smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000045365028	374548688	/nfs/dbraw/zinc/54/86/88/374548688.db2.gz	HIYZMSMAHUDEIQ-UHFFFAOYSA-N	0	2	306.234	-0.211	40	5		DBBBLN
O=c1[nH]cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)[nH]1	ZINC000010188263	382523577	/nfs/dbraw/zinc/52/35/77/382523577.db2.gz	TUBYJPIAZAHMHD-UHFFFAOYSA-N	0	2	312.263	-0.228	40	5		DBBBLN
COC1=C[C@]2([N+](=O)[O-])C[N@H+](CC(=O)[O-])C[C@]([N+](=O)[O-])(C1)C2	ZINC000004548220	292150874	/nfs/dbraw/zinc/15/08/74/292150874.db2.gz	DMEAVVQXFVHSJR-MNOVXSKESA-N	0	2	301.255	-0.258	40	5		DBBBLN
COC1=C[C@]2([N+](=O)[O-])C[N@@H+](CC(=O)[O-])C[C@]([N+](=O)[O-])(C1)C2	ZINC000004548220	292150875	/nfs/dbraw/zinc/15/08/75/292150875.db2.gz	DMEAVVQXFVHSJR-MNOVXSKESA-N	0	2	301.255	-0.258	40	5		DBBBLN
O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc([N+](=O)[O-])ccc1O	ZINC000217413806	257132646	/nfs/dbraw/zinc/13/26/46/257132646.db2.gz	RSQMIXNESMNVEQ-CBAPKCEASA-N	0	2	313.291	-0.004	40	5		DBBBLN
O=c1[nH]cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1	ZINC000010188264	382524378	/nfs/dbraw/zinc/52/43/78/382524378.db2.gz	NZKHOKGEBSZSEB-UHFFFAOYSA-N	0	2	312.263	-0.228	40	5		DBBBLN
O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1c1cc([N+](=O)[O-])ccc1O	ZINC000217413718	257132476	/nfs/dbraw/zinc/13/24/76/257132476.db2.gz	RSQMIXNESMNVEQ-IONNQARKSA-N	0	2	313.291	-0.004	40	5		DBBBLN
O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc([N+](=O)[O-])ccc1O	ZINC000217413886	257132260	/nfs/dbraw/zinc/13/22/60/257132260.db2.gz	RSQMIXNESMNVEQ-VXNVDRBHSA-N	0	2	313.291	-0.004	40	5		DBBBLN
O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc([N+](=O)[O-])ccc1O	ZINC000217413966	257132421	/nfs/dbraw/zinc/13/24/21/257132421.db2.gz	RSQMIXNESMNVEQ-APPZFPTMSA-N	0	2	313.291	-0.004	40	5		DBBBLN