smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC001594281215 957745534 /nfs/dbraw/zinc/74/55/34/957745534.db2.gz ACYFRIVLMSAGLY-ZDUSSCGKSA-N -2 0 326.377 3.517 20 30 EHEDRL Cc1cc(C#N)cc(Cl)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241798 1132884576 /nfs/dbraw/zinc/88/45/76/1132884576.db2.gz YDQCTPJCFXEVRC-UHFFFAOYSA-N -2 0 330.727 3.660 20 30 EHEDRL O=C([O-])c1cccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)c1 ZINC000806558499 1135459027 /nfs/dbraw/zinc/45/90/27/1135459027.db2.gz DZCJGNRUJXJJIP-BQYQJAHWSA-N -2 0 330.723 3.633 20 30 EHEDRL CCC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(C(=O)[O-])cc1 ZINC000760219974 1035846714 /nfs/dbraw/zinc/84/67/14/1035846714.db2.gz VDJULBKBPCIZHT-UHFFFAOYSA-N -2 0 346.770 3.963 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)s1 ZINC000787170184 1133966951 /nfs/dbraw/zinc/96/69/51/1133966951.db2.gz UTPDBOZOSHQYER-SNAWJCMRSA-N -2 0 336.752 3.694 20 30 EHEDRL Cc1cc(C(=O)[O-])cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c1 ZINC001594281214 957745209 /nfs/dbraw/zinc/74/52/09/957745209.db2.gz ACYFRIVLMSAGLY-CYBMUJFWSA-N -2 0 326.377 3.517 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c([O-])c1 ZINC000806558941 1135458873 /nfs/dbraw/zinc/45/88/73/1135458873.db2.gz PWPCBQPBZUFCPW-QHHAFSJGSA-N -2 0 347.710 3.548 20 30 EHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccc(C(=O)[O-])s1 ZINC000794937055 1137368103 /nfs/dbraw/zinc/36/81/03/1137368103.db2.gz FKJYOCCTBGTUPZ-ARJAWSKDSA-N -2 0 330.361 3.657 20 30 EHEDRL O=C([O-])C[C@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000739623941 600494739 /nfs/dbraw/zinc/49/47/39/600494739.db2.gz HNQBADQJZASGTA-VVSAQIQQSA-N -2 0 348.742 3.589 20 30 EHEDRL N#Cc1c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)sc2c1CCCC2 ZINC001176236213 1132882718 /nfs/dbraw/zinc/88/27/18/1132882718.db2.gz HUGQOUGNVZKYHK-UHFFFAOYSA-N -2 0 342.376 3.639 20 30 EHEDRL Cc1c(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@@H]2C)cccc1C(=O)[O-] ZINC000844622262 1137240270 /nfs/dbraw/zinc/24/02/70/1137240270.db2.gz BIWLPGHBEBGQPS-DGCLKSJQSA-N -2 0 332.400 3.618 20 30 EHEDRL Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1NC(=O)[O-] ZINC000829904254 605345507 /nfs/dbraw/zinc/34/55/07/605345507.db2.gz JPOGKMCVUNYGED-GFCCVEGCSA-N -2 0 335.319 3.716 20 30 EHEDRL O=C([O-])CCOc1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000588480251 1023896257 /nfs/dbraw/zinc/89/62/57/1023896257.db2.gz GTKYJBMUZPFHSE-CLTKARDFSA-N -2 0 346.766 3.795 20 30 EHEDRL O=C([O-])c1cccc(/C=C2\CC/C(=C\c3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000774104392 1133610658 /nfs/dbraw/zinc/61/06/58/1133610658.db2.gz IJEWSUUOEIZINW-KAVGSWPWSA-N -2 0 348.354 3.913 20 30 EHEDRL Cc1ccc(-c2nc(/C=C\C(=O)c3ccc(C(=O)[O-])cc3[O-])co2)cc1 ZINC000806559977 1135459420 /nfs/dbraw/zinc/45/94/20/1135459420.db2.gz HIXKFCLYKIQUKD-CLFYSBASSA-N -2 0 349.342 3.950 20 30 EHEDRL N#CC(=C([O-])c1ccc(C(=O)[O-])s1)c1nc2cc(F)ccc2s1 ZINC000739075653 600127186 /nfs/dbraw/zinc/12/71/86/600127186.db2.gz UMRZQDQKTMXBBW-QMMMGPOBSA-N -2 0 346.364 3.685 20 30 EHEDRL Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1NC(=O)[O-] ZINC000830175922 604226875 /nfs/dbraw/zinc/22/68/75/604226875.db2.gz JERVARSOMQLZTG-GFCCVEGCSA-N -2 0 335.319 3.716 20 30 EHEDRL C[C@@H](Oc1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1)C(=O)[O-] ZINC000794713048 978817632 /nfs/dbraw/zinc/81/76/32/978817632.db2.gz QBKSTMKKWHSULA-LAUIRUGDSA-N -2 0 346.766 3.794 20 30 EHEDRL N#Cc1c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)sc2ccccc12 ZINC001176237936 1132883341 /nfs/dbraw/zinc/88/33/41/1132883341.db2.gz DYQJQTDIHQADJK-UHFFFAOYSA-N -2 0 338.344 3.913 20 30 EHEDRL N#Cc1ccc2ccccc2c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241690 1132883944 /nfs/dbraw/zinc/88/39/44/1132883944.db2.gz RLBZLXKJWQMMFU-UHFFFAOYSA-N -2 0 332.315 3.851 20 30 EHEDRL CC(C)(C)c1cnc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])s1 ZINC000790599658 1134441009 /nfs/dbraw/zinc/44/10/09/1134441009.db2.gz AMPNNANJKICWKH-VOTSOKGWSA-N -2 0 331.393 3.741 20 30 EHEDRL N#Cc1c(F)ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])c1Cl ZINC000806558809 1135459576 /nfs/dbraw/zinc/45/95/76/1135459576.db2.gz MLBWSVXAXQAQCY-ZZXKWVIFSA-N -2 0 345.713 3.651 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)s1 ZINC000787170183 1133966854 /nfs/dbraw/zinc/96/68/54/1133966854.db2.gz UTPDBOZOSHQYER-PLNGDYQASA-N -2 0 336.752 3.694 20 30 EHEDRL O=C([O-])c1cccc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1Cl ZINC000787183066 1133970080 /nfs/dbraw/zinc/97/00/80/1133970080.db2.gz GYVBJXVIBBWERL-GQCTYLIASA-N -2 0 347.710 3.548 20 30 EHEDRL O=C([O-])C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000833265070 601366156 /nfs/dbraw/zinc/36/61/56/601366156.db2.gz RVQMPBLICVWMGV-WXARJGPPSA-N -2 0 348.742 3.589 20 30 EHEDRL COc1cc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC000119268379 1018133755 /nfs/dbraw/zinc/13/37/55/1018133755.db2.gz OBBFSXPVSVIDNF-DUXPYHPUSA-N -2 0 349.726 3.564 20 30 EHEDRL O=C([O-])c1cccc(/C=C2\CC/C(=C/c3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000774104389 1133610679 /nfs/dbraw/zinc/61/06/79/1133610679.db2.gz IJEWSUUOEIZINW-CKOAPEAFSA-N -2 0 348.354 3.913 20 30 EHEDRL CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cc(C(=O)[O-])cs1 ZINC000814689661 1136494984 /nfs/dbraw/zinc/49/49/84/1136494984.db2.gz CHMLTDXJGNEECD-UHFFFAOYSA-N -2 0 338.772 3.634 20 30 EHEDRL Cc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc(C)c1OCC(=O)[O-] ZINC000738378387 599891504 /nfs/dbraw/zinc/89/15/04/599891504.db2.gz FIPKGZVPZLMLJC-HYXAFXHYSA-N -2 0 344.338 3.508 20 30 EHEDRL CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(C(=O)[O-])cc1 ZINC000825808837 604633138 /nfs/dbraw/zinc/63/31/38/604633138.db2.gz GCTMCCKPRSNINP-UHFFFAOYSA-N -2 0 332.743 3.573 20 30 EHEDRL O=C([O-])c1cc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)cs1 ZINC000588559478 1028309844 /nfs/dbraw/zinc/30/98/44/1028309844.db2.gz OGFUQIPDLDMTOY-PLNGDYQASA-N -2 0 336.752 3.694 20 30 EHEDRL O=C([O-])C[C@@H](/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000739623932 600494904 /nfs/dbraw/zinc/49/49/04/600494904.db2.gz HNQBADQJZASGTA-AGZSBTIMSA-N -2 0 348.742 3.589 20 30 EHEDRL N#Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c2ccccc12 ZINC001176237487 1132883430 /nfs/dbraw/zinc/88/34/30/1132883430.db2.gz IESAMRSYLFZNCW-UHFFFAOYSA-N -2 0 332.315 3.851 20 30 EHEDRL CC(C)(C)c1cnc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])s1 ZINC000806558844 1135459016 /nfs/dbraw/zinc/45/90/16/1135459016.db2.gz NHVWJHBPZUEPHG-SREVYHEPSA-N -2 0 331.393 3.741 20 30 EHEDRL C[C@H](Oc1ccc(/C=C\C(=O)c2cc(Cl)ccc2[O-])cc1)C(=O)[O-] ZINC000794700280 1137235961 /nfs/dbraw/zinc/23/59/61/1137235961.db2.gz IPOPPLFDFBUBOK-OHYQPGSNSA-N -2 0 346.766 3.794 20 30 EHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000794937412 1137367751 /nfs/dbraw/zinc/36/77/51/1137367751.db2.gz IOCAXRMPCZEYNE-BQYQJAHWSA-N -2 0 338.359 3.525 20 30 EHEDRL O=C([O-])c1ccccc1NN=Cc1cc(Cl)c([O-])cc1Cl ZINC000758098431 605099370 /nfs/dbraw/zinc/09/93/70/605099370.db2.gz CSDZACHGZIWSGO-UHFFFAOYSA-N -2 0 325.151 3.843 20 30 EHEDRL CCC(CC)(C(=O)[O-])C(=O)N(O)Cc1cc(Cl)cc(Cl)c1 ZINC001603520169 973545753 /nfs/dbraw/zinc/54/57/53/973545753.db2.gz QWFBLAZJRRHHEO-UHFFFAOYSA-N -2 0 334.199 3.602 20 30 EHEDRL N#Cc1c(F)ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])c1Cl ZINC000761477806 1036133328 /nfs/dbraw/zinc/13/33/28/1036133328.db2.gz AHWTZAMGJRIYQF-DJWKRKHSSA-N -2 0 345.713 3.651 20 30 EHEDRL O=C([O-])c1cccc(/C=C\C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1Cl ZINC000787183067 1133970183 /nfs/dbraw/zinc/97/01/83/1133970183.db2.gz GYVBJXVIBBWERL-XQRVVYSFSA-N -2 0 347.710 3.548 20 30 EHEDRL C[C@@H](Oc1ccc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cc1)C(=O)[O-] ZINC000794713056 978817818 /nfs/dbraw/zinc/81/78/18/978817818.db2.gz QBKSTMKKWHSULA-SOZJPDODSA-N -2 0 346.766 3.794 20 30 EHEDRL O=C([O-])c1cccc(/C=C\C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1Cl ZINC000588559337 1028321930 /nfs/dbraw/zinc/32/19/30/1028321930.db2.gz GTXQPZVVYAAISS-XQRVVYSFSA-N -2 0 347.710 3.548 20 30 EHEDRL CCOc1ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1F ZINC000806558789 1135459487 /nfs/dbraw/zinc/45/94/87/1135459487.db2.gz MCLVWKHKMNZNQO-CLTKARDFSA-N -2 0 330.311 3.524 20 30 EHEDRL O=C(CCC(=O)C1=CC=C[CH]1)Nc1ccc2[n-]c(=S)sc2c1 ZINC001184245699 1133914721 /nfs/dbraw/zinc/91/47/21/1133914721.db2.gz XERVLYKHYPSVJA-UHFFFAOYSA-N -2 0 329.426 3.573 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)c([O-])c1 ZINC000806558940 1135458949 /nfs/dbraw/zinc/45/89/49/1135458949.db2.gz PWPCBQPBZUFCPW-KXFIGUGUSA-N -2 0 347.710 3.548 20 30 EHEDRL COc1ccc(C(=O)/C=C/c2cc(Cl)c(O)c(OC)c2)c([O-])c1 ZINC000156620347 1035549736 /nfs/dbraw/zinc/54/97/36/1035549736.db2.gz VHYNETSRRSURNZ-ZZXKWVIFSA-N -2 0 334.755 3.665 20 30 EHEDRL COc1ccc2oc(/C=C\C(=O)c3cc(C(=O)[O-])ccc3[O-])cc2c1 ZINC000763292319 1121944687 /nfs/dbraw/zinc/94/46/87/1121944687.db2.gz MOQDKPIYAOUIAE-UTCJRWHESA-N -2 0 338.315 3.741 20 30 EHEDRL CCCCCCCCS(=O)(=O)[N-]c1cc(C#N)c(F)cc1[O-] ZINC001188018025 1134416681 /nfs/dbraw/zinc/41/66/81/1134416681.db2.gz QFOXIORSIVKKCJ-UHFFFAOYSA-N -2 0 328.409 3.505 20 30 EHEDRL O=C([O-])Nc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000740704238 602430929 /nfs/dbraw/zinc/43/09/29/602430929.db2.gz ZITGDVWVUPTPSU-UHFFFAOYSA-N -2 0 335.703 3.794 20 30 EHEDRL CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cc(C(=O)[O-])ccc1C ZINC001589016999 984999497 /nfs/dbraw/zinc/99/94/97/984999497.db2.gz RTMGUHQLYBJQQZ-UHFFFAOYSA-N -2 0 346.770 3.881 20 30 EHEDRL O=C([O-])c1cccc(/C=C/C(=O)c2cc(F)cc(F)c2[O-])c1Cl ZINC000787170777 1133965178 /nfs/dbraw/zinc/96/51/78/1133965178.db2.gz BWDQYCKDQNIWMJ-SNAWJCMRSA-N -2 0 338.693 3.918 20 30 EHEDRL O=C([O-])c1cccc(/C=C\C(=O)c2cc(F)cc(F)c2[O-])c1Cl ZINC000787170776 1133965645 /nfs/dbraw/zinc/96/56/45/1133965645.db2.gz BWDQYCKDQNIWMJ-PLNGDYQASA-N -2 0 338.693 3.918 20 30 EHEDRL N#Cc1ccc(C(=O)[O-])nc1/C=C\c1cc(Cl)c([O-])cc1Cl ZINC000436768796 1021217486 /nfs/dbraw/zinc/21/74/86/1021217486.db2.gz GVTXDYCCSXBQSV-IWQZZHSRSA-N -2 0 335.146 3.834 20 30 EHEDRL CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cc(C(=O)[O-])ccc1C ZINC000788408741 1134123728 /nfs/dbraw/zinc/12/37/28/1134123728.db2.gz ONYABBUQYUGWDM-UHFFFAOYSA-N -2 0 346.770 3.881 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])ccc2Cl)c([O-])c1 ZINC000806558384 1135458709 /nfs/dbraw/zinc/45/87/09/1135458709.db2.gz BAXCURYCRFTMNM-QHHAFSJGSA-N -2 0 347.710 3.548 20 30 EHEDRL Cc1c(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@@H]2C)cccc1C(=O)[O-] ZINC000844622264 1137240364 /nfs/dbraw/zinc/24/03/64/1137240364.db2.gz BIWLPGHBEBGQPS-YPMHNXCESA-N -2 0 332.400 3.618 20 30 EHEDRL O=C([O-])NC[C@@H]1CCC[C@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000740619734 603317487 /nfs/dbraw/zinc/31/74/87/603317487.db2.gz ICBWWVAKYYRDDK-KBJYVAKTSA-N -2 0 331.199 3.554 20 30 EHEDRL Cc1cc(C#N)c(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1Cl ZINC001176243689 1132885097 /nfs/dbraw/zinc/88/50/97/1132885097.db2.gz BKYORZHJBMJHKT-UHFFFAOYSA-N -2 0 330.727 3.660 20 30 EHEDRL CC(N=Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(CC(=O)[O-])cc1 ZINC000833386373 605158540 /nfs/dbraw/zinc/15/85/40/605158540.db2.gz ADBZNVIPUWKQAC-UHFFFAOYSA-N -2 0 346.770 3.501 20 30 EHEDRL O=C([O-])[C@H]1C/C(=C\c2cc(F)c([O-])c(F)c2)C(=O)c2ccccc21 ZINC000806560442 1135459535 /nfs/dbraw/zinc/45/95/35/1135459535.db2.gz LYCTXHMRKJDPBD-KADSFNECSA-N -2 0 330.286 3.509 20 30 EHEDRL Cc1c(Cl)cc(NC(=O)c2ccc(C#N)cc2[O-])c([O-])c1Cl ZINC001195758328 1135461180 /nfs/dbraw/zinc/46/11/80/1135461180.db2.gz NPEYDASDRBATSA-UHFFFAOYSA-N -2 0 337.162 3.837 20 30 EHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccc(C(=O)[O-])s1 ZINC000794937097 1137367981 /nfs/dbraw/zinc/36/79/81/1137367981.db2.gz FKJYOCCTBGTUPZ-ONEGZZNKSA-N -2 0 330.361 3.657 20 30 EHEDRL Cc1cc(C)c(C(=O)[O-])cc1C=NNc1ccc(Cl)c(C(=O)[O-])c1 ZINC000814689951 1136494668 /nfs/dbraw/zinc/49/46/68/1136494668.db2.gz NPQHEBCDHVAJAY-UHFFFAOYSA-N -2 0 346.770 3.799 20 30 EHEDRL Cc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc(C)c1OCC(=O)[O-] ZINC000738378386 599891547 /nfs/dbraw/zinc/89/15/47/599891547.db2.gz FIPKGZVPZLMLJC-HWKANZROSA-N -2 0 344.338 3.508 20 30 EHEDRL O=C([O-])NC[C@@H]1CCC[C@@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000740619733 603317675 /nfs/dbraw/zinc/31/76/75/603317675.db2.gz ICBWWVAKYYRDDK-CHKHGMNRSA-N -2 0 331.199 3.554 20 30 EHEDRL CC(C)(C)c1ncc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])s1 ZINC000757475172 1029690510 /nfs/dbraw/zinc/69/05/10/1029690510.db2.gz ZHNYZWCNSUVSPP-FNORWQNLSA-N -2 0 331.393 3.741 20 30 EHEDRL Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C#N)c2ccccc12 ZINC001193863020 1135197976 /nfs/dbraw/zinc/19/79/76/1135197976.db2.gz HHQOYSXHDDPRSI-UHFFFAOYSA-N -2 0 338.388 3.526 20 30 EHEDRL O=C([O-])c1cccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)c1 ZINC000806558500 1135458961 /nfs/dbraw/zinc/45/89/61/1135458961.db2.gz DZCJGNRUJXJJIP-FPLPWBNLSA-N -2 0 330.723 3.633 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C\c2ccc(OCC(F)F)cc2)c([O-])c1 ZINC000806560291 1135459571 /nfs/dbraw/zinc/45/95/71/1135459571.db2.gz KQSLABSBTMFQSV-BAQGIRSFSA-N -2 0 348.301 3.630 20 30 EHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000794946771 1137375849 /nfs/dbraw/zinc/37/58/49/1137375849.db2.gz QQAQHYRWCWMEJD-HYXAFXHYSA-N -2 0 341.319 3.512 20 30 EHEDRL N#Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c([O-])cc1F ZINC001148811828 1137435515 /nfs/dbraw/zinc/43/55/15/1137435515.db2.gz NCXRSMLCUHXYRT-UHFFFAOYSA-N -2 0 341.125 3.668 20 30 EHEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccc(Cl)nc2Cl)c1 ZINC000761481318 1036263333 /nfs/dbraw/zinc/26/33/33/1036263333.db2.gz WXXVLJRPZILAKV-DAFODLJHSA-N -2 0 338.146 3.688 20 30 EHEDRL O=C([O-])CCc1ccc(N=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000739754108 600146930 /nfs/dbraw/zinc/14/69/30/600146930.db2.gz ZMIPUGNXWYVRGQ-UHFFFAOYSA-N -2 0 348.742 3.722 20 30 EHEDRL O=C([O-])[C@H](Cc1ccccc1)/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000740057376 600154335 /nfs/dbraw/zinc/15/43/35/600154335.db2.gz YQPOLSOUHJNGBA-GPMKDSKKSA-N -2 0 338.190 3.814 20 30 EHEDRL N#CC(=C([O-])c1ccc(F)c(NC(=O)[O-])c1)c1nc2ccccc2o1 ZINC000740302610 602566142 /nfs/dbraw/zinc/56/61/42/602566142.db2.gz BSYPQWARLHJMGO-SNVBAGLBSA-N -2 0 339.282 3.547 20 30 EHEDRL O=C([O-])CCOc1ccc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000119268835 1018132859 /nfs/dbraw/zinc/13/28/59/1018132859.db2.gz GTKYJBMUZPFHSE-XVNBXDOJSA-N -2 0 346.766 3.795 20 30 EHEDRL Cc1ccc(C([O-])=C(C#N)c2nc3ccccc3o2)cc1NC(=O)[O-] ZINC000830175923 604226818 /nfs/dbraw/zinc/22/68/18/604226818.db2.gz JERVARSOMQLZTG-LBPRGKRZSA-N -2 0 335.319 3.716 20 30 EHEDRL CC(C)Oc1c(N=Cc2cc([N+](=O)[O-])ccc2[O-])cccc1C(=O)[O-] ZINC001591740870 975744455 /nfs/dbraw/zinc/74/44/55/975744455.db2.gz KVPYJZYGOSCBFI-UHFFFAOYSA-N -2 0 344.323 3.536 20 30 EHEDRL Cc1ccc(-c2ccc(C(CC(=O)[O-])CC(=O)[O-])cc2C)c(C#N)c1 ZINC000565236084 1018243055 /nfs/dbraw/zinc/24/30/55/1018243055.db2.gz BLXAXFIMHWSHCL-UHFFFAOYSA-N -2 0 337.375 3.875 20 30 EHEDRL CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cccc(C(=O)[O-])c1 ZINC000764647529 1127518638 /nfs/dbraw/zinc/51/86/38/1127518638.db2.gz BZQOAEVBKXHBJY-UHFFFAOYSA-N -2 0 332.743 3.573 20 30 EHEDRL Cc1c(Cl)c(C#N)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176244718 1132885559 /nfs/dbraw/zinc/88/55/59/1132885559.db2.gz PJCIBNSZDPLSCX-UHFFFAOYSA-N -2 0 330.727 3.660 20 30 EHEDRL Cc1ccc(S(=O)(=O)[N-]c2scc([O-])c2C#N)c2ccccc12 ZINC001193833036 1135190766 /nfs/dbraw/zinc/19/07/66/1135190766.db2.gz ITOXSNMOLNHWHD-UHFFFAOYSA-N -2 0 344.417 3.588 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C\c2cc([N+](=O)[O-])ccc2Cl)c([O-])c1 ZINC000806558383 1135458913 /nfs/dbraw/zinc/45/89/13/1135458913.db2.gz BAXCURYCRFTMNM-KXFIGUGUSA-N -2 0 347.710 3.548 20 30 EHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000794937414 1137367719 /nfs/dbraw/zinc/36/77/19/1137367719.db2.gz IOCAXRMPCZEYNE-FPLPWBNLSA-N -2 0 338.359 3.525 20 30 EHEDRL COc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)c([O-])c1 ZINC000588559597 1028340935 /nfs/dbraw/zinc/34/09/35/1028340935.db2.gz RZRBAKFKZYZQIX-YVMONPNESA-N -2 0 332.739 3.649 20 30 EHEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2nc3ccc(F)cc3s2)c1 ZINC000761478025 1036124198 /nfs/dbraw/zinc/12/41/98/1036124198.db2.gz DMJJUASHARKEDU-AATRIKPKSA-N -2 0 343.335 3.735 20 30 EHEDRL Cc1c(Cl)cc(NC(=O)c2ccc([O-])c(C#N)c2)c([O-])c1Cl ZINC001193505042 1135147890 /nfs/dbraw/zinc/14/78/90/1135147890.db2.gz IVIMPPQMEPJHAX-UHFFFAOYSA-N -2 0 337.162 3.837 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C\c2ccccc2OC(F)F)c([O-])c1 ZINC000806558582 1135459446 /nfs/dbraw/zinc/45/94/46/1135459446.db2.gz GUIBUSIVLYJZLH-VURMDHGXSA-N -2 0 334.274 3.588 20 30 EHEDRL C[C@H](Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])cc1)C(=O)[O-] ZINC000794700282 1137235906 /nfs/dbraw/zinc/23/59/06/1137235906.db2.gz IPOPPLFDFBUBOK-VUQUXZKVSA-N -2 0 346.766 3.794 20 30 EHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794944307 1137372905 /nfs/dbraw/zinc/37/29/05/1137372905.db2.gz AAURARGYGRFYNI-HYXAFXHYSA-N -2 0 341.319 3.512 20 30 EHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000794944299 1137372604 /nfs/dbraw/zinc/37/26/04/1137372604.db2.gz AAURARGYGRFYNI-HWKANZROSA-N -2 0 341.319 3.512 20 30 EHEDRL O=C([O-])Cc1ccc(C(=O)/C=C/c2cccc(C(=O)[O-])c2Cl)cc1 ZINC000787167604 1133964222 /nfs/dbraw/zinc/96/42/22/1133964222.db2.gz DLJUQFRPRLTNMG-CMDGGOBGSA-N -2 0 344.750 3.561 20 30 EHEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2cnc(-c3ccco3)s2)c1 ZINC000789141155 1134229335 /nfs/dbraw/zinc/22/93/35/1134229335.db2.gz BHPMVJTWTNPTPW-XQRVVYSFSA-N -2 0 341.344 3.703 20 30 EHEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2cnc(-c3ccco3)s2)c1 ZINC000789141154 1134229576 /nfs/dbraw/zinc/22/95/76/1134229576.db2.gz BHPMVJTWTNPTPW-GQCTYLIASA-N -2 0 341.344 3.703 20 30 EHEDRL COc1ccc(C(=O)/C=C/c2cc(C(=O)[O-])c(C)cc2C)c([O-])c1 ZINC000794941016 1137373575 /nfs/dbraw/zinc/37/35/75/1137373575.db2.gz IJWWFOZLXOEQJC-QPJJXVBHSA-N -2 0 326.348 3.612 20 30 EHEDRL C=CCC1(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2[O-])CC1 ZINC001190815014 1134753561 /nfs/dbraw/zinc/75/35/61/1134753561.db2.gz UVVABRRUUODMDB-UHFFFAOYSA-N -2 0 336.240 3.858 20 30 EHEDRL CC(C)(C)c1cnc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])s1 ZINC000806558845 1135458770 /nfs/dbraw/zinc/45/87/70/1135458770.db2.gz NHVWJHBPZUEPHG-VOTSOKGWSA-N -2 0 331.393 3.741 20 30 EHEDRL C[C@@H](Oc1cccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)c1)C(=O)[O-] ZINC000588480347 1023898181 /nfs/dbraw/zinc/89/81/81/1023898181.db2.gz NYHZGAUCXCYHLU-JPVGGKMYSA-N -2 0 346.766 3.794 20 30 EHEDRL Cc1c(N=NC2CC[C@H](C(=O)[O-])C(C)(C)[C@H]2C)cccc1C(=O)[O-] ZINC000844622263 1137240335 /nfs/dbraw/zinc/24/03/35/1137240335.db2.gz BIWLPGHBEBGQPS-WCQYABFASA-N -2 0 332.400 3.618 20 30 EHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1csc(C(=O)[O-])c1 ZINC000794942965 1137372394 /nfs/dbraw/zinc/37/23/94/1137372394.db2.gz UATUEXLKQZDVRS-ONEGZZNKSA-N -2 0 330.361 3.657 20 30 EHEDRL N#CC(=C([O-])c1ccc(C(=O)[O-])s1)c1nc2cc(F)ccc2s1 ZINC000739075647 600127130 /nfs/dbraw/zinc/12/71/30/600127130.db2.gz UMRZQDQKTMXBBW-MRVPVSSYSA-N -2 0 346.364 3.685 20 30 EHEDRL C[C@H](Oc1ccc(/C=C/C(=O)c2ccc([O-])c(Cl)c2)cc1)C(=O)[O-] ZINC000794713060 978817505 /nfs/dbraw/zinc/81/75/05/978817505.db2.gz QBKSTMKKWHSULA-VUQUXZKVSA-N -2 0 346.766 3.794 20 30 EHEDRL O=C([O-])NC[C@@H]1CCC[C@@H]1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000740619732 603317429 /nfs/dbraw/zinc/31/74/29/603317429.db2.gz ICBWWVAKYYRDDK-CBWVWYOVSA-N -2 0 331.199 3.554 20 30 EHEDRL N#Cc1ccc(C(=O)[O-])nc1/C=C/c1cc(Cl)c([O-])cc1Cl ZINC000436768795 1021218037 /nfs/dbraw/zinc/21/80/37/1021218037.db2.gz GVTXDYCCSXBQSV-HNQUOIGGSA-N -2 0 335.146 3.834 20 30 EHEDRL C[C@@H](Oc1ccc(/C=C\C(=O)c2cc(Cl)ccc2[O-])cc1)C(=O)[O-] ZINC000794700276 1137235843 /nfs/dbraw/zinc/23/58/43/1137235843.db2.gz IPOPPLFDFBUBOK-LAUIRUGDSA-N -2 0 346.766 3.794 20 30 EHEDRL O=C([O-])c1cccc(/C=C2/CC/C(=C/c3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000774104395 1133610458 /nfs/dbraw/zinc/61/04/58/1133610458.db2.gz IJEWSUUOEIZINW-VULZFCBJSA-N -2 0 348.354 3.913 20 30 EHEDRL O=C([O-])c1cc(NN=Cc2cccc(O)c2Cl)ccc1Cl ZINC000814688900 1136494912 /nfs/dbraw/zinc/49/49/12/1136494912.db2.gz PADPOYPBUZTPIK-UHFFFAOYSA-N -2 0 325.151 3.843 20 30 EHEDRL CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000763370967 604670147 /nfs/dbraw/zinc/67/01/47/604670147.db2.gz WQTZYALIIDBBHE-UHFFFAOYSA-N -2 0 340.166 3.628 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C/c2ccc(OCC(F)F)cc2)c([O-])c1 ZINC000806560293 1135459266 /nfs/dbraw/zinc/45/92/66/1135459266.db2.gz KQSLABSBTMFQSV-FPYGCLRLSA-N -2 0 348.301 3.630 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C/c2ccccc2OC(F)F)c([O-])c1 ZINC000806558581 1135459331 /nfs/dbraw/zinc/45/93/31/1135459331.db2.gz GUIBUSIVLYJZLH-SOFGYWHQSA-N -2 0 334.274 3.588 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C/c2cnc(-c3ccco3)s2)c([O-])c1 ZINC000806561112 1135460158 /nfs/dbraw/zinc/46/01/58/1135460158.db2.gz RJTHUGVRKNEWFD-GQCTYLIASA-N -2 0 341.344 3.703 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C\c2cnc(-c3ccco3)s2)c([O-])c1 ZINC000806561151 1135460182 /nfs/dbraw/zinc/46/01/82/1135460182.db2.gz RJTHUGVRKNEWFD-XQRVVYSFSA-N -2 0 341.344 3.703 20 30 EHEDRL N#CC(=C([O-])c1ccc(F)c(NC(=O)[O-])c1)c1nc2ccccc2o1 ZINC000740302609 602566139 /nfs/dbraw/zinc/56/61/39/602566139.db2.gz BSYPQWARLHJMGO-JTQLQIEISA-N -2 0 339.282 3.547 20 30 EHEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2nc3ccc(F)cc3s2)c1 ZINC000761478321 1036167323 /nfs/dbraw/zinc/16/73/23/1036167323.db2.gz DMJJUASHARKEDU-WAYWQWQTSA-N -2 0 343.335 3.735 20 30 EHEDRL Cc1ccc(-c2nc(/C=C/C(=O)c3ccc(C(=O)[O-])cc3[O-])co2)cc1 ZINC000806559978 1135459616 /nfs/dbraw/zinc/45/96/16/1135459616.db2.gz HIXKFCLYKIQUKD-VQHVLOKHSA-N -2 0 349.342 3.950 20 30 EHEDRL O=C([O-])[C@@H]1C/C(=C\c2cc(F)c([O-])c(F)c2)C(=O)c2ccccc21 ZINC000806560445 1135459360 /nfs/dbraw/zinc/45/93/60/1135459360.db2.gz LYCTXHMRKJDPBD-ZQNFCJTASA-N -2 0 330.286 3.509 20 30 EHEDRL Cc1cc(C([O-])=C(C#N)c2nc3ccccc3o2)ccc1NC(=O)[O-] ZINC000829904255 605345983 /nfs/dbraw/zinc/34/59/83/605345983.db2.gz JPOGKMCVUNYGED-LBPRGKRZSA-N -2 0 335.319 3.716 20 30 EHEDRL CCCCCCCS(=O)(=O)[N-]c1nc(C(=O)[O-])c(C(C)C)s1 ZINC001595708727 982286343 /nfs/dbraw/zinc/28/63/43/982286343.db2.gz DSOUAJZIULMIAR-UHFFFAOYSA-N -2 0 348.490 3.677 20 30 EHEDRL COc1cc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1[O-] ZINC000588480281 1023897035 /nfs/dbraw/zinc/89/70/35/1023897035.db2.gz OBBFSXPVSVIDNF-RQOWECAXSA-N -2 0 349.726 3.564 20 30 EHEDRL O=C([O-])[C@H](Cc1ccccc1)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000740057375 600154330 /nfs/dbraw/zinc/15/43/30/600154330.db2.gz YQPOLSOUHJNGBA-FRSZACSASA-N -2 0 338.190 3.814 20 30 EHEDRL COc1ccc2oc(/C=C/C(=O)c3cc(C(=O)[O-])ccc3[O-])cc2c1 ZINC000763292321 1121945529 /nfs/dbraw/zinc/94/55/29/1121945529.db2.gz MOQDKPIYAOUIAE-ZZXKWVIFSA-N -2 0 338.315 3.741 20 30 EHEDRL Cc1c(Cl)cc(NC(=O)c2cccc(C#N)c2[O-])c([O-])c1Cl ZINC001193652254 1135167411 /nfs/dbraw/zinc/16/74/11/1135167411.db2.gz AQXVFWRQGBBCLQ-UHFFFAOYSA-N -2 0 337.162 3.837 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C\c2nc3ccc(F)cc3s2)c([O-])c1 ZINC000806559278 1135458905 /nfs/dbraw/zinc/45/89/05/1135458905.db2.gz YLMYEEKALWLDSN-WAYWQWQTSA-N -2 0 343.335 3.735 20 30 EHEDRL O=C([O-])[C@H]1C/C(=C/c2cc(F)c([O-])c(F)c2)C(=O)c2ccccc21 ZINC000806560444 1135459692 /nfs/dbraw/zinc/45/96/92/1135459692.db2.gz LYCTXHMRKJDPBD-PRFOUVDFSA-N -2 0 330.286 3.509 20 30 EHEDRL C[C@@H](Oc1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])cc1)C(=O)[O-] ZINC000794700281 1137235822 /nfs/dbraw/zinc/23/58/22/1137235822.db2.gz IPOPPLFDFBUBOK-SOZJPDODSA-N -2 0 346.766 3.794 20 30 EHEDRL Cc1c(N=NC2CC[C@@H](C(=O)[O-])C(C)(C)[C@H]2C)cccc1C(=O)[O-] ZINC000844622260 1137240399 /nfs/dbraw/zinc/24/03/99/1137240399.db2.gz BIWLPGHBEBGQPS-AAEUAGOBSA-N -2 0 332.400 3.618 20 30 EHEDRL O=C([O-])CCOc1cccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000588480334 1023897172 /nfs/dbraw/zinc/89/71/72/1023897172.db2.gz HLSOCTANBLBHTI-XQRVVYSFSA-N -2 0 346.766 3.795 20 30 EHEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000774137979 1133612915 /nfs/dbraw/zinc/61/29/15/1133612915.db2.gz ZCFVSGNSSCUETC-DJWKRKHSSA-N -2 0 347.710 3.548 20 30 EHEDRL O=C(CCC(=O)C1=CC=C[CH]1)Nc1c(Cl)ccc([O-])c1Cl ZINC001184245170 1133914583 /nfs/dbraw/zinc/91/45/83/1133914583.db2.gz KLIYZJRSNOXDBX-UHFFFAOYSA-N -2 0 325.171 3.687 20 30 EHEDRL C[C@H](Oc1ccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc1)C(=O)[O-] ZINC000794713052 978817782 /nfs/dbraw/zinc/81/77/82/978817782.db2.gz QBKSTMKKWHSULA-OHYQPGSNSA-N -2 0 346.766 3.794 20 30 EHEDRL N#Cc1c(F)ccc(/C=C\C(=O)c2ccc(C(=O)[O-])cc2[O-])c1Cl ZINC000806558808 1135459463 /nfs/dbraw/zinc/45/94/63/1135459463.db2.gz MLBWSVXAXQAQCY-UTCJRWHESA-N -2 0 345.713 3.651 20 30 EHEDRL N#Cc1cccc2c(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cccc12 ZINC001176242015 1132883949 /nfs/dbraw/zinc/88/39/49/1132883949.db2.gz JTNYSUWLDMWIIZ-UHFFFAOYSA-N -2 0 332.315 3.851 20 30 EHEDRL Cc1c(Cl)cc(NC(=O)CCC(=O)C2=CC=C[CH]2)c([O-])c1Cl ZINC001184245682 1133915034 /nfs/dbraw/zinc/91/50/34/1133915034.db2.gz XABVTBCLVQVLLL-UHFFFAOYSA-N -2 0 339.198 3.996 20 30 EHEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000774137980 1133613069 /nfs/dbraw/zinc/61/30/69/1133613069.db2.gz ZCFVSGNSSCUETC-GORDUTHDSA-N -2 0 347.710 3.548 20 30 EHEDRL O=C([O-])c1ccc(C(=O)/C=C/c2nc3ccc(F)cc3s2)c([O-])c1 ZINC000806559276 1135459009 /nfs/dbraw/zinc/45/90/09/1135459009.db2.gz YLMYEEKALWLDSN-AATRIKPKSA-N -2 0 343.335 3.735 20 30 EHEDRL O=C([O-])C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)cc1 ZINC000833265069 601366135 /nfs/dbraw/zinc/36/61/35/601366135.db2.gz RVQMPBLICVWMGV-RMNBPEERSA-N -2 0 348.742 3.589 20 30 EHEDRL CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(CC(=O)[O-])cc1 ZINC000915939428 1121995725 /nfs/dbraw/zinc/99/57/25/1121995725.db2.gz PQUVQRIKKQPUJY-UHFFFAOYSA-N -2 0 346.770 3.501 20 30 EHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C\C(=O)c1csc(C(=O)[O-])c1 ZINC000794942964 1137372516 /nfs/dbraw/zinc/37/25/16/1137372516.db2.gz UATUEXLKQZDVRS-ARJAWSKDSA-N -2 0 330.361 3.657 20 30 EHEDRL CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1ccc(C(=O)[O-])cc1 ZINC000833386732 605155963 /nfs/dbraw/zinc/15/59/63/605155963.db2.gz WHKYNJYUAOFTDC-UHFFFAOYSA-N -2 0 332.743 3.573 20 30 EHEDRL N#Cc1c(F)ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2[O-])c1Cl ZINC000761477810 1036134580 /nfs/dbraw/zinc/13/45/80/1036134580.db2.gz AHWTZAMGJRIYQF-GORDUTHDSA-N -2 0 345.713 3.651 20 30 EHEDRL Cc1cc(C)c(C(=O)[O-])cc1/C=C/C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000794946768 1137375971 /nfs/dbraw/zinc/37/59/71/1137375971.db2.gz QQAQHYRWCWMEJD-HWKANZROSA-N -2 0 341.319 3.512 20 30 EHEDRL O=C([O-])C[C@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000739623938 600494747 /nfs/dbraw/zinc/49/47/47/600494747.db2.gz HNQBADQJZASGTA-OCTXWABXSA-N -2 0 348.742 3.589 20 30 EHEDRL O=C([O-])NC[C@@H]1CCC[C@H]1/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000740619735 603317599 /nfs/dbraw/zinc/31/75/99/603317599.db2.gz ICBWWVAKYYRDDK-ZPNNYQIHSA-N -2 0 331.199 3.554 20 30 EHEDRL O=C([O-])c1cccc(NN=Cc2cc(Cl)c([O-])cc2Cl)c1 ZINC000758090321 1031207747 /nfs/dbraw/zinc/20/77/47/1031207747.db2.gz QAESDTMFBKUBGX-UHFFFAOYSA-N -2 0 325.151 3.843 20 30 EHEDRL COc1ccc(C(=O)/C=C\c2cc(C(=O)[O-])c(C)cc2C)c([O-])c1 ZINC000794941015 1137373702 /nfs/dbraw/zinc/37/37/02/1137373702.db2.gz IJWWFOZLXOEQJC-DAXSKMNVSA-N -2 0 326.348 3.612 20 30 EHEDRL N#Cc1cc(-c2ccccc2)oc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176239207 1132884193 /nfs/dbraw/zinc/88/41/93/1132884193.db2.gz OXXTWPMIKUYBLD-UHFFFAOYSA-N -2 0 348.314 3.958 20 30 EHEDRL CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1csc(C(=O)[O-])c1 ZINC000814690165 1136494895 /nfs/dbraw/zinc/49/48/95/1136494895.db2.gz WOXJPRHICTWKEO-UHFFFAOYSA-N -2 0 338.772 3.634 20 30 EHEDRL O=C([O-])c1ccc([O-])c(C(=O)/C=C\c2ccc(Cl)nc2Cl)c1 ZINC000761481321 1036264690 /nfs/dbraw/zinc/26/46/90/1036264690.db2.gz WXXVLJRPZILAKV-RJRFIUFISA-N -2 0 338.146 3.688 20 30 EHEDRL CCOc1ccc(/C=C/C(=O)c2ccc(C(=O)[O-])cc2[O-])cc1F ZINC000806558790 1135459523 /nfs/dbraw/zinc/45/95/23/1135459523.db2.gz MCLVWKHKMNZNQO-XVNBXDOJSA-N -2 0 330.311 3.524 20 30 EHEDRL O=C([O-])[C@@H]1C/C(=C/c2cc(F)c([O-])c(F)c2)C(=O)c2ccccc21 ZINC000806560443 1135459593 /nfs/dbraw/zinc/45/95/93/1135459593.db2.gz LYCTXHMRKJDPBD-OMPYUXFZSA-N -2 0 330.286 3.509 20 30 EHEDRL C[C@H](Oc1cccc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)c1)C(=O)[O-] ZINC000588480348 1023898370 /nfs/dbraw/zinc/89/83/70/1023898370.db2.gz NYHZGAUCXCYHLU-XOIDGJRKSA-N -2 0 346.766 3.794 20 30 EHEDRL O=C([O-])Cc1ccc(C(=O)/C=C\c2cccc(C(=O)[O-])c2Cl)cc1 ZINC000787167607 1133964896 /nfs/dbraw/zinc/96/48/96/1133964896.db2.gz DLJUQFRPRLTNMG-HJWRWDBZSA-N -2 0 344.750 3.561 20 30 EHEDRL CC(=NNc1ccc(C(=O)[O-])c(Cl)c1)c1cccc(C(=O)[O-])c1 ZINC000833386651 605156007 /nfs/dbraw/zinc/15/60/07/605156007.db2.gz OZZAEKRQDYVQRB-UHFFFAOYSA-N -2 0 332.743 3.573 20 30 EHEDRL Cc1c(N=NC(C)[C@@H]2C[C@H](CC(=O)[O-])C2(C)C)cccc1C(=O)[O-] ZINC000844624092 979397257 /nfs/dbraw/zinc/39/72/57/979397257.db2.gz UPKYWYAZRSYCMJ-OCCSQVGLSA-N -2 0 332.400 3.618 20 30 EHEDRL CC(C)(C)c1cnc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2[O-])s1 ZINC000790599656 1134440874 /nfs/dbraw/zinc/44/08/74/1134440874.db2.gz AMPNNANJKICWKH-SREVYHEPSA-N -2 0 331.393 3.741 20 30 EHEDRL O=C([O-])C[C@@H](/N=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000739623939 600494912 /nfs/dbraw/zinc/49/49/12/600494912.db2.gz HNQBADQJZASGTA-ODGFMFMFSA-N -2 0 348.742 3.589 20 30 EHEDRL