smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(CSC[C@H]2O[C@@H](n3c[nH+]c4c3NC=NC[C@@H]4O)[C@H](O)[C@@H]2O)cc1 ZINC000027330563 563041708 /nfs/dbraw/zinc/04/17/08/563041708.db2.gz QQWKTZGCGSGJMU-IQNGCQKYSA-N 1 2 435.462 0.831 1 5 ICBFLO O=[N+]([O-])c1ccc(CSC[C@H]2O[C@H](n3c[nH+]c4c3NC=NC[C@@H]4O)[C@H](O)[C@@H]2O)cc1 ZINC000049090054 563138159 /nfs/dbraw/zinc/13/81/59/563138159.db2.gz QQWKTZGCGSGJMU-OKFZQYIDSA-N 1 2 435.462 0.831 1 5 ICBFLO