smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(Cl)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001211965152 1125532113 /nfs/dbraw/zinc/53/21/13/1125532113.db2.gz QSJLBNPYUGRBEA-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL [O-]c1ccc(Nc2ccc([S-])cc2)c(F)c1F ZINC001212009444 1125649071 /nfs/dbraw/zinc/64/90/71/1125649071.db2.gz OGPZKONONSCPJY-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL O=C([O-])c1ccc(Nc2cccc(Cl)c2[O-])s1 ZINC001174810361 1121056058 /nfs/dbraw/zinc/05/60/58/1121056058.db2.gz LMCDZNVVVSSHBD-UHFFFAOYSA-N -2 3 269.709 3.549 20 0 CHADHL Cc1csc2[n-]c(=S)nc(O[C@@H](C)C3=CC=C[CH]3)c12 ZINC001229351393 1132056697 /nfs/dbraw/zinc/05/66/97/1132056697.db2.gz ANQHRUBADYCKNW-VIFPVBQESA-N -2 3 289.405 3.756 20 0 CHADHL O=C([O-])c1cc(Nc2cccc(Cl)c2[O-])cc(F)c1F ZINC001215465957 1134630149 /nfs/dbraw/zinc/63/01/49/1134630149.db2.gz GCGWNYKQXTZHOR-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL O=C(Nc1cccc(Cl)c1[O-])c1cc([O-])ccc1Cl ZINC000335939353 228167252 /nfs/dbraw/zinc/16/72/52/228167252.db2.gz DWHRQYGHVWKRTO-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL O=C([O-])c1cccc2oc(/C=C\c3ccc([O-])c(F)c3)nc21 ZINC000436785948 330685104 /nfs/dbraw/zinc/68/51/04/330685104.db2.gz WMWRRMZRUZVLAK-ALCCZGGFSA-N -2 3 299.257 3.541 20 0 CHADHL [O-]c1cc(F)c(-c2ccc([S-])c(F)c2)c(F)c1 ZINC001241121119 1129458715 /nfs/dbraw/zinc/45/87/15/1129458715.db2.gz BSTXDKZYCHAADR-UHFFFAOYSA-N -2 3 256.248 3.765 20 0 CHADHL C[C@@H](Oc1c([O-])cc(Cl)cc1F)C1=CC=C[CH]1 ZINC001234447025 1128189742 /nfs/dbraw/zinc/18/97/42/1128189742.db2.gz IIZPHPPWYKHBAW-MRVPVSSYSA-N -2 3 253.680 3.652 20 0 CHADHL Cc1cc(Nc2cccc(Cl)c2[O-])cc(C(=O)[O-])c1 ZINC001211542226 1119056096 /nfs/dbraw/zinc/05/60/96/1119056096.db2.gz DOAQXGPRJIKBDM-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL C[C@H](Oc1cccc([O-])c1Br)C1=CC=C[CH]1 ZINC001229141114 1132026255 /nfs/dbraw/zinc/02/62/55/1132026255.db2.gz IRQXICOITVRICY-VIFPVBQESA-N -2 3 280.141 3.622 20 0 CHADHL O=C([O-])/C=C/c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001174496359 1132862262 /nfs/dbraw/zinc/86/22/62/1132862262.db2.gz IAMJTXIKBRGSQA-QPJJXVBHSA-N -2 3 291.253 3.512 20 0 CHADHL O=C(Nc1c([O-])cccc1Cl)c1cccc(Cl)c1[O-] ZINC001159658483 1132885488 /nfs/dbraw/zinc/88/54/88/1132885488.db2.gz UVQJTGHVRORQGJ-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL Cc1c(F)cc(C(=O)[O-])cc1Nc1c(F)cc([O-])cc1F ZINC001210010187 1134122118 /nfs/dbraw/zinc/12/21/18/1134122118.db2.gz IYROLKDXVULDRV-UHFFFAOYSA-N -2 3 297.232 3.560 20 0 CHADHL [O-]c1cc(Br)cnc1Nc1cccc([S-])c1 ZINC001210945707 1134335886 /nfs/dbraw/zinc/33/58/86/1134335886.db2.gz RWDNZNKGITVINV-UHFFFAOYSA-N -2 3 297.177 3.582 20 0 CHADHL [O-]c1c(F)cc(Nc2ccc([S-])cc2)cc1F ZINC001213381890 1134445378 /nfs/dbraw/zinc/44/53/78/1134445378.db2.gz NIKGPKYOSLHJLU-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL [O-]c1cc(F)c(Nc2ccccc2[S-])cc1F ZINC001215571790 1134644100 /nfs/dbraw/zinc/64/41/00/1134644100.db2.gz MLBGLDPNXHDJEE-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL CCCCCC[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019618 1135503246 /nfs/dbraw/zinc/50/32/46/1135503246.db2.gz YZRRFCGWXJDSCJ-CYBMUJFWSA-N -2 3 280.345 3.710 20 0 CHADHL CC(C)(C)[C@H]1CC[C@H](OCCCCP(=O)([O-])[O-])CC1 ZINC001225019629 1135503264 /nfs/dbraw/zinc/50/32/64/1135503264.db2.gz ZBZZVFFAJLSYGJ-JOCQHMNTSA-N -2 3 292.356 3.566 20 0 CHADHL [O-]c1cc(F)cnc1Nc1cc(Cl)c([O-])c(Cl)c1 ZINC001210925705 1134329589 /nfs/dbraw/zinc/32/95/89/1134329589.db2.gz AUNWNUMFGOFFST-UHFFFAOYSA-N -2 3 289.093 3.682 20 0 CHADHL [O-]c1cc(Nc2cccc([S-])c2)c(F)cc1F ZINC001210947020 1134335004 /nfs/dbraw/zinc/33/50/04/1134335004.db2.gz AQMBBQMYBVAJCI-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL CCCC[C@@H](CC)[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019277 1127322408 /nfs/dbraw/zinc/32/24/08/1127322408.db2.gz VKKMEMLWTGEEAQ-KGLIPLIRSA-N -2 3 294.372 3.956 20 0 CHADHL CC(C)(C)C1CCC(OCCCCP(=O)([O-])[O-])CC1 ZINC001225023611 1127325932 /nfs/dbraw/zinc/32/59/32/1127325932.db2.gz ZBZZVFFAJLSYGJ-UHFFFAOYSA-N -2 3 292.356 3.566 20 0 CHADHL O=C(Nc1cccc([O-])c1F)c1ccc2ccccc2c1[O-] ZINC000539865627 1127950382 /nfs/dbraw/zinc/95/03/82/1127950382.db2.gz ZCNLWRRRAPFTSR-UHFFFAOYSA-N -2 3 297.285 3.642 20 0 CHADHL O=C([O-])c1ccc(Nc2cccc([O-])c2Cl)c(F)c1F ZINC001212514346 1120704278 /nfs/dbraw/zinc/70/42/78/1120704278.db2.gz OANJWENJOMQICT-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL O=C([O-])c1ccc([N-]c2nc3cc(Cl)ccc3o2)s1 ZINC001174802521 1121053617 /nfs/dbraw/zinc/05/36/17/1121053617.db2.gz FKUYSSXMSQUUQB-UHFFFAOYSA-N -2 3 294.719 3.985 20 0 CHADHL O=C(Nc1cc([O-])cc(Cl)c1)c1cccc([S-])c1 ZINC001186152838 1122377105 /nfs/dbraw/zinc/37/71/05/1122377105.db2.gz QSKOBFAPYMRMGC-UHFFFAOYSA-N -2 3 279.748 3.587 20 0 CHADHL O=C(Nc1cc(Cl)ccc1[O-])c1c([O-])cccc1Cl ZINC000049094144 1123098860 /nfs/dbraw/zinc/09/88/60/1123098860.db2.gz QPANAZFPTPQJBY-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL O=C([O-])c1cccc(Nc2cccc(Cl)c2[O-])c1F ZINC001210240740 1134176430 /nfs/dbraw/zinc/17/64/30/1134176430.db2.gz GMWKNHQCVUTIEQ-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL O=C([O-])CCc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001213629687 1134471037 /nfs/dbraw/zinc/47/10/37/1134471037.db2.gz LDZRWXRHRROOJK-UHFFFAOYSA-N -2 3 291.734 3.806 20 0 CHADHL C[C@H](Oc1c([O-])cc(Br)cc1F)C1=CC=C[CH]1 ZINC001227589042 1135847968 /nfs/dbraw/zinc/84/79/68/1135847968.db2.gz XWIKGCDFWWDJPI-QMMMGPOBSA-N -2 3 298.131 3.762 20 0 CHADHL O=c1cc(C=Cc2ccc([O-])c(Cl)c2)nc(C2CC2)[n-]1 ZINC000436932039 330688916 /nfs/dbraw/zinc/68/89/16/330688916.db2.gz MDYGDTKBOSKMGU-ORCRQEGFSA-N -2 3 288.734 3.589 20 0 CHADHL O=C(Nc1cccc([O-])c1F)c1cc2ccccc2cc1[O-] ZINC000180019118 335541516 /nfs/dbraw/zinc/54/15/16/335541516.db2.gz XPBCERNCQYUWFG-UHFFFAOYSA-N -2 3 297.285 3.642 20 0 CHADHL O=C([O-])c1cc(Cl)cc(Nc2c(F)cc([O-])cc2F)c1 ZINC001211969511 1125546279 /nfs/dbraw/zinc/54/62/79/1125546279.db2.gz NJXMVZOOWZJXSW-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL Cc1cc(Nc2cccc([O-])c2Cl)ccc1C(=O)[O-] ZINC001211658652 1120637041 /nfs/dbraw/zinc/63/70/41/1120637041.db2.gz WEDJHFKAMBEWOB-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL Cc1ccc(Nc2csc(C(=O)[O-])c2)c(Cl)c1[O-] ZINC001176439157 1121622804 /nfs/dbraw/zinc/62/28/04/1121622804.db2.gz NEFQRXGQNIYNNB-UHFFFAOYSA-N -2 3 283.736 3.857 20 0 CHADHL O=C([O-])/C=C/c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001176596648 1121651747 /nfs/dbraw/zinc/65/17/47/1121651747.db2.gz HJBQAVCOROIHPF-ZZXKWVIFSA-N -2 3 291.253 3.512 20 0 CHADHL O=C([O-])c1ccc(Nc2cc(Cl)c([O-])cc2Cl)cn1 ZINC001210175621 1134159665 /nfs/dbraw/zinc/15/96/65/1134159665.db2.gz LWAGXFDMFQFFSY-UHFFFAOYSA-N -2 3 299.113 3.536 20 0 CHADHL [O-]c1c(F)cc(Nc2ccc(Cl)c([O-])c2F)cc1F ZINC001214801539 1134575215 /nfs/dbraw/zinc/57/52/15/1134575215.db2.gz OOTGKCRXLDQZTI-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL [O-]c1cc(F)c(Nc2ccc(Cl)c([O-])c2F)c(F)c1 ZINC001214806834 1134576539 /nfs/dbraw/zinc/57/65/39/1134576539.db2.gz MDSAAKGXWRWURD-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL CC(C)C[C@@H](C)C[C@H](CC(C)C)OCCP(=O)([O-])[O-] ZINC001224607724 1135461603 /nfs/dbraw/zinc/46/16/03/1135461603.db2.gz UVYIJWCRDNUMLD-KGLIPLIRSA-N -2 3 294.372 3.668 20 0 CHADHL [O-]c1cc(Nc2ccc(Cl)c([O-])c2F)cc(F)c1F ZINC001214802301 1134575012 /nfs/dbraw/zinc/57/50/12/1134575012.db2.gz ZURDCSSJXPNMDQ-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL O=C(Nc1ccc([O-])c(Cl)c1)c1ccc([O-])c(Cl)c1 ZINC000085204475 1118231513 /nfs/dbraw/zinc/23/15/13/1118231513.db2.gz MVPNDWQEOWKUKW-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL Cc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c(Cl)c1[O-] ZINC001175160764 1121189537 /nfs/dbraw/zinc/18/95/37/1121189537.db2.gz SVDIFGCBEQQUJZ-UHFFFAOYSA-N -2 3 295.697 3.935 20 0 CHADHL O=C([O-])c1cc(Nc2ccc([O-])c(Cl)c2)ccc1F ZINC001175220189 1121227929 /nfs/dbraw/zinc/22/79/29/1121227929.db2.gz MNZGMUCHXOLMSR-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL O=C([O-])/C=C/c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001176593262 1121649910 /nfs/dbraw/zinc/64/99/10/1121649910.db2.gz XNFFWGSZAMEFCH-FPYGCLRLSA-N -2 3 291.253 3.512 20 0 CHADHL O=C([O-])/C=C/c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001176595407 1121650593 /nfs/dbraw/zinc/65/05/93/1121650593.db2.gz ODPGBZAPJXOQCS-FPYGCLRLSA-N -2 3 289.718 3.887 20 0 CHADHL O=C([O-])/C=C/c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001174497021 1132862633 /nfs/dbraw/zinc/86/26/33/1132862633.db2.gz AKOIYMGASKULDO-SNAWJCMRSA-N -2 3 291.253 3.512 20 0 CHADHL Cc1ccc(Nc2ccccc2C(=O)[O-])c(Cl)c1[O-] ZINC001210968026 1134341072 /nfs/dbraw/zinc/34/10/72/1134341072.db2.gz AEASEJMCEPBFKH-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL [O-]c1cc(F)c(Nc2ccc(Cl)c([O-])c2F)cc1F ZINC001214804643 1134575649 /nfs/dbraw/zinc/57/56/49/1134575649.db2.gz VSOJWBQXINJIGM-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL CCCCC[C@@H](OCCP(=O)([O-])[O-])[C@@H](C)CCC ZINC001224602547 1135461507 /nfs/dbraw/zinc/46/15/07/1135461507.db2.gz RUPAZMUMKIGLDP-QWHCGFSZSA-N -2 3 280.345 3.566 20 0 CHADHL Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c([O-])c1 ZINC000186297758 262088102 /nfs/dbraw/zinc/08/81/02/262088102.db2.gz ITVVPOHSTSIBSN-GFCCVEGCSA-N -2 3 297.354 3.560 20 0 CHADHL CC(C)c1ccc2nc(-c3ccc([O-])c(F)c3)[n-]c(=O)c2c1 ZINC000128661797 333693072 /nfs/dbraw/zinc/69/30/72/333693072.db2.gz CLVRGVXKRTYITP-UHFFFAOYSA-N -2 3 298.317 3.558 20 0 CHADHL CCCC[C@@H](OCCCCP(=O)([O-])[O-])[C@@H](C)CCC ZINC001225018673 1127320138 /nfs/dbraw/zinc/32/01/38/1127320138.db2.gz DXMVFRKLIYIVGP-UONOGXRCSA-N -2 3 294.372 3.956 20 0 CHADHL Cc1cc(Nc2ccc([O-])c(Cl)c2)ccc1C(=O)[O-] ZINC001211658181 1120619968 /nfs/dbraw/zinc/61/99/68/1120619968.db2.gz DKWRQAXFBJRBPN-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL Cc1ccc(C(=O)[O-])cc1Nc1cccc(Cl)c1[O-] ZINC001174982704 1121141477 /nfs/dbraw/zinc/14/14/77/1121141477.db2.gz UNAIBHUPYJTRSA-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL O=C([O-])c1cc(Nc2cccc(Cl)c2[O-])cs1 ZINC001176439458 1121622474 /nfs/dbraw/zinc/62/24/74/1121622474.db2.gz QHPMBJDCEOMTIF-UHFFFAOYSA-N -2 3 269.709 3.549 20 0 CHADHL O=C([O-])/C=C/c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001176595096 1121650382 /nfs/dbraw/zinc/65/03/82/1121650382.db2.gz GIGOHXOWPYCZBH-ZZXKWVIFSA-N -2 3 291.253 3.512 20 0 CHADHL [O-]c1cc(F)c(Nc2cc(F)c([O-])c(Cl)c2)cc1F ZINC001214491628 1134544536 /nfs/dbraw/zinc/54/45/36/1134544536.db2.gz GMMNXBAVLSXHRH-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL CCC[C@@H](OCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001225018884 1135502882 /nfs/dbraw/zinc/50/28/82/1135502882.db2.gz KSUFENSHQLIMMD-CQSZACIVSA-N -2 3 286.308 3.502 20 0 CHADHL O=C([O-])c1cc(Cl)cc(Nc2ncc(Cl)cc2[O-])c1 ZINC001211960495 1125526432 /nfs/dbraw/zinc/52/64/32/1125526432.db2.gz CPJCPHHCBIVUCZ-UHFFFAOYSA-N -2 3 299.113 3.536 20 0 CHADHL CCC[C@H](OCCCCP(=O)([O-])[O-])C1CCCCC1 ZINC001225018753 1127321358 /nfs/dbraw/zinc/32/13/58/1127321358.db2.gz HFIMXYIKIVJIHV-AWEZNQCLSA-N -2 3 292.356 3.710 20 0 CHADHL O=C([O-])c1ccc(Nc2cc([O-])c(F)cc2F)cc1Cl ZINC001175319351 1121280647 /nfs/dbraw/zinc/28/06/47/1121280647.db2.gz UGHSGVFWMJGNRL-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL O=C([O-])c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1Cl ZINC001175319140 1121281020 /nfs/dbraw/zinc/28/10/20/1121281020.db2.gz NTBYXSTVYWDANY-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL O=C([O-])c1cncc(Nc2cc(Cl)c([O-])cc2Cl)c1 ZINC001175841648 1121470874 /nfs/dbraw/zinc/47/08/74/1121470874.db2.gz PQIUSRDHTISHPH-UHFFFAOYSA-N -2 3 299.113 3.536 20 0 CHADHL Cc1ccc(Nc2ccc(C(=O)[O-])cc2F)c(Cl)c1[O-] ZINC001203292379 1133311302 /nfs/dbraw/zinc/31/13/02/1133311302.db2.gz NDTORYCSNHBVFS-UHFFFAOYSA-N -2 3 295.697 3.935 20 0 CHADHL O=C([O-])c1sccc1Nc1cccc([O-])c1Cl ZINC001215395532 1134623576 /nfs/dbraw/zinc/62/35/76/1134623576.db2.gz LFPQQHGJBPJLAQ-UHFFFAOYSA-N -2 3 269.709 3.549 20 0 CHADHL O=c1[n-]c(-c2cc([O-])cc(Cl)c2)nc2cc(F)ccc12 ZINC000352207532 228199277 /nfs/dbraw/zinc/19/92/77/228199277.db2.gz YZHCDEKEUYKHRY-UHFFFAOYSA-N -2 3 290.681 3.501 20 0 CHADHL O=c1[n-]c(-c2cc([O-])cc(Cl)c2)nc2cccc(F)c12 ZINC000672773373 1120351715 /nfs/dbraw/zinc/35/17/15/1120351715.db2.gz AWISMXXMHKIYLM-UHFFFAOYSA-N -2 3 290.681 3.501 20 0 CHADHL O=C([O-])c1ccc(Nc2cccc([O-])c2Cl)s1 ZINC001174809470 1121056637 /nfs/dbraw/zinc/05/66/37/1121056637.db2.gz JQXXMJDQJSQTGI-UHFFFAOYSA-N -2 3 269.709 3.549 20 0 CHADHL O=C([O-])c1ccc(Nc2ccc([O-])c(Cl)c2)cc1F ZINC001175157517 1121188463 /nfs/dbraw/zinc/18/84/63/1121188463.db2.gz GCQIXPCIQHLTIF-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL O=C([O-])c1cc(Nc2nc3c(cccc3[O-])s2)cs1 ZINC001176436977 1121621228 /nfs/dbraw/zinc/62/12/28/1121621228.db2.gz MRKYOOOUDGYVKW-UHFFFAOYSA-N -2 3 292.341 3.505 20 0 CHADHL Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc([O-])c(Cl)c1 ZINC001210007895 1134121277 /nfs/dbraw/zinc/12/12/77/1134121277.db2.gz KSFCENOVIRPMOY-UHFFFAOYSA-N -2 3 295.697 3.935 20 0 CHADHL O=C([O-])c1cccc(Nc2ccc([O-])c(Cl)c2)c1F ZINC001210242811 1134177698 /nfs/dbraw/zinc/17/76/98/1134177698.db2.gz STLRFNRYXWVUAO-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL [O-]c1ccc(Nc2cccc([S-])c2)c(F)c1F ZINC001210947716 1134336905 /nfs/dbraw/zinc/33/69/05/1134336905.db2.gz VFYFJPNORQZFJK-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL Cc1cc(Nc2cc([O-])c(F)cc2F)cc(C)c1C(=O)[O-] ZINC001216311937 1134846599 /nfs/dbraw/zinc/84/65/99/1134846599.db2.gz VXXHUERUFIOQPY-UHFFFAOYSA-N -2 3 293.269 3.729 20 0 CHADHL O=C([O-])c1cc(Nc2cccc([O-])c2Cl)ccc1F ZINC001175220177 1121228099 /nfs/dbraw/zinc/22/80/99/1121228099.db2.gz LYJJXIOPAYSTDI-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL [O-]c1ccc(F)c(Nc2ccccc2[S-])c1F ZINC001175264277 1121267815 /nfs/dbraw/zinc/26/78/15/1121267815.db2.gz FOFRSVDKABKAOB-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL [O-]c1ccc(-c2ccc3oc(=S)[n-]c3c2)cc1F ZINC001240787153 1130471651 /nfs/dbraw/zinc/47/16/51/1130471651.db2.gz ONVBHTAQKUPHPK-UHFFFAOYSA-N -2 3 261.277 3.628 20 0 CHADHL O=C([O-])/C=C/c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001174500468 1132901073 /nfs/dbraw/zinc/90/10/73/1132901073.db2.gz RZIWZICWXRPARC-BQYQJAHWSA-N -2 3 289.718 3.887 20 0 CHADHL O=c1[n-]c(-c2ccc([O-])cc2Cl)nc2ccc(F)cc12 ZINC000527368004 328673522 /nfs/dbraw/zinc/67/35/22/328673522.db2.gz KMPKQLNOPFNQJD-UHFFFAOYSA-N -2 3 290.681 3.501 20 0 CHADHL O=C([O-])c1ccc2nc(/C=C/c3cccc([O-])c3)sc2c1 ZINC000431549076 330586359 /nfs/dbraw/zinc/58/63/59/330586359.db2.gz GQSJYTOVUHFOPZ-QPJJXVBHSA-N -2 3 297.335 3.871 20 0 CHADHL [O-]c1ccc(Nc2ccccc2[S-])c(F)c1F ZINC001212007692 1125646765 /nfs/dbraw/zinc/64/67/65/1125646765.db2.gz XWXIUUFHPZTWQD-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL CCCC[C@H](OCCCCP(=O)([O-])[O-])[C@@H](C)CCC ZINC001225018671 1127320159 /nfs/dbraw/zinc/32/01/59/1127320159.db2.gz DXMVFRKLIYIVGP-KBPBESRZSA-N -2 3 294.372 3.956 20 0 CHADHL Cc1cc(C(=O)[O-])ccc1Nc1cccc(Cl)c1[O-] ZINC001211622437 1119583177 /nfs/dbraw/zinc/58/31/77/1119583177.db2.gz FDIXBJSNDBWJRF-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL Cc1ccc2nc(-c3ccc([O-])c(Cl)c3)[n-]c(=O)c2c1 ZINC000436593727 1122563155 /nfs/dbraw/zinc/56/31/55/1122563155.db2.gz DHMLXMQZHKAIJS-UHFFFAOYSA-N -2 3 286.718 3.670 20 0 CHADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1ccccc1[O-] ZINC000033884755 1123480863 /nfs/dbraw/zinc/48/08/63/1123480863.db2.gz OGGDKKRKBCZXHR-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL C[C@@H](Oc1cccc([O-])c1Br)C1=CC=C[CH]1 ZINC001229141103 1132026263 /nfs/dbraw/zinc/02/62/63/1132026263.db2.gz IRQXICOITVRICY-SECBINFHSA-N -2 3 280.141 3.622 20 0 CHADHL [S-]c1cc([S-])cc(N[C@H]2CNCc3ccsc32)c1 ZINC001163230237 1133139131 /nfs/dbraw/zinc/13/91/31/1133139131.db2.gz NOEVHRGWSUWCTR-LBPRGKRZSA-N -2 3 294.470 3.582 20 0 CHADHL O=C([O-])c1cccc(Nc2cccc([O-])c2Cl)c1F ZINC001210242997 1134177595 /nfs/dbraw/zinc/17/75/95/1134177595.db2.gz XROSYHFVGUSWMA-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL O=C([O-])c1ccc(Nc2c(Cl)ccc([O-])c2F)cc1 ZINC001214561259 1134552540 /nfs/dbraw/zinc/55/25/40/1134552540.db2.gz CDGNZPIVPRJJSV-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL CCCCC[C@H](OCCCCP(=O)([O-])[O-])C(C)C ZINC001225018594 1135502523 /nfs/dbraw/zinc/50/25/23/1135502523.db2.gz BPONWTYFIQIXKZ-ZDUSSCGKSA-N -2 3 280.345 3.566 20 0 CHADHL Cc1cc(C(=O)/C=C/c2ccc([O-])c(Cl)c2)ccc1[O-] ZINC000077166026 1128796204 /nfs/dbraw/zinc/79/62/04/1128796204.db2.gz SIEFXVWKLBTSGA-GORDUTHDSA-N -2 3 288.730 3.956 20 0 CHADHL Cc1ccc(Nc2ccc(C(=O)[O-])s2)c(Cl)c1[O-] ZINC001174806482 1121054055 /nfs/dbraw/zinc/05/40/55/1121054055.db2.gz CMGKJZOYVFWVAW-UHFFFAOYSA-N -2 3 283.736 3.857 20 0 CHADHL Cc1ccc(Nc2cccc(C(=O)[O-])c2)c(Cl)c1[O-] ZINC001175331018 1121287235 /nfs/dbraw/zinc/28/72/35/1121287235.db2.gz IFMCEUMPLPMAPX-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL [O-]c1c(F)cc(F)c([N-]c2nc3ccc(F)cc3o2)c1F ZINC001176662598 1121678969 /nfs/dbraw/zinc/67/89/69/1121678969.db2.gz SZJWDGPIWJCMNH-UHFFFAOYSA-N -2 3 298.195 3.833 20 0 CHADHL [O-]c1cc(F)c(Nc2cc([O-])c(F)c(F)c2F)c(F)c1 ZINC001249965733 1121987602 /nfs/dbraw/zinc/98/76/02/1121987602.db2.gz JGUYJFBFCYTCJB-UHFFFAOYSA-N -2 3 291.175 3.537 20 0 CHADHL O=C(Nc1ccc([O-])c(Cl)c1)c1c([O-])cccc1Cl ZINC000780992018 1130698849 /nfs/dbraw/zinc/69/88/49/1130698849.db2.gz PGLDXZMSRIYEAK-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL [O-]c1cc(Nc2cc(F)c([O-])c(Cl)c2)c(F)cc1F ZINC001214488787 1134544258 /nfs/dbraw/zinc/54/42/58/1134544258.db2.gz LWXFXNZAHRZZJC-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL [O-]c1ccc(Cl)c(Nc2ccnc(Cl)c2[O-])c1F ZINC001214557594 1134550825 /nfs/dbraw/zinc/55/08/25/1134550825.db2.gz CXTULIGQHMZEAC-UHFFFAOYSA-N -2 3 289.093 3.682 20 0 CHADHL O=C([O-])c1sccc1Nc1cccc(Cl)c1[O-] ZINC001215394292 1134622596 /nfs/dbraw/zinc/62/25/96/1134622596.db2.gz SSVCFIXBRGLWDY-UHFFFAOYSA-N -2 3 269.709 3.549 20 0 CHADHL Cc1cc(Nc2c(F)cc([O-])cc2F)cc(C)c1C(=O)[O-] ZINC001216312653 1134846329 /nfs/dbraw/zinc/84/63/29/1134846329.db2.gz OVWGVTUGLJQFIJ-UHFFFAOYSA-N -2 3 293.269 3.729 20 0 CHADHL O=C([O-])c1ccc2nc(/C=C/c3ccc([O-])cc3)ccc2c1 ZINC000436669102 330682589 /nfs/dbraw/zinc/68/25/89/330682589.db2.gz ZVKBRNNFNMFBLJ-LZCJLJQNSA-N -2 3 291.306 3.809 20 0 CHADHL Cc1ccc(C(=O)[O-])cc1Nc1ccc([O-])c(Cl)c1 ZINC001174981405 1121140222 /nfs/dbraw/zinc/14/02/22/1121140222.db2.gz BDORINNWXNBBOG-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL O=C([O-])c1ccc(Nc2cccc([O-])c2Cl)cc1F ZINC001175160954 1121189313 /nfs/dbraw/zinc/18/93/13/1121189313.db2.gz XGEBZUBQRSRITB-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL [O-]c1ccc(F)c(Nc2ccc([S-])cc2)c1F ZINC001175267925 1121269789 /nfs/dbraw/zinc/26/97/89/1121269789.db2.gz CZFDAOMNOYJYJG-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL O=C([O-])c1ccc(Nc2ccc([O-])c(F)c2F)cc1Cl ZINC001175315733 1121280602 /nfs/dbraw/zinc/28/06/02/1121280602.db2.gz KNRJYSIODTVUMQ-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL O=C1c2ccc([O-])cc2C/C1=C\c1ccc([O-])c(Cl)c1 ZINC000187225135 1129478397 /nfs/dbraw/zinc/47/83/97/1129478397.db2.gz JPGAUYOWJJASJV-VZUCSPMQSA-N -2 3 286.714 3.574 20 0 CHADHL Cc1c(F)c(-c2ccc([O-])c(F)c2)ccc1[S-] ZINC001240787870 1130471111 /nfs/dbraw/zinc/47/11/11/1130471111.db2.gz UVKDGJVLIMUHGR-UHFFFAOYSA-N -2 3 252.285 3.935 20 0 CHADHL [O-]c1cc(F)cc(F)c1Nc1ccc(Cl)c([O-])c1F ZINC001214798994 1134575298 /nfs/dbraw/zinc/57/52/98/1134575298.db2.gz FZVXGQZHTXHJHW-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL CCCC[C@@H](CC)C[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019034 1135502850 /nfs/dbraw/zinc/50/28/50/1135502850.db2.gz PGWWGNICPYUTNX-ZIAGYGMSSA-N -2 3 294.372 3.956 20 0 CHADHL CCCC[C@H](CC)C[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019032 1135502755 /nfs/dbraw/zinc/50/27/55/1135502755.db2.gz PGWWGNICPYUTNX-KGLIPLIRSA-N -2 3 294.372 3.956 20 0 CHADHL COc1cc(Nc2c(F)cc([O-])cc2F)ccc1[S-] ZINC001175102289 1121166123 /nfs/dbraw/zinc/16/61/23/1121166123.db2.gz GLTARCLLWSOFSI-UHFFFAOYSA-N -2 3 283.299 3.711 20 0 CHADHL O=C([O-])/C=C/c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001174496079 1132862069 /nfs/dbraw/zinc/86/20/69/1132862069.db2.gz BOXFKQQLUSBXNV-SNAWJCMRSA-N -2 3 291.253 3.512 20 0 CHADHL Cc1ccc(Nc2ccsc2C(=O)[O-])c(Cl)c1[O-] ZINC001215395845 1134623468 /nfs/dbraw/zinc/62/34/68/1134623468.db2.gz SHHDTBYHYAJZHP-UHFFFAOYSA-N -2 3 283.736 3.857 20 0 CHADHL Cc1cc(Nc2cc(F)c([O-])c(F)c2)cc(C)c1C(=O)[O-] ZINC001216312022 1134846450 /nfs/dbraw/zinc/84/64/50/1134846450.db2.gz XNYWXOVUNZFQFB-UHFFFAOYSA-N -2 3 293.269 3.729 20 0 CHADHL CCc1cc(C(=O)Nc2cccc(Cl)c2[O-])ccc1[O-] ZINC000553461974 334386484 /nfs/dbraw/zinc/38/64/84/334386484.db2.gz FESXYMPVUCTWCZ-UHFFFAOYSA-N -2 3 291.734 3.566 20 0 CHADHL [O-]c1cc(Cl)cnc1Nc1ccc(Cl)c([O-])c1F ZINC001214793949 1132550986 /nfs/dbraw/zinc/55/09/86/1132550986.db2.gz QEOVYWLDCQHWMM-UHFFFAOYSA-N -2 3 289.093 3.682 20 0 CHADHL CCCC[C@@H](OCCCCP(=O)([O-])[O-])[C@H](C)CCC ZINC001225018674 1127320432 /nfs/dbraw/zinc/32/04/32/1127320432.db2.gz DXMVFRKLIYIVGP-ZIAGYGMSSA-N -2 3 294.372 3.956 20 0 CHADHL O=C(Nc1c([O-])cccc1F)c1ccc2ccccc2c1[O-] ZINC000092550984 1119341663 /nfs/dbraw/zinc/34/16/63/1119341663.db2.gz YAKAWQBFTVJWPA-UHFFFAOYSA-N -2 3 297.285 3.642 20 0 CHADHL O=C(Nc1cc(Cl)ccc1[O-])c1cc(Cl)ccc1[O-] ZINC000040848866 1121426173 /nfs/dbraw/zinc/42/61/73/1121426173.db2.gz QCMHICCBYBKRCY-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL [O-]c1ccc(F)c([N-]c2nnc(-c3ccco3)o2)c1Cl ZINC001250228370 1122374448 /nfs/dbraw/zinc/37/44/48/1122374448.db2.gz ZAOOIRJAIJHQRI-UHFFFAOYSA-N -2 3 295.657 3.571 20 0 CHADHL O=C([O-])/C=C/c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001174496246 1132862567 /nfs/dbraw/zinc/86/25/67/1132862567.db2.gz HWFWXKGJMNQEJV-SNAWJCMRSA-N -2 3 291.253 3.512 20 0 CHADHL Cc1ccc(Nc2cc(F)cc(C(=O)[O-])c2)c(Cl)c1[O-] ZINC001209890826 1134097074 /nfs/dbraw/zinc/09/70/74/1134097074.db2.gz XJTZZURRUFRMSY-UHFFFAOYSA-N -2 3 295.697 3.935 20 0 CHADHL Cc1c(Nc2cccc(Cl)c2[O-])cccc1C(=O)[O-] ZINC001216661304 1134941140 /nfs/dbraw/zinc/94/11/40/1134941140.db2.gz DZYNSXMONGOGKA-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL O=C(Nc1ccc([O-])c(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000085204412 1118230888 /nfs/dbraw/zinc/23/08/88/1118230888.db2.gz HHUBQWKHWYXRAP-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL O=C([O-])c1ccc(Nc2ncc(Cl)cc2[O-])cc1Cl ZINC001175317511 1121280961 /nfs/dbraw/zinc/28/09/61/1121280961.db2.gz ZWLDHKVVURMNAR-UHFFFAOYSA-N -2 3 299.113 3.536 20 0 CHADHL Cc1ccc(Nc2ccc(C(=O)[O-])cc2)c(Cl)c1[O-] ZINC001176715280 1121691628 /nfs/dbraw/zinc/69/16/28/1121691628.db2.gz LROKJWPWPBZOKU-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL O=C([O-])CCc1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001213631709 1134470908 /nfs/dbraw/zinc/47/09/08/1134470908.db2.gz APUJCEGWIFZIRH-UHFFFAOYSA-N -2 3 291.734 3.806 20 0 CHADHL [O-]c1ccc(Nc2ccc(Cl)c([O-])c2F)c(F)c1F ZINC001214798926 1134573969 /nfs/dbraw/zinc/57/39/69/1134573969.db2.gz BTEVJPCGGDIXRG-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL CCCCC[C@@H](OCCP(=O)([O-])[O-])[C@H](C)CCC ZINC001224602545 1135461521 /nfs/dbraw/zinc/46/15/21/1135461521.db2.gz RUPAZMUMKIGLDP-CHWSQXEVSA-N -2 3 280.345 3.566 20 0 CHADHL CCC[C@H](OCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001225018883 1135503333 /nfs/dbraw/zinc/50/33/33/1135503333.db2.gz KSUFENSHQLIMMD-AWEZNQCLSA-N -2 3 286.308 3.502 20 0 CHADHL O=P([O-])([O-])CCOC1CCCCCCCCCCC1 ZINC001224608094 1135461485 /nfs/dbraw/zinc/46/14/85/1135461485.db2.gz YZNUCVDBVRLATL-UHFFFAOYSA-N -2 3 292.356 3.854 20 0 CHADHL C[C@@H](Oc1c([O-])cc(Br)cc1F)C1=CC=C[CH]1 ZINC001227589041 1135847980 /nfs/dbraw/zinc/84/79/80/1135847980.db2.gz XWIKGCDFWWDJPI-MRVPVSSYSA-N -2 3 298.131 3.762 20 0 CHADHL CCCC[C@H](OCCCCP(=O)([O-])[O-])[C@H](C)CCC ZINC001225018672 1127320569 /nfs/dbraw/zinc/32/05/69/1127320569.db2.gz DXMVFRKLIYIVGP-KGLIPLIRSA-N -2 3 294.372 3.956 20 0 CHADHL CCCC[C@H](CC)[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019276 1127322463 /nfs/dbraw/zinc/32/24/63/1127322463.db2.gz VKKMEMLWTGEEAQ-KBPBESRZSA-N -2 3 294.372 3.956 20 0 CHADHL O=C([O-])c1ccc(Nc2nc3c(cccc3[O-])s2)s1 ZINC001174806012 1121054016 /nfs/dbraw/zinc/05/40/16/1121054016.db2.gz NWHXCCZBAKXBFY-UHFFFAOYSA-N -2 3 292.341 3.505 20 0 CHADHL O=C([O-])c1ccc(Nc2cccc(Cl)c2[O-])c(F)c1 ZINC001203292892 1122641129 /nfs/dbraw/zinc/64/11/29/1122641129.db2.gz NEXHYWBQLALTFS-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL [O-]c1cc(-c2ccc3oc(=S)[n-]c3c2)ccc1F ZINC001243049755 1130194655 /nfs/dbraw/zinc/19/46/55/1130194655.db2.gz UEWRVNZJSYFPRY-UHFFFAOYSA-N -2 3 261.277 3.628 20 0 CHADHL O=C([O-])c1cc(F)cc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001209888946 1134096253 /nfs/dbraw/zinc/09/62/53/1134096253.db2.gz HPCBRYQQZGYLEN-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL O=C([O-])Cc1ccc(F)c(Nc2cccc(Cl)c2[O-])c1 ZINC001216682750 1134943762 /nfs/dbraw/zinc/94/37/62/1134943762.db2.gz BBDIMAXUGYCVJD-UHFFFAOYSA-N -2 3 295.697 3.555 20 0 CHADHL CCCCCC[C@@H](CCCC)OCCP(=O)([O-])[O-] ZINC001224601043 1135461793 /nfs/dbraw/zinc/46/17/93/1135461793.db2.gz DLEIZSYPPRXMCE-CYBMUJFWSA-N -2 3 280.345 3.710 20 0 CHADHL CC(C)c1ccc2nc(-c3cc([O-])cc(F)c3)[n-]c(=O)c2c1 ZINC000569503993 327186487 /nfs/dbraw/zinc/18/64/87/327186487.db2.gz QYZNJPWBZVEQCW-UHFFFAOYSA-N -2 3 298.317 3.971 20 0 CHADHL Cc1ccc(Nc2ccc([O-])c(Cl)c2)cc1C(=O)[O-] ZINC001211603635 1119438831 /nfs/dbraw/zinc/43/88/31/1119438831.db2.gz APMJRDHCTWXBIG-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL O=C([O-])c1ccc(Nc2ccc([O-])c(Cl)c2)c(F)c1F ZINC001212514472 1121016606 /nfs/dbraw/zinc/01/66/06/1121016606.db2.gz UTLGEKVYGIYVRI-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL O=C([O-])c1ccc2oc(/C=C\c3ccc([O-])c(F)c3)nc2c1 ZINC000436786785 1122582950 /nfs/dbraw/zinc/58/29/50/1122582950.db2.gz ZKLZKBIGLIJNPN-KXFIGUGUSA-N -2 3 299.257 3.541 20 0 CHADHL O=C([O-])c1ccc2nc(/C=C\c3ccc([O-])c(F)c3)oc2c1 ZINC000436787090 1122583058 /nfs/dbraw/zinc/58/30/58/1122583058.db2.gz ZYHBRHHYBVHKJS-KXFIGUGUSA-N -2 3 299.257 3.541 20 0 CHADHL O=C([O-])CCc1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001213631806 1134471085 /nfs/dbraw/zinc/47/10/85/1134471085.db2.gz GIVLCHQBPWJVBG-UHFFFAOYSA-N -2 3 291.734 3.806 20 0 CHADHL [O-]c1cc(F)c(Nc2cc(F)c([O-])c(Cl)c2)c(F)c1 ZINC001214491592 1134544650 /nfs/dbraw/zinc/54/46/50/1134544650.db2.gz DOPNBDWPBTZJTQ-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL C[C@H](Oc1c([O-])cc(Cl)cc1F)C1=CC=C[CH]1 ZINC001234447040 1128189830 /nfs/dbraw/zinc/18/98/30/1128189830.db2.gz IIZPHPPWYKHBAW-QMMMGPOBSA-N -2 3 253.680 3.652 20 0 CHADHL O=C([O-])c1cc(F)cc(Nc2cccc(Cl)c2[O-])c1 ZINC001209890066 1134096040 /nfs/dbraw/zinc/09/60/40/1134096040.db2.gz WIFSSMHZPHHXME-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL [O-]c1c(F)cc(Nc2cc(F)c([O-])c(Cl)c2)cc1F ZINC001214488337 1134543466 /nfs/dbraw/zinc/54/34/66/1134543466.db2.gz CQXFGZLRIZWLHP-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL [O-]c1ccc(Nc2cc(F)c([O-])c(Cl)c2)c(F)c1F ZINC001214486451 1134544047 /nfs/dbraw/zinc/54/40/47/1134544047.db2.gz ISLFBBMWFLEYLK-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL Cc1cc(Nc2ccc([O-])c(F)c2F)cc(C)c1C(=O)[O-] ZINC001216311682 1134847156 /nfs/dbraw/zinc/84/71/56/1134847156.db2.gz PFZSYJQBTNKJFR-UHFFFAOYSA-N -2 3 293.269 3.729 20 0 CHADHL CC(C)C[C@H](C)C[C@H](CC(C)C)OCCP(=O)([O-])[O-] ZINC001224607720 1135461335 /nfs/dbraw/zinc/46/13/35/1135461335.db2.gz UVYIJWCRDNUMLD-KBPBESRZSA-N -2 3 294.372 3.668 20 0 CHADHL CCCCC[C@H](OCCP(=O)([O-])[O-])[C@@H](C)CCC ZINC001224602548 1135461362 /nfs/dbraw/zinc/46/13/62/1135461362.db2.gz RUPAZMUMKIGLDP-STQMWFEESA-N -2 3 280.345 3.566 20 0 CHADHL O=c1[n-]c(-c2ccc([O-])c(Cl)c2)nc2cccc(F)c12 ZINC000591726294 1127314910 /nfs/dbraw/zinc/31/49/10/1127314910.db2.gz HRPHYIOKARLSAQ-UHFFFAOYSA-N -2 3 290.681 3.501 20 0 CHADHL O=C([O-])/C=C/c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001176595591 1121650200 /nfs/dbraw/zinc/65/02/00/1121650200.db2.gz QDCORQDNOQEWQG-ZZXKWVIFSA-N -2 3 291.253 3.512 20 0 CHADHL O=C([O-])/C=C/c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001176596134 1121651532 /nfs/dbraw/zinc/65/15/32/1121651532.db2.gz XWWCCGDJVGNIEC-RMKNXTFCSA-N -2 3 289.718 3.887 20 0 CHADHL [O-]c1cc(F)c(Nc2cc(Cl)c([O-])cc2F)c(F)c1 ZINC001250025983 1122092619 /nfs/dbraw/zinc/09/26/19/1122092619.db2.gz KMBUQEJROMOARQ-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Cl)cc1[O-] ZINC000436711668 1122574756 /nfs/dbraw/zinc/57/47/56/1122574756.db2.gz BASIAUBIWDNYBF-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL O=C(Nc1cc(Cl)ccc1[O-])c1cccc(Cl)c1[O-] ZINC000775781612 1122966602 /nfs/dbraw/zinc/96/66/02/1122966602.db2.gz PXERLKLWKAUTHV-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL O=C([O-])c1cc(F)cc(Nc2cccc([O-])c2Cl)c1 ZINC001209890418 1134097158 /nfs/dbraw/zinc/09/71/58/1134097158.db2.gz MMKSRLCAZJGLGA-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL O=C([O-])c1sccc1Nc1nc2c(cccc2[O-])s1 ZINC001215383765 1134622128 /nfs/dbraw/zinc/62/21/28/1134622128.db2.gz NWNYRKDVELYURV-UHFFFAOYSA-N -2 3 292.341 3.505 20 0 CHADHL CCCC[C@H](CC)C[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019031 1135503094 /nfs/dbraw/zinc/50/30/94/1135503094.db2.gz PGWWGNICPYUTNX-KBPBESRZSA-N -2 3 294.372 3.956 20 0 CHADHL CCCC[C@H](CC)[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019280 1127322450 /nfs/dbraw/zinc/32/24/50/1127322450.db2.gz VKKMEMLWTGEEAQ-UONOGXRCSA-N -2 3 294.372 3.956 20 0 CHADHL O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(Cl)cc1[O-] ZINC000085204410 1120046449 /nfs/dbraw/zinc/04/64/49/1120046449.db2.gz BJFZEVNMPGUKQL-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL O=C([O-])c1ccc(Nc2c(F)cc([O-])cc2F)cc1Cl ZINC001175322014 1121282354 /nfs/dbraw/zinc/28/23/54/1121282354.db2.gz QHZGBPZXQHSJEM-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL [O-]c1cc(Nc2c(F)cc(F)c([O-])c2F)c(F)cc1F ZINC001176672453 1121673503 /nfs/dbraw/zinc/67/35/03/1121673503.db2.gz WHAFUABJVMBVMQ-UHFFFAOYSA-N -2 3 291.175 3.537 20 0 CHADHL [O-]c1cc(F)c(Nc2ccnc(Cl)c2[O-])cc1Cl ZINC001250023339 1122085342 /nfs/dbraw/zinc/08/53/42/1122085342.db2.gz JFEKGQAUDDOEQM-UHFFFAOYSA-N -2 3 289.093 3.682 20 0 CHADHL O=C([O-])c1c(F)cc(Nc2cccc(Cl)c2[O-])cc1F ZINC001203324706 1133315056 /nfs/dbraw/zinc/31/50/56/1133315056.db2.gz OTHUFLBUCOJNSE-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc([O-])c(F)c1F ZINC001210007903 1134121265 /nfs/dbraw/zinc/12/12/65/1134121265.db2.gz LBUNMZUPZDINLB-UHFFFAOYSA-N -2 3 297.232 3.560 20 0 CHADHL Cc1c(F)cc(C(=O)[O-])cc1Nc1cccc(Cl)c1[O-] ZINC001210008266 1134121505 /nfs/dbraw/zinc/12/15/05/1134121505.db2.gz OKIKWXVQLDVEGE-UHFFFAOYSA-N -2 3 295.697 3.935 20 0 CHADHL O=c1ccn(-c2ccc(Nc3cccc([S-])c3)cc2)[n-]1 ZINC001210950054 1134337552 /nfs/dbraw/zinc/33/75/52/1134337552.db2.gz QHOWWEWHEZRWCN-UHFFFAOYSA-N -2 3 283.356 3.610 20 0 CHADHL CCCCC1CCC(OCCCCP(=O)([O-])[O-])CC1 ZINC001225019086 1127321708 /nfs/dbraw/zinc/32/17/08/1127321708.db2.gz QVEABDRSTAMHPN-UHFFFAOYSA-N -2 3 292.356 3.710 20 0 CHADHL Cc1cc(C(=O)[O-])ccc1Nc1cccc([O-])c1Cl ZINC001211624608 1119614900 /nfs/dbraw/zinc/61/49/00/1119614900.db2.gz NEILGRIQTYWPQK-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL Cc1cc(Nc2cccc(Cl)c2[O-])ccc1C(=O)[O-] ZINC001211657312 1120574286 /nfs/dbraw/zinc/57/42/86/1120574286.db2.gz LQOZGEKIHYDITP-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL [O-]c1cc(F)c(Nc2ccc([S-])cc2)c(F)c1 ZINC001175097042 1121184001 /nfs/dbraw/zinc/18/40/01/1121184001.db2.gz MAOOCHZDKASXPR-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL O=C([O-])c1cc(Nc2cccc(Cl)c2[O-])ccc1F ZINC001175218804 1121227955 /nfs/dbraw/zinc/22/79/55/1121227955.db2.gz LZEKZJQRSXGIIE-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL O=C([O-])/C=C/c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001176595669 1121650129 /nfs/dbraw/zinc/65/01/29/1121650129.db2.gz SPXXONRCQPYKQV-RMKNXTFCSA-N -2 3 289.718 3.887 20 0 CHADHL [O-]c1c(F)cc(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176671783 1121672709 /nfs/dbraw/zinc/67/27/09/1121672709.db2.gz OUUCXKYTAARTSK-UHFFFAOYSA-N -2 3 291.175 3.537 20 0 CHADHL Cc1ccc(Nc2cccc(CC(=O)[O-])c2)c(Cl)c1[O-] ZINC001210073332 1134141720 /nfs/dbraw/zinc/14/17/20/1134141720.db2.gz MKHXLSNUVSKIDW-UHFFFAOYSA-N -2 3 291.734 3.725 20 0 CHADHL O=C([O-])c1cc(Nc2ccc([O-])c(Cl)c2)cc(F)c1F ZINC001215468129 1134630847 /nfs/dbraw/zinc/63/08/47/1134630847.db2.gz YWMGQLKFDVYWHY-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL CCCCC[C@H](OCCP(=O)([O-])[O-])[C@H](C)CCC ZINC001224602546 1135461442 /nfs/dbraw/zinc/46/14/42/1135461442.db2.gz RUPAZMUMKIGLDP-OLZOCXBDSA-N -2 3 280.345 3.566 20 0 CHADHL CCCCC(CCCC)OCCCCP(=O)([O-])[O-] ZINC001225019030 1135502860 /nfs/dbraw/zinc/50/28/60/1135502860.db2.gz PFVLQVNNZAAURP-UHFFFAOYSA-N -2 3 280.345 3.710 20 0 CHADHL CCCCCC[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019619 1135502503 /nfs/dbraw/zinc/50/25/03/1135502503.db2.gz YZRRFCGWXJDSCJ-ZDUSSCGKSA-N -2 3 280.345 3.710 20 0 CHADHL Cc1cc(C(=O)[O-])ccc1Nc1ccc([O-])c(Cl)c1 ZINC001211624941 1119616583 /nfs/dbraw/zinc/61/65/83/1119616583.db2.gz YABFPIMULQPOHF-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL O=C([O-])c1ccc(Nc2cccc(Cl)c2[O-])cc1F ZINC001175157520 1121188467 /nfs/dbraw/zinc/18/84/67/1121188467.db2.gz GGCYIBRPPDAVCX-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL O=C([O-])/C=C/c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001235692730 1130770498 /nfs/dbraw/zinc/77/04/98/1130770498.db2.gz UMUGJQWBFDNYMT-FPYGCLRLSA-N -2 3 295.363 3.747 20 0 CHADHL O=C([O-])/C=C/c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001174496841 1132862896 /nfs/dbraw/zinc/86/28/96/1132862896.db2.gz WUTLXXATFSLRLS-QPJJXVBHSA-N -2 3 289.718 3.887 20 0 CHADHL O=C([O-])c1c(F)cc(Nc2cccc([O-])c2Cl)cc1F ZINC001203327512 1133314687 /nfs/dbraw/zinc/31/46/87/1133314687.db2.gz HFWKEYWSIVVGQB-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL [O-]c1cc(Nc2cc(F)c([O-])c(Cl)c2)cc(F)c1F ZINC001214489671 1134545329 /nfs/dbraw/zinc/54/53/29/1134545329.db2.gz GLDAXCRLKLPMGM-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL O=c1cc(Nc2cccc([S-])c2)[n-]n1-c1ccccc1 ZINC001210945430 1118427575 /nfs/dbraw/zinc/42/75/75/1118427575.db2.gz RHJPNNGGCAPUDD-UHFFFAOYSA-N -2 3 283.356 3.610 20 0 CHADHL Cc1c(Nc2ccc([O-])c(Cl)c2)cccc1C(=O)[O-] ZINC001216661424 1119263615 /nfs/dbraw/zinc/26/36/15/1119263615.db2.gz HWQSJRKMVSDYSN-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL [O-]c1cc(F)c(Nc2c(F)cc(F)c([O-])c2F)cc1F ZINC001176670832 1121671275 /nfs/dbraw/zinc/67/12/75/1121671275.db2.gz MUINTVFADPWYHN-UHFFFAOYSA-N -2 3 291.175 3.537 20 0 CHADHL [O-]c1cccc(Nc2ccnc(Cl)c2[O-])c1Cl ZINC001210853987 1134312442 /nfs/dbraw/zinc/31/24/42/1134312442.db2.gz TYTAYUQEMWDQMT-UHFFFAOYSA-N -2 3 271.103 3.543 20 0 CHADHL [O-]c1cc(F)c(Nc2cccc([S-])c2)c(F)c1 ZINC001210948028 1134336460 /nfs/dbraw/zinc/33/64/60/1134336460.db2.gz AGNCWRWXHSZECE-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL O=C([O-])c1c(F)ccc(Nc2ccc([O-])c(Cl)c2)c1F ZINC001215278729 1134613875 /nfs/dbraw/zinc/61/38/75/1134613875.db2.gz GZUAWHVPIOONBH-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc([O-])c1 ZINC000006092457 170175624 /nfs/dbraw/zinc/17/56/24/170175624.db2.gz ZYIZNUYMGIICGZ-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL O=C(Nc1ccc(Cl)cc1[O-])c1cc([O-])ccc1Cl ZINC000336594673 534829360 /nfs/dbraw/zinc/82/93/60/534829360.db2.gz UDPQGOLYIDIWOF-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL O=C([O-])c1cc(Cl)cc(Nc2cc([O-])c(F)cc2F)c1 ZINC001211965174 1125532933 /nfs/dbraw/zinc/53/29/33/1125532933.db2.gz RVNJFIKODRCUGR-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL CCCCC[C@H](CCC)OCCCCP(=O)([O-])[O-] ZINC001225018822 1127321785 /nfs/dbraw/zinc/32/17/85/1127321785.db2.gz ILHLUUQDFOSXMD-ZDUSSCGKSA-N -2 3 280.345 3.710 20 0 CHADHL Cc1c(Nc2cccc([O-])c2Cl)cccc1C(=O)[O-] ZINC001216662094 1134942889 /nfs/dbraw/zinc/94/28/89/1134942889.db2.gz YKUFLZPYZGUNAT-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL O=C([O-])Cc1ccc(F)c(Nc2cccc([O-])c2Cl)c1 ZINC001216681396 1134944156 /nfs/dbraw/zinc/94/41/56/1134944156.db2.gz FSESHGSFLGFNTQ-UHFFFAOYSA-N -2 3 295.697 3.555 20 0 CHADHL Cc1cc(=O)[n-]c(C=Cc2cc(Cl)c([O-])cc2Cl)n1 ZINC000436934169 330688942 /nfs/dbraw/zinc/68/89/42/330688942.db2.gz RXHVVAGIJREJNJ-NSCUHMNNSA-N -2 3 297.141 3.673 20 0 CHADHL Cc1cc(=O)[n-]c(C=Cc2cc(Cl)c([O-])cc2Cl)n1 ZINC000436934166 330689007 /nfs/dbraw/zinc/68/90/07/330689007.db2.gz RXHVVAGIJREJNJ-IHWYPQMZSA-N -2 3 297.141 3.673 20 0 CHADHL [O-]c1cc(Nc2c(F)cc(F)c([O-])c2F)cc(F)c1F ZINC001176672072 1121673728 /nfs/dbraw/zinc/67/37/28/1121673728.db2.gz CZDOFVSZTDOLJQ-UHFFFAOYSA-N -2 3 291.175 3.537 20 0 CHADHL O=C([O-])/C=C/c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001174496511 1132862839 /nfs/dbraw/zinc/86/28/39/1132862839.db2.gz OKIQJNBHXUNKST-BQYQJAHWSA-N -2 3 289.718 3.887 20 0 CHADHL O=C([O-])c1c(F)cc(Nc2ccc([O-])c(Cl)c2)cc1F ZINC001203327926 1133314563 /nfs/dbraw/zinc/31/45/63/1133314563.db2.gz LSRHYOCWOSNCAY-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL [O-]c1c(F)cc(Nc2ccccc2[S-])cc1F ZINC001213379379 1134445511 /nfs/dbraw/zinc/44/55/11/1134445511.db2.gz UBOBWIWPTRLRGB-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL COc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1[S-] ZINC001213388988 1134446124 /nfs/dbraw/zinc/44/61/24/1134446124.db2.gz WRWGMGNWLUHNLF-UHFFFAOYSA-N -2 3 283.299 3.711 20 0 CHADHL O=C([O-])Cc1ccc(F)c(Nc2ccc([O-])c(Cl)c2)c1 ZINC001216680785 1134943850 /nfs/dbraw/zinc/94/38/50/1134943850.db2.gz DHCOIQLJZHVRFV-UHFFFAOYSA-N -2 3 295.697 3.555 20 0 CHADHL CCCCCC[C@H](CCCC)OCCP(=O)([O-])[O-] ZINC001224601088 1135461776 /nfs/dbraw/zinc/46/17/76/1135461776.db2.gz DLEIZSYPPRXMCE-ZDUSSCGKSA-N -2 3 280.345 3.710 20 0 CHADHL CCCCC[C@@H](OCCCCP(=O)([O-])[O-])C(C)C ZINC001225018593 1135503273 /nfs/dbraw/zinc/50/32/73/1135503273.db2.gz BPONWTYFIQIXKZ-CYBMUJFWSA-N -2 3 280.345 3.566 20 0 CHADHL O=C([O-])c1cc(Cl)cc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001211965185 1125532235 /nfs/dbraw/zinc/53/22/35/1125532235.db2.gz SOFOFVHJFYQPLM-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL [O-]c1cc(F)cc(F)c1Nc1c(F)cc(F)c([O-])c1F ZINC001176672035 1121673414 /nfs/dbraw/zinc/67/34/14/1121673414.db2.gz ROYIYJPSMJYJCB-UHFFFAOYSA-N -2 3 291.175 3.537 20 0 CHADHL [O-]c1c(F)cc(F)c(Nc2cccc(Cl)c2[O-])c1F ZINC001176671355 1121673512 /nfs/dbraw/zinc/67/35/12/1121673512.db2.gz AOYFRVZJMNJQKW-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc([O-])c(Cl)c1 ZINC000153506726 1129040759 /nfs/dbraw/zinc/04/07/59/1129040759.db2.gz XPFFVEMDOCUVTG-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL Cc1cccc2nc(-c3ccc([O-])c(Cl)c3)[n-]c(=O)c12 ZINC000436871456 1122589762 /nfs/dbraw/zinc/58/97/62/1122589762.db2.gz SZTYDGCFMFVRJI-UHFFFAOYSA-N -2 3 286.718 3.670 20 0 CHADHL [O-]c1c(F)cc(Nc2cccc([S-])c2)cc1F ZINC001210951073 1134338052 /nfs/dbraw/zinc/33/80/52/1134338052.db2.gz WDNXYDQOYCYHOU-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL O=C([O-])c1cc(Nc2cccc([O-])c2Cl)cc(F)c1F ZINC001215467929 1134630044 /nfs/dbraw/zinc/63/00/44/1134630044.db2.gz PWESHYGJFHLHKT-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL CCCCCC(CCCCC)OCCP(=O)([O-])[O-] ZINC001224602315 1135461515 /nfs/dbraw/zinc/46/15/15/1135461515.db2.gz QDRSJVPTHBZRMH-UHFFFAOYSA-N -2 3 280.345 3.710 20 0 CHADHL O=C(Nc1ccccc1[O-])c1c([O-])cc(Cl)cc1Cl ZINC000081932571 334213543 /nfs/dbraw/zinc/21/35/43/334213543.db2.gz WQLMGBYBBFNLAE-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL CCC[C@@H](OCCCCP(=O)([O-])[O-])C1CCCCC1 ZINC001225018754 1127320988 /nfs/dbraw/zinc/32/09/88/1127320988.db2.gz HFIMXYIKIVJIHV-CQSZACIVSA-N -2 3 292.356 3.710 20 0 CHADHL CCCC[C@@H](CC)[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019283 1127322519 /nfs/dbraw/zinc/32/25/19/1127322519.db2.gz VKKMEMLWTGEEAQ-ZIAGYGMSSA-N -2 3 294.372 3.956 20 0 CHADHL Cc1ccc(Nc2cccc(C(=O)[O-])c2F)c(Cl)c1[O-] ZINC001210241434 1118220479 /nfs/dbraw/zinc/22/04/79/1118220479.db2.gz CPPJITBDIXKBBY-UHFFFAOYSA-N -2 3 295.697 3.935 20 0 CHADHL Cc1cc(Nc2ccc([O-])c(Cl)c2)cc(C(=O)[O-])c1 ZINC001211544732 1119077584 /nfs/dbraw/zinc/07/75/84/1119077584.db2.gz JOHFXTJRYGYQNM-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL [O-]c1c(F)cc(F)c(Nc2ccc(F)c(F)c2[O-])c1F ZINC001176671024 1121671952 /nfs/dbraw/zinc/67/19/52/1121671952.db2.gz RDEOUNFJWSCTBO-UHFFFAOYSA-N -2 3 291.175 3.537 20 0 CHADHL [O-]c1cccc(Nc2c(F)cc(F)c([O-])c2F)c1Cl ZINC001176673393 1121672883 /nfs/dbraw/zinc/67/28/83/1121672883.db2.gz UXSSJTNXPVHHLY-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL O=C([O-])c1ccc(Nc2ccc([O-])c(Cl)c2)c(F)c1 ZINC001203292863 1122642804 /nfs/dbraw/zinc/64/28/04/1122642804.db2.gz XWLPAETZKANHKD-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL C[C@@H](Oc1c(Cl)ccc([O-])c1F)C1=CC=C[CH]1 ZINC001234266087 1130626276 /nfs/dbraw/zinc/62/62/76/1130626276.db2.gz YFYNHHLTAYTWDX-MRVPVSSYSA-N -2 3 253.680 3.652 20 0 CHADHL [S-]c1cc([S-])cc(N[C@@H]2CNCc3ccsc32)c1 ZINC001163230234 1133138979 /nfs/dbraw/zinc/13/89/79/1133138979.db2.gz NOEVHRGWSUWCTR-GFCCVEGCSA-N -2 3 294.470 3.582 20 0 CHADHL Cc1c(F)cc(C(=O)[O-])cc1Nc1cc([O-])c(F)cc1F ZINC001210007333 1134121424 /nfs/dbraw/zinc/12/14/24/1134121424.db2.gz CMATVAGCYUAHKG-UHFFFAOYSA-N -2 3 297.232 3.560 20 0 CHADHL Cc1c(F)cc(C(=O)[O-])cc1Nc1cc(F)c([O-])c(F)c1 ZINC001210008890 1134121628 /nfs/dbraw/zinc/12/16/28/1134121628.db2.gz WUGBGOGOURADKF-UHFFFAOYSA-N -2 3 297.232 3.560 20 0 CHADHL [O-]c1cc(F)cc(F)c1Nc1cc(F)c([O-])c(Cl)c1 ZINC001214488896 1134544024 /nfs/dbraw/zinc/54/40/24/1134544024.db2.gz PEJNTFZBVHMXHA-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL CCCCC[C@@H](CCC)OCCCCP(=O)([O-])[O-] ZINC001225018821 1135502819 /nfs/dbraw/zinc/50/28/19/1135502819.db2.gz ILHLUUQDFOSXMD-CYBMUJFWSA-N -2 3 280.345 3.710 20 0 CHADHL Cc1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c([O-])c1 ZINC000186297740 262088150 /nfs/dbraw/zinc/08/81/50/262088150.db2.gz ITVVPOHSTSIBSN-LBPRGKRZSA-N -2 3 297.354 3.560 20 0 CHADHL Cc1ccc(Nc2cccc([O-])c2Cl)cc1C(=O)[O-] ZINC001211604296 1119442096 /nfs/dbraw/zinc/44/20/96/1119442096.db2.gz ZINGSYUPBHRMOE-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL Cc1ccc(Nc2ccc(F)c(C(=O)[O-])c2)c(Cl)c1[O-] ZINC001175223350 1121230294 /nfs/dbraw/zinc/23/02/94/1121230294.db2.gz OTRQAQKSABWMQB-UHFFFAOYSA-N -2 3 295.697 3.935 20 0 CHADHL O=C(Nc1ccc(Cl)cc1[O-])c1cccc(Cl)c1[O-] ZINC000775790710 1122973168 /nfs/dbraw/zinc/97/31/68/1122973168.db2.gz BMDQOVKUPKTJOK-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL Cc1c(F)cc(C(=O)[O-])cc1Nc1cccc([O-])c1Cl ZINC001210006590 1134120521 /nfs/dbraw/zinc/12/05/21/1134120521.db2.gz AOMHRBMTPQSAOW-UHFFFAOYSA-N -2 3 295.697 3.935 20 0 CHADHL [O-]c1c(F)cc(Nc2ccc(F)c(F)c2[O-])cc1Cl ZINC001214491652 1134544887 /nfs/dbraw/zinc/54/48/87/1134544887.db2.gz HVHZDYUVCUPJNJ-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL O=C([O-])c1c(F)ccc(Nc2cccc([O-])c2Cl)c1F ZINC001215278973 1134613974 /nfs/dbraw/zinc/61/39/74/1134613974.db2.gz SYVNSTVQLGEYPI-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL CC(C)(C)[C@H]1CC[C@@H](OCCCCP(=O)([O-])[O-])CC1 ZINC001225019628 1135503055 /nfs/dbraw/zinc/50/30/55/1135503055.db2.gz ZBZZVFFAJLSYGJ-BETUJISGSA-N -2 3 292.356 3.566 20 0 CHADHL [O-]c1c(F)cc(Nc2ccnc(Cl)c2[O-])cc1Cl ZINC001214484460 1134543687 /nfs/dbraw/zinc/54/36/87/1134543687.db2.gz LBBGJAFUANFUBE-UHFFFAOYSA-N -2 3 289.093 3.682 20 0 CHADHL COc1cc(Nc2ccc([O-])c(F)c2F)ccc1[S-] ZINC001212016144 1125652712 /nfs/dbraw/zinc/65/27/12/1125652712.db2.gz ABONFLRKVSBMRH-UHFFFAOYSA-N -2 3 283.299 3.711 20 0 CHADHL O=C([O-])c1ccc(Nc2cccc(Cl)c2[O-])c(F)c1F ZINC001212513225 1120703798 /nfs/dbraw/zinc/70/37/98/1120703798.db2.gz GMAKKNTZSWCHGK-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL Cc1ccc(Nc2ccc(CC(=O)[O-])cc2)c(Cl)c1[O-] ZINC001174953285 1121109327 /nfs/dbraw/zinc/10/93/27/1121109327.db2.gz OBVKYZNAEUZATK-UHFFFAOYSA-N -2 3 291.734 3.725 20 0 CHADHL O=C([O-])c1ccc(Nc2cccc([O-])c2Cl)c(F)c1 ZINC001203292265 1122639613 /nfs/dbraw/zinc/63/96/13/1122639613.db2.gz IQBPXNOJVCAAIT-UHFFFAOYSA-N -2 3 281.670 3.627 20 0 CHADHL [O-]c1ccc(-c2cc([S-])cc([S-])c2)cc1F ZINC001240787652 1130472065 /nfs/dbraw/zinc/47/20/65/1130472065.db2.gz MWEMVATVGXFOEU-UHFFFAOYSA-N -3 3 252.335 3.776 20 0 CHADHL O=C([O-])c1c(F)ccc(Nc2cccc(Cl)c2[O-])c1F ZINC001215276734 1134613471 /nfs/dbraw/zinc/61/34/71/1134613471.db2.gz XXKCQAZAYKLLPD-UHFFFAOYSA-N -2 3 299.660 3.766 20 0 CHADHL CCCC[C@@H](CC)C[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019033 1135503108 /nfs/dbraw/zinc/50/31/08/1135503108.db2.gz PGWWGNICPYUTNX-UONOGXRCSA-N -2 3 294.372 3.956 20 0 CHADHL [O-]c1cc(Nc2ccnc(Cl)c2[O-])ccc1Cl ZINC001212590226 1129727225 /nfs/dbraw/zinc/72/72/25/1129727225.db2.gz AVWVLZPESCYHLP-UHFFFAOYSA-N -2 3 271.103 3.543 20 0 CHADHL Cc1ccc(C(=O)[O-])cc1Nc1cccc([O-])c1Cl ZINC001174982475 1121141374 /nfs/dbraw/zinc/14/13/74/1121141374.db2.gz PJJBHHVLVKZONO-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL FC(F)(F)c1cc(-c2cccc([S-])c2)nc(=S)[n-]1 ZINC001242866418 1130109447 /nfs/dbraw/zinc/10/94/47/1130109447.db2.gz YFZMZOVKOIXQHS-UHFFFAOYSA-N -2 3 288.319 3.740 20 0 CHADHL [O-]c1c(Cl)ccc(Nc2ccc(F)c(F)c2[O-])c1F ZINC001214807128 1134576237 /nfs/dbraw/zinc/57/62/37/1134576237.db2.gz UEDIKUQRCMIVDX-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL Cc1ccc(NC(=O)c2cc3ccccc3cc2[O-])c([O-])c1 ZINC000302894731 332888180 /nfs/dbraw/zinc/88/81/80/332888180.db2.gz GTIDFIDEWUJPHU-UHFFFAOYSA-N -2 3 293.322 3.812 20 0 CHADHL CCc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000522311422 333281961 /nfs/dbraw/zinc/28/19/61/333281961.db2.gz ILAMTJBTISYQFS-UHFFFAOYSA-N -2 3 291.734 3.566 20 0 CHADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc([O-])c(Cl)c1 ZINC000078346585 334131632 /nfs/dbraw/zinc/13/16/32/334131632.db2.gz GFUUMXQRFNWWMJ-UHFFFAOYSA-N -2 3 298.125 3.657 20 0 CHADHL O=c1[n-]c(-c2cc([O-])cc(Cl)c2)nc2ccc(F)cc12 ZINC000554399411 334428308 /nfs/dbraw/zinc/42/83/08/334428308.db2.gz VVQFZKRYYYPQEH-UHFFFAOYSA-N -2 3 290.681 3.501 20 0 CHADHL [O-]c1cc(F)c(Nc2ccccc2[S-])c(F)c1 ZINC001175099684 1121165208 /nfs/dbraw/zinc/16/52/08/1121165208.db2.gz DYKVWRSHJVBFPY-UHFFFAOYSA-N -2 3 253.273 3.703 20 0 CHADHL [O-]c1cc(Nc2ccc(Cl)c([O-])c2F)c(F)cc1F ZINC001214801460 1134574819 /nfs/dbraw/zinc/57/48/19/1134574819.db2.gz LEGZQVHACWGPFE-UHFFFAOYSA-N -2 3 289.640 3.912 20 0 CHADHL Cc1ccc(Nc2cccc(Cl)c2[O-])cc1C(=O)[O-] ZINC001211601938 1119431385 /nfs/dbraw/zinc/43/13/85/1119431385.db2.gz SVXPSMRJJLKFBW-UHFFFAOYSA-N -2 3 277.707 3.796 20 0 CHADHL COc1cc(Nc2c(F)ccc([O-])c2F)ccc1[S-] ZINC001175269097 1121268657 /nfs/dbraw/zinc/26/86/57/1121268657.db2.gz BJXCAVHPKAHAQR-UHFFFAOYSA-N -2 3 283.299 3.711 20 0 CHADHL O=C([O-])c1cc(Nc2cccc([O-])c2Cl)cs1 ZINC001176439166 1121622585 /nfs/dbraw/zinc/62/25/85/1121622585.db2.gz NRMWLVOHEOEOHU-UHFFFAOYSA-N -2 3 269.709 3.549 20 0 CHADHL [O-]c1ccc(Nc2c(F)cc(F)c([O-])c2F)c(F)c1F ZINC001176670526 1121671259 /nfs/dbraw/zinc/67/12/59/1121671259.db2.gz XNULXVVPTQAKJE-UHFFFAOYSA-N -2 3 291.175 3.537 20 0 CHADHL [O-]c1cc(F)c(Nc2c(F)cc(F)c([O-])c2F)c(F)c1 ZINC001176674734 1121673141 /nfs/dbraw/zinc/67/31/41/1121673141.db2.gz UROORIGJCXMVHM-UHFFFAOYSA-N -2 3 291.175 3.537 20 0 CHADHL O=C([O-])/C=C/c1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001240550574 1130353566 /nfs/dbraw/zinc/35/35/66/1130353566.db2.gz JTYICAPYHIXAPS-QPJJXVBHSA-N -2 3 295.363 3.747 20 0 CHADHL Cc1ccc(C(=O)[O-])cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001241005875 1130562274 /nfs/dbraw/zinc/56/22/74/1130562274.db2.gz YTISDZLVXZVDJV-UHFFFAOYSA-N -2 3 283.352 3.656 20 0 CHADHL C[C@H](Oc1c(Cl)ccc([O-])c1F)C1=CC=C[CH]1 ZINC001234266091 1130626504 /nfs/dbraw/zinc/62/65/04/1130626504.db2.gz YFYNHHLTAYTWDX-QMMMGPOBSA-N -2 3 253.680 3.652 20 0 CHADHL Cc1csc2[n-]c(=S)nc(O[C@H](C)C3=CC=C[CH]3)c12 ZINC001229351389 1132057160 /nfs/dbraw/zinc/05/71/60/1132057160.db2.gz ANQHRUBADYCKNW-SECBINFHSA-N -2 3 289.405 3.756 20 0 CHADHL