smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@@H](CC)COc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000020096641 567880897 /nfs/dbraw/zinc/88/08/97/567880897.db2.gz GPCHPCGSBLALBM-LLVKDONJSA-N -2 0 294.347 3.678 50 0 CHAARL Cc1ccc(C)c(-c2c(C)ccc(C)c2C(=O)[O-])c1C(=O)[O-] ZINC000004419598 567857352 /nfs/dbraw/zinc/85/73/52/567857352.db2.gz JYPCQCJSOFGSSM-UHFFFAOYSA-N -2 0 298.338 3.984 50 0 CHAARL O=C([O-])CCCCCc1ccc(CCCCC(=O)[O-])s1 ZINC000004343284 567856909 /nfs/dbraw/zinc/85/69/09/567856909.db2.gz BPVASHJUBZUJMW-UHFFFAOYSA-N -2 0 298.404 3.733 50 0 CHAARL CC(=C\C(=O)[O-])/C(=C\C[C@@H](C)CCCC(C)C)C(=O)[O-] ZINC000004996999 1120942417 /nfs/dbraw/zinc/94/24/17/1120942417.db2.gz AFAUEBFIKITXQG-CJKXAKFJSA-N -2 0 282.380 3.881 50 0 CHAARL C[C@@H](C1CCCCC1)[C@@](C)(CCC(=O)[O-])CC(=O)[O-] ZINC000002204670 567065180 /nfs/dbraw/zinc/06/51/80/567065180.db2.gz HAYNPIYDTMTGOL-NHYWBVRUSA-N -2 0 270.369 3.549 50 0 CHAARL CCCCc1cc(C(=O)c2ccccc2)c(O)cc1O ZINC000002182839 570375077 /nfs/dbraw/zinc/37/50/77/570375077.db2.gz KWTMISVOOKXPBG-UHFFFAOYSA-N -2 0 270.328 3.671 50 0 CHAARL O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)c1ccc2ccccc2c1O ZINC000000268995 567926096 /nfs/dbraw/zinc/92/60/96/567926096.db2.gz PEAHXHATDQRGOQ-UONOGXRCSA-N -2 0 298.338 3.619 50 0 CHAARL C[C@@H](CCCCCCCC[C@H](C)C(=O)[O-])C(=O)[O-] ZINC000002029360 567844070 /nfs/dbraw/zinc/84/40/70/567844070.db2.gz VIOXNPPYWFKBCR-RYUDHWBXSA-N -2 0 258.358 3.549 50 0 CHAARL CCCCCCCCCCS[C@H](CC(=O)[O-])C(=O)[O-] ZINC000103007669 567942415 /nfs/dbraw/zinc/94/24/15/567942415.db2.gz NKXVVHDQBZYSRK-GFCCVEGCSA-N -2 0 290.425 3.788 50 0 CHAARL O=[P@@]([O-])(O)[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000012914121 566928259 /nfs/dbraw/zinc/92/82/59/566928259.db2.gz SAQLOZLISVUTON-ZDUSSCGKSA-N -2 0 297.678 3.628 50 0 CHAARL CCCC[C@H](CC)COc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000020096643 567880734 /nfs/dbraw/zinc/88/07/34/567880734.db2.gz GPCHPCGSBLALBM-NSHDSACASA-N -2 0 294.347 3.678 50 0 CHAARL CC(C)(C)c1ccc(OP(=O)([O-])[O-])c(C(C)(C)C)c1 ZINC000113627748 1120344862 /nfs/dbraw/zinc/34/48/62/1120344862.db2.gz KZGROEDUAFPSGN-UHFFFAOYSA-N -2 0 286.308 3.753 50 0 CHAARL C[C@H](CCCCCCCC[C@H](C)C(=O)[O-])C(=O)[O-] ZINC000002029355 567844127 /nfs/dbraw/zinc/84/41/27/567844127.db2.gz VIOXNPPYWFKBCR-TXEJJXNPSA-N -2 0 258.358 3.549 50 0 CHAARL CCCCCCCCCCS[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000103007666 567942447 /nfs/dbraw/zinc/94/24/47/567942447.db2.gz NKXVVHDQBZYSRK-LBPRGKRZSA-N -2 0 290.425 3.788 50 0 CHAARL CC(C)(CCCCCCC(C)(C)C(=O)[O-])C(=O)[O-] ZINC000003619309 567853034 /nfs/dbraw/zinc/85/30/34/567853034.db2.gz LYDQREUUWSXQDS-UHFFFAOYSA-N -2 0 258.358 3.549 50 0 CHAARL O=C([O-])[C@H]1CCCC[C@H]1C(=O)c1ccc2ccccc2c1O ZINC000000268999 567926107 /nfs/dbraw/zinc/92/61/07/567926107.db2.gz PEAHXHATDQRGOQ-KGLIPLIRSA-N -2 0 298.338 3.619 50 0 CHAARL O=C([O-])c1ccc(Cl)c2c(Cl)ccc(C(=O)[O-])c12 ZINC000016134194 567887986 /nfs/dbraw/zinc/88/79/86/567887986.db2.gz JSNPDRKCMZWQJV-UHFFFAOYSA-N -2 0 285.082 3.543 50 0 CHAARL CC(=C\C(=O)[O-])/C(=C\C[C@H](C)CCCC(C)C)C(=O)[O-] ZINC000002899142 1119150953 /nfs/dbraw/zinc/15/09/53/1119150953.db2.gz AFAUEBFIKITXQG-UDXCTOHFSA-N -2 0 282.380 3.881 50 0 CHAARL O=C([O-])[C@@H]1CCCC[C@H]1C(=O)c1ccc2ccccc2c1O ZINC000000268997 567926058 /nfs/dbraw/zinc/92/60/58/567926058.db2.gz PEAHXHATDQRGOQ-ZIAGYGMSSA-N -2 0 298.338 3.619 50 0 CHAARL C[C@H](C1CCCCC1)[C@](C)(CCC(=O)[O-])CC(=O)[O-] ZINC000002204676 567065198 /nfs/dbraw/zinc/06/51/98/567065198.db2.gz HAYNPIYDTMTGOL-IAQYHMDHSA-N -2 0 270.369 3.549 50 0 CHAARL O=C([O-])c1cc(F)cc(-c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000065353989 567898422 /nfs/dbraw/zinc/89/84/22/567898422.db2.gz ZFXHNLDPBUCFRO-UHFFFAOYSA-N -2 0 294.665 3.543 50 0 CHAARL O=C([O-])[C@H]1CCCC[C@@H]1C(=O)c1ccc2ccccc2c1O ZINC000000268998 567925962 /nfs/dbraw/zinc/92/59/62/567925962.db2.gz PEAHXHATDQRGOQ-KBPBESRZSA-N -2 0 298.338 3.619 50 0 CHAARL O=C([O-])c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1F ZINC000065354016 175720345 /nfs/dbraw/zinc/72/03/45/175720345.db2.gz MFEASKHAYHUMIN-UHFFFAOYSA-N -2 0 294.665 3.543 50 0 CHAARL C[C@@H](C1CCCCC1)[C@](C)(CCC(=O)[O-])CC(=O)[O-] ZINC000002204674 567066292 /nfs/dbraw/zinc/06/62/92/567066292.db2.gz HAYNPIYDTMTGOL-XHDPSFHLSA-N -2 0 270.369 3.549 50 0 CHAARL O=[P@@]([O-])(O)[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000012914118 566927834 /nfs/dbraw/zinc/92/78/34/566927834.db2.gz SAQLOZLISVUTON-CYBMUJFWSA-N -2 0 297.678 3.628 50 0 CHAARL C[C@H](C1CCCCC1)[C@@](C)(CCC(=O)[O-])CC(=O)[O-] ZINC000002204671 567066240 /nfs/dbraw/zinc/06/62/40/567066240.db2.gz HAYNPIYDTMTGOL-ABAIWWIYSA-N -2 0 270.369 3.549 50 0 CHAARL O=C([O-])CCCCCCCCCCCCC(=O)[O-] ZINC000003860440 567854061 /nfs/dbraw/zinc/85/40/61/567854061.db2.gz HQHCYKULIHKCEB-UHFFFAOYSA-N -2 0 258.358 3.837 50 0 endogenous,in-man CHAARL Cc1oc2c(c1C(=O)[O-])c(N=O)c([O-])c1ccccc21 ZINC000004697489 170000779 /nfs/dbraw/zinc/00/07/79/170000779.db2.gz QXZKGRCPCUQDJC-UHFFFAOYSA-N -2 0 271.228 3.696 50 0 CHAARL C[C@H](CCCCCCCC[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC000002029358 567843921 /nfs/dbraw/zinc/84/39/21/567843921.db2.gz VIOXNPPYWFKBCR-VXGBXAGGSA-N -2 0 258.358 3.549 50 0 CHAARL Cc1c2ccc([O-])cc2oc(=O)c1-c1ccccc1[S-] ZINC000002573930 567848417 /nfs/dbraw/zinc/84/84/17/567848417.db2.gz ZPCYWCNBLXLBRW-UHFFFAOYSA-N -2 0 284.336 3.763 50 0 CHAARL