smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)C1=CC=C[CH]1 ZINC001233498020 1132628790 /nfs/dbraw/zinc/62/87/90/1132628790.db2.gz SROHOTKGQBFOLH-LLVKDONJSA-N -2 1 287.335 3.548 20 10 CHCDML Cc1c(NCc2cccc(Cl)c2[O-])cccc1C(=O)[O-] ZINC000165003638 959269600 /nfs/dbraw/zinc/26/96/00/959269600.db2.gz NYZAIDOWQNOFEY-UHFFFAOYSA-N -2 1 291.734 3.664 20 10 CHCDML CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C1=CC=C[CH]1 ZINC001233498043 1132628397 /nfs/dbraw/zinc/62/83/97/1132628397.db2.gz SROHOTKGQBFOLH-NSHDSACASA-N -2 1 287.335 3.548 20 10 CHCDML