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)c1cccc(C(C)C)c1NC(=O)C(=Cc1nc2ccc(Cl)cc2[nH]c1=O)NNC(=O)C[N+](C)(C)C ZINC000005723943 717100960 /nfs/dbraw/zinc/10/09/60/717100960.db2.gz ASMLNVODHCXAKV-UHFFFAOYSA-O 1 0 540.088 4.183 40 50 KIGBRO