smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Cl)ccc2c(Nc3ccc([N+](=O)[O-])cc3)cc[nH+]c12 ZINC000040358912 183056254 /nfs/dbraw/zinc/05/62/54/183056254.db2.gz ADYODRXNAVCYPG-UHFFFAOYSA-N 1 2 313.744 4.848 10 5 DJBELO CC(=O)Oc1ccc2c(ccc3c(C)c4ccccc4[nH+]c23)c1 ZINC000584591638 337373494 /nfs/dbraw/zinc/37/34/94/337373494.db2.gz BQYVJAHZMHZPJY-UHFFFAOYSA-N 1 2 301.345 4.775 10 5 DJBELO Cc1cc([N+](=O)[O-])ccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000041055089 183158932 /nfs/dbraw/zinc/15/89/32/183158932.db2.gz WBMBIPQSIQJQAW-UHFFFAOYSA-N 1 2 313.744 4.848 10 5 DJBELO Cc1c(Cl)ccc2c(Nc3cccc([N+](=O)[O-])c3)cc[nH+]c12 ZINC000041055510 183160519 /nfs/dbraw/zinc/16/05/19/183160519.db2.gz CTSQEMREOVDIQY-UHFFFAOYSA-N 1 2 313.744 4.848 10 5 DJBELO