smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(C(=O)C(=Cc2ccc(N(C)C)cc2)Sc2nnc(C)[nH]2)CC1 ZINC000048513206 558845524 /nfs/dbraw/zinc/84/55/24/558845524.db2.gz ZTHZJKWSYBMKEY-NBVRZTHBSA-N 1 2 400.552 2.476 10 10 HECELO CC[NH+]1CCN(C(=O)C(=Cc2ccc(N(C)C)cc2)Sc2nc(C)n[nH]2)CC1 ZINC000048513206 558845527 /nfs/dbraw/zinc/84/55/27/558845527.db2.gz ZTHZJKWSYBMKEY-NBVRZTHBSA-N 1 2 400.552 2.476 10 10 HECELO