHBLHGB-UHFFFAOYSA-N -2 0 255.408 3.291 20 0 CGADRL O=C([O-])/C=C/c1ccccc1-c1ccc(CCC(=O)[O-])cc1 ZINC001244191152 803235321 /nfs/dbraw/zinc/23/53/21/803235321.db2.gz MUCXPSNYLYCDEB-ZRDIBKRKSA-N -2 0 296.322 3.469 20 0 CGADRL O=C([O-])c1cc(Nc2ccc3c(c2)CCC3)cc(C(=O)[O-])c1 ZINC001176237500 809653441 /nfs/dbraw/zinc/65/34/41/809653441.db2.gz IHLHYMIJJVVTBM-UHFFFAOYSA-N -2 0 297.310 3.315 20 0 CGADRL Cc1csc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176239865 809654345 /nfs/dbraw/zinc/65/43/45/809654345.db2.gz SMQZAZUUKNWAAP-UHFFFAOYSA-N -2 0 277.301 3.197 20 0 CGADRL Cc1cccc(S(=O)(=O)[N-]c2ccccc2[S-])c1F ZINC001200782868 811742964 /nfs/dbraw/zinc/74/29/64/811742964.db2.gz QJXODYGZGSHIAA-UHFFFAOYSA-N -2 0 297.376 3.224 20 0 CGADRL COc1ccc(Nc2ccc([S-])cc2)cc1C(=O)[O-] ZINC001209902535 814194377 /nfs/dbraw/zinc/19/43/77/814194377.db2.gz CUXCBDRDFNXXLQ-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL COc1cc(C(N)=O)ccc1-c1cc([S-])cc([S-])c1 ZINC001222577424 816471269 /nfs/dbraw/zinc/47/12/69/816471269.db2.gz NWIFFEJGMWRHLV-UHFFFAOYSA-N -2 0 291.397 3.039 20 0 CGADRL CSc1cc(C)ccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001243395112 823389419 /nfs/dbraw/zinc/38/94/19/823389419.db2.gz ZVQCXBRGVUHAMI-UHFFFAOYSA-N -2 0 294.312 3.187 20 0 CGADRL Cc1cc(C)cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001239523780 820371515 /nfs/dbraw/zinc/37/15/15/820371515.db2.gz KNGLJGARPIJAGZ-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL NC(=O)c1cccc(-c2cc([S-])cc([S-])c2)c1 ZINC001239885886 820682902 /nfs/dbraw/zinc/68/29/02/820682902.db2.gz SFMMMDKVFKROAF-UHFFFAOYSA-N -2 0 261.371 3.030 20 0 CGADRL COc1cc(-c2ccc([S-])cc2)ccc1C(=O)[O-] ZINC001240742421 821293296 /nfs/dbraw/zinc/29/32/96/821293296.db2.gz CPXCHELDWGKTKD-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL O=C([O-])Cc1ccc(-c2ccc([S-])c(F)c2)cc1 ZINC001240975867 821459560 /nfs/dbraw/zinc/45/95/60/821459560.db2.gz BESLJOMVYNFDEO-UHFFFAOYSA-N -2 0 262.305 3.409 20 0 CGADRL Cc1c(C(=O)[O-])cccc1-c1ccccc1C(=O)[O-] ZINC001245299135 803694523 /nfs/dbraw/zinc/69/45/23/803694523.db2.gz AOVAAEBJMMXRJX-UHFFFAOYSA-N -2 0 256.257 3.058 20 0 CGADRL Cc1ccccc1-c1cc(=O)n(-c2ccccc2C(=O)[O-])[n-]1 ZINC001245935250 804065263 /nfs/dbraw/zinc/06/52/63/804065263.db2.gz DXPGZSAXZUFKLP-UHFFFAOYSA-N -2 0 294.310 3.252 20 0 CGADRL O=C([O-])c1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC001215279054 815502764 /nfs/dbraw/zinc/50/27/64/815502764.db2.gz XMWIKFVSMGQREY-UHFFFAOYSA-N -2 0 293.225 3.105 20 0 CGADRL O=C([O-])c1ccccc1-c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001222679244 816497834 /nfs/dbraw/zinc/49/78/34/816497834.db2.gz XWVZEUXRYLRTSI-UHFFFAOYSA-N -2 0 282.295 3.168 20 0 CGADRL CCCCc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001241054606 821525379 /nfs/dbraw/zinc/52/53/79/821525379.db2.gz XNFSIRWHRPJDMN-UHFFFAOYSA-N -2 0 290.299 3.499 20 0 CGADRL CC(C)c1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001241741299 822117586 /nfs/dbraw/zinc/11/75/86/822117586.db2.gz WALRHECIZQOGIB-UHFFFAOYSA-N -2 0 276.272 3.280 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncccc2C2CC2)c1 ZINC001242162127 822900579 /nfs/dbraw/zinc/90/05/79/822900579.db2.gz AQKLYOJAJAJMPB-UHFFFAOYSA-N -2 0 283.283 3.022 20 0 CGADRL COc1cc(C(=O)[O-])cc(-c2cccc([S-])c2)c1 ZINC001244177414 803227096 /nfs/dbraw/zinc/22/70/96/803227096.db2.gz ROZIVLVRDMKDLE-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL O=C([O-])c1cc(-c2ccc([S-])cc2F)cnc1F ZINC001244755681 803521089 /nfs/dbraw/zinc/52/10/89/803521089.db2.gz BZNAFDJSYGCGRZ-UHFFFAOYSA-N -2 0 267.256 3.014 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc2ccoc21 ZINC001245615507 803856952 /nfs/dbraw/zinc/85/69/52/803856952.db2.gz MMBBJAWSWRJZRC-UHFFFAOYSA-N -2 0 282.251 3.496 20 0 CGADRL COC(=O)[C@H]1CC[C@H](Nc2cc([S-])cc([S-])c2)CC1 ZINC001167830235 807257897 /nfs/dbraw/zinc/25/78/97/807257897.db2.gz ADPVVLNEHRCUQQ-MGCOHNPYSA-N -2 0 297.445 3.408 20 0 CGADRL Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176238213 809653352 /nfs/dbraw/zinc/65/33/52/809653352.db2.gz PHBLFHIVXFCOKC-UHFFFAOYSA-N -2 0 271.272 3.135 20 0 CGADRL C=Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176241414 809654444 /nfs/dbraw/zinc/65/44/44/809654444.db2.gz GCXIOWQVTXGWLD-UHFFFAOYSA-N -2 0 283.283 3.470 20 0 CGADRL COc1cc(Nc2ccc([S-])cc2)cc(C(=O)[O-])c1 ZINC001213592956 815308254 /nfs/dbraw/zinc/30/82/54/815308254.db2.gz UHIOZJAVDCYPKD-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL CCOC(=O)NC(=S)Nc1cc(Cl)ccc1[S-] ZINC001195484869 811259848 /nfs/dbraw/zinc/25/98/48/811259848.db2.gz VFGXQGDRJAOZDT-UHFFFAOYSA-N -2 0 290.797 3.072 20 0 CGADRL COc1c(C(=O)[O-])cccc1-c1ccccc1[S-] ZINC001242922873 823173060 /nfs/dbraw/zinc/17/30/60/823173060.db2.gz PWHWJAIGYVKVSN-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL O=C([O-])c1ccc(-c2ccccc2C(=O)[O-])c(F)c1F ZINC001243513531 823426626 /nfs/dbraw/zinc/42/66/26/823426626.db2.gz IRNIEOXPGRRENK-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL CN1CCOc2cc(-c3cc([S-])cc([S-])c3)cnc21 ZINC001239614039 820458603 /nfs/dbraw/zinc/45/86/03/820458603.db2.gz IYLZBCFEHJAPAV-UHFFFAOYSA-N -2 0 290.413 3.155 20 0 CGADRL NC(=O)c1ccccc1-c1cc([S-])cc([S-])c1 ZINC001239764171 820584820 /nfs/dbraw/zinc/58/48/20/820584820.db2.gz WAVWPKNLFBFWSZ-UHFFFAOYSA-N -2 0 261.371 3.030 20 0 CGADRL CNC(=O)c1cccc(-c2cc([S-])cc([S-])c2)c1 ZINC001240017039 820782659 /nfs/dbraw/zinc/78/26/59/820782659.db2.gz IAXKLNVAEVFZHC-UHFFFAOYSA-N -2 0 275.398 3.291 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3[nH]ccc32)c1 ZINC001242160770 822899569 /nfs/dbraw/zinc/89/95/69/822899569.db2.gz KNNGJSRMIAKSDZ-UHFFFAOYSA-N -2 0 281.267 3.231 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc3ccsc3cn2)c1 ZINC001242159720 822899591 /nfs/dbraw/zinc/89/95/91/822899591.db2.gz WUUFLSWAUGRKMD-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc(F)c2F)c1 ZINC001242159995 822899624 /nfs/dbraw/zinc/89/96/24/822899624.db2.gz AIRZJUZKNAXMHC-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL COc1c(C)cccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162944 822900224 /nfs/dbraw/zinc/90/02/24/822900224.db2.gz MRTJMNMUHREBIZ-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3ccoc32)c1 ZINC001242162495 822900488 /nfs/dbraw/zinc/90/04/88/822900488.db2.gz VWVYAUQXKZNCHF-UHFFFAOYSA-N -2 0 282.251 3.496 20 0 CGADRL O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(F)cc1[O-] ZINC000436907155 534820422 /nfs/dbraw/zinc/82/04/22/534820422.db2.gz RPCTWRHTCKKQHW-UHFFFAOYSA-N -2 0 299.660 3.282 20 0 CGADRL [S-]c1cc([S-])cc(NCCOc2cccnc2)c1 ZINC001168620200 807458341 /nfs/dbraw/zinc/45/83/41/807458341.db2.gz CWORXYZQXRHSIO-UHFFFAOYSA-N -2 0 278.402 3.150 20 0 CGADRL Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C ZINC001176237423 809653451 /nfs/dbraw/zinc/65/34/51/809653451.db2.gz HGUYRRUBRZMYLU-UHFFFAOYSA-N -2 0 285.299 3.443 20 0 CGADRL O=C([O-])CCc1ccc(Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001213631940 815314202 /nfs/dbraw/zinc/31/42/02/815314202.db2.gz NMEUXDQWVQFBKS-UHFFFAOYSA-N -2 0 285.299 3.146 20 0 CGADRL CSc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)c(C)c1 ZINC001206101806 813200815 /nfs/dbraw/zinc/20/08/15/813200815.db2.gz XRGDZUJMJGHSSL-UHFFFAOYSA-N -2 0 294.312 3.187 20 0 CGADRL COc1c(C(=O)[O-])cccc1-c1ccc([S-])c(F)c1 ZINC001242924225 823173734 /nfs/dbraw/zinc/17/37/34/823173734.db2.gz MSTVYBQDOPIVSQ-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL Cc1c(F)cccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001240728821 821281333 /nfs/dbraw/zinc/28/13/33/821281333.db2.gz MYAZSJOXCDIIGU-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL COc1ccc(-c2ccc([S-])cc2F)cc1C(=O)[O-] ZINC001241874584 822190419 /nfs/dbraw/zinc/19/04/19/822190419.db2.gz HEYKSJPNWUFXBQ-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2c(F)cc(F)cc2F)c1 ZINC001242161312 822899814 /nfs/dbraw/zinc/89/98/14/822899814.db2.gz UCVHABVSHRNHNV-UHFFFAOYSA-N -2 0 296.200 3.167 20 0 CGADRL CC(C)(C)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242159984 822899979 /nfs/dbraw/zinc/89/99/79/822899979.db2.gz AAOXNZMXAGVTAX-UHFFFAOYSA-N -2 0 299.326 3.443 20 0 CGADRL Cc1c(F)c(F)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163238 822900378 /nfs/dbraw/zinc/90/03/78/822900378.db2.gz QZJARWIUDHUJBI-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL Cc1c([S-])ccc(-c2ccc(C(=O)[O-])nc2)c1F ZINC001242338200 822954994 /nfs/dbraw/zinc/95/49/94/822954994.db2.gz QCDRLIFDGUSMBJ-UHFFFAOYSA-N -2 0 263.293 3.183 20 0 CGADRL COc1ccc(C(=O)[O-])cc1-c1ccccc1[S-] ZINC001242390228 822978771 /nfs/dbraw/zinc/97/87/71/822978771.db2.gz AECCSVLQWLUIAX-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL Cc1cc(Cl)cc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001242519203 823017230 /nfs/dbraw/zinc/01/72/30/823017230.db2.gz CLMVTPJIZNGSFE-UHFFFAOYSA-N -2 0 282.663 3.118 20 0 CGADRL Cc1ccc(C(=O)[O-])cc1-c1cccc(C(=O)[O-])c1 ZINC000623049976 349755735 /nfs/dbraw/zinc/75/57/35/349755735.db2.gz OEKHKGZXZFNBAG-UHFFFAOYSA-N -2 0 256.257 3.058 20 0 CGADRL CCCCCc1cc(=O)n(Cc2ccc(C(=O)[O-])cc2)[n-]1 ZINC001245941636 804073130 /nfs/dbraw/zinc/07/31/30/804073130.db2.gz BOKSWHFCQHQXLM-UHFFFAOYSA-N -2 0 288.347 3.068 20 0 CGADRL O=C([O-])c1cc(Nc2cccc3c2CCC3)cc(C(=O)[O-])c1 ZINC001176239507 809654169 /nfs/dbraw/zinc/65/41/69/809654169.db2.gz ZDVWUFDAMQDJKR-UHFFFAOYSA-N -2 0 297.310 3.315 20 0 CGADRL O=C([O-])/C=C/c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1 ZINC001176595736 809726925 /nfs/dbraw/zinc/72/69/25/809726925.db2.gz UTIDITOTWXWNED-XCVCLJGOSA-N -2 0 283.283 3.226 20 0 CGADRL CC(C)c1nnc([N-]c2cc(C(=O)[O-])c(Cl)cc2F)o1 ZINC001214736479 815447046 /nfs/dbraw/zinc/44/70/46/815447046.db2.gz WRWZTMYEJHXXRT-UHFFFAOYSA-N -2 0 299.689 3.427 20 0 CGADRL CSc1ccccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001242945155 823183337 /nfs/dbraw/zinc/18/33/37/823183337.db2.gz WEEUFYITZNSSJT-UHFFFAOYSA-N -2 0 288.324 3.472 20 0 CGADRL O=C([O-])c1ccccc1-c1c(F)cc(F)c([O-])c1F ZINC001235994999 819263936 /nfs/dbraw/zinc/26/39/36/819263936.db2.gz MSJDTDZINSAOCK-UHFFFAOYSA-N -2 0 268.190 3.175 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1c(F)cccc1F ZINC001239574889 820424296 /nfs/dbraw/zinc/42/42/96/820424296.db2.gz XQQZJMUIQYFSPG-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL Cc1cc(F)cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001240596704 821177479 /nfs/dbraw/zinc/17/74/79/821177479.db2.gz PAMWTZSRAMLJGO-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL COc1cc(-c2cc([S-])cc([S-])c2)cnc1OC ZINC001240622689 821197047 /nfs/dbraw/zinc/19/70/47/821197047.db2.gz ZGAUHAJZCSUDNG-UHFFFAOYSA-N -2 0 279.386 3.343 20 0 CGADRL CSc1ccccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161499 822899533 /nfs/dbraw/zinc/89/95/33/822899533.db2.gz XRUSRKXRUQOIIJ-UHFFFAOYSA-N -2 0 288.324 3.472 20 0 CGADRL Cc1c(F)ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1F ZINC001242161453 822899950 /nfs/dbraw/zinc/89/99/50/822899950.db2.gz AHRQQRGJIKUAQU-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C3CC3)nc2)c1 ZINC001242163418 822900394 /nfs/dbraw/zinc/90/03/94/822900394.db2.gz XQEITWOCXOKOHD-UHFFFAOYSA-N -2 0 283.283 3.022 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3c2CC=C3)c1 ZINC001242162104 822900410 /nfs/dbraw/zinc/90/04/10/822900410.db2.gz DNMUBEHTTXBSCE-UHFFFAOYSA-N -2 0 280.279 3.319 20 0 CGADRL Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)c1 ZINC001250546369 805686969 /nfs/dbraw/zinc/68/69/69/805686969.db2.gz RLCZAOAOCZPKEK-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL CC(C)C[C@H](CO)Nc1cc([S-])cc([S-])c1 ZINC001162372282 806569500 /nfs/dbraw/zinc/56/95/00/806569500.db2.gz GGEFPNGIQISUIT-SNVBAGLBSA-N -2 0 257.424 3.083 20 0 CGADRL COc1cc(CO)cc(-c2cc([S-])cc([S-])c2)c1 ZINC001244843119 803547616 /nfs/dbraw/zinc/54/76/16/803547616.db2.gz CRWJBVVBESUYPE-UHFFFAOYSA-N -2 0 278.398 3.432 20 0 CGADRL O=C([O-])c1cc(Nc2ccc(F)c(F)c2)cc(C(=O)[O-])c1 ZINC001176238629 809654591 /nfs/dbraw/zinc/65/45/91/809654591.db2.gz RTRAWTPQGRGFTA-UHFFFAOYSA-N -2 0 293.225 3.105 20 0 CGADRL O=C([O-])c1ccc(Nc2c(F)cc(C(=O)[O-])cc2F)cc1 ZINC001215613592 815548166 /nfs/dbraw/zinc/54/81/66/815548166.db2.gz OWRVQJOZRQRFAL-UHFFFAOYSA-N -2 0 293.225 3.105 20 0 CGADRL CCc1cccc(C)c1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001242817876 823143961 /nfs/dbraw/zinc/14/39/61/823143961.db2.gz IFIJANWIPFGOIN-UHFFFAOYSA-N -2 0 276.272 3.027 20 0 CGADRL Cc1cc(F)ccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001239740306 820562168 /nfs/dbraw/zinc/56/21/68/820562168.db2.gz VYJRKPLYBJVKOY-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2ncsc2c1 ZINC001240342714 820979890 /nfs/dbraw/zinc/97/98/90/820979890.db2.gz JAURBZSIDXRGNG-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(F)c(F)c(F)c2)c1 ZINC001242160780 822899635 /nfs/dbraw/zinc/89/96/35/822899635.db2.gz LHACTXIWIDGCKM-UHFFFAOYSA-N -2 0 296.200 3.167 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(F)ccc2[S-])c1 ZINC001242163411 822900502 /nfs/dbraw/zinc/90/05/02/822900502.db2.gz XFZIGRUHBRGKID-UHFFFAOYSA-N -3 0 292.287 3.178 20 0 CGADRL OCc1cc(-c2cc([S-])cc([S-])c2)ccc1O ZINC001244777806 803528214 /nfs/dbraw/zinc/52/82/14/803528214.db2.gz VEZCGUDZUVDWOJ-UHFFFAOYSA-N -2 0 264.371 3.129 20 0 CGADRL O=C([O-])c1ccc(-c2ccccc2C(=O)[O-])c(Cl)c1 ZINC001245373224 803717705 /nfs/dbraw/zinc/71/77/05/803717705.db2.gz ZNOKBBISKOJEDK-UHFFFAOYSA-N -2 0 276.675 3.403 20 0 CGADRL O=C([O-])c1cc(Nc2cccc(F)c2F)cc(C(=O)[O-])c1 ZINC001176237556 809653358 /nfs/dbraw/zinc/65/33/58/809653358.db2.gz JFFGDSVQUWGIMN-UHFFFAOYSA-N -2 0 293.225 3.105 20 0 CGADRL O=C([O-])c1cc(Nc2ccccc2Cl)cc(C(=O)[O-])c1 ZINC001176238046 809653397 /nfs/dbraw/zinc/65/33/97/809653397.db2.gz LVHAUZZRHOAMBB-UHFFFAOYSA-N -2 0 291.690 3.480 20 0 CGADRL Cc1ccc(C)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176239386 809654430 /nfs/dbraw/zinc/65/44/30/809654430.db2.gz VZMDBLZFERYOTN-UHFFFAOYSA-N -2 0 285.299 3.443 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccccc1OC1CC1 ZINC001242793107 823133812 /nfs/dbraw/zinc/13/38/12/823133812.db2.gz HSEUBCAQJQDYND-UHFFFAOYSA-N -2 0 298.294 3.291 20 0 CGADRL Cc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)c(Cl)c1 ZINC001239863089 820669054 /nfs/dbraw/zinc/66/90/54/820669054.db2.gz DFXSUJBIHNKMRR-UHFFFAOYSA-N -2 0 282.663 3.118 20 0 CGADRL [S-]c1cc([S-])cc(-c2cnn([C@@H]3CCOC3)c2)c1 ZINC001240641370 821209412 /nfs/dbraw/zinc/20/94/12/821209412.db2.gz RNZZYQOEWKBNQD-LLVKDONJSA-N -2 0 278.402 3.089 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc([S-])cc2F)c1 ZINC001242163262 822900120 /nfs/dbraw/zinc/90/01/20/822900120.db2.gz RIFVGWQRICJBMF-UHFFFAOYSA-N -3 0 292.287 3.178 20 0 CGADRL Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C ZINC001242162162 822900150 /nfs/dbraw/zinc/90/01/50/822900150.db2.gz PQLQIXIYVFGKGR-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL COc1cc(C)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242162937 822900509 /nfs/dbraw/zinc/90/05/09/822900509.db2.gz NGIICUJARAMRDR-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL O=C([O-])c1ccc2nc(/C=C/c3cccc(O)c3)oc2c1 ZINC000439267435 238243236 /nfs/dbraw/zinc/24/32/36/238243236.db2.gz DSVUDCITKKAVAK-QPJJXVBHSA-N -2 0 281.267 3.402 20 0 CGADRL Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1ccco1 ZINC000565961248 322098860 /nfs/dbraw/zinc/09/88/60/322098860.db2.gz BCJRMKDJHDYPOF-UHFFFAOYSA-N -2 0 288.299 3.288 20 0 CGADRL O=C([O-])c1cc(Nc2ccc3[nH]ccc3c2)cc(C(=O)[O-])c1 ZINC001159562127 806122409 /nfs/dbraw/zinc/12/24/09/806122409.db2.gz ONFFUMMTKXOGCA-UHFFFAOYSA-N -2 0 296.282 3.308 20 0 CGADRL CSc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1F ZINC001242976884 823196215 /nfs/dbraw/zinc/19/62/15/823196215.db2.gz IFORACBOUSHYAE-UHFFFAOYSA-N -2 0 298.275 3.018 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccccc1Cl ZINC001222426982 816442887 /nfs/dbraw/zinc/44/28/87/816442887.db2.gz FNCRWELSKJVBBD-UHFFFAOYSA-N -2 0 276.675 3.403 20 0 CGADRL C[C@H](Oc1cc(=O)[nH]c(-c2ccccc2)n1)C1=CC=C[CH]1 ZINC001226184211 817292154 /nfs/dbraw/zinc/29/21/54/817292154.db2.gz CHPPANUBAFPWEG-LBPRGKRZSA-N -2 0 279.319 3.317 20 0 CGADRL Cc1ccc(C)c(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001241191200 821626753 /nfs/dbraw/zinc/62/67/53/821626753.db2.gz YIFCUVAJWKFEOC-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL CC(C)(C)c1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242158924 822899710 /nfs/dbraw/zinc/89/97/10/822899710.db2.gz CQFNWWMZIHXLEP-UHFFFAOYSA-N -2 0 299.326 3.443 20 0 CGADRL Cc1c(F)cccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160746 822899912 /nfs/dbraw/zinc/89/99/12/822899912.db2.gz JECUCMQHMOFGEE-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL Cc1c(F)ccc(F)c1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163362 822900155 /nfs/dbraw/zinc/90/01/55/822900155.db2.gz VTXILXHYNVMKFG-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL Cc1nc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2o1 ZINC001242161511 822900408 /nfs/dbraw/zinc/90/04/08/822900408.db2.gz YCNYPYQYHRKKFH-UHFFFAOYSA-N -2 0 297.266 3.200 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C(F)F)cn2)c1 ZINC001242162181 822900546 /nfs/dbraw/zinc/90/05/46/822900546.db2.gz FQDXACSYHVXHPY-UHFFFAOYSA-N -2 0 293.225 3.083 20 0 CGADRL O=C([O-])/C=C/c1ccccc1-c1cccc(CC(=O)[O-])c1 ZINC001242263693 822930356 /nfs/dbraw/zinc/93/03/56/822930356.db2.gz MSNPQHFBOOVSHL-CMDGGOBGSA-N -2 0 282.295 3.079 20 0 CGADRL Cc1nn(C)c(C)c1CNc1cc([S-])cc([S-])c1 ZINC001162884937 806680242 /nfs/dbraw/zinc/68/02/42/806680242.db2.gz XHZFGDXRALKSGF-UHFFFAOYSA-N -2 0 279.434 3.226 20 0 CGADRL CC[C@H](C)[C@H](Nc1cc([S-])cc([S-])c1)C(=O)OC ZINC001164134532 806899023 /nfs/dbraw/zinc/89/90/23/806899023.db2.gz LDHAJQZNJXAEOU-UFBFGSQYSA-N -2 0 285.434 3.264 20 0 CGADRL O=C([O-])Cc1ccc(F)c(-c2ccccc2[S-])c1 ZINC001245316099 803698354 /nfs/dbraw/zinc/69/83/54/803698354.db2.gz IGPZTRYROZJPLN-UHFFFAOYSA-N -2 0 262.305 3.409 20 0 CGADRL O=S(=O)([N-]c1cc(Cl)ccc1[S-])c1ccco1 ZINC001186851635 810364947 /nfs/dbraw/zinc/36/49/47/810364947.db2.gz HTGNHUGEVSACEX-UHFFFAOYSA-N -2 0 289.765 3.023 20 0 CGADRL O=C([O-])c1ccc(Nc2cc(Cl)ccc2[S-])cn1 ZINC001210176399 814321599 /nfs/dbraw/zinc/32/15/99/814321599.db2.gz IRPKPZHONKAFQA-UHFFFAOYSA-N -2 0 280.736 3.466 20 0 CGADRL COc1c(Nc2ccc([S-])cc2)cccc1C(=O)[O-] ZINC001211037840 814715208 /nfs/dbraw/zinc/71/52/08/814715208.db2.gz RIUMHGNSINOCBY-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc(OC2CC2)c1 ZINC001242806490 823140144 /nfs/dbraw/zinc/14/01/44/823140144.db2.gz ZESOALBEKOWNCO-UHFFFAOYSA-N -2 0 298.294 3.291 20 0 CGADRL O=C([O-])c1ccccc1-c1ccc2oc(=S)[n-]c2c1 ZINC001242878511 823161940 /nfs/dbraw/zinc/16/19/40/823161940.db2.gz WGFWBHKKWGHGAV-UHFFFAOYSA-N -2 0 271.297 3.482 20 0 CGADRL CSc1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1F ZINC001243375239 823377909 /nfs/dbraw/zinc/37/79/09/823377909.db2.gz WBMUDWGCWIDRKZ-UHFFFAOYSA-N -2 0 298.275 3.018 20 0 CGADRL Cc1cc(C)c(-c2ccc(P(=O)([O-])[O-])cc2)c(C)c1 ZINC001239550892 820403254 /nfs/dbraw/zinc/40/32/54/820403254.db2.gz SDLYVJAXJKFTAC-UHFFFAOYSA-N -2 0 276.272 3.082 20 0 CGADRL O=C([O-])c1cncc(-c2ccc3sc(=S)[n-]c3c2)c1 ZINC001241803862 822152505 /nfs/dbraw/zinc/15/25/05/822152505.db2.gz XOPWURAIJGQKQI-UHFFFAOYSA-N -2 0 288.353 3.345 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3cc[nH]c3c2)c1 ZINC001242160402 822899547 /nfs/dbraw/zinc/89/95/47/822899547.db2.gz CSOLYWVIIHWBMK-UHFFFAOYSA-N -2 0 281.267 3.231 20 0 CGADRL COc1ccc(C(=O)[O-])cc1-c1cc(F)ccc1[S-] ZINC001242392205 822979758 /nfs/dbraw/zinc/97/97/58/822979758.db2.gz OUDXKOZVJIMQNI-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL CCCCc1[n-]n(-c2cccc(C(=O)[O-])c2C)c(=O)c1C ZINC000634632935 351554490 /nfs/dbraw/zinc/55/44/90/351554490.db2.gz FAUZHXJXSUAVRL-LLVKDONJSA-N -2 0 288.347 3.222 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2ccc3sccc3c2)cc1 ZINC001244298197 803284687 /nfs/dbraw/zinc/28/46/87/803284687.db2.gz OAZFIAGCOOFJSF-UHFFFAOYSA-N -2 0 290.280 3.371 20 0 CGADRL Cc1ccc(-c2cc(=O)n(-c3cccc(C(=O)[O-])c3)[n-]2)cc1 ZINC001245918824 804047573 /nfs/dbraw/zinc/04/75/73/804047573.db2.gz DPOKPSRXDNVUBG-UHFFFAOYSA-N -2 0 294.310 3.252 20 0 CGADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2[S-])s1 ZINC001260683768 807699016 /nfs/dbraw/zinc/69/90/16/807699016.db2.gz CGSNZBMYEJTPBN-UHFFFAOYSA-N -2 0 285.415 3.146 20 0 CGADRL O=C([O-])c1cc(Nc2cccc(Cl)c2)cc(C(=O)[O-])c1 ZINC001176237570 809653525 /nfs/dbraw/zinc/65/35/25/809653525.db2.gz JMJUJCAPYPCXJJ-UHFFFAOYSA-N -2 0 291.690 3.480 20 0 CGADRL O=C([O-])c1cc(Nc2c(F)cccc2F)cc(C(=O)[O-])c1 ZINC001176238170 809653649 /nfs/dbraw/zinc/65/36/49/809653649.db2.gz OBRVIXXHCYIGOJ-UHFFFAOYSA-N -2 0 293.225 3.105 20 0 CGADRL Cc1cccc(F)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241138 809654601 /nfs/dbraw/zinc/65/46/01/809654601.db2.gz ABFSDMXSISIGBN-UHFFFAOYSA-N -2 0 289.262 3.274 20 0 CGADRL Cc1nonc1[N-]c1c(Cl)cc(C(=O)[O-])cc1Cl ZINC001214508833 815418452 /nfs/dbraw/zinc/41/84/52/815418452.db2.gz FNPUUNLBVQPINK-UHFFFAOYSA-N -2 0 288.090 3.127 20 0 CGADRL Cc1cc(-c2ccccc2C(=O)[O-])ccc1C(=O)[O-] ZINC001243214132 823295550 /nfs/dbraw/zinc/29/55/50/823295550.db2.gz LPBNJQCFHHVBHZ-UHFFFAOYSA-N -2 0 256.257 3.058 20 0 CGADRL COCOc1ccc(-c2cc([S-])cc([S-])c2)cn1 ZINC001235956543 819243896 /nfs/dbraw/zinc/24/38/96/819243896.db2.gz MDOLNNCKRSRQPT-UHFFFAOYSA-N -2 0 279.386 3.309 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc(Cl)cc1 ZINC001236090071 819309689 /nfs/dbraw/zinc/30/96/89/819309689.db2.gz MMKLHMBSEXXXQR-UHFFFAOYSA-N -2 0 276.675 3.403 20 0 CGADRL COc1cnc(F)cc1-c1cc([S-])cc([S-])c1 ZINC001239038591 820201415 /nfs/dbraw/zinc/20/14/15/820201415.db2.gz BCKSWFFNKRPDSF-UHFFFAOYSA-N -2 0 267.350 3.474 20 0 CGADRL Cc1nn(C)c(C)c1-c1cc([S-])cc([S-])c1 ZINC001240144462 820851957 /nfs/dbraw/zinc/85/19/57/820851957.db2.gz FEHGGJYQSQCCEM-UHFFFAOYSA-N -2 0 250.392 3.281 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3ncsc3c2)c1 ZINC001242161533 822900334 /nfs/dbraw/zinc/90/03/34/822900334.db2.gz YSKYIXFRVNQNNH-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL Cn1ccc2c1cccc2-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161906 822900500 /nfs/dbraw/zinc/90/05/00/822900500.db2.gz OBWBFUXCXBQLAL-UHFFFAOYSA-N -2 0 295.294 3.242 20 0 CGADRL O=C(Nc1ccc(F)c(F)c1[O-])c1cc(Cl)ccc1[O-] ZINC001556934241 938206673 /nfs/dbraw/zinc/20/66/73/938206673.db2.gz BZENZVQQSQBWHM-UHFFFAOYSA-N -2 0 299.660 3.282 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2ccc(C3CC3)cc2F)cc1 ZINC001244126607 803199946 /nfs/dbraw/zinc/19/99/46/803199946.db2.gz YLHQHMITWLURRA-UHFFFAOYSA-N -2 0 292.246 3.173 20 0 CGADRL O=C(Cc1ccc([S-])cc1)Nc1ccccc1[S-] ZINC001183189312 810139677 /nfs/dbraw/zinc/13/96/77/810139677.db2.gz QMSVMKLGOZHXCR-UHFFFAOYSA-N -2 0 275.398 3.445 20 0 CGADRL CCc1cc(-c2ccc(P(=O)([O-])[O-])cc2)ccc1Cl ZINC001205813274 813089754 /nfs/dbraw/zinc/08/97/54/813089754.db2.gz QUNINKUTFWJNLX-UHFFFAOYSA-N -2 0 296.690 3.372 20 0 CGADRL Cn1c(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc2ccccc21 ZINC001243352779 823361845 /nfs/dbraw/zinc/36/18/45/823361845.db2.gz KXCHPOMNXDBONG-UHFFFAOYSA-N -2 0 295.294 3.242 20 0 CGADRL O=C([O-])Cc1ccc(-c2ccc3oc(=S)[n-]c3c2)cc1 ZINC001240975437 821459360 /nfs/dbraw/zinc/45/93/60/821459360.db2.gz OUEQUTGRSIDHRQ-UHFFFAOYSA-N -2 0 285.324 3.411 20 0 CGADRL O=C([O-])c1cncc(-c2cc([S-])cc([S-])c2)c1 ZINC001241801905 822151198 /nfs/dbraw/zinc/15/11/98/822151198.db2.gz DFRNXNCCWWMYHU-UHFFFAOYSA-N -3 0 263.343 3.024 20 0 CGADRL Cc1cccc(F)c1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161884 822900521 /nfs/dbraw/zinc/90/05/21/822900521.db2.gz MUEPKKMZSCCEOU-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL O=C([O-])Cc1cccc(-c2ccc([S-])c(F)c2)c1 ZINC001242264734 822930734 /nfs/dbraw/zinc/93/07/34/822930734.db2.gz BQKYNEHNLQIDRE-UHFFFAOYSA-N -2 0 262.305 3.409 20 0 CGADRL CC(C)c1ccc(N)c(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001244214520 803244371 /nfs/dbraw/zinc/24/43/71/803244371.db2.gz MNVWWTXBGLWJIQ-UHFFFAOYSA-N -2 0 299.326 3.456 20 0 CGADRL Oc1cc([N-]c2nnc(-c3ccco3)o2)c(F)c(F)c1F ZINC001249958715 805325039 /nfs/dbraw/zinc/32/50/39/805325039.db2.gz QVCXPJVDYCFWEB-UHFFFAOYSA-N -2 0 297.192 3.196 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccnc1C1CC1 ZINC001243686357 823485999 /nfs/dbraw/zinc/48/59/99/823485999.db2.gz KZMOSFZSEHSYEI-UHFFFAOYSA-N -2 0 283.283 3.022 20 0 CGADRL CCc1ccccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001239744295 820567018 /nfs/dbraw/zinc/56/70/18/820567018.db2.gz UDYHIASNLSNWSO-UHFFFAOYSA-N -2 0 270.284 3.312 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cncc2ccccc21 ZINC001239945313 820726844 /nfs/dbraw/zinc/72/68/44/820726844.db2.gz UEZNROONIBAVHI-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL COc1cc(-c2ccccc2[S-])ccc1C(=O)[O-] ZINC001240742957 821294198 /nfs/dbraw/zinc/29/41/98/821294198.db2.gz PCMADSOYDBWJQY-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL CN(C)c1ccc(-c2cc([S-])cc([S-])c2)cn1 ZINC001241371133 821772552 /nfs/dbraw/zinc/77/25/52/821772552.db2.gz ORWUSHWYKRTSEF-UHFFFAOYSA-N -2 0 262.403 3.392 20 0 CGADRL CCCc1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1 ZINC001241691270 822073323 /nfs/dbraw/zinc/07/33/23/822073323.db2.gz VRBUBPBBUFVIQP-UHFFFAOYSA-N -2 0 276.272 3.109 20 0 CGADRL Cc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(F)c1F ZINC001242029001 822292481 /nfs/dbraw/zinc/29/24/81/822292481.db2.gz IDVZMLVKWXZRGH-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3[nH]cc(F)c32)c1 ZINC001242163008 822900342 /nfs/dbraw/zinc/90/03/42/822900342.db2.gz OFXGYAUZTNLAKY-UHFFFAOYSA-N -2 0 299.257 3.370 20 0 CGADRL O=C([O-])c1ccsc1NC(=O)c1cccc(Cl)c1[O-] ZINC001595265077 949736037 /nfs/dbraw/zinc/73/60/37/949736037.db2.gz GZVGEUKFKBOARU-UHFFFAOYSA-N -2 0 297.719 3.058 20 0 CGADRL Cc1sc(/C=C/c2cc(C(=O)[O-])cs2)nc1C(=O)[O-] ZINC000352035316 219296635 /nfs/dbraw/zinc/29/66/35/219296635.db2.gz PDDREZWXEZMGCT-NSCUHMNNSA-N -2 0 295.341 3.080 20 0 CGADRL [S-]c1cc([S-])cc(NC[C@H]2CCCCO2)c1 ZINC001165242235 806979457 /nfs/dbraw/zinc/97/94/57/806979457.db2.gz WGYRYNCLXZQQAS-SNVBAGLBSA-N -2 0 255.408 3.245 20 0 CGADRL Cc1ncc(C2CC2)cc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001244141245 803204838 /nfs/dbraw/zinc/20/48/38/803204838.db2.gz STEGPZXTQFQRRE-UHFFFAOYSA-N -2 0 297.310 3.331 20 0 CGADRL COc1cc(C(=O)[O-])cc(-c2ccccc2[S-])c1 ZINC001244176877 803226539 /nfs/dbraw/zinc/22/65/39/803226539.db2.gz QQMAWZYMCVLXLD-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL CC(C)CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC001259885020 807691957 /nfs/dbraw/zinc/69/19/57/807691957.db2.gz UTTYFIORNXWIDO-UHFFFAOYSA-N -2 0 298.191 3.097 20 0 CGADRL COc1ccc(C(=O)[O-])cc1Nc1ccc([S-])cc1 ZINC001210258088 814368893 /nfs/dbraw/zinc/36/88/93/814368893.db2.gz BVRRWSXQXIDCTK-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL COc1c(C(=O)[O-])cccc1-c1ccc([S-])cc1F ZINC001242923746 823173472 /nfs/dbraw/zinc/17/34/72/823173472.db2.gz SJJBJIINTWKVHY-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc2ccccc2[nH]1 ZINC001243105544 823248844 /nfs/dbraw/zinc/24/88/44/823248844.db2.gz YXZNKXRPIYWBIA-UHFFFAOYSA-N -2 0 281.267 3.231 20 0 CGADRL COC(=O)c1cncc(-c2cc([S-])cc([S-])c2)c1 ZINC001243146383 823263438 /nfs/dbraw/zinc/26/34/38/823263438.db2.gz DBPURRHBQQPIKI-UHFFFAOYSA-N -2 0 277.370 3.113 20 0 CGADRL Cc1cc(-c2ccccc2/C=C/C(=O)[O-])ccc1C(=O)[O-] ZINC001243214853 823295877 /nfs/dbraw/zinc/29/58/77/823295877.db2.gz IGEXQDMSCOKQEK-VQHVLOKHSA-N -2 0 282.295 3.458 20 0 CGADRL COc1cc(C)cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001243243212 823309437 /nfs/dbraw/zinc/30/94/37/823309437.db2.gz GMIQHNVENMTLSI-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL COc1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1C ZINC001238982103 820180301 /nfs/dbraw/zinc/18/03/01/820180301.db2.gz CNSJUSASZSXTFK-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccnc2ccccc21 ZINC001239850037 820656056 /nfs/dbraw/zinc/65/60/56/820656056.db2.gz GSGAUBFPWPSGLU-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc(F)cc2[nH]ccc21 ZINC001240032598 820797727 /nfs/dbraw/zinc/79/77/27/820797727.db2.gz AXRVHOVZBTXXKF-UHFFFAOYSA-N -2 0 299.257 3.370 20 0 CGADRL COc1ccc(-c2cc(F)ccc2[S-])cc1C(=O)[O-] ZINC001241880727 822191458 /nfs/dbraw/zinc/19/14/58/822191458.db2.gz UMDBCKZFEGCEOO-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL COc1ccc(C)cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242160370 822899598 /nfs/dbraw/zinc/89/95/98/822899598.db2.gz BVCPWJXMKJNUMT-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL C[C@@H]1Cc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc2O1 ZINC001242161430 822899691 /nfs/dbraw/zinc/89/96/91/822899691.db2.gz VQUMIYSXNRLQBC-SECBINFHSA-N -2 0 298.294 3.073 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(c2)CCCO3)c1 ZINC001242162490 822900220 /nfs/dbraw/zinc/90/02/20/822900220.db2.gz VOQIFYSTOQCLMF-UHFFFAOYSA-N -2 0 298.294 3.075 20 0 CGADRL Cc1cc(C)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)n1 ZINC001242164318 822901072 /nfs/dbraw/zinc/90/10/72/822901072.db2.gz IQCIYNKLDINAAD-UHFFFAOYSA-N -2 0 285.299 3.070 20 0 CGADRL O=C([O-])c1csc(NC(=O)c2cccc(Cl)c2[O-])c1 ZINC000833784983 605259158 /nfs/dbraw/zinc/25/91/58/605259158.db2.gz WWKXVTIPOSPKTK-UHFFFAOYSA-N -2 0 297.719 3.058 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cnccc1C1CC1 ZINC001244280968 803277179 /nfs/dbraw/zinc/27/71/79/803277179.db2.gz MWNAWBKCSVEEPD-UHFFFAOYSA-N -2 0 283.283 3.022 20 0 CGADRL Cc1cc(-c2cc(C)c(C(=O)[O-])c(C)c2)cnc1C(=O)[O-] ZINC001244949148 803588073 /nfs/dbraw/zinc/58/80/73/803588073.db2.gz SUMJVCIZKVBJBC-UHFFFAOYSA-N -2 0 285.299 3.070 20 0 CGADRL COC(=O)c1ccc(-c2cc([S-])cc([S-])c2)cc1N ZINC001245902715 804031993 /nfs/dbraw/zinc/03/19/93/804031993.db2.gz CULIAEUUUOKBQG-UHFFFAOYSA-N -2 0 291.397 3.300 20 0 CGADRL CC1(C)C[C@@H](CNc2cc([S-])cc([S-])c2)O1 ZINC001168460300 807423567 /nfs/dbraw/zinc/42/35/67/807423567.db2.gz KQZVKRYWFIPKLS-VIFPVBQESA-N -2 0 255.408 3.243 20 0 CGADRL COc1cncc(CCNc2cc([S-])cc([S-])c2)c1 ZINC001169267802 807619622 /nfs/dbraw/zinc/61/96/22/807619622.db2.gz XOSVKZWVGQTHHN-UHFFFAOYSA-N -2 0 292.429 3.322 20 0 CGADRL CCOC(=O)C1(CNc2cc([S-])cc([S-])c2)CCC1 ZINC001169560978 807667372 /nfs/dbraw/zinc/66/73/72/807667372.db2.gz KPCKGEJHSXJVRI-UHFFFAOYSA-N -2 0 297.445 3.409 20 0 CGADRL COc1cc(Nc2cccc(C(=O)[O-])c2)ccc1[S-] ZINC001175334827 809359480 /nfs/dbraw/zinc/35/94/80/809359480.db2.gz KUBBPFMTUDGZLG-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL Cc1cc(F)cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176242242 809654563 /nfs/dbraw/zinc/65/45/63/809654563.db2.gz RTDHIAXCSUMIDY-UHFFFAOYSA-N -2 0 289.262 3.274 20 0 CGADRL CCOC(=O)NC(=S)Nc1ccc(Cl)cc1[S-] ZINC001195486996 811260148 /nfs/dbraw/zinc/26/01/48/811260148.db2.gz PCZPDJOPMNEPED-UHFFFAOYSA-N -2 0 290.797 3.072 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cnc2ccccc2c1 ZINC001239793769 820608803 /nfs/dbraw/zinc/60/88/03/820608803.db2.gz IELARJCAJKQLSG-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2ccc3ccccc3c2)cc1 ZINC001240910775 821409159 /nfs/dbraw/zinc/40/91/59/821409159.db2.gz UDPQSOXAENODPG-UHFFFAOYSA-N -2 0 284.251 3.310 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3cnccc32)c1 ZINC001242160779 822899523 /nfs/dbraw/zinc/89/95/23/822899523.db2.gz LEFRZCWPZHHHTC-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc(C3CC3)n2)c1 ZINC001242160866 822899688 /nfs/dbraw/zinc/89/96/88/822899688.db2.gz TVVXDHBHKGHTPH-UHFFFAOYSA-N -2 0 283.283 3.022 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3sccc3n2)c1 ZINC001242159138 822899955 /nfs/dbraw/zinc/89/99/55/822899955.db2.gz AGJGWZPZWKLNIY-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc3cc[nH]c3cc2F)c1 ZINC001242163251 822900367 /nfs/dbraw/zinc/90/03/67/822900367.db2.gz SBRBZYDCDHNFGC-UHFFFAOYSA-N -2 0 299.257 3.370 20 0 CGADRL COc1cc(-c2cc([S-])cc([S-])c2)c(OC)cn1 ZINC001242427679 822990358 /nfs/dbraw/zinc/99/03/58/822990358.db2.gz HRBUXQYKZNXPHQ-UHFFFAOYSA-N -2 0 279.386 3.343 20 0 CGADRL O=C(Nc1ccc(O)c(Cl)c1)c1ccc(O)c(F)c1 ZINC000768299510 627472831 /nfs/dbraw/zinc/47/28/31/627472831.db2.gz JBBSZNYLWSXIIY-UHFFFAOYSA-N -2 0 281.670 3.143 20 0 CGADRL Cn1ncc2cc(-c3cc([S-])cc([S-])c3)cnc21 ZINC001245473601 803757980 /nfs/dbraw/zinc/75/79/80/803757980.db2.gz BYTNRFFSMDCJHR-UHFFFAOYSA-N -2 0 273.386 3.213 20 0 CGADRL O=C([O-])c1ccccc1-c1cc([O-])c(F)c(F)c1F ZINC001245634992 803870676 /nfs/dbraw/zinc/87/06/76/803870676.db2.gz IUQFZODOWPFEKG-UHFFFAOYSA-N -2 0 268.190 3.175 20 0 CGADRL C=Cc1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244559 809654210 /nfs/dbraw/zinc/65/42/10/809654210.db2.gz MFQGTTOPHMJRIZ-UHFFFAOYSA-N -2 0 283.283 3.470 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2cc3cc(F)ccc3o2)cc1 ZINC001242707121 823106946 /nfs/dbraw/zinc/10/69/46/823106946.db2.gz RHDIJJWUWAUVPP-UHFFFAOYSA-N -2 0 292.202 3.042 20 0 CGADRL CCc1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001241546200 821936174 /nfs/dbraw/zinc/93/61/74/821936174.db2.gz ZKCSIJYIGRPPNO-UHFFFAOYSA-N -2 0 270.284 3.312 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(c2)NCCC3)c1 ZINC001242162439 822900398 /nfs/dbraw/zinc/90/03/98/822900398.db2.gz GCNOOBKQVCTMLE-UHFFFAOYSA-N -2 0 297.310 3.108 20 0 CGADRL Cc1ccc(N(C)C)cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163946 822900730 /nfs/dbraw/zinc/90/07/30/822900730.db2.gz TUXWNDWYVDEPLF-UHFFFAOYSA-N -2 0 299.326 3.124 20 0 CGADRL CC(C)(C)CCS(=O)(=O)[N-]c1cccc(Cl)c1[O-] ZINC000232512230 393027412 /nfs/dbraw/zinc/02/74/12/393027412.db2.gz VGJVCQKDRFRREU-UHFFFAOYSA-N -2 0 291.800 3.224 20 0 CGADRL CC(C)(C)OC(=O)CCNc1cc([S-])cc([S-])c1 ZINC001163413812 806761025 /nfs/dbraw/zinc/76/10/25/806761025.db2.gz CAGNNYYYHMLAIV-UHFFFAOYSA-N -2 0 285.434 3.408 20 0 CGADRL O=C([O-])c1cc(-c2cc(F)ccc2[S-])cnc1F ZINC001244754835 803520853 /nfs/dbraw/zinc/52/08/53/803520853.db2.gz CCOBGWKOGPLGAN-UHFFFAOYSA-N -2 0 267.256 3.014 20 0 CGADRL Cc1cc(Cl)ccc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001245086634 803639033 /nfs/dbraw/zinc/63/90/33/803639033.db2.gz RXSXHYMRKSYOLV-UHFFFAOYSA-N -2 0 282.663 3.118 20 0 CGADRL O=C([O-])c1ccccc1-n1[n-]c(-c2cccs2)cc1=O ZINC001245919315 804047498 /nfs/dbraw/zinc/04/74/98/804047498.db2.gz IZWQALKBMADDDL-UHFFFAOYSA-N -2 0 286.312 3.005 20 0 CGADRL Cc1ccc(-c2cc(=O)n(-c3ccccc3C(=O)[O-])[n-]2)cc1 ZINC001245918753 804047890 /nfs/dbraw/zinc/04/78/90/804047890.db2.gz AGMBTBILAJMEQW-UHFFFAOYSA-N -2 0 294.310 3.252 20 0 CGADRL Cc1nc(N)ccc1CNc1cc([S-])cc([S-])c1 ZINC001167786939 807251521 /nfs/dbraw/zinc/25/15/21/807251521.db2.gz KXEJZUGAXQVNAJ-UHFFFAOYSA-N -2 0 277.418 3.162 20 0 CGADRL CC[C@H](C)S(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-] ZINC001260739290 807702478 /nfs/dbraw/zinc/70/24/78/807702478.db2.gz HJNYUMYEYMAENO-LURJTMIESA-N -2 0 298.191 3.239 20 0 CGADRL O=C([O-])c1sccc1Nc1ccccc1[S-] ZINC001215391605 815514759 /nfs/dbraw/zinc/51/47/59/815514759.db2.gz CTXHRCIPRDEUKR-UHFFFAOYSA-N -2 0 251.332 3.479 20 0 CGADRL O=C([O-])c1cc(F)c(-c2ccccc2C(=O)[O-])c(F)c1 ZINC001222398173 816432031 /nfs/dbraw/zinc/43/20/31/816432031.db2.gz FJKBMMAFDBCDCP-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL O=C([O-])c1ccc(-c2ccc3oc(=S)[n-]c3c2)cc1 ZINC001236061943 819295394 /nfs/dbraw/zinc/29/53/94/819295394.db2.gz QLBGJVABGLNRFE-UHFFFAOYSA-N -2 0 271.297 3.482 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cncc3ccccc32)c1 ZINC001242160292 822899748 /nfs/dbraw/zinc/89/97/48/822899748.db2.gz ABARJDCJMRSEDA-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C(F)F)nc2)c1 ZINC001242161691 822900345 /nfs/dbraw/zinc/90/03/45/822900345.db2.gz IGYKKZPLYQZSOI-UHFFFAOYSA-N -2 0 293.225 3.083 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3csnc3c2)c1 ZINC001242163285 822900376 /nfs/dbraw/zinc/90/03/76/822900376.db2.gz SAMIHTLWQQTCMG-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1ccoc1 ZINC000568264988 322201952 /nfs/dbraw/zinc/20/19/52/322201952.db2.gz IZJQBOMJIAWKLI-UHFFFAOYSA-N -2 0 288.299 3.288 20 0 CGADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1c([O-])cccc1F ZINC000805261647 627135359 /nfs/dbraw/zinc/13/53/59/627135359.db2.gz ITTOKWPUSASNHT-UHFFFAOYSA-N -2 0 299.660 3.282 20 0 CGADRL CCCCS(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1[O-] ZINC001253863759 806317771 /nfs/dbraw/zinc/31/77/71/806317771.db2.gz FBTKOYXWZJKLER-UHFFFAOYSA-N -2 0 298.191 3.241 20 0 CGADRL CCn1cc(-c2cc([S-])cc([S-])c2)ccc1=O ZINC001243838999 803042006 /nfs/dbraw/zinc/04/20/06/803042006.db2.gz TYIKNISPQKCMHC-UHFFFAOYSA-N -2 0 263.387 3.113 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc2cc(F)ccc2[nH]1 ZINC001245575091 803828574 /nfs/dbraw/zinc/82/85/74/803828574.db2.gz NMALXEJTERHIMB-UHFFFAOYSA-N -2 0 299.257 3.370 20 0 CGADRL COc1cc(OC)c(-c2cc([S-])cc([S-])c2)cn1 ZINC001245610559 803852033 /nfs/dbraw/zinc/85/20/33/803852033.db2.gz BEPGCMSIEGITFE-UHFFFAOYSA-N -2 0 279.386 3.343 20 0 CGADRL CC(C)OCCCNc1cc([S-])cc([S-])c1 ZINC001168681845 807476018 /nfs/dbraw/zinc/47/60/18/807476018.db2.gz YJDDICFGXXWXEJ-UHFFFAOYSA-N -2 0 257.424 3.491 20 0 CGADRL O=S(=O)([N-]c1ccc(Cl)cc1[S-])c1ccco1 ZINC001186856732 810365970 /nfs/dbraw/zinc/36/59/70/810365970.db2.gz VMINDFWVZOHVBS-UHFFFAOYSA-N -2 0 289.765 3.023 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc(F)cc(F)c1 ZINC001239654852 820492194 /nfs/dbraw/zinc/49/21/94/820492194.db2.gz AINWIFNKTJVZQQ-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL COc1cc(-c2ccc([S-])c(F)c2)ccc1C(=O)[O-] ZINC001240745822 821296158 /nfs/dbraw/zinc/29/61/58/821296158.db2.gz KRVJELJFCNSFFE-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL O=C([O-])c1ccc(-c2nc[n-]c3nc(=S)sc2-3)s1 ZINC001240843015 821363906 /nfs/dbraw/zinc/36/39/06/821363906.db2.gz BKCBILUOAXKJES-UHFFFAOYSA-N -2 0 295.370 3.127 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc2ncccc21 ZINC001240936899 821427450 /nfs/dbraw/zinc/42/74/50/821427450.db2.gz CFMKZBDEMFYTFH-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL CC(C)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159492 822899666 /nfs/dbraw/zinc/89/96/66/822899666.db2.gz PSLPREUMHCCYNH-UHFFFAOYSA-N -2 0 285.299 3.268 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3ncccc3c2)c1 ZINC001242160639 822899985 /nfs/dbraw/zinc/89/99/85/822899985.db2.gz GQAWNHYPLNTBIX-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc2cc[nH]c21 ZINC001242361388 822966608 /nfs/dbraw/zinc/96/66/08/822966608.db2.gz ORFGCOGNGNOLLS-UHFFFAOYSA-N -2 0 281.267 3.231 20 0 CGADRL Cc1ccc(C(=O)[O-])cc1-c1ccc(C(=O)[O-])cc1 ZINC000075877755 369919284 /nfs/dbraw/zinc/91/92/84/369919284.db2.gz RUFHNIGYVLVDEO-UHFFFAOYSA-N -2 0 256.257 3.058 20 0 CGADRL O=S(=O)(Nc1cc(Cl)ccc1O)C1=CCCCC1 ZINC000281176574 195135695 /nfs/dbraw/zinc/13/56/95/195135695.db2.gz NHMXDIIMIDMDBC-UHFFFAOYSA-N -2 0 287.768 3.245 20 0 CGADRL C[C@@H](Nc1cc([S-])cc([S-])c1)c1cnccn1 ZINC001169538011 807659736 /nfs/dbraw/zinc/65/97/36/807659736.db2.gz OQEWWLSACRKWSQ-MRVPVSSYSA-N -2 0 263.391 3.227 20 0 CGADRL CC(C)CS(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1[O-] ZINC001259886738 807692246 /nfs/dbraw/zinc/69/22/46/807692246.db2.gz TXMYGILWCGXGMB-UHFFFAOYSA-N -2 0 298.191 3.097 20 0 CGADRL C=Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176244541 809654394 /nfs/dbraw/zinc/65/43/94/809654394.db2.gz LTSLHEGYCBSXSF-UHFFFAOYSA-N -2 0 283.283 3.470 20 0 CGADRL O=C([O-])c1cc(Nc2ccccc2[S-])cs1 ZINC001176437621 809697575 /nfs/dbraw/zinc/69/75/75/809697575.db2.gz VIDIAFKUWNREQW-UHFFFAOYSA-N -2 0 251.332 3.479 20 0 CGADRL O=C([O-])/C=C/c1ccccc1-c1csc(C(=O)[O-])c1 ZINC001206283628 813271128 /nfs/dbraw/zinc/27/11/28/813271128.db2.gz DTLNATGDQYCCNG-AATRIKPKSA-N -2 0 274.297 3.211 20 0 CGADRL COc1c(C(=O)[O-])cccc1-c1ccc([S-])cc1 ZINC001242923073 823173127 /nfs/dbraw/zinc/17/31/27/823173127.db2.gz VLPHWTCPMDBGQX-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL Cc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1F ZINC001239820705 820635179 /nfs/dbraw/zinc/63/51/79/820635179.db2.gz OQRKUSNJQVETJL-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL COc1ccc(-c2cc([S-])cc([S-])c2)cc1CO ZINC001241929963 822225093 /nfs/dbraw/zinc/22/50/93/822225093.db2.gz LPUMYCGBZHXHFI-UHFFFAOYSA-N -2 0 278.398 3.432 20 0 CGADRL Cc1noc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc12 ZINC001242163314 822900403 /nfs/dbraw/zinc/90/04/03/822900403.db2.gz SVYQKIOQTOADLW-UHFFFAOYSA-N -2 0 297.266 3.200 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccnc(C(F)F)c2)c1 ZINC001242161616 822900409 /nfs/dbraw/zinc/90/04/09/822900409.db2.gz DUQBZJYVLGTSGB-UHFFFAOYSA-N -2 0 293.225 3.083 20 0 CGADRL CC1(C)CC=C(c2ccc(P(=O)([O-])[O-])cc2)CC1 ZINC001242330430 822953106 /nfs/dbraw/zinc/95/31/06/822953106.db2.gz WATDEJJWPLHNQJ-UHFFFAOYSA-N -2 0 266.277 3.083 20 0 CGADRL O=C([O-])c1cc(Nc2ccc3cc[nH]c3c2)cc(C(=O)[O-])c1 ZINC001159691535 806152122 /nfs/dbraw/zinc/15/21/22/806152122.db2.gz VBYLAGPHHRPDEV-UHFFFAOYSA-N -2 0 296.282 3.308 20 0 CGADRL Cc1nc(Cl)ccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001245773538 803954857 /nfs/dbraw/zinc/95/48/57/803954857.db2.gz SQTGSXAHFRGXGX-UHFFFAOYSA-N -2 0 291.690 3.107 20 0 CGADRL Cc1ccsc1S(=O)(=O)[N-]c1ccccc1[S-] ZINC001260067519 807696552 /nfs/dbraw/zinc/69/65/52/807696552.db2.gz PETQZZLXZTYOCQ-UHFFFAOYSA-N -2 0 285.415 3.146 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2csc3ccccc32)cc1 ZINC001238895085 820151439 /nfs/dbraw/zinc/15/14/39/820151439.db2.gz VPGANRGVZHONOA-UHFFFAOYSA-N -2 0 290.280 3.371 20 0 CGADRL Cc1cccc(C)c1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001239596840 820443970 /nfs/dbraw/zinc/44/39/70/820443970.db2.gz XURFLSGRGMQZEW-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL COc1cc(-c2ccccc2/C=C/C(=O)[O-])ccc1C(=O)[O-] ZINC001240742811 821294230 /nfs/dbraw/zinc/29/42/30/821294230.db2.gz CQZFTMVZNJNYEL-VQHVLOKHSA-N -2 0 298.294 3.158 20 0 CGADRL COc1ccc(-c2cc([S-])cc([S-])c2)c(OC)n1 ZINC001241579383 821965251 /nfs/dbraw/zinc/96/52/51/821965251.db2.gz VCHARPXNOWPSKN-UHFFFAOYSA-N -2 0 279.386 3.343 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(n2)CCCC3)c1 ZINC001242159141 822899680 /nfs/dbraw/zinc/89/96/80/822899680.db2.gz AHLIKPWBRKBBOG-UHFFFAOYSA-N -2 0 297.310 3.024 20 0 CGADRL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ncccc1[O-] ZINC000354401543 380425541 /nfs/dbraw/zinc/42/55/41/380425541.db2.gz PNQCWRQTFQHITK-UHFFFAOYSA-N -2 0 299.113 3.052 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1c(O)cccc1Cl ZINC001244033131 803151609 /nfs/dbraw/zinc/15/16/09/803151609.db2.gz OQVOYSLKGJQPKU-UHFFFAOYSA-N -2 0 292.674 3.109 20 0 CGADRL CC(=O)Nc1ccc(-c2cc([S-])cc([S-])c2)cn1 ZINC001245514045 803781853 /nfs/dbraw/zinc/78/18/53/803781853.db2.gz AQCKFGICXAQCLT-UHFFFAOYSA-N -2 0 276.386 3.284 20 0 CGADRL [S-]c1cc([S-])cc(NCc2nccc(Cl)n2)c1 ZINC001170547549 807854408 /nfs/dbraw/zinc/85/44/08/807854408.db2.gz YRGLTBOSYVGPEI-UHFFFAOYSA-N -2 0 283.809 3.320 20 0 CGADRL O=C([O-])Cc1ccc(Nc2ccc([S-])cc2)cc1 ZINC001174954042 809214381 /nfs/dbraw/zinc/21/43/81/809214381.db2.gz YCJNOVGZMKVOES-UHFFFAOYSA-N -2 0 259.330 3.346 20 0 CGADRL O=C(C1CC1)N1CC=C(c2cc([S-])cc([S-])c2)CC1 ZINC001243028920 823218109 /nfs/dbraw/zinc/21/81/09/823218109.db2.gz VNWZURZICTYZEP-UHFFFAOYSA-N -2 0 291.441 3.290 20 0 CGADRL Cc1cc(=O)c2c(O[C@@H](C)C3=CC=C[CH]3)cc([O-])cc2o1 ZINC001234815809 818925637 /nfs/dbraw/zinc/92/56/37/818925637.db2.gz ZTSQCQBCILIGEL-NSHDSACASA-N -2 0 283.303 3.275 20 0 CGADRL CCc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001239589677 820437884 /nfs/dbraw/zinc/43/78/84/820437884.db2.gz TXUXECJMQPVRCM-UHFFFAOYSA-N -2 0 270.284 3.312 20 0 CGADRL CNC(=O)c1ccc(-c2cc([S-])cc([S-])c2)cc1 ZINC001240569813 821155897 /nfs/dbraw/zinc/15/58/97/821155897.db2.gz KQYQDVRWJHXHIE-UHFFFAOYSA-N -2 0 275.398 3.291 20 0 CGADRL COc1cc(C(=O)[O-])ccc1-c1cc(F)ccc1[S-] ZINC001240736080 821288921 /nfs/dbraw/zinc/28/89/21/821288921.db2.gz JGJAVUMIHWUKAI-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL CCOc1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001241114666 821568963 /nfs/dbraw/zinc/56/89/63/821568963.db2.gz FNFQUZSVWIOZDS-UHFFFAOYSA-N -2 0 286.283 3.149 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc3ccccc3cn2)c1 ZINC001242159639 822899642 /nfs/dbraw/zinc/89/96/42/822899642.db2.gz OMLYBJVYNBKAGL-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(c2)CCCN3)c1 ZINC001242162039 822900360 /nfs/dbraw/zinc/90/03/60/822900360.db2.gz BAWZXJDWOBITOF-UHFFFAOYSA-N -2 0 297.310 3.108 20 0 CGADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(Cl)no1 ZINC001449223381 937378675 /nfs/dbraw/zinc/37/86/75/937378675.db2.gz PNHYSQFKKFWIDE-UHFFFAOYSA-N -2 0 291.065 3.078 20 0 CGADRL COc1ccc(O)c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000172355534 346219400 /nfs/dbraw/zinc/21/94/00/346219400.db2.gz GBBRWSNQHRBHIY-UHFFFAOYSA-N -2 0 293.706 3.012 20 0 CGADRL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ncccc1[O-] ZINC000159241444 372121083 /nfs/dbraw/zinc/12/10/83/372121083.db2.gz IVZZVDSPWNSOBW-UHFFFAOYSA-N -2 0 299.113 3.052 20 0 CGADRL Cc1cc(C)c(C(=O)[O-])cc1/C=C\c1cc(C(=O)[O-])ccn1 ZINC000559938399 377109683 /nfs/dbraw/zinc/10/96/83/377109683.db2.gz CNRNJANUZTVTPD-ARJAWSKDSA-N -2 0 297.310 3.265 20 0 CGADRL O=C([O-])c1ccc(C(=O)Nc2cccc(Cl)c2[O-])s1 ZINC000740115333 572432824 /nfs/dbraw/zinc/43/28/24/572432824.db2.gz UIZSCQKRRRIVKJ-UHFFFAOYSA-N -2 0 297.719 3.058 20 0 CGADRL O=C([O-])c1cc(Nc2cc(F)cc(F)c2)cc(C(=O)[O-])c1 ZINC001176238053 809653488 /nfs/dbraw/zinc/65/34/88/809653488.db2.gz MAXRYWLGJULNDG-UHFFFAOYSA-N -2 0 293.225 3.105 20 0 CGADRL O=c1cc(Nc2ccc(Cl)c([O-])c2F)nc(Cl)[n-]1 ZINC001214796147 815453120 /nfs/dbraw/zinc/45/31/20/815453120.db2.gz HLWOULCQUFRBAX-UHFFFAOYSA-N -2 0 290.081 3.077 20 0 CGADRL CSc1ccc(F)cc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001205990766 813153534 /nfs/dbraw/zinc/15/35/34/813153534.db2.gz ZLMYDOVLRIKGFC-UHFFFAOYSA-N -2 0 298.275 3.018 20 0 CGADRL Cc1c(Nc2ccc(C(=O)[O-])cc2)cccc1C(=O)[O-] ZINC001216661306 815888827 /nfs/dbraw/zinc/88/88/27/815888827.db2.gz FBUWHMPOOXRFND-UHFFFAOYSA-N -2 0 271.272 3.135 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc2[nH]ccc21 ZINC001240711289 821266325 /nfs/dbraw/zinc/26/63/25/821266325.db2.gz UBWUUMHBTDFJJO-UHFFFAOYSA-N -2 0 281.267 3.231 20 0 CGADRL Cc1cc(C)c(-c2ccc(P(=O)([O-])[O-])cc2)cc1C ZINC001241635062 822013871 /nfs/dbraw/zinc/01/38/71/822013871.db2.gz FCXFSHAGJMZNFO-UHFFFAOYSA-N -2 0 276.272 3.082 20 0 CGADRL Cn1ccc2c1cccc2-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001241821609 822163131 /nfs/dbraw/zinc/16/31/31/822163131.db2.gz GNQKYWQSAUNNLY-UHFFFAOYSA-N -2 0 295.294 3.242 20 0 CGADRL O=C([O-])/C=C/c1ccccc1-c1cc(F)cc(C(=O)[O-])c1 ZINC001241828445 822167269 /nfs/dbraw/zinc/16/72/69/822167269.db2.gz AHHKVIRDAMHIQR-AATRIKPKSA-N -2 0 286.258 3.289 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2cnccc2c1 ZINC001242243446 822924840 /nfs/dbraw/zinc/92/48/40/822924840.db2.gz LKAYPXOPRUVYJK-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL COc1ccc(C(=O)[O-])cc1-c1ccccc1/C=C/C(=O)[O-] ZINC001242391147 822979013 /nfs/dbraw/zinc/97/90/13/822979013.db2.gz FOUCUPOHNBKHKC-VQHVLOKHSA-N -2 0 298.294 3.158 20 0 CGADRL CN(C)c1cncc(-c2cc([S-])cc([S-])c2)c1 ZINC001242529365 823021153 /nfs/dbraw/zinc/02/11/53/823021153.db2.gz WMDHTEFKFXNWJE-UHFFFAOYSA-N -2 0 262.403 3.392 20 0 CGADRL Cc1sc(/C=C/c2cc(F)c([O-])c(F)c2)nc1C(=O)[O-] ZINC000436784149 237183633 /nfs/dbraw/zinc/18/36/33/237183633.db2.gz OWPMBJMOYXGRIV-NSCUHMNNSA-N -2 0 297.282 3.304 20 0 CGADRL O=C([O-])c1csc(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000833342588 604707154 /nfs/dbraw/zinc/70/71/54/604707154.db2.gz GIUYUOSSKVQBCR-UHFFFAOYSA-N -2 0 297.719 3.058 20 0 CGADRL Cc1cc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)co1 ZINC000901030798 620826899 /nfs/dbraw/zinc/82/68/99/620826899.db2.gz IVAILJYUYUMEFF-UHFFFAOYSA-N -2 0 286.283 3.069 20 0 CGADRL Cc1nc2ccc(-c3c(C(=O)[O-])cccc3C(=O)[O-])cc2o1 ZINC001243960705 803102266 /nfs/dbraw/zinc/10/22/66/803102266.db2.gz MSOBNZUTHLYNBL-UHFFFAOYSA-N -2 0 297.266 3.200 20 0 CGADRL Cc1c([S-])ccc(-c2cnc(F)c(C(=O)[O-])c2)c1F ZINC001244756935 803521312 /nfs/dbraw/zinc/52/13/12/803521312.db2.gz YKKFVXDYNVIJSR-UHFFFAOYSA-N -2 0 281.283 3.322 20 0 CGADRL O=C([O-])c1ccccc1-n1[n-]c(-c2cccc(F)c2)cc1=O ZINC001245921126 804049368 /nfs/dbraw/zinc/04/93/68/804049368.db2.gz SIWZLHWRADCAEB-UHFFFAOYSA-N -2 0 298.273 3.082 20 0 CGADRL O=C([O-])c1cc(Nc2ccc([S-])cc2)cc(C(=O)[O-])c1 ZINC001176241969 809654350 /nfs/dbraw/zinc/65/43/50/809654350.db2.gz HRASJHPFDUVXAK-UHFFFAOYSA-N -3 0 289.312 3.115 20 0 CGADRL COc1c(Nc2ccccc2[S-])cccc1C(=O)[O-] ZINC001211037537 814714717 /nfs/dbraw/zinc/71/47/17/814714717.db2.gz VKPKQIFTAUJUHU-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL Cc1ccc(-c2ccccc2/C=C/C(=O)[O-])cc1C(=O)[O-] ZINC001243197715 823286727 /nfs/dbraw/zinc/28/67/27/823286727.db2.gz RMAZXXORJWFVDP-CMDGGOBGSA-N -2 0 282.295 3.458 20 0 CGADRL O=C([O-])c1ccc(-c2nc[n-]c3nc(=S)sc2-3)cc1 ZINC001236056058 819291139 /nfs/dbraw/zinc/29/11/39/819291139.db2.gz AJNWGWJBIFZZKA-UHFFFAOYSA-N -2 0 289.341 3.066 20 0 CGADRL Cc1cc(C)c(Cl)c(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001236549580 819534209 /nfs/dbraw/zinc/53/42/09/819534209.db2.gz XICLBUXDTBGLHD-UHFFFAOYSA-N -2 0 296.690 3.427 20 0 CGADRL O=C1COc2ccc(-c3cc([S-])cc([S-])c3)cc2N1 ZINC001239102116 820218424 /nfs/dbraw/zinc/21/84/24/820218424.db2.gz OYKZPCWGAGOOAY-UHFFFAOYSA-N -2 0 289.381 3.262 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc(F)cc1F ZINC001239678505 820513576 /nfs/dbraw/zinc/51/35/76/820513576.db2.gz YPNQSRCOCASNAI-UHFFFAOYSA-N -2 0 278.210 3.028 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2[nH]ccc2c1 ZINC001239695322 820527606 /nfs/dbraw/zinc/52/76/06/820527606.db2.gz LAICVADOGZVAEH-UHFFFAOYSA-N -2 0 281.267 3.231 20 0 CGADRL COc1cc(C(=O)[O-])ccc1-c1ccccc1/C=C/C(=O)[O-] ZINC001240737933 821290136 /nfs/dbraw/zinc/29/01/36/821290136.db2.gz SZYCWMKEVBALNO-VQHVLOKHSA-N -2 0 298.294 3.158 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C3CC3)cn2)c1 ZINC001242159565 822899661 /nfs/dbraw/zinc/89/96/61/822899661.db2.gz MTGVZKRQBYZIPD-UHFFFAOYSA-N -2 0 283.283 3.022 20 0 CGADRL CCc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163422 822900246 /nfs/dbraw/zinc/90/02/46/822900246.db2.gz VXFASJXBPLFBMC-UHFFFAOYSA-N -2 0 270.284 3.312 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2cccnc2c1 ZINC001242249952 822926977 /nfs/dbraw/zinc/92/69/77/822926977.db2.gz FFEICOHYEHPMMG-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL COc1ccc(C(=O)[O-])cc1-c1ccc([S-])c(F)c1 ZINC001242392227 822979643 /nfs/dbraw/zinc/97/96/43/822979643.db2.gz PXFNTQKXCWJCIK-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL O=C([O-])c1csc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000833342394 602183833 /nfs/dbraw/zinc/18/38/33/602183833.db2.gz KODIOUAYQSPLHW-UHFFFAOYSA-N -2 0 297.719 3.058 20 0 CGADRL Cc1c(F)ccc(F)c1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001244981225 803602728 /nfs/dbraw/zinc/60/27/28/803602728.db2.gz UYJHCBVYQBQUDF-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL O=C(Nc1cccc(Cl)c1[O-])c1cccc(F)c1[O-] ZINC001137933026 803800541 /nfs/dbraw/zinc/80/05/41/803800541.db2.gz RLZYAYZUGZTHKP-UHFFFAOYSA-N -2 0 281.670 3.143 20 0 CGADRL O=C(Nc1ccccc1[S-])c1cc(F)c([O-])cc1F ZINC001192872233 810825724 /nfs/dbraw/zinc/82/57/24/810825724.db2.gz IQZKQIYLBXNVJX-UHFFFAOYSA-N -2 0 281.283 3.211 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2cccc(C3CC3)c2)cc1 ZINC001236088464 819309230 /nfs/dbraw/zinc/30/92/30/819309230.db2.gz VTDCNZNRMRPMGS-UHFFFAOYSA-N -2 0 274.256 3.034 20 0 CGADRL Cc1ccc(C(=O)[O-])cc1-c1ccccc1/C=C/C(=O)[O-] ZINC001241001678 821480907 /nfs/dbraw/zinc/48/09/07/821480907.db2.gz HNHKMZGHGQQRKQ-CMDGGOBGSA-N -2 0 282.295 3.458 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cncc(C(F)F)c2)c1 ZINC001242162616 822900216 /nfs/dbraw/zinc/90/02/16/822900216.db2.gz YPNQHRANFUBCRI-UHFFFAOYSA-N -2 0 293.225 3.083 20 0 CGADRL CO/C=C/c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242163414 822900373 /nfs/dbraw/zinc/90/03/73/822900373.db2.gz XIPOYRJVSMWOSE-VOTSOKGWSA-N -2 0 298.294 3.367 20 0 CGADRL O=C([O-])c1ccc(-c2cc([S-])cc([S-])c2)cn1 ZINC001242338036 822954550 /nfs/dbraw/zinc/95/45/50/822954550.db2.gz LUEDYGWLZMNJOJ-UHFFFAOYSA-N -3 0 263.343 3.024 20 0 CGADRL C[C@@H](C(=O)[O-])c1ccc(-c2cccc(C(=O)[O-])c2)s1 ZINC001589497938 963994827 /nfs/dbraw/zinc/99/48/27/963994827.db2.gz PYTZAVYBSSVOOL-MRVPVSSYSA-N -2 0 276.313 3.301 20 0 CGADRL O=C(Nc1ccccc1O)c1cc(F)c([O-])c(Cl)c1 ZINC000184299174 374511960 /nfs/dbraw/zinc/51/19/60/374511960.db2.gz XERNZNRYWOMJTA-UHFFFAOYSA-N -2 0 281.670 3.143 20 0 CGADRL Cc1cccc(C)c1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001250547557 805686673 /nfs/dbraw/zinc/68/66/73/805686673.db2.gz MONOHINVXPHKKG-UHFFFAOYSA-N -2 0 270.284 3.367 20 0 CGADRL CSc1ccccc1[N-]C(=S)NC1=CC=C[CH]1 ZINC001249714858 805222242 /nfs/dbraw/zinc/22/22/42/805222242.db2.gz MWGGMHWYNQHANX-UHFFFAOYSA-N -2 0 261.395 3.353 20 0 CGADRL CCc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176236878 809653367 /nfs/dbraw/zinc/65/33/67/809653367.db2.gz FUQKKASSHRLBHE-UHFFFAOYSA-N -2 0 285.299 3.389 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1c(F)ccc(F)c1F ZINC001241048184 821521554 /nfs/dbraw/zinc/52/15/54/821521554.db2.gz VMQQVWBTNJHYOY-UHFFFAOYSA-N -2 0 296.200 3.167 20 0 CGADRL Cc1cscc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001241727451 822106933 /nfs/dbraw/zinc/10/69/33/822106933.db2.gz KORGGKOWRIPHAP-UHFFFAOYSA-N -2 0 262.286 3.120 20 0 CGADRL COc1ccc(-c2ccc([S-])c(F)c2)cc1C(=O)[O-] ZINC001241880311 822191479 /nfs/dbraw/zinc/19/14/79/822191479.db2.gz OMCPQNAGEOXVQO-UHFFFAOYSA-N -2 0 278.304 3.488 20 0 CGADRL Cn1ccc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc21 ZINC001242162088 822900402 /nfs/dbraw/zinc/90/04/02/822900402.db2.gz CYVYUTYIQSKKTQ-UHFFFAOYSA-N -2 0 295.294 3.242 20 0 CGADRL COc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1C ZINC001242161874 822900541 /nfs/dbraw/zinc/90/05/41/822900541.db2.gz MFPGQOXVJRBTDI-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc2ccncc21 ZINC001242371014 822971202 /nfs/dbraw/zinc/97/12/02/822971202.db2.gz OEOBSWBVIYDWON-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL COc1ccc(C(=O)[O-])cc1-c1ccc([S-])cc1 ZINC001242390276 822978924 /nfs/dbraw/zinc/97/89/24/822978924.db2.gz CYXJKLRRRDGTPO-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL Cc1cc(C)n(CCNc2cc([S-])cc([S-])c2)n1 ZINC001162152428 806515768 /nfs/dbraw/zinc/51/57/68/806515768.db2.gz ASQAZENDTWSPCK-UHFFFAOYSA-N -2 0 279.434 3.189 20 0 CGADRL Cc1cnc(CCNc2cc([S-])cc([S-])c2)nc1 ZINC001162244945 806540141 /nfs/dbraw/zinc/54/01/41/806540141.db2.gz KXGSNVCGTYQYHX-UHFFFAOYSA-N -2 0 277.418 3.017 20 0 CGADRL C[C@@]1(O)CC[C@@H](Nc2cc([S-])cc([S-])c2)CC1 ZINC001162360648 806565447 /nfs/dbraw/zinc/56/54/47/806565447.db2.gz PZFAWALJSFHPGG-GMZHKTEUSA-N -2 0 269.435 3.370 20 0 CGADRL COc1ncc(-c2cc([S-])cc([S-])c2)cc1O ZINC001244848463 803550106 /nfs/dbraw/zinc/55/01/06/803550106.db2.gz QQNZUWIRVPLDPE-UHFFFAOYSA-N -2 0 265.359 3.040 20 0 CGADRL COc1c(C)cccc1-c1c(C(=O)[O-])cccc1C(=O)[O-] ZINC001245362924 803713767 /nfs/dbraw/zinc/71/37/67/803713767.db2.gz CGHFMQAEGODCNM-UHFFFAOYSA-N -2 0 286.283 3.067 20 0 CGADRL O=C([O-])c1cncc(Nc2ccc(Cl)cc2[S-])c1 ZINC001175843158 809554079 /nfs/dbraw/zinc/55/40/79/809554079.db2.gz JIVZDTQVGWZODU-UHFFFAOYSA-N -2 0 280.736 3.466 20 0 CGADRL COc1cc(CO)ccc1-c1cc([S-])cc([S-])c1 ZINC001204812097 812744875 /nfs/dbraw/zinc/74/48/75/812744875.db2.gz RQMBGCGFNKBLJS-UHFFFAOYSA-N -2 0 278.398 3.432 20 0 CGADRL Nc1ccc(-c2cc([S-])cc([S-])c2)c(F)n1 ZINC001239833410 820646485 /nfs/dbraw/zinc/64/64/85/820646485.db2.gz RBNKJUCPCDZHIM-UHFFFAOYSA-N -2 0 252.339 3.047 20 0 CGADRL Cn1ccc2cc(-c3c(C(=O)[O-])cccc3C(=O)[O-])ccc21 ZINC001239941078 820722832 /nfs/dbraw/zinc/72/28/32/820722832.db2.gz XLBSUYZSNNFCQF-UHFFFAOYSA-N -2 0 295.294 3.242 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc2cccnc21 ZINC001240893640 821397253 /nfs/dbraw/zinc/39/72/53/821397253.db2.gz WBGKNPVOPUCJBT-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL CC(C)(C)c1cccc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001241307673 821719763 /nfs/dbraw/zinc/71/97/63/821719763.db2.gz JXERRQYJOCXZTI-UHFFFAOYSA-N -2 0 290.299 3.454 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc(Cl)c1 ZINC001242145045 822893021 /nfs/dbraw/zinc/89/30/21/822893021.db2.gz YOYIYPXOGYIHKD-UHFFFAOYSA-N -2 0 276.675 3.403 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(C(F)F)ccn2)c1 ZINC001242159100 822899570 /nfs/dbraw/zinc/89/95/70/822899570.db2.gz GNCUJEZUYGOZID-UHFFFAOYSA-N -2 0 293.225 3.083 20 0 CGADRL Cc1nc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2o1 ZINC001242161481 822899752 /nfs/dbraw/zinc/89/97/52/822899752.db2.gz ARNNOAQFLZFQQW-UHFFFAOYSA-N -2 0 297.266 3.200 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2c(F)ccc(F)c2F)c1 ZINC001242162621 822900315 /nfs/dbraw/zinc/90/03/15/822900315.db2.gz YWZGRDMAUNCFBK-UHFFFAOYSA-N -2 0 296.200 3.167 20 0 CGADRL Cc1cc(F)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1F ZINC001242162980 822900393 /nfs/dbraw/zinc/90/03/93/822900393.db2.gz NYKKNPGZRURXGJ-UHFFFAOYSA-N -2 0 292.237 3.337 20 0 CGADRL CCOc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242161866 822900479 /nfs/dbraw/zinc/90/04/79/822900479.db2.gz LUHPNHQYQORAQT-UHFFFAOYSA-N -2 0 286.283 3.149 20 0 CGADRL Cc1sc(/C=C/c2cccc(C(=O)[O-])c2)nc1C(=O)[O-] ZINC000352035370 219296615 /nfs/dbraw/zinc/29/66/15/219296615.db2.gz PXGXLZXQEYOJFD-AATRIKPKSA-N -2 0 289.312 3.018 20 0 CGADRL O=C([O-])c1cccc(-n2[n-]c(C3CCCCC3)cc2=O)c1 ZINC001261891019 807799296 /nfs/dbraw/zinc/79/92/96/807799296.db2.gz WKRJQTUDDBUJAD-UHFFFAOYSA-N -2 0 286.331 3.058 20 0 CGADRL COc1ccc(C(N)=O)cc1-c1cc([S-])cc([S-])c1 ZINC001205226892 812911411 /nfs/dbraw/zinc/91/14/11/812911411.db2.gz ZBMKOCJPIBCDCR-UHFFFAOYSA-N -2 0 291.397 3.039 20 0 CGADRL O=C([O-])/C=C/c1ccccc1-c1ccsc1C(=O)[O-] ZINC001205585069 813011886 /nfs/dbraw/zinc/01/18/86/813011886.db2.gz APKLDAQTYSTTAZ-AATRIKPKSA-N -2 0 274.297 3.211 20 0 CGADRL S=c1nc2[n-]cnc(-c3cccc([S-])c3)c-2s1 ZINC001242865025 823157847 /nfs/dbraw/zinc/15/78/47/823157847.db2.gz RQKIDHISWCRLQY-UHFFFAOYSA-N -2 0 277.399 3.331 20 0 CGADRL Cc1ccc2nc(=O)[n-]c(O[C@@H](C)C3=CC=C[CH]3)c2c1 ZINC001227351215 817630655 /nfs/dbraw/zinc/63/06/55/817630655.db2.gz PLFNZPCKUZFVAH-NSHDSACASA-N -2 0 267.308 3.112 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2occc2c1 ZINC001240424072 821045451 /nfs/dbraw/zinc/04/54/51/821045451.db2.gz RBQLJXGVYFPYCS-UHFFFAOYSA-N -2 0 282.251 3.496 20 0 CGADRL CCc1c(C)cc(-c2ccc(P(=O)([O-])[O-])cc2)cc1C ZINC001240740446 821292463 /nfs/dbraw/zinc/29/24/63/821292463.db2.gz OXXIPHBRSYRVKS-UHFFFAOYSA-N -2 0 290.299 3.336 20 0 CGADRL Cc1c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cncc1C1CC1 ZINC001242163584 822900869 /nfs/dbraw/zinc/90/08/69/822900869.db2.gz ARPSTSHMDNIWIY-UHFFFAOYSA-N -2 0 297.310 3.331 20 0 CGADRL CNc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C ZINC001242164076 822901092 /nfs/dbraw/zinc/90/10/92/822901092.db2.gz AHMQDUONFDNBCC-UHFFFAOYSA-N -2 0 285.299 3.100 20 0 CGADRL CCc1ccc(C(=O)Nc2ccc(F)c(F)c2[O-])c(O)c1 ZINC001570132887 961913855 /nfs/dbraw/zinc/91/38/55/961913855.db2.gz ZFPYJEOBYCZYDQ-UHFFFAOYSA-N -2 0 293.269 3.191 20 0 CGADRL Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1F ZINC001250623173 805733820 /nfs/dbraw/zinc/73/38/20/805733820.db2.gz GPUJPLHKIDGVDE-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL O=C([O-])c1cccc(-n2[n-]c(-c3ccc(F)cc3)cc2=O)c1 ZINC001245916830 804043005 /nfs/dbraw/zinc/04/30/05/804043005.db2.gz AARYQDUQAUJBCX-UHFFFAOYSA-N -2 0 298.273 3.082 20 0 CGADRL COc1cc(Nc2ccccc2[S-])cc(C(=O)[O-])c1 ZINC001213591173 815306964 /nfs/dbraw/zinc/30/69/64/815306964.db2.gz UIMHUKZIGGXULH-UHFFFAOYSA-N -2 0 275.329 3.426 20 0 CGADRL O=C(Nc1ccccc1[S-])c1c(F)ccc(F)c1[O-] ZINC001192705929 810818605 /nfs/dbraw/zinc/81/86/05/810818605.db2.gz GGDCTQUVHQOODI-UHFFFAOYSA-N -2 0 281.283 3.211 20 0 CGADRL COc1cc(Nc2cccc(CC(=O)[O-])c2)ccc1[S-] ZINC001210074631 814275672 /nfs/dbraw/zinc/27/56/72/814275672.db2.gz LFELCMDQNGTDKY-UHFFFAOYSA-N -2 0 289.356 3.355 20 0 CGADRL COc1ccc(CO)cc1-c1cc([S-])cc([S-])c1 ZINC001243173986 823272969 /nfs/dbraw/zinc/27/29/69/823272969.db2.gz HNASOLAHMLDBSR-UHFFFAOYSA-N -2 0 278.398 3.432 20 0 CGADRL Cn1ccc2ccc(-c3c(C(=O)[O-])cccc3C(=O)[O-])cc21 ZINC001240574008 821160214 /nfs/dbraw/zinc/16/02/14/821160214.db2.gz OFSMMUHBTXFZQF-UHFFFAOYSA-N -2 0 295.294 3.242 20 0 CGADRL CC(C)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242158956 822899810 /nfs/dbraw/zinc/89/98/10/822899810.db2.gz FEUYVALDLCYNJG-UHFFFAOYSA-N -2 0 285.299 3.268 20 0 CGADRL CCc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242161228 822899909 /nfs/dbraw/zinc/89/99/09/822899909.db2.gz RDDGVIIQJIRECQ-UHFFFAOYSA-N -2 0 270.284 3.312 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(F)c(F)c2F)c1 ZINC001242161894 822900138 /nfs/dbraw/zinc/90/01/38/822900138.db2.gz NNERGSSWXNFXQL-UHFFFAOYSA-N -2 0 296.200 3.167 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc([S-])c(F)c2)c1 ZINC001242163472 822900424 /nfs/dbraw/zinc/90/04/24/822900424.db2.gz ZDNYOUSUBHEANE-UHFFFAOYSA-N -3 0 292.287 3.178 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3c2OCCC3)c1 ZINC001242163810 822900935 /nfs/dbraw/zinc/90/09/35/822900935.db2.gz MPYSXJKOANHTTD-UHFFFAOYSA-N -2 0 298.294 3.075 20 0 CGADRL O=C(Nc1ccc(F)c(F)c1[O-])c1ccc(Cl)cc1[O-] ZINC001556934308 938206654 /nfs/dbraw/zinc/20/66/54/938206654.db2.gz FMVAOBJCWLYCKV-UHFFFAOYSA-N -2 0 299.660 3.282 20 0 CGADRL Cc1ccc(-c2ccc(C(=O)[O-])c(C3(C(=O)[O-])CC3)c2)o1 ZINC000565238596 322068977 /nfs/dbraw/zinc/06/89/77/322068977.db2.gz XGSSZDGCMNOVFV-UHFFFAOYSA-N -2 0 286.283 3.069 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3[nH]ccc3c2)c1 ZINC001250597464 805715684 /nfs/dbraw/zinc/71/56/84/805715684.db2.gz SMDAGJKLOXDCDA-UHFFFAOYSA-N -2 0 281.267 3.231 20 0 CGADRL Cc1ccc2c(cccc2-c2ccc(P(=O)([O-])[O-])cc2)n1 ZINC001243745044 802980104 /nfs/dbraw/zinc/98/01/04/802980104.db2.gz VSYQNRDOLBBKPM-UHFFFAOYSA-N -2 0 299.266 3.013 20 0 CGADRL COc1cc(C(=O)[O-])cc(-c2ccccc2/C=C/C(=O)[O-])c1 ZINC001244172290 803223014 /nfs/dbraw/zinc/22/30/14/803223014.db2.gz PUHUZHOBVOTCPU-VOTSOKGWSA-N -2 0 298.294 3.158 20 0 CGADRL NC(=O)c1c(F)cc(-c2cc([S-])cc([S-])c2)cc1F ZINC001244678439 803490421 /nfs/dbraw/zinc/49/04/21/803490421.db2.gz CWPMLMDFZYSQSZ-UHFFFAOYSA-N -2 0 297.351 3.308 20 0 CGADRL O=C([O-])c1cc(-c2cc([S-])cc([S-])c2)cnc1F ZINC001244755828 803521216 /nfs/dbraw/zinc/52/12/16/803521216.db2.gz NSLKGOPXDNHRCV-UHFFFAOYSA-N -3 0 281.333 3.163 20 0 CGADRL Cc1cccc(-c2cc(=O)n(-c3cccc(C(=O)[O-])c3)[n-]2)c1 ZINC001245919578 804046864 /nfs/dbraw/zinc/04/68/64/804046864.db2.gz IYIKRVYCRJFBLG-UHFFFAOYSA-N -2 0 294.310 3.252 20 0 CGADRL O=C([O-])c1ccccc1-n1[n-]c(C2CCCCC2)cc1=O ZINC001245937436 804066381 /nfs/dbraw/zinc/06/63/81/804066381.db2.gz WUMUXNYKLOJIPD-UHFFFAOYSA-N -2 0 286.331 3.324 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc([S-])c1 ZINC001242864111 823157151 /nfs/dbraw/zinc/15/71/51/823157151.db2.gz KPHDKEKRXGHYST-UHFFFAOYSA-N -3 0 274.297 3.039 20 0 CGADRL Cc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(F)c1 ZINC001241353533 821754833 /nfs/dbraw/zinc/75/48/33/821754833.db2.gz JMMDDQFBFXPCSD-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2ncccc2c1 ZINC001241398523 821795957 /nfs/dbraw/zinc/79/59/57/821795957.db2.gz GZMKHIPDZKIXRF-UHFFFAOYSA-N -2 0 293.278 3.298 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3scnc3c2)c1 ZINC001242160428 822899640 /nfs/dbraw/zinc/89/96/40/822899640.db2.gz DFUBTYVKKPPDHZ-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL Cc1nc2cccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2o1 ZINC001242163419 822900274 /nfs/dbraw/zinc/90/02/74/822900274.db2.gz XQQGIOVCUXVQDK-UHFFFAOYSA-N -2 0 297.266 3.200 20 0 CGADRL CCc1coc(CNc2cc([S-])cc([S-])c2)n1 ZINC001162140843 806513096 /nfs/dbraw/zinc/51/30/96/806513096.db2.gz QVRCMGMQXNQBIP-UHFFFAOYSA-N -2 0 266.391 3.427 20 0 CGADRL COc1cc(-c2cc([S-])cc([S-])c2)cnc1F ZINC001245078688 803634242 /nfs/dbraw/zinc/63/42/42/803634242.db2.gz HOQXJIQEMXANIG-UHFFFAOYSA-N -2 0 267.350 3.474 20 0 CGADRL COc1cc(Nc2ccc(C(=O)[O-])s2)ccc1[S-] ZINC001174808296 809168100 /nfs/dbraw/zinc/16/81/00/809168100.db2.gz PFKNWHUSDREVIG-UHFFFAOYSA-N -2 0 281.358 3.487 20 0 CGADRL O=C([O-])c1ccc(Nc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001175320593 809354047 /nfs/dbraw/zinc/35/40/47/809354047.db2.gz SQBCOMZUCXCVMQ-UHFFFAOYSA-N -2 0 291.690 3.480 20 0 CGADRL O=C(Nc1ccccc1[S-])c1ccc(F)c([O-])c1F ZINC001193785292 810955437 /nfs/dbraw/zinc/95/54/37/810955437.db2.gz ZEEYTWFFANZYNM-UHFFFAOYSA-N -2 0 281.283 3.211 20 0 CGADRL O=C([O-])Cc1ccc(F)c(Nc2ccc([S-])cc2)c1 ZINC001216680981 815892609 /nfs/dbraw/zinc/89/26/09/815892609.db2.gz JHHLJOQEIQHSLB-UHFFFAOYSA-N -2 0 277.320 3.485 20 0 CGADRL COc1nccc(-c2cc([S-])cc([S-])c2)c1OC ZINC001242961220 823190733 /nfs/dbraw/zinc/19/07/33/823190733.db2.gz KBPPZYNFNAKATE-UHFFFAOYSA-N -2 0 279.386 3.343 20 0 CGADRL O=C([O-])/C=C/c1ccccc1-c1ccc(CC(=O)[O-])cc1 ZINC001240975589 821459170 /nfs/dbraw/zinc/45/91/70/821459170.db2.gz SKUJJLZOASJYJJ-MDZDMXLPSA-N -2 0 282.295 3.079 20 0 CGADRL COc1cc(-c2cc([S-])cc([S-])c2)c(F)cn1 ZINC001241664303 822041348 /nfs/dbraw/zinc/04/13/48/822041348.db2.gz ZLNQANQTQQRNJF-UHFFFAOYSA-N -2 0 267.350 3.474 20 0 CGADRL COc1ccc(C(=O)[O-])cc1-c1cccc([S-])c1 ZINC001242390297 822978941 /nfs/dbraw/zinc/97/89/41/822978941.db2.gz FIYYHYXEDFRJKI-UHFFFAOYSA-N -2 0 260.314 3.349 20 0 CGADRL Cc1sc(/C=C\c2cccc(C(=O)[O-])c2)nc1C(=O)[O-] ZINC000352035371 379752565 /nfs/dbraw/zinc/75/25/65/379752565.db2.gz PXGXLZXQEYOJFD-WAYWQWQTSA-N -2 0 289.312 3.018 20 0 CGADRL Cc1cocc1-c1ccc(C(=O)[O-])c(C2(C(=O)[O-])CC2)c1 ZINC000572498336 322340841 /nfs/dbraw/zinc/34/08/41/322340841.db2.gz PMLWTYFVMZGWJT-UHFFFAOYSA-N -2 0 286.283 3.069 20 0 CGADRL O=P([O-])([O-])c1ccc(-c2c(F)cccc2C2CC2)cc1 ZINC001244123232 803198253 /nfs/dbraw/zinc/19/82/53/803198253.db2.gz NYGOFJHRJRJSKI-UHFFFAOYSA-N -2 0 292.246 3.173 20 0 CGADRL O=C([O-])Cc1ccc(F)c(-c2ccc([S-])cc2)c1 ZINC001245317177 803698902 /nfs/dbraw/zinc/69/89/02/803698902.db2.gz SSXLJGKJGHKASM-UHFFFAOYSA-N -2 0 262.305 3.409 20 0 CGADRL Cc1ccccc1-c1cc(=O)n(-c2cccc(C(=O)[O-])c2)[n-]1 ZINC001245936117 804068434 /nfs/dbraw/zinc/06/84/34/804068434.db2.gz MNCVSTSRKOUMRU-UHFFFAOYSA-N -2 0 294.310 3.252 20 0 CGADRL O=C([O-])c1ccc(Nc2ccccc2[S-])s1 ZINC001174810787 809169076 /nfs/dbraw/zinc/16/90/76/809169076.db2.gz SWPOCNUXWGLSKX-UHFFFAOYSA-N -2 0 251.332 3.479 20 0 CGADRL O=C([O-])c1ccc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC001176589644 809725545 /nfs/dbraw/zinc/72/55/45/809725545.db2.gz WMQZPLIOOYHZHD-UHFFFAOYSA-N -2 0 297.310 3.245 20 0 CGADRL O=S(=O)([N-]c1c([S-])cccc1Cl)c1ccco1 ZINC001186863151 810367916 /nfs/dbraw/zinc/36/79/16/810367916.db2.gz KKZQRZIEPOECQN-UHFFFAOYSA-N -2 0 289.765 3.023 20 0 CGADRL O=C([O-])c1ccc(Nc2c([S-])cccc2Cl)cn1 ZINC001210176740 814322015 /nfs/dbraw/zinc/32/20/15/814322015.db2.gz GVUXIEQQTIUTHL-UHFFFAOYSA-N -2 0 280.736 3.466 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1coc2ccccc21 ZINC001239056900 820208531 /nfs/dbraw/zinc/20/85/31/820208531.db2.gz VETONKBTUZMGGL-UHFFFAOYSA-N -2 0 282.251 3.496 20 0 CGADRL CS(=O)(=O)c1ccccc1-c1cc([S-])cc([S-])c1 ZINC001239776592 820594961 /nfs/dbraw/zinc/59/49/61/820594961.db2.gz TUECWHGVRNXPDT-UHFFFAOYSA-N -2 0 296.438 3.335 20 0 CGADRL [S-]c1cc([S-])cc(-c2cnn(C3CCOCC3)c2)c1 ZINC001240091864 820821171 /nfs/dbraw/zinc/82/11/71/820821171.db2.gz CCHLOSHIYOUVRY-UHFFFAOYSA-N -2 0 292.429 3.479 20 0 CGADRL O=C([O-])/C=C/c1ccccc1-c1ccc(C(=O)[O-])s1 ZINC001240847714 821368040 /nfs/dbraw/zinc/36/80/40/821368040.db2.gz ZKLOSJSKVIDZJC-VMPITWQZSA-N -2 0 274.297 3.211 20 0 CGADRL Cc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1F ZINC001241279891 821698466 /nfs/dbraw/zinc/69/84/66/821698466.db2.gz XZGLQKYATJTFQJ-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL CCc1sc(C(=O)[O-])cc1-c1cncc(C(=O)[O-])c1C ZINC001597819807 989458224 /nfs/dbraw/zinc/45/82/24/989458224.db2.gz HRPKERXBAFGJLF-UHFFFAOYSA-N -2 0 291.328 3.077 20 0 CGADRL Cc1ccc(F)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001250627053 805736124 /nfs/dbraw/zinc/73/61/24/805736124.db2.gz DGLHSQYWVYXTOR-UHFFFAOYSA-N -2 0 274.247 3.198 20 0 CGADRL FC(F)(F)OCCNc1cc([S-])cc([S-])c1 ZINC001168174726 807334936 /nfs/dbraw/zinc/33/49/36/807334936.db2.gz NBWNYXHBQTYVPG-UHFFFAOYSA-N -2 0 269.313 3.212 20 0 CGADRL Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)c1 ZINC001176238598 809653302 /nfs/dbraw/zinc/65/33/02/809653302.db2.gz RJZIEDNYCGSNQF-UHFFFAOYSA-N -2 0 289.262 3.274 20 0 CGADRL Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1F ZINC001176237597 809653423 /nfs/dbraw/zinc/65/34/23/809653423.db2.gz KIWLMVAZHHIAOH-UHFFFAOYSA-N -2 0 289.262 3.274 20 0 CGADRL CC(=O)c1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176242178 809654511 /nfs/dbraw/zinc/65/45/11/809654511.db2.gz PMGPDGWZXYSIEE-UHFFFAOYSA-N -2 0 299.282 3.029 20 0 CGADRL O=S(=O)([N-]c1ccc(Cl)cc1[S-])c1ccoc1 ZINC001188610059 810493193 /nfs/dbraw/zinc/49/31/93/810493193.db2.gz GPTYHDHGJIAGAY-UHFFFAOYSA-N -2 0 289.765 3.023 20 0 CGADRL Cc1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc(C)c1O ZINC001243304150 823335438 /nfs/dbraw/zinc/33/54/38/823335438.db2.gz ACSWXHHPYLTPNH-UHFFFAOYSA-N -2 0 286.283 3.072 20 0 CGADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc2cc[nH]c2c1 ZINC001240795904 821338818 /nfs/dbraw/zinc/33/88/18/821338818.db2.gz CCBMLHNOZFTPNV-UHFFFAOYSA-N -2 0 281.267 3.231 20 0 CGADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3nscc3c2)c1 ZINC001242163488 822900465 /nfs/dbraw/zinc/90/04/65/822900465.db2.gz XDRVQPXSHADHNH-UHFFFAOYSA-N -2 0 299.307 3.360 20 0 CGADRL C=COc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242163616 822900913 /nfs/dbraw/zinc/90/09/13/822900913.db2.gz CDBOOVIHZJZLNT-UHFFFAOYSA-N -2 0 284.267 3.272 20 0 CGADRL