smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000001069832 212213957 /nfs/dbraw/zinc/21/39/57/212213957.db2.gz COLMXPPNIQTSDI-LFIBNONCSA-N -1 2 379.372 2.117 10 10 GECELM