smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1nc(Cl)nc(N2CCC(N3CCC(C(=O)OCC)CC3)CC2)c1[N+](=O)[O-] ZINC001164614472 719022362 /nfs/dbraw/zinc/02/23/62/719022362.db2.gz TVTNEUZHCMZNCH-UHFFFAOYSA-N 0 3 469.926 2.459 20 5 JEBDHN