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-])c1cccc(/C=C/C(=O)c2ccc([O-])cc2)c1Cl ZINC000188714318 1028526019 /nfs/dbraw/zinc/52/60/19/1028526019.db2.gz ZKWZJFMUHRVVMY-RMKNXTFCSA-N -2 1 302.713 3.640 20 0 DHADML O=C([O-])c1cccc(/C=C2\Cc3cc([O-])ccc3C2=O)c1Cl ZINC000188812735 1028530859 /nfs/dbraw/zinc/53/08/59/1028530859.db2.gz XUONGDSANKKLKZ-IZZDOVSWSA-N -2 1 314.724 3.566 20 0 DHADML CCC1CCC(N(C)C(=O)c2ccc(NC(=O)[O-])cc2[O-])CC1 ZINC000833843245 605629640 /nfs/dbraw/zinc/62/96/40/605629640.db2.gz ABODKLIOXJLALG-UHFFFAOYSA-N -2 1 320.389 3.523 20 0 DHADML CC(C)c1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c([O-])c1 ZINC001591947733 976493792 /nfs/dbraw/zinc/49/37/92/976493792.db2.gz TUEFQGRCHWUQSS-UHFFFAOYSA-N -2 1 317.316 3.605 20 0 DHADML O=C(Nc1ccccc1[S-])c1ccc(C(F)(F)F)cc1[O-] ZINC001148800520 1032445991 /nfs/dbraw/zinc/44/59/91/1032445991.db2.gz FOUROWRCROQXIY-UHFFFAOYSA-N -2 1 313.300 3.952 20 0 DHADML Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccccc1[S-] ZINC001195308442 1036215959 /nfs/dbraw/zinc/21/59/59/1036215959.db2.gz NETPMKYQKHBNBY-UHFFFAOYSA-N -2 1 313.831 3.738 20 0 DHADML O=C([O-])C/C(=C\c1ccc([O-])c(F)c1)c1nc2ccccc2o1 ZINC000436529933 338275406 /nfs/dbraw/zinc/27/54/06/338275406.db2.gz PMMJSGRUQZKEHB-YRNVUSSQSA-N -2 1 313.284 3.688 20 0 DHADML [O-]c1ccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)cc1F ZINC000236583393 340662661 /nfs/dbraw/zinc/66/26/61/340662661.db2.gz HBEBVBUMKVCSRS-UHFFFAOYSA-N -2 1 306.680 3.607 20 0 DHADML CC(C)c1ccc(NC(=O)c2ccc([O-])c(F)c2)c(C(=O)[O-])c1 ZINC001591968026 976565245 /nfs/dbraw/zinc/56/52/45/976565245.db2.gz HYFZLBJHXDAALI-UHFFFAOYSA-N -2 1 317.316 3.605 20 0 DHADML O=C([O-])c1ccc(Nc2cc([O-])c(Cl)cc2F)c(F)c1F ZINC001212513259 1020585871 /nfs/dbraw/zinc/58/58/71/1020585871.db2.gz IEOUMDDBFXLQGG-UHFFFAOYSA-N -2 1 317.650 3.905 20 0 DHADML O=C([O-])C1(c2ccc(Nc3cc(F)c([O-])cc3F)cc2)CC1 ZINC001176588225 1035290646 /nfs/dbraw/zinc/29/06/46/1035290646.db2.gz HXELCOLBFSJXPO-UHFFFAOYSA-N -2 1 305.280 3.530 20 0 DHADML O=C(Nc1ccc2[n-]c(=S)sc2c1)c1ccc([O-])c(F)c1 ZINC001186226019 1037338214 /nfs/dbraw/zinc/33/82/14/1037338214.db2.gz JYIKZSVYCWWIHA-UHFFFAOYSA-N -2 1 320.370 3.682 20 0 DHADML O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cccc([O-])c1F ZINC001151055004 1035968465 /nfs/dbraw/zinc/96/84/65/1035968465.db2.gz KRHHVAQWJQBGES-UHFFFAOYSA-N -2 1 316.115 3.796 20 0 DHADML O=C([O-])c1cc(/C=C/c2ccc([O-])c(F)c2)nc2ccccc21 ZINC000436545295 338276359 /nfs/dbraw/zinc/27/63/59/338276359.db2.gz NFXAFHPAFPFBQB-FNORWQNLSA-N -2 1 309.296 3.948 20 0 DHADML C[C@H](Cc1ccc(NCc2ccc([O-])c(F)c2F)cc1)C(=O)[O-] ZINC001592876828 979741913 /nfs/dbraw/zinc/74/19/13/979741913.db2.gz DDDYOBXSUUXXEH-SNVBAGLBSA-N -2 1 321.323 3.546 20 0 DHADML O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1cc(F)ccc1[O-] ZINC000144038793 1017906431 /nfs/dbraw/zinc/90/64/31/1017906431.db2.gz ZUKWZDXTKILFFB-UHFFFAOYSA-N -2 1 316.115 3.796 20 0 DHADML CC(=O)c1ccc(O)c(NC(=O)c2cc(O)c3ccccc3c2)c1 ZINC000436996799 1025255182 /nfs/dbraw/zinc/25/51/82/1025255182.db2.gz DAGWHPKKTZNNSX-UHFFFAOYSA-N -2 1 321.332 3.706 20 0 DHADML O=C([O-])C1(c2ccc(Nc3cc([O-])c(F)c(F)c3)cc2)CC1 ZINC001176588442 1035291229 /nfs/dbraw/zinc/29/12/29/1035291229.db2.gz LQLIEXOKWFOMBP-UHFFFAOYSA-N -2 1 305.280 3.530 20 0 DHADML O=C([O-])c1cccc2oc(/C=C/c3c(F)ccc([O-])c3F)nc21 ZINC000485983793 1036068820 /nfs/dbraw/zinc/06/88/20/1036068820.db2.gz WTDRTLDPPZHXLG-QPJJXVBHSA-N -2 1 317.247 3.680 20 0 DHADML CCCc1cc(=O)[n-]c(S[C@H](C)c2cc(C)c(C(=O)[O-])o2)n1 ZINC001596058635 983365856 /nfs/dbraw/zinc/36/58/56/983365856.db2.gz NURBRDUICALOMV-SECBINFHSA-N -2 1 322.386 3.588 20 0 DHADML O=S(=O)([N-]c1ccccc1[S-])c1csc2ccccc21 ZINC001186493257 1037419979 /nfs/dbraw/zinc/41/99/79/1037419979.db2.gz GVJWKQJFXZMYSK-UHFFFAOYSA-N -2 1 321.448 3.991 20 0 DHADML O=[P@]([O-])(O)CCOC(C1CCCCC1)C1CCCCC1 ZINC001224606631 1035163483 /nfs/dbraw/zinc/16/34/83/1035163483.db2.gz QYIVEVFUSJLYCD-UHFFFAOYSA-N -2 1 304.367 3.710 20 0 DHADML O=C([O-])Nc1ccc(C(=O)Nc2ccc(F)cc2[O-])c(Cl)c1 ZINC000832839360 605409991 /nfs/dbraw/zinc/40/99/91/605409991.db2.gz VRMSGRSLPCBOET-UHFFFAOYSA-N -2 1 324.695 3.527 20 0 DHADML Cc1c(=O)[n-]c(SCCCCC(=O)[O-])nc1-c1ccccc1 ZINC001599969362 985976683 /nfs/dbraw/zinc/97/66/83/985976683.db2.gz HWGVRQVCDQSWEC-UHFFFAOYSA-N -2 1 318.398 3.505 20 0 DHADML CCc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])c([O-])c1 ZINC001597502870 988069855 /nfs/dbraw/zinc/06/98/55/988069855.db2.gz KAJOQEOXKYZGAO-UHFFFAOYSA-N -2 1 319.382 3.583 20 0 DHADML CCCc1cc(=O)[n-]c(S[C@@H](C)c2cc(C)c(C(=O)[O-])o2)n1 ZINC001596058638 983365838 /nfs/dbraw/zinc/36/58/38/983365838.db2.gz NURBRDUICALOMV-VIFPVBQESA-N -2 1 322.386 3.588 20 0 DHADML O=C(Nc1cccc(C(F)(F)F)c1[O-])c1cccc([S-])c1 ZINC001186152147 1037325603 /nfs/dbraw/zinc/32/56/03/1037325603.db2.gz CXLSHMVSIDWWJN-UHFFFAOYSA-N -2 1 313.300 3.952 20 0 DHADML O=C([O-])c1cccc2oc(/C=C\c3cc(F)c([O-])c(F)c3)nc21 ZINC000439281243 338366008 /nfs/dbraw/zinc/36/60/08/338366008.db2.gz WMADULQUKWJRIU-PLNGDYQASA-N -2 1 317.247 3.680 20 0 DHADML Cc1cc(NC(=O)Nc2ccc([O-])c(Cl)c2)ccc1C(=O)[O-] ZINC001594323493 958142408 /nfs/dbraw/zinc/14/24/08/958142408.db2.gz NDZBKZIGUYLVTG-UHFFFAOYSA-N -2 1 320.732 3.696 20 0 DHADML CCOc1cc(/C=C/c2ccc(C(=O)[O-])cn2)cc(Cl)c1[O-] ZINC001597033010 986459262 /nfs/dbraw/zinc/45/92/62/986459262.db2.gz JNXPECPVBLZHKA-HWKANZROSA-N -2 1 319.744 3.708 20 0 DHADML CCOc1cc(/C=C/c2cc(C(=O)[O-])ccn2)cc(Cl)c1[O-] ZINC000436815290 338288239 /nfs/dbraw/zinc/28/82/39/338288239.db2.gz KXDASHAUFFMJGU-ONEGZZNKSA-N -2 1 319.744 3.708 20 0 DHADML C[C@@H](Cc1ccc(NCc2ccc([O-])c(F)c2F)cc1)C(=O)[O-] ZINC001592876827 979741654 /nfs/dbraw/zinc/74/16/54/979741654.db2.gz DDDYOBXSUUXXEH-JTQLQIEISA-N -2 1 321.323 3.546 20 0 DHADML O=C([O-])C1(c2ccc(Nc3ccc(F)c(F)c3[O-])cc2)CC1 ZINC001176590230 1035292031 /nfs/dbraw/zinc/29/20/31/1035292031.db2.gz KWALAJASXZNWLV-UHFFFAOYSA-N -2 1 305.280 3.530 20 0 DHADML Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc([S-])cc1 ZINC001195309091 1036216774 /nfs/dbraw/zinc/21/67/74/1036216774.db2.gz FVEOGHJBSKSBCT-UHFFFAOYSA-N -2 1 313.831 3.738 20 0 DHADML Cc1nc(S[C@H](C)c2ccc(C(=O)[O-])o2)[n-]c(=O)c1C1CC1 ZINC001599965332 985893442 /nfs/dbraw/zinc/89/34/42/985893442.db2.gz AJLZUGZVVBERNF-MRVPVSSYSA-N -2 1 320.370 3.513 20 0 DHADML CC(C)(C)c1nsc([N-]c2c(F)cc(F)c([O-])c2F)n1 ZINC001176663886 1035309053 /nfs/dbraw/zinc/30/90/53/1035309053.db2.gz NHOHQEXRRZFZBS-UHFFFAOYSA-N -2 1 303.309 3.702 20 0 DHADML O=S(=O)([N-]c1ccc([S-])cc1)c1csc2ccccc21 ZINC001186495124 1037420415 /nfs/dbraw/zinc/42/04/15/1037420415.db2.gz AVWYGSKXRHIXFF-UHFFFAOYSA-N -2 1 321.448 3.991 20 0 DHADML O=C([O-])Nc1ccc(C(=O)Nc2cccc(C(F)F)c2)c([O-])c1 ZINC000834255300 605646369 /nfs/dbraw/zinc/64/63/69/605646369.db2.gz HSVNXDMWOIBBBG-UHFFFAOYSA-N -2 1 322.267 3.672 20 0 DHADML COc1cc(Nc2cc([O-])c(Cl)cc2F)ccc1C(=O)[O-] ZINC001174685021 1034547422 /nfs/dbraw/zinc/54/74/22/1034547422.db2.gz LXROWCLFOJYUAB-UHFFFAOYSA-N -2 1 311.696 3.635 20 0 DHADML Cc1c(Cl)cc(Nc2cncc(C(=O)[O-])c2)c([O-])c1Cl ZINC001175843205 1035130840 /nfs/dbraw/zinc/13/08/40/1035130840.db2.gz ZTXMHZYCGGXFGZ-UHFFFAOYSA-N -2 1 313.140 3.844 20 0 DHADML O=C([O-])c1ccc2oc(/C=C\c3cc(F)c([O-])c(F)c3)nc2c1 ZINC000439282699 338366033 /nfs/dbraw/zinc/36/60/33/338366033.db2.gz ZXELSULVNXLIRR-RJRFIUFISA-N -2 1 317.247 3.680 20 0 DHADML O=C([O-])c1ccc(NC(=O)Nc2ccc([O-])c(Cl)c2)c(F)c1 ZINC001594806476 970266202 /nfs/dbraw/zinc/26/62/02/970266202.db2.gz CPBGMORWPQMMLJ-UHFFFAOYSA-N -2 1 324.695 3.527 20 0 DHADML O=C(Nc1ccc2[n-]c(=S)sc2c1)c1ccc([O-])cc1F ZINC001186328804 1037360486 /nfs/dbraw/zinc/36/04/86/1037360486.db2.gz KJLKTBUMWKAMMJ-UHFFFAOYSA-N -2 1 320.370 3.682 20 0 DHADML O=C(Nc1ccc(F)cc1[O-])c1cccc(C(F)(F)F)c1[O-] ZINC000622467525 1016425508 /nfs/dbraw/zinc/42/55/08/1016425508.db2.gz WZZRWHJAZNNIFU-UHFFFAOYSA-N -2 1 315.222 3.508 20 0 DHADML O=C(Nc1cccc(F)c1[O-])c1cccc(C(F)(F)F)c1[O-] ZINC001171638239 1032834903 /nfs/dbraw/zinc/83/49/03/1032834903.db2.gz SQHUSDSZOARCFL-UHFFFAOYSA-N -2 1 315.222 3.508 20 0 DHADML O=C([O-])c1c(F)cc(Nc2cc([O-])c(Cl)cc2F)cc1F ZINC001203325104 1037850459 /nfs/dbraw/zinc/85/04/59/1037850459.db2.gz XOHHIEDRRTVNSK-UHFFFAOYSA-N -2 1 317.650 3.905 20 0 DHADML CC(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000436864365 338290452 /nfs/dbraw/zinc/29/04/52/338290452.db2.gz YPIRTGFTMFUQGY-UHFFFAOYSA-N -2 1 321.332 3.706 20 0 DHADML CCC[C@@]1(C)CCCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000826769729 604029610 /nfs/dbraw/zinc/02/96/10/604029610.db2.gz VPSZWOSNGMBXBV-KRWDZBQOSA-N -2 1 320.389 3.525 20 0 DHADML CCCCCN(C(=O)c1ccc(NC(=O)[O-])cc1[O-])C(C)C ZINC000833853149 605641191 /nfs/dbraw/zinc/64/11/91/605641191.db2.gz NVUJVXVYTITFGR-UHFFFAOYSA-N -2 1 308.378 3.523 20 0 DHADML O=C([O-])c1c(Cl)ccc(Nc2cc([O-])c(F)c(F)c2)c1F ZINC001215697849 1014703124 /nfs/dbraw/zinc/70/31/24/1014703124.db2.gz JSXDQJJDTNDVIR-UHFFFAOYSA-N -2 1 317.650 3.905 20 0 DHADML O=C([O-])C1(c2ccc(Nc3c([O-])cc(F)cc3F)cc2)CC1 ZINC001176586251 1035289773 /nfs/dbraw/zinc/28/97/73/1035289773.db2.gz DNUWTJRVXXGWDV-UHFFFAOYSA-N -2 1 305.280 3.530 20 0 DHADML O=C([O-])c1ccc2nc(/C=C/c3c(F)ccc([O-])c3F)oc2c1 ZINC000486101858 1036118357 /nfs/dbraw/zinc/11/83/57/1036118357.db2.gz KCIBTZIOOSNUCA-QHHAFSJGSA-N -2 1 317.247 3.680 20 0 DHADML COc1cc(C(=O)Nc2ccccc2[S-])cc(Cl)c1[O-] ZINC001191146385 1038458822 /nfs/dbraw/zinc/45/88/22/1038458822.db2.gz FUZOOQJGYPXRML-UHFFFAOYSA-N -2 1 309.774 3.595 20 0 DHADML Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3[O-])[nH]n2)o1 ZINC000436803562 338287974 /nfs/dbraw/zinc/28/79/74/338287974.db2.gz QHUNQZOXMBDQGW-UHFFFAOYSA-N -2 1 317.732 3.589 20 0 DHADML CCC(CC)(CCSc1nc(C)c(C2CC2)c(=O)[n-]1)C(=O)[O-] ZINC001595062974 979320800 /nfs/dbraw/zinc/32/08/00/979320800.db2.gz JBCIOPWWXHJOAS-UHFFFAOYSA-N -2 1 324.446 3.741 20 0 DHADML CC(C)(C(=O)[O-])c1ccc(NCc2ccc([O-])c(F)c2F)cc1 ZINC001589641083 987562971 /nfs/dbraw/zinc/56/29/71/987562971.db2.gz JUQLFPRLNCAIFG-UHFFFAOYSA-N -2 1 321.323 3.645 20 0 DHADML COCc1cc(NCc2cccc([O-])c2Cl)cc(C(=O)[O-])c1 ZINC001599289895 997047554 /nfs/dbraw/zinc/04/75/54/997047554.db2.gz PXUZQTNZQBQKNC-UHFFFAOYSA-N -2 1 321.760 3.502 20 0 DHADML O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc([O-])c(F)c1 ZINC000768370096 1022953998 /nfs/dbraw/zinc/95/39/98/1022953998.db2.gz SSARHVJWXYIHEE-UHFFFAOYSA-N -2 1 316.115 3.796 20 0 DHADML [O-]c1ccc(-c2noc(-c3cccc(Cl)c3[O-])n2)cc1F ZINC000771224647 1023414414 /nfs/dbraw/zinc/41/44/14/1023414414.db2.gz PIPMNLOENDUXSI-UHFFFAOYSA-N -2 1 306.680 3.607 20 0 DHADML O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000194939319 1023200496 /nfs/dbraw/zinc/20/04/96/1023200496.db2.gz NABBLRMUEGMLPU-UHFFFAOYSA-N -2 1 316.115 3.796 20 0 DHADML [O-]c1ccc(-c2noc(-c3cccc(Cl)c3[O-])n2)c(F)c1 ZINC000771211903 1023411057 /nfs/dbraw/zinc/41/10/57/1023411057.db2.gz PNBQEVXSSPUKDO-UHFFFAOYSA-N -2 1 306.680 3.607 20 0 DHADML O=C(Nc1ccc([O-])c(Cl)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000129601212 1024028009 /nfs/dbraw/zinc/02/80/09/1024028009.db2.gz WFFGLWOFROKOSQ-UHFFFAOYSA-N -2 1 320.757 3.728 20 0 DHADML O=S(=O)([O-])c1cc([O-])c(N=C2CCCCC2)c2ccccc21 ZINC001175753600 1035109029 /nfs/dbraw/zinc/10/90/29/1035109029.db2.gz RZTXMODUSADGHC-UHFFFAOYSA-N -2 1 319.382 3.662 20 0 DHADML O=C(Nc1ccccc1[S-])c1ccc([O-])c(C(F)(F)F)c1 ZINC001188587818 1037937099 /nfs/dbraw/zinc/93/70/99/1037937099.db2.gz WHPXXJVIQOFQPF-UHFFFAOYSA-N -2 1 313.300 3.952 20 0 DHADML Cc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1NC(=O)[O-] ZINC000830230418 604032876 /nfs/dbraw/zinc/03/28/76/604032876.db2.gz IUKRSYSHQVJPPF-UHFFFAOYSA-N -2 1 320.732 3.696 20 0 DHADML [O-]c1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)c(F)c1 ZINC000445455339 338017314 /nfs/dbraw/zinc/01/73/14/338017314.db2.gz OUUWWMQHXDVXPB-UHFFFAOYSA-N -2 1 306.680 3.607 20 0 DHADML CCCCOc1ccc(C(=O)Nc2ccccc2O)c([O-])c1 ZINC000436987267 338296759 /nfs/dbraw/zinc/29/67/59/338296759.db2.gz IQHUJMWVCYQHCN-UHFFFAOYSA-N -2 1 301.342 3.529 20 0 DHADML CN(CCC1CCCCC1)C(=O)c1ccc(NC(=O)[O-])cc1[O-] ZINC000739664283 602858789 /nfs/dbraw/zinc/85/87/89/602858789.db2.gz ONHNMMMYCWAZFE-UHFFFAOYSA-N -2 1 320.389 3.525 20 0 DHADML O=C([O-])Nc1ccc(C(=O)Nc2c([O-])cccc2F)c(Cl)c1 ZINC000832838708 603624270 /nfs/dbraw/zinc/62/42/70/603624270.db2.gz LJUZPQDUBQNODQ-UHFFFAOYSA-N -2 1 324.695 3.527 20 0 DHADML O=C([O-])C/C(=C\c1cc([O-])cc(F)c1)c1nc2ccccc2o1 ZINC000349041728 1024665486 /nfs/dbraw/zinc/66/54/86/1024665486.db2.gz BDZKOIUIQDCNFO-VZUCSPMQSA-N -2 1 313.284 3.688 20 0 DHADML COc1cc(Nc2c(F)cc(F)c([O-])c2F)ccc1[S-] ZINC001176674242 1035311864 /nfs/dbraw/zinc/31/18/64/1035311864.db2.gz SLBZSMHHTIIMJN-UHFFFAOYSA-N -2 1 301.289 3.850 20 0 DHADML CC(=O)c1ccc([O-])c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436680277 338282535 /nfs/dbraw/zinc/28/25/35/338282535.db2.gz NBQMXFSBBWDBAV-UHFFFAOYSA-N -2 1 321.332 3.706 20 0 DHADML Cc1nc(S[C@@H](C)c2ccc(C(=O)[O-])o2)[n-]c(=O)c1C1CC1 ZINC001599965333 985893214 /nfs/dbraw/zinc/89/32/14/985893214.db2.gz AJLZUGZVVBERNF-QMMMGPOBSA-N -2 1 320.370 3.513 20 0 DHADML O=C([O-])c1ccc(NC(=S)Nc2cccc([O-])c2Cl)cc1 ZINC001197113063 1036691801 /nfs/dbraw/zinc/69/18/01/1036691801.db2.gz ZPFWCJVIVPFWRM-UHFFFAOYSA-N -2 1 322.773 3.553 20 0 DHADML O=C([O-])c1ccc2nc(/C=C/c3ccc([O-])c(F)c3)ccc2c1 ZINC000436662984 338281961 /nfs/dbraw/zinc/28/19/61/338281961.db2.gz HOLGIYTVFIWPNW-ORCRQEGFSA-N -2 1 309.296 3.948 20 0 DHADML [O-]c1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cc1F ZINC000236583672 340662740 /nfs/dbraw/zinc/66/27/40/340662740.db2.gz ZBTOFGAPGRHQNY-UHFFFAOYSA-N -2 1 306.680 3.607 20 0 DHADML Cc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1NC(=O)[O-] ZINC000829965664 605809748 /nfs/dbraw/zinc/80/97/48/605809748.db2.gz CKVBGENORCFLBF-UHFFFAOYSA-N -2 1 320.732 3.696 20 0 DHADML CC(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)c([O-])c1 ZINC001591943571 976480878 /nfs/dbraw/zinc/48/08/78/976480878.db2.gz VTSYTFZNYXXING-UHFFFAOYSA-N -2 1 317.316 3.605 20 0 DHADML O=C([O-])Nc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)ccc1F ZINC000740699687 602596392 /nfs/dbraw/zinc/59/63/92/602596392.db2.gz UHRFHSYKWPZHQC-UHFFFAOYSA-N -2 1 324.695 3.527 20 0 DHADML CCC[C@]1(C)CCCN(C(=O)c2ccc(NC(=O)[O-])cc2[O-])C1 ZINC000826769730 604029431 /nfs/dbraw/zinc/02/94/31/604029431.db2.gz VPSZWOSNGMBXBV-QGZVFWFLSA-N -2 1 320.389 3.525 20 0 DHADML COc1cc(Nc2cc([O-])c(Cl)cc2F)cc(C(=O)[O-])c1 ZINC001213592302 1015719554 /nfs/dbraw/zinc/71/95/54/1015719554.db2.gz AYTOYXHARGITCP-UHFFFAOYSA-N -2 1 311.696 3.635 20 0 DHADML COc1cc(C(=O)[O-])ccc1Nc1cc([O-])c(Cl)cc1F ZINC001174677786 1034545456 /nfs/dbraw/zinc/54/54/56/1034545456.db2.gz PPIFCBHCYOBWCM-UHFFFAOYSA-N -2 1 311.696 3.635 20 0 DHADML O=C([O-])c1ccc2oc(/C=C/c3c(F)ccc([O-])c3F)nc2c1 ZINC000485971639 1036062770 /nfs/dbraw/zinc/06/27/70/1036062770.db2.gz ASMJQDUXMFJSOO-QHHAFSJGSA-N -2 1 317.247 3.680 20 0 DHADML O=C(Nc1c([O-])cccc1F)c1ccc2[n-]c(=S)oc2c1 ZINC000089541422 1036922291 /nfs/dbraw/zinc/92/22/91/1036922291.db2.gz XDYFOWNGJOJPBF-UHFFFAOYSA-N -2 1 304.302 3.587 20 0 DHADML