smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](NC(=O)[C@H](CC(=O)N[O-])Cc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000029317506 182560070 /nfs/dbraw/zinc/56/00/70/182560070.db2.gz NCRRVZWKRMMUSN-WZRBSPASSA-N -2 3 322.361 0.966 1 30 DCEFHL