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)/C=[NH+]/c1ccc(-c2cc3cc(/[NH+]=C/N(C)C)ccc3o2)cc1 ZINC000100979108 219113148 /nfs/dbraw/zinc/11/31/48/219113148.db2.gz SYJJISZNVGQPIP-JFMUQQRKSA-N 2 0 334.423 4.543 1 30 EJEFRP CCCCCCCCCCCCCC[NH2+]C[C@H]([NH3+])CCCC[NH3+] ZINC000043335133 213577030 /nfs/dbraw/zinc/57/70/30/213577030.db2.gz WVHHFNFSRWCZMU-HXUWFJFHSA-N 3 0 327.601 4.733 1 30 EJEFRP