smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)/N=C(/C[PH+](N(C(C)C)C(C)C)N(C(C)C)C(C)C)c1ccccc1 ZINC000043879557 570380947 /nfs/dbraw/zinc/38/09/47/570380947.db2.gz SRFRKWGDVQZNQS-VHXPQNKSSA-N 1 0 391.584 6.434 30 30 GKECRO