smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)([N+](=O)[O-])[N+](=O)Nc1nonc1N=Nc1nonc1N[N+](=O)C(C)(C)[N+](=O)[O-] ZINC000225422837 568885217 /nfs/dbraw/zinc/88/52/17/568885217.db2.gz BMSPADXLEBOJMT-QXMHVHEDSA-N 2 2 430.298 1.864 50 10 IDCALP COc1ccc(N2CC[NH+](CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)CC2)cc1 ZINC000023652821 557103136 /nfs/dbraw/zinc/10/31/36/557103136.db2.gz PALRCNILAKIEMF-UHFFFAOYSA-N 2 2 430.593 1.969 50 10 IDCALP