smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)CSc2nc(N=NCc3cc(OC)c(O)cc3[N+](=O)[O-])n[n-]2)cc1 ZINC000020248070 555742455 /nfs/dbraw/zinc/74/24/55/555742455.db2.gz OBHQZNPSTVSUFA-AWQFTUOYSA-N -1 1 458.456 2.857 10 30 JFEEMM