smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2[nH+]ccc(Nc3ccc([N+](=O)[O-])cc3Cl)c2c1 ZINC000041054769 183159671 /nfs/dbraw/zinc/15/96/71/183159671.db2.gz GJOKLHZSZZFFSQ-UHFFFAOYSA-N 1 1 313.744 4.848 10 5 DJBEMO Cc1cccc2c(Nc3ccc(Cl)c([N+](=O)[O-])c3)cc[nH+]c12 ZINC000041055192 183159622 /nfs/dbraw/zinc/15/96/22/183159622.db2.gz CLOOMARLRNHUEJ-UHFFFAOYSA-N 1 1 313.744 4.848 10 5 DJBEMO Cc1cccc2c(Nc3ccc([N+](=O)[O-])cc3Cl)cc[nH+]c12 ZINC000041055153 183159257 /nfs/dbraw/zinc/15/92/57/183159257.db2.gz GHISUYJRKWKYDV-UHFFFAOYSA-N 1 1 313.744 4.848 10 5 DJBEMO