smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nnc2c(C(=O)NCC(=O)c3ccc([O-])c(O)c3)ncn2c1=O ZINC001152760360 793241211 /nfs/dbraw/zinc/24/12/11/793241211.db2.gz WHEFNYAMJWJVIV-UHFFFAOYSA-N -1 1 344.287 -1.153 20 10 EACDMM O=C(CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001187524290 790475145 /nfs/dbraw/zinc/47/51/45/790475145.db2.gz JGXGHESTJGOBNO-VIFPVBQESA-N -1 1 335.316 -1.209 20 10 EACDMM