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=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(C)n1C1CCCCC1 ZINC000504712786 1087796632 /nfs/dbraw/zinc/79/66/32/1087796632.db2.gz SICZBHHRTXZFTG-KTKRTIGZSA-N -2 3 369.465 4.212 20 0 FIADHL O=S(=O)([N-]c1cccc(C(F)F)c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436475609 1099051775 /nfs/dbraw/zinc/05/17/75/1099051775.db2.gz GZQFYKWFKXLZBA-UHFFFAOYSA-N -2 3 367.295 4.149 20 0 FIADHL O=c1cc(C=Cc2cc(Cl)c([O-])cc2Cl)nc(-c2ccncc2)[n-]1 ZINC000436925524 1099439384 /nfs/dbraw/zinc/43/93/84/1099439384.db2.gz BWAIALLKYZWANG-UPHRSURJSA-N -2 3 360.200 4.015 20 0 FIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1c(Cl)cccc1C(F)(F)F ZINC000131398458 1123059778 /nfs/dbraw/zinc/05/97/78/1123059778.db2.gz KBUKDUMLMCLYNK-UHFFFAOYSA-N -2 3 369.723 4.004 20 0 FIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000448076716 1086799648 /nfs/dbraw/zinc/79/96/48/1086799648.db2.gz IQXIMRJVOITVSQ-UHFFFAOYSA-N -2 3 369.723 4.004 20 0 FIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1c(Cl)ccc2ccccc21 ZINC000504258707 1096726644 /nfs/dbraw/zinc/72/66/44/1096726644.db2.gz BGIBJFQLWZVULJ-UHFFFAOYSA-N -2 3 351.786 4.139 20 0 FIADHL Cc1nc(C=Cc2ccc(-c3ccccc3)cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000504711564 1116360238 /nfs/dbraw/zinc/36/02/38/1116360238.db2.gz JVZJPPFYEVLWQC-MDZDMXLPSA-N -2 3 364.376 4.094 20 0 FIADHL O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3Cl)s2)[n-]c1=O ZINC000670369832 1122268475 /nfs/dbraw/zinc/26/84/75/1122268475.db2.gz DYBBCARLCYKQFS-VURMDHGXSA-N -2 3 358.806 4.433 20 0 FIADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(C3CCC3)c2)cc1C(=O)[O-] ZINC000461345070 1111169447 /nfs/dbraw/zinc/16/94/47/1111169447.db2.gz YBCRMACAKNTXBS-UHFFFAOYSA-N -2 3 359.447 4.016 20 0 FIADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000060554420 1121483730 /nfs/dbraw/zinc/48/37/30/1121483730.db2.gz QFVLNOLOCMAAQA-UHFFFAOYSA-N -2 3 367.854 4.137 20 0 FIADHL COc1ccc([O-])c(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1 ZINC000497122185 1121841372 /nfs/dbraw/zinc/84/13/72/1121841372.db2.gz BHLHDUNWXMAQQT-UHFFFAOYSA-N -2 3 362.596 4.319 20 0 FIADHL O=C([N-]c1nnc(-c2cccc(Cl)c2)s1)c1c(F)ccc([O-])c1F ZINC000583532624 1086777041 /nfs/dbraw/zinc/77/70/41/1086777041.db2.gz KAMWIBYZYJDXCU-UHFFFAOYSA-N -2 3 367.764 4.095 20 0 FIADHL CCCCc1oc2ccccc2c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504713126 1087796474 /nfs/dbraw/zinc/79/64/74/1087796474.db2.gz UKYDJXIUOAVZPF-KHPPLWFESA-N -2 3 366.417 4.377 20 0 FIADHL Cc1ccccc1-c1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000504720818 1087820472 /nfs/dbraw/zinc/82/04/72/1087820472.db2.gz MFQCBNQMJNTPON-ZHACJKMWSA-N -2 3 360.413 4.264 20 0 FIADHL O=C([O-])C/C(=C/c1ccc([O-])c(Br)c1)c1nc2ccccc2o1 ZINC000436989727 1099495591 /nfs/dbraw/zinc/49/55/91/1099495591.db2.gz PBVDRYGNMLXMJS-XFFZJAGNSA-N -2 3 374.190 4.311 20 0 FIADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000328255366 1121481259 /nfs/dbraw/zinc/48/12/59/1121481259.db2.gz CFEHDBTXRYUPTF-AWEZNQCLSA-N -2 3 361.463 4.189 20 0 FIADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c(Cl)cccc1C(F)(F)F ZINC000131522662 1123103442 /nfs/dbraw/zinc/10/34/42/1123103442.db2.gz BOOHZOVIUXTUBL-UHFFFAOYSA-N -2 3 369.723 4.004 20 0 FIADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C3CCC3)cc2)cc1C(=O)[O-] ZINC000447272150 1109492884 /nfs/dbraw/zinc/49/28/84/1109492884.db2.gz QMOBCZJMAIXTOC-UHFFFAOYSA-N -2 3 359.447 4.016 20 0 FIADHL C[C@@H](CC(=O)[O-])S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000736550677 600589169 /nfs/dbraw/zinc/58/91/69/600589169.db2.gz HBYLJCXMZSMYKR-IUCAKERBSA-N -2 3 364.448 4.314 20 0 FIADHL O=C([O-])C/C(=C\c1cc([O-])ccc1Br)c1nc2ccccc2o1 ZINC000431259728 1083726292 /nfs/dbraw/zinc/72/62/92/1083726292.db2.gz QIBUSTLFGACKGF-YRNVUSSQSA-N -2 3 374.190 4.311 20 0 FIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc2cc(Cl)ccc2s1 ZINC000504223360 1096719166 /nfs/dbraw/zinc/71/91/66/1096719166.db2.gz QFJRFHOMONQNMR-UHFFFAOYSA-N -2 3 357.815 4.200 20 0 FIADHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000481452706 1112949540 /nfs/dbraw/zinc/94/95/40/1112949540.db2.gz TWXCSOTUZWYBKI-UHFFFAOYSA-N -2 3 374.245 4.109 20 0 FIADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1F)c1cccc(Cl)c1[O-] ZINC000436478887 452922586 /nfs/dbraw/zinc/92/25/86/452922586.db2.gz SCEONSPRUNKJJG-UHFFFAOYSA-N -2 3 369.723 4.004 20 0 FIADHL CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000451045983 569966573 /nfs/dbraw/zinc/96/65/73/569966573.db2.gz NJAAXLPAOUUTIR-UHFFFAOYSA-N -2 3 354.859 4.057 20 0 FIADHL C[C@@H](SC[C@@H](C)C(=O)[O-])c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000736613644 600602618 /nfs/dbraw/zinc/60/26/18/600602618.db2.gz BOOIXEHDHOSIRM-RKDXNWHRSA-N -2 3 364.448 4.172 20 0 FIADHL C[C@@H](CS[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)[O-] ZINC000736613640 600602783 /nfs/dbraw/zinc/60/27/83/600602783.db2.gz BOOIXEHDHOSIRM-DTWKUNHWSA-N -2 3 364.448 4.172 20 0 FIADHL Cc1nc(C=Cc2ccc(-c3ccccc3Cl)o2)[n-]c(=O)c1CC(=O)[O-] ZINC000504710531 1087792766 /nfs/dbraw/zinc/79/27/66/1087792766.db2.gz CIABOKLQLGWPJB-CLFYSBASSA-N -2 3 370.792 4.202 20 0 FIADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000328292207 1121515197 /nfs/dbraw/zinc/51/51/97/1121515197.db2.gz KZXOHTXAGXECTQ-CQSZACIVSA-N -2 3 361.463 4.018 20 0 FIADHL Cc1ccc(-c2nnc([N-]C(=O)c3c(F)ccc([O-])c3F)s2)c(C)c1 ZINC000580128025 1081622933 /nfs/dbraw/zinc/62/29/33/1081622933.db2.gz NPFGELUHWRGIBI-UHFFFAOYSA-N -2 3 361.373 4.058 20 0 FIADHL Cc1cc(Br)c([O-])c(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000183599961 1089023609 /nfs/dbraw/zinc/02/36/09/1089023609.db2.gz CYNNQDMAQVZTAM-UHFFFAOYSA-N -2 3 356.603 4.074 20 0 FIADHL Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1[n-]nc(-c2ccccc2)s1 ZINC000436858356 1099370804 /nfs/dbraw/zinc/37/08/04/1099370804.db2.gz SWKSEYPZHOXBAG-UHFFFAOYSA-N -2 3 353.447 4.017 20 0 FIADHL CCOc1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc(Cl)c1[O-] ZINC000445462172 1108795967 /nfs/dbraw/zinc/79/59/67/1108795967.db2.gz JFVAYLQAMLSMBY-UHFFFAOYSA-N -2 3 350.733 4.006 20 0 FIADHL Cc1ccc(-c2ccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)s2)cc1 ZINC000504734600 1087806408 /nfs/dbraw/zinc/80/64/08/1087806408.db2.gz ZVRZLYRNCOVGHP-NTMALXAHSA-N -2 3 366.442 4.325 20 0 FIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1c(Cl)cc(Cl)cc1Cl ZINC000504261706 1096721066 /nfs/dbraw/zinc/72/10/66/1096721066.db2.gz YQXDOPAIWOCCTM-UHFFFAOYSA-N -2 3 370.616 4.292 20 0 FIADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000515863693 1098982200 /nfs/dbraw/zinc/98/22/00/1098982200.db2.gz IZFKTBLPRLAWOB-UHFFFAOYSA-N -2 3 367.426 4.161 20 0 FIADHL O=C([O-])c1cccc2oc(/C=C\c3ccc([O-])c(Br)c3)nc21 ZINC000439270298 1101295988 /nfs/dbraw/zinc/29/59/88/1101295988.db2.gz DYIGGBDGTMPHCA-ALCCZGGFSA-N -2 3 360.163 4.165 20 0 FIADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1C1CC1 ZINC000479573676 1112076857 /nfs/dbraw/zinc/07/68/57/1112076857.db2.gz ANSASBSDXFRBAP-UHFFFAOYSA-N -2 3 365.838 4.025 20 0 FIADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1 ZINC000328255367 1121480507 /nfs/dbraw/zinc/48/05/07/1121480507.db2.gz CFEHDBTXRYUPTF-CQSZACIVSA-N -2 3 361.463 4.189 20 0 FIADHL CCn1c2ccccc2c2cc(C=Cc3ncc(C(=O)[O-])c(=O)[n-]3)ccc21 ZINC000670369969 1122268506 /nfs/dbraw/zinc/26/85/06/1122268506.db2.gz NVHMCHYFRSIXNI-CSKARUKUSA-N -2 3 359.385 4.179 20 0 FIADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000436480082 452921939 /nfs/dbraw/zinc/92/19/39/452921939.db2.gz YTRYRPUHBATANQ-UHFFFAOYSA-N -2 3 365.760 4.174 20 0 FIADHL O=S(=O)([N-]c1ccc(F)c(C(F)(F)F)c1)c1cccc(Cl)c1[O-] ZINC000579983327 452922617 /nfs/dbraw/zinc/92/26/17/452922617.db2.gz OITJVAJXDJBQET-UHFFFAOYSA-N -2 3 369.723 4.004 20 0 FIADHL C[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])c2c([O-])cccc21 ZINC000186322430 567906365 /nfs/dbraw/zinc/90/63/65/567906365.db2.gz IPMIMYSGKOZVMR-JTQLQIEISA-N -2 3 351.324 4.271 20 0 FIADHL Cc1nc(C=Cc2ccc(-c3ccccc3Cl)o2)[n-]c(=O)c1CC(=O)[O-] ZINC000504710532 1087793166 /nfs/dbraw/zinc/79/31/66/1087793166.db2.gz CIABOKLQLGWPJB-VQHVLOKHSA-N -2 3 370.792 4.202 20 0 FIADHL O=c1cc(C=Cc2cc(Cl)c([O-])cc2Cl)nc(-c2ccncc2)[n-]1 ZINC000436925523 1099439442 /nfs/dbraw/zinc/43/94/42/1099439442.db2.gz BWAIALLKYZWANG-OWOJBTEDSA-N -2 3 360.200 4.015 20 0 FIADHL CCOc1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cc(Cl)c1[O-] ZINC000439272017 1101296882 /nfs/dbraw/zinc/29/68/82/1101296882.db2.gz JYQYBTQRYRYZKZ-UTCJRWHESA-N -2 3 359.765 4.454 20 0 FIADHL Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(C)c1C ZINC000065844502 1121983687 /nfs/dbraw/zinc/98/36/87/1121983687.db2.gz REBLTGBLPOZOPJ-UHFFFAOYSA-N -2 3 361.463 4.036 20 0 FIADHL CCn1c2ccccc2c2cc(C=Cc3ncc(C(=O)[O-])c(=O)[n-]3)ccc21 ZINC000670369970 1122268459 /nfs/dbraw/zinc/26/84/59/1122268459.db2.gz NVHMCHYFRSIXNI-NTMALXAHSA-N -2 3 359.385 4.179 20 0 FIADHL Cc1cc(C)cc(-c2n[n-]c(=NC(=O)c3cc4ccsc4[n-]3)s2)c1 ZINC000604359008 568267962 /nfs/dbraw/zinc/26/79/62/568267962.db2.gz FBBRIFDHQFACLM-UHFFFAOYSA-N -2 3 354.460 4.039 20 0 FIADHL Cc1nc(C=Cc2cnc(C3CCCCC3)s2)[n-]c(=O)c1CCC(=O)[O-] ZINC000584832899 1090932243 /nfs/dbraw/zinc/93/22/43/1090932243.db2.gz WZKZNTKZMWKKSW-VQHVLOKHSA-N -2 3 373.478 4.182 20 0 FIADHL CCOc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc(Cl)c1[O-] ZINC000445482025 1108802258 /nfs/dbraw/zinc/80/22/58/1108802258.db2.gz OGZMGHDMRJIUKZ-UHFFFAOYSA-N -2 3 350.733 4.006 20 0 FIADHL C[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])c2c([O-])cccc21 ZINC000186279162 567897336 /nfs/dbraw/zinc/89/73/36/567897336.db2.gz CVGMNOLCLYFZME-SNVBAGLBSA-N -2 3 362.223 4.014 20 0 FIADHL C[C@@H](S[C@@H](C)CC(=O)[O-])c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000736550675 600589255 /nfs/dbraw/zinc/58/92/55/600589255.db2.gz HBYLJCXMZSMYKR-DTWKUNHWSA-N -2 3 364.448 4.314 20 0 FIADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(C)n1C1CCCCC1 ZINC000504712787 1087797517 /nfs/dbraw/zinc/79/75/17/1087797517.db2.gz SICZBHHRTXZFTG-MDZDMXLPSA-N -2 3 369.465 4.212 20 0 FIADHL Cc1ccc(-c2cccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)c2)cc1 ZINC000504734584 1087806640 /nfs/dbraw/zinc/80/66/40/1087806640.db2.gz ZRPMBIJIPIDUOW-FLIBITNWSA-N -2 3 360.413 4.264 20 0 FIADHL Cc1cc(C(F)(F)F)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443454154 1093139963 /nfs/dbraw/zinc/13/99/63/1093139963.db2.gz MUMBFBJIUKNLHR-DAXSKMNVSA-N -2 3 366.339 4.005 20 0 FIADHL CCc1ccc(-c2ccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)o2)cc1 ZINC000504730641 1087826052 /nfs/dbraw/zinc/82/60/52/1087826052.db2.gz NBBZXMZLQHICQK-PKNBQFBNSA-N -2 3 364.401 4.111 20 0 FIADHL CCOc1cc(-c2noc(-c3ccc([O-])cc3F)n2)cc(Cl)c1[O-] ZINC000445428759 1108740051 /nfs/dbraw/zinc/74/00/51/1108740051.db2.gz XAIJGSQHGBXAJZ-UHFFFAOYSA-N -2 3 350.733 4.006 20 0 FIADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000534689104 1116225486 /nfs/dbraw/zinc/22/54/86/1116225486.db2.gz SFVHOKJEMSENFY-UHFFFAOYSA-N -2 3 361.463 4.018 20 0 FIADHL C[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])c2c([O-])cccc21 ZINC000186279177 567897245 /nfs/dbraw/zinc/89/72/45/567897245.db2.gz CVGMNOLCLYFZME-JTQLQIEISA-N -2 3 362.223 4.014 20 0 FIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(Cl)ccc1C(F)(F)F ZINC000507934036 1105271574 /nfs/dbraw/zinc/27/15/74/1105271574.db2.gz JUOMDJUINQVBKO-UHFFFAOYSA-N -2 3 369.723 4.004 20 0 FIADHL COc1cccc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1[O-] ZINC000436903633 1099412611 /nfs/dbraw/zinc/41/26/11/1099412611.db2.gz UHAPHJSGAHRSPJ-UHFFFAOYSA-N -2 3 362.596 4.319 20 0 FIADHL COc1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc(Cl)c1[O-] ZINC000445444816 1108768783 /nfs/dbraw/zinc/76/87/83/1108768783.db2.gz KIMFCWUFAJFVKK-UHFFFAOYSA-N -2 3 353.161 4.130 20 0 FIADHL C[C@@H](CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)[O-] ZINC000736613642 600602771 /nfs/dbraw/zinc/60/27/71/600602771.db2.gz BOOIXEHDHOSIRM-IUCAKERBSA-N -2 3 364.448 4.172 20 0 FIADHL Cc1ccc(-c2csc3[n-]c(-c4cc(C(=O)[O-])ccn4)nc(=O)c23)s1 ZINC000832907443 604971458 /nfs/dbraw/zinc/97/14/58/604971458.db2.gz XJYSYFQCDVWDPF-UHFFFAOYSA-N -2 3 369.427 4.194 20 0 FIADHL COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc(Cl)c1[O-] ZINC000619733457 1125679579 /nfs/dbraw/zinc/67/95/79/1125679579.db2.gz FJVSYMNXRMZZGZ-WDZFZDKYSA-N -2 3 359.765 4.211 20 0 FIADHL Cc1nc(C=Cc2sc3ccccc3c2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000504713610 1087797824 /nfs/dbraw/zinc/79/78/24/1087797824.db2.gz XRRFYELSDMGDFB-SREVYHEPSA-N -2 3 360.822 4.156 20 0 FIADHL Cc1nc(C=Cc2ccc(-c3cccc(F)c3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728678 1087826180 /nfs/dbraw/zinc/82/61/80/1087826180.db2.gz GCHHRQAPTSHYBL-VURMDHGXSA-N -2 3 370.405 4.156 20 0 FIADHL Cc1nc(C=Cc2cc(-c3ccccc3)cs2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728214 1087826333 /nfs/dbraw/zinc/82/63/33/1087826333.db2.gz ALWLDQUANSJOFA-BQYQJAHWSA-N -2 3 352.415 4.017 20 0 FIADHL C[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])c2c([O-])cccc21 ZINC000186285874 567898354 /nfs/dbraw/zinc/89/83/54/567898354.db2.gz MYLXYXJZAWOXQX-JTQLQIEISA-N -2 3 362.223 4.014 20 0 FIADHL C[C@H](CC(=O)[O-])S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000736550679 600589352 /nfs/dbraw/zinc/58/93/52/600589352.db2.gz HBYLJCXMZSMYKR-RKDXNWHRSA-N -2 3 364.448 4.314 20 0 FIADHL Cc1nc(C=Cc2ccc(-c3ccccc3)s2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443457479 1093151196 /nfs/dbraw/zinc/15/11/96/1093151196.db2.gz WVZANAXCOQHXFA-FLIBITNWSA-N -2 3 366.442 4.407 20 0 FIADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c(Cl)cc(Cl)cc1Cl ZINC000131515204 1123099752 /nfs/dbraw/zinc/09/97/52/1123099752.db2.gz YKTWAJJRKFMIKT-UHFFFAOYSA-N -2 3 370.616 4.292 20 0 FIADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000071974956 221392077 /nfs/dbraw/zinc/39/20/77/221392077.db2.gz VZJYBSADRHELLN-UHFFFAOYSA-N -2 3 371.817 4.102 20 0 FIADHL Cc1nc(C=Cc2cccc(-c3ccccc3)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443452066 1083785593 /nfs/dbraw/zinc/78/55/93/1083785593.db2.gz INLWMFYJBGSTFJ-ZRDIBKRKSA-N -2 3 360.413 4.345 20 0 FIADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cc2cc(Cl)ccc2s1 ZINC000131539593 1123111420 /nfs/dbraw/zinc/11/14/20/1123111420.db2.gz GKIUOEHGXXJWOG-UHFFFAOYSA-N -2 3 357.815 4.200 20 0 FIADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000303215901 568258448 /nfs/dbraw/zinc/25/84/48/568258448.db2.gz SRSKIADTPJDYGO-UHFFFAOYSA-N -2 3 371.817 4.102 20 0 FIADHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(F)cc1C(F)(F)F ZINC000182496138 1125530351 /nfs/dbraw/zinc/53/03/51/1125530351.db2.gz PKLGEXNWQWQCNV-UHFFFAOYSA-N -2 3 369.723 4.004 20 0 FIADHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc(CCCCl)cc1 ZINC000182495329 1125530646 /nfs/dbraw/zinc/53/06/46/1125530646.db2.gz ZKYDFZVEDHMKJF-UHFFFAOYSA-N -2 3 360.262 4.018 20 0 FIADHL O=C([O-])c1ccc2oc(/C=C\c3ccc([O-])c(Br)c3)nc2c1 ZINC000439281158 1101303981 /nfs/dbraw/zinc/30/39/81/1101303981.db2.gz XUUKTYLCHBSBQA-KXFIGUGUSA-N -2 3 360.163 4.165 20 0 FIADHL O=c1nc(-c2ccc([O-])cc2Cl)[n-]c2c(-c3ccccc3)nsc21 ZINC000527368690 1109747554 /nfs/dbraw/zinc/74/75/54/1109747554.db2.gz VIOZDGRKLTUDTP-UHFFFAOYSA-N -2 3 355.806 4.073 20 0 FIADHL Cc1nc(C=Cc2ccc(-c3ccccc3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504712696 1087795021 /nfs/dbraw/zinc/79/50/21/1087795021.db2.gz RSXIICRSXDTMET-NTMALXAHSA-N -2 3 352.415 4.017 20 0 FIADHL Cc1ccc(-c2ccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)s2)cc1 ZINC000504734599 1087806898 /nfs/dbraw/zinc/80/68/98/1087806898.db2.gz ZVRZLYRNCOVGHP-CSKARUKUSA-N -2 3 366.442 4.325 20 0 FIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(C(F)(F)F)cc1Cl ZINC000504280627 1096730869 /nfs/dbraw/zinc/73/08/69/1096730869.db2.gz RFVAJORQOWYVKL-UHFFFAOYSA-N -2 3 369.723 4.004 20 0 FIADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000535054124 1116264875 /nfs/dbraw/zinc/26/48/75/1116264875.db2.gz OYVWRMIOWNBTEO-UHFFFAOYSA-N -2 3 355.774 4.040 20 0 FIADHL C[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])c2c([O-])cccc21 ZINC000186285855 567898315 /nfs/dbraw/zinc/89/83/15/567898315.db2.gz MYLXYXJZAWOXQX-SNVBAGLBSA-N -2 3 362.223 4.014 20 0 FIADHL C[C@H](CS[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)[O-] ZINC000736613637 600602707 /nfs/dbraw/zinc/60/27/07/600602707.db2.gz BOOIXEHDHOSIRM-BDAKNGLRSA-N -2 3 364.448 4.172 20 0 FIADHL O=C([N-]c1nnc(-c2ccccc2Cl)s1)c1c(F)ccc([O-])c1F ZINC000582553365 1085125784 /nfs/dbraw/zinc/12/57/84/1085125784.db2.gz YORCIGTUWGJTGU-UHFFFAOYSA-N -2 3 367.764 4.095 20 0 FIADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000324480345 1095844716 /nfs/dbraw/zinc/84/47/16/1095844716.db2.gz GVYLRSXGMYQIDW-UHFFFAOYSA-N -2 3 367.854 4.038 20 0 FIADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000538830837 1111312838 /nfs/dbraw/zinc/31/28/38/1111312838.db2.gz TYBXAOPWCWCRLB-UHFFFAOYSA-N -2 3 370.236 4.053 20 0 FIADHL O=C([O-])c1cnc(C=Cc2ccc(-c3ccccc3Cl)s2)[n-]c1=O ZINC000670369831 1122268282 /nfs/dbraw/zinc/26/82/82/1122268282.db2.gz DYBBCARLCYKQFS-SOFGYWHQSA-N -2 3 358.806 4.433 20 0 FIADHL Cc1nc(C=Cc2ccc(-c3cccs3)cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000504710372 1087792814 /nfs/dbraw/zinc/79/28/14/1087792814.db2.gz AULDWQKMSZNART-SREVYHEPSA-N -2 3 370.405 4.156 20 0 FIADHL CCCCc1oc2ccccc2c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504713129 1087797872 /nfs/dbraw/zinc/79/78/72/1087797872.db2.gz UKYDJXIUOAVZPF-ZHACJKMWSA-N -2 3 366.417 4.377 20 0 FIADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000515622018 1098771874 /nfs/dbraw/zinc/77/18/74/1098771874.db2.gz FAVTYSXECOJMBL-UHFFFAOYSA-N -2 3 371.817 4.102 20 0 FIADHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c2ccccc12 ZINC000182495119 1125530244 /nfs/dbraw/zinc/53/02/44/1125530244.db2.gz MWLFXDSTBPQHHA-UHFFFAOYSA-N -2 3 363.822 4.008 20 0 FIADHL Cc1nc(C=Cc2ccc(-c3ccccc3)cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000504711563 1087793917 /nfs/dbraw/zinc/79/39/17/1087793917.db2.gz JVZJPPFYEVLWQC-KTKRTIGZSA-N -2 3 364.376 4.094 20 0 FIADHL Cc1nc(C=Cc2ccc(-c3cccc(F)c3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728677 1087826841 /nfs/dbraw/zinc/82/68/41/1087826841.db2.gz GCHHRQAPTSHYBL-SOFGYWHQSA-N -2 3 370.405 4.156 20 0 FIADHL CCOc1cc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)cc(Cl)c1[O-] ZINC000439269724 1101290283 /nfs/dbraw/zinc/29/02/83/1101290283.db2.gz DABGGYYKPDUGLW-SREVYHEPSA-N -2 3 359.765 4.454 20 0 FIADHL Cc1c([N-]S(=O)(=O)c2ccc(CCC(C)C)cc2)cccc1C(=O)[O-] ZINC000078481245 1123778641 /nfs/dbraw/zinc/77/86/41/1123778641.db2.gz HKJXMOQDPDJNRZ-UHFFFAOYSA-N -2 3 361.463 4.083 20 0 FIADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000071974224 221390922 /nfs/dbraw/zinc/39/09/22/221390922.db2.gz DCCUZCIYBDVLQQ-UHFFFAOYSA-N -2 3 371.817 4.102 20 0 FIADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1 ZINC000467085049 1083308600 /nfs/dbraw/zinc/30/86/00/1083308600.db2.gz MDOQHIOFXNTGAP-UHFFFAOYSA-N -2 3 361.463 4.182 20 0 FIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(C(F)(F)F)ccc1Cl ZINC000448073900 1086790891 /nfs/dbraw/zinc/79/08/91/1086790891.db2.gz HMAZDKLPFRFIPM-UHFFFAOYSA-N -2 3 369.723 4.004 20 0 FIADHL Cc1nc(C=Cc2ccc(-c3ccccc3)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000504712695 1087795331 /nfs/dbraw/zinc/79/53/31/1087795331.db2.gz RSXIICRSXDTMET-CSKARUKUSA-N -2 3 352.415 4.017 20 0 FIADHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C(C)C)c1 ZINC000326838293 1093153265 /nfs/dbraw/zinc/15/32/65/1093153265.db2.gz BVBOVVUPFAYNCT-UHFFFAOYSA-N -2 3 361.463 4.432 20 0 FIADHL C[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)cc2[O-])c2c([O-])cccc21 ZINC000186322410 567906345 /nfs/dbraw/zinc/90/63/45/567906345.db2.gz IPMIMYSGKOZVMR-SNVBAGLBSA-N -2 3 351.324 4.271 20 0 FIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1csc2ccc(Cl)cc21 ZINC000504268341 1096728024 /nfs/dbraw/zinc/72/80/24/1096728024.db2.gz SZENQNVYAOVORR-UHFFFAOYSA-N -2 3 357.815 4.200 20 0 FIADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(C)C)cc1C(=O)[O-] ZINC000520078342 1104063960 /nfs/dbraw/zinc/06/39/60/1104063960.db2.gz WPELCHFDFUVZBN-UHFFFAOYSA-N -2 3 361.463 4.083 20 0 FIADHL CCOc1cc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)cc(Cl)c1[O-] ZINC000255387416 1081838677 /nfs/dbraw/zinc/83/86/77/1081838677.db2.gz FRHVEQATZFZCFK-WAYWQWQTSA-N -2 3 362.813 4.226 20 0 FIADHL CCOc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)cc(Cl)c1[O-] ZINC000439267124 1101289446 /nfs/dbraw/zinc/28/94/46/1101289446.db2.gz CLGGLOVDGVTXFJ-UTCJRWHESA-N -2 3 359.765 4.454 20 0 FIADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1C ZINC000391967470 1105211894 /nfs/dbraw/zinc/21/18/94/1105211894.db2.gz CQEQVOKHBFRPRQ-UHFFFAOYSA-N -2 3 367.854 4.073 20 0 FIADHL [O-]c1ccc(-c2noc(-c3ccc(Br)cc3[O-])n2)c(Cl)c1 ZINC000445449149 1108751345 /nfs/dbraw/zinc/75/13/45/1108751345.db2.gz UCHRRBOVTTZIKB-UHFFFAOYSA-N -2 3 367.586 4.231 20 0 FIADHL Cc1nc(C=Cc2cccc(-c3ccccc3)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443452064 1083784748 /nfs/dbraw/zinc/78/47/48/1083784748.db2.gz INLWMFYJBGSTFJ-BENRWUELSA-N -2 3 360.413 4.345 20 0 FIADHL Cc1ccc(-c2cccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)c2)cc1 ZINC000504734583 1087806206 /nfs/dbraw/zinc/80/62/06/1087806206.db2.gz ZRPMBIJIPIDUOW-DHZHZOJOSA-N -2 3 360.413 4.264 20 0 FIADHL Cc1nc(C=Cc2cc(-c3ccccc3)cs2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728215 1087827438 /nfs/dbraw/zinc/82/74/38/1087827438.db2.gz ALWLDQUANSJOFA-FPLPWBNLSA-N -2 3 352.415 4.017 20 0 FIADHL Cc1nc(C=Cc2cnc(C3CCCCC3)s2)[n-]c(=O)c1CCC(=O)[O-] ZINC000584832898 1090932611 /nfs/dbraw/zinc/93/26/11/1090932611.db2.gz WZKZNTKZMWKKSW-CLFYSBASSA-N -2 3 373.478 4.182 20 0 FIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc2oc3ccccc3c2c1 ZINC000534318071 1116183969 /nfs/dbraw/zinc/18/39/69/1116183969.db2.gz SWQGMBXYRCLBSA-UHFFFAOYSA-N -2 3 357.362 4.232 20 0 FIADHL Cc1nc(C=Cc2sc3ccccc3c2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000504713611 1087797216 /nfs/dbraw/zinc/79/72/16/1087797216.db2.gz XRRFYELSDMGDFB-VOTSOKGWSA-N -2 3 360.822 4.156 20 0 FIADHL CCc1ccc(-c2ccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)o2)cc1 ZINC000504730640 1087827790 /nfs/dbraw/zinc/82/77/90/1087827790.db2.gz NBBZXMZLQHICQK-LUAWRHEFSA-N -2 3 364.401 4.111 20 0 FIADHL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000327132010 1093446145 /nfs/dbraw/zinc/44/61/45/1093446145.db2.gz TYXLMJWNMIJKHW-UHFFFAOYSA-N -2 3 367.854 4.137 20 0 FIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(Cl)cc1C(F)(F)F ZINC000504274659 1096728876 /nfs/dbraw/zinc/72/88/76/1096728876.db2.gz MAPMPFGMHLJFKU-UHFFFAOYSA-N -2 3 369.723 4.004 20 0 FIADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)ccc2C)c1 ZINC000475834266 1102135373 /nfs/dbraw/zinc/13/53/73/1102135373.db2.gz YEPLXLGFYMJQLU-UHFFFAOYSA-N -2 3 373.430 4.078 20 0 FIADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2csc3ccccc32)c(Cl)c1 ZINC000551996373 1103849033 /nfs/dbraw/zinc/84/90/33/1103849033.db2.gz IVBZCLYBDYDONW-UHFFFAOYSA-N -2 3 367.835 4.054 20 0 FIADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000007057388 1124861892 /nfs/dbraw/zinc/86/18/92/1124861892.db2.gz KKSYZHBSQUMCAU-UHFFFAOYSA-N -2 3 361.463 4.036 20 0 FIADHL C[C@H](CC(=O)[O-])S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000736550664 600589268 /nfs/dbraw/zinc/58/92/68/600589268.db2.gz HBYLJCXMZSMYKR-BDAKNGLRSA-N -2 3 364.448 4.314 20 0 FIADHL Cc1nc(C=Cc2ccc(-c3cccs3)cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000504710373 1087792070 /nfs/dbraw/zinc/79/20/70/1087792070.db2.gz AULDWQKMSZNART-VOTSOKGWSA-N -2 3 370.405 4.156 20 0 FIADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1 ZINC000328292206 1121515510 /nfs/dbraw/zinc/51/55/10/1121515510.db2.gz KZXOHTXAGXECTQ-AWEZNQCLSA-N -2 3 361.463 4.018 20 0 FIADHL Cc1ccccc1-c1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000504720817 1087818753 /nfs/dbraw/zinc/81/87/53/1087818753.db2.gz MFQCBNQMJNTPON-KHPPLWFESA-N -2 3 360.413 4.264 20 0 FIADHL O=C([O-])c1cc(Cl)cc(Nc2cc(Br)cc(F)c2[O-])c1 ZINC001211966669 1102996573 /nfs/dbraw/zinc/99/65/73/1102996573.db2.gz KVEXOGAWXDFOOB-UHFFFAOYSA-N -2 3 360.566 4.389 20 0 FIADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000071939708 221388854 /nfs/dbraw/zinc/38/88/54/221388854.db2.gz VDEUCCYWHQOFPB-UHFFFAOYSA-N -2 3 367.854 4.073 20 0 FIADHL Cc1ccc(-c2csc3[n-]c(-c4cc(C(=O)[O-])ccn4)nc(=O)c23)cc1 ZINC000832907147 604971751 /nfs/dbraw/zinc/97/17/51/604971751.db2.gz NKSKHKRWMIEJDI-UHFFFAOYSA-N -2 3 363.398 4.133 20 0 FIADHL