smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(N)c(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000169349054 291249311 /nfs/dbraw/zinc/24/93/11/291249311.db2.gz WUTWVAZPXAGEMA-UHFFFAOYSA-N 1 2 317.305 0.971 1 5 DCBFLO O=[N+]([O-])c1ccc(CN2C[C@H]([NH+]3CC=CC3)CS2(=O)=O)cc1 ZINC000103063393 185430868 /nfs/dbraw/zinc/43/08/68/185430868.db2.gz YZXDEBQIDLJLMU-AWEZNQCLSA-N 1 2 323.374 0.981 3 5 DCBFLO Cn1c(=O)nc2n(-c3cc[nH+]cc3)c3ccccc3nc-2c1=O ZINC000013755550 181890147 /nfs/dbraw/zinc/89/01/47/181890147.db2.gz OZFVBMIPWZBTLG-UHFFFAOYSA-N 1 2 305.297 0.979 1 5 DCBFLO