smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CC[NH+]1CCOCC1)Nc1ccc2c(c1)[nH]c1cc(NC(=O)CC[NH+]3CCOCC3)ccc1c2=O ZINC000028393060 561922629 /nfs/dbraw/zinc/92/26/29/561922629.db2.gz HLXNPIWLUUMGMK-UHFFFAOYSA-N 2 2 507.591 2.003 1 5 KEBFLP CC1(C)Cc2cc3[nH]c(cc4[nH+]c(cc5[nH]c(cc1[nH+]2)cc5C(=O)N(CC[NH3+])CC[NH3+])CC4(C)C)cc3C(=O)N(CC[NH3+])CC[NH3+] ZINC000049802599 562685830 /nfs/dbraw/zinc/68/58/30/562685830.db2.gz XDGZTPNUHPZCDH-UHFFFAOYSA-N 6 2 628.826 2.075 1 5 KEBFLP CC1(C)Cc2cc3[nH]c(cc4[nH+]c(cc5[nH]c(cc1n2)cc5C(=O)N(CC[NH3+])CC[NH3+])CC4(C)C)cc3C(=O)N(CC[NH3+])CC[NH3+] ZINC000049802599 562685829 /nfs/dbraw/zinc/68/58/29/562685829.db2.gz XDGZTPNUHPZCDH-UHFFFAOYSA-N 5 2 628.826 2.075 1 5 KEBFLP CN1CC[NH+](CCCNc2cc3c(=O)n(Cc4ccco4)c(=O)c4c(NCCCN5CC[NH+](C)CC5)cc5c(=O)n(Cc6ccco6)c(=O)c2c5c34)CC1 ZINC000095588936 562774791 /nfs/dbraw/zinc/77/47/91/562774791.db2.gz JFCWCTBJSWNARY-UHFFFAOYSA-N 2 2 736.874 2.447 1 5 KEBFLP CN1CC[NH+](CCCNc2cc3c(=O)n(Cc4ccco4)c(=O)c4c(NCCC[NH+]5CCN(C)CC5)cc5c(=O)n(Cc6ccco6)c(=O)c2c5c34)CC1 ZINC000095588936 562774790 /nfs/dbraw/zinc/77/47/90/562774790.db2.gz JFCWCTBJSWNARY-UHFFFAOYSA-N 2 2 736.874 2.447 1 5 KEBFLP C[NH+](C)CCn1c(=O)c2ccc(NCC[NH+](C)CCNc3ccc4c(=O)n(CC[NH+](C)C)c(=O)n5c6ccccc6c(=O)c3c45)c3c(=O)c4ccccc4n(c1=O)c23 ZINC000150570866 562845081 /nfs/dbraw/zinc/84/50/81/562845081.db2.gz XNKDSQCYQRFAPP-UHFFFAOYSA-N 3 2 783.890 2.024 1 5 KEBFLP