smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])c(S(=O)(=O)[O-])cc1N=NC(N=Nc1cc(S(=O)(=O)[O-])c([N+](=O)[O-])cc1OC)C(=O)Nc1ccccc1 ZINC000263607623 1059662556 /nfs/dbraw/zinc/66/25/56/1059662556.db2.gz SDLXZYXLQUWDNF-UHFFFAOYSA-N -2 2 653.564 3.162 40 30 KGEBLL