smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(=O)[O-] ZINC000049820645 222001891 /nfs/dbraw/zinc/00/18/91/222001891.db2.gz LXNCWECCTQQXPQ-ZJUUUORDSA-N 0 0 397.388 -1.979 1 10 GACFRN