smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C=Cc1ccc(O)c(O)c1 ZINC000053242950 563141450 /nfs/dbraw/zinc/14/14/50/563141450.db2.gz ZRVXJMLLABFRDT-FVPDLXMVSA-N -1 1 431.405 -0.994 1 10 IBCFMM NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)[O-])NC(=O)C=Cc1ccc(O)c(O)c1 ZINC000053296548 563141902 /nfs/dbraw/zinc/14/19/02/563141902.db2.gz KPXLYFZTGJKBGJ-FVPDLXMVSA-N -1 1 431.405 -0.994 1 10 IBCFMM