smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=[N+]=Nc1ccc(NCCC[N@@H+](C)CCCNC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@H]23)c([N+](=O)[O-])c1 ZINC000071404949 553635999 /nfs/dbraw/zinc/63/59/99/553635999.db2.gz CAZXNQOTSADGDY-WPYKKVEZSA-O 2 1 533.679 2.553 40 10 KFCBMP C=[N+]=Nc1ccc(NCCC[N@@H+](C)CCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c([N+](=O)[O-])c1 ZINC000071404952 553636008 /nfs/dbraw/zinc/63/60/08/553636008.db2.gz CAZXNQOTSADGDY-RRPUWOKSSA-O 2 1 533.679 2.553 40 10 KFCBMP