smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5C#CC[N+](C)(C)C)CC4(C)C)cc3C#CC[N+](C)(C)C ZINC000049783984 717130421 /nfs/dbraw/zinc/13/04/21/717130421.db2.gz JGZCHTJDDZRLBJ-UHFFFAOYSA-N 2 3 562.806 5.471 1 30 KKEFHP CCN(CC)C(NC(=N)Nc1ccc(Cl)c(Cl)c1)=[NH+]CCCCCC[NH+]=C(NC(=N)Nc1ccc(Cl)c(Cl)c1)N(CC)CC ZINC000058482920 562698080 /nfs/dbraw/zinc/69/80/80/562698080.db2.gz OGOAWBXGEDIFQC-UHFFFAOYSA-N 2 3 686.564 7.829 1 30 KKEFHP CCCCCCCNc1c2ccc(NC(=O)CC[NH+]3CCCC3)cc2nc2cc(NC(=O)CC[NH+]3CCCC3)ccc21 ZINC000038156956 562068483 /nfs/dbraw/zinc/06/84/83/562068483.db2.gz FYJJHYDYJBEYRM-UHFFFAOYSA-N 2 3 572.798 6.619 1 30 KKEFHP