smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC(=O)N1C[C@@H]2COCCN2C2(C[NH+](Cc3ccc(O)c(O)c3)C2)C1 ZINC000604381783 570352610 /nfs/dbraw/zinc/35/26/10/570352610.db2.gz ODNVMSVLCIVCGE-OAHLLOKOSA-N 1 2 377.441 -0.158 40 10 biogenic,in-vitro GBCBLO