smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(C[C@@H](CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000025757832 570418841 /nfs/dbraw/zinc/41/88/41/570418841.db2.gz RPBJIOJIMOUOIN-ZDUSSCGKSA-N -4 3 397.384 -0.878 50 10 GBCAHL Nc1ccc(C[C@H](CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000025757836 570418831 /nfs/dbraw/zinc/41/88/31/570418831.db2.gz RPBJIOJIMOUOIN-CYBMUJFWSA-N -4 3 397.384 -0.878 50 10 GBCAHL