smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccs2)[C@@H](c2ccc(Cl)cc2)C[N@@H+]1C ZINC000217766008 569881466 /nfs/dbraw/zinc/88/14/66/569881466.db2.gz UVEAYEIWIGNDLI-GQOCTPOGSA-N 1 2 452.963 4.786 40 70 JJIBLO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccs2)[C@@H](c2ccc(Cl)cc2)C[N@H+]1C ZINC000217766008 569881467 /nfs/dbraw/zinc/88/14/67/569881467.db2.gz UVEAYEIWIGNDLI-GQOCTPOGSA-N 1 2 452.963 4.786 40 70 JJIBLO