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=C/c2ccc([O-])cc2)cc(C)c2cccc1-2 ZINC000003131025 567851636 /nfs/dbraw/zinc/85/16/36/567851636.db2.gz BOLYZRLWYHQDTO-VOTSOKGWSA-N -1 3 274.363 5.284 50 0 CKAAHM [O-]c1cccc2ccc(/C=C/c3cccc4ccccc34)nc12 ZINC000004755260 170012247 /nfs/dbraw/zinc/01/22/47/170012247.db2.gz MSXVYODTAOLCGW-ACCUITESSA-N -1 3 297.357 5.264 50 0 CKAAHM CC(C)(C)c1ccc(Oc2cc(C(C)(C)C)ccc2[O-])cc1 ZINC000005642537 567859681 /nfs/dbraw/zinc/85/96/81/567859681.db2.gz MDRJUOUHBQUBDV-UHFFFAOYSA-N -1 3 298.426 5.780 50 0 CKAAHM COc1cc([O-])cc(/C=C/c2ccccc2)c1CC=C(C)C ZINC000012153774 170471557 /nfs/dbraw/zinc/47/15/57/170471557.db2.gz NFAWEPOBHKEHPO-ZHACJKMWSA-N -1 3 294.394 5.080 50 0 CKAAHM Cc1sc(-c2ccccc2[O-])nc1-c1cc(C)ccc1C ZINC000065565535 567930485 /nfs/dbraw/zinc/93/04/85/567930485.db2.gz VHEGQCFYWCCKFO-UHFFFAOYSA-N -1 3 295.407 5.108 50 0 CKAAHM