smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N+](=O)[O-])ccc1Nc1cc[nH+]c2ccc(Br)cc12 ZINC000041055280 205087328 /nfs/dbraw/zinc/08/73/28/205087328.db2.gz HDFADNJTNZMDEE-UHFFFAOYSA-N 1 2 358.195 4.958 10 5 FJBELO CC(C)c1ccc([C@@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000051590916 568098346 /nfs/dbraw/zinc/09/83/46/568098346.db2.gz TVJABDOQBBCXAR-CQSZACIVSA-N 1 2 366.421 4.619 10 5 FJBELO CC(C)c1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 ZINC000051590917 568098262 /nfs/dbraw/zinc/09/82/62/568098262.db2.gz TVJABDOQBBCXAR-AWEZNQCLSA-N 1 2 366.421 4.619 10 5 FJBELO