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([O-])c1cc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc([N+](=O)[O-])c1	ZINC000003999016	181060710	/nfs/dbraw/zinc/06/07/10/181060710.db2.gz	NTYQLZCIRRRKCF-VLEAKVRGSA-N	-1	0	314.250	-0.856	40	5		DBBBRM
CNC(=O)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000255190021	382497883	/nfs/dbraw/zinc/49/78/83/382497883.db2.gz	UKZMVAIYCLRSQC-UHFFFAOYSA-N	-1	0	321.698	-0.201	40	5		DBBBRM
O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([N+](=O)[O-])cc1[O-]	ZINC000217414644	257132515	/nfs/dbraw/zinc/13/25/15/257132515.db2.gz	XJNWRVZWSSNFJK-APPZFPTMSA-N	-1	0	313.291	-0.004	40	5		DBBBRM
O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000045365028	374548667	/nfs/dbraw/zinc/54/86/67/374548667.db2.gz	HIYZMSMAHUDEIQ-UHFFFAOYSA-N	-1	0	306.234	-0.211	40	5		DBBBRM
O=c1[nH]cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(=O)[nH]1	ZINC000010188263	382523560	/nfs/dbraw/zinc/52/35/60/382523560.db2.gz	TUBYJPIAZAHMHD-UHFFFAOYSA-N	-1	0	312.263	-0.228	40	5		DBBBRM
O=C([O-])c1cc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc([N+](=O)[O-])c1	ZINC000003999017	181060532	/nfs/dbraw/zinc/06/05/32/181060532.db2.gz	NTYQLZCIRRRKCF-ZRUFSTJUSA-N	-1	0	314.250	-0.856	40	5		DBBBRM
COC1=C[C@]2([N+](=O)[O-])CN(CC(=O)[O-])C[C@]([N+](=O)[O-])(C1)C2	ZINC000004548220	292150873	/nfs/dbraw/zinc/15/08/73/292150873.db2.gz	DMEAVVQXFVHSJR-MNOVXSKESA-N	-1	0	301.255	-0.258	40	5		DBBBRM
O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([N+](=O)[O-])cc1[O-]	ZINC000217414498	257132163	/nfs/dbraw/zinc/13/21/63/257132163.db2.gz	XJNWRVZWSSNFJK-CBAPKCEASA-N	-1	0	313.291	-0.004	40	5		DBBBRM
O=C([O-])CN([N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000408822009	392528161	/nfs/dbraw/zinc/52/81/61/392528161.db2.gz	CCJCBOMMQGMDQZ-UHFFFAOYSA-N	-1	0	305.224	-0.138	40	5		DBBBRM
O=C1N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000217413806	257132645	/nfs/dbraw/zinc/13/26/45/257132645.db2.gz	RSQMIXNESMNVEQ-CBAPKCEASA-N	-1	0	313.291	-0.004	40	5		DBBBRM
O=c1[nH]cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(=O)[nH]1	ZINC000010188264	382524372	/nfs/dbraw/zinc/52/43/72/382524372.db2.gz	NZKHOKGEBSZSEB-UHFFFAOYSA-N	-1	0	312.263	-0.228	40	5		DBBBRM
O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000217413718	257132474	/nfs/dbraw/zinc/13/24/74/257132474.db2.gz	RSQMIXNESMNVEQ-IONNQARKSA-N	-1	0	313.291	-0.004	40	5		DBBBRM
O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000003061406	180979264	/nfs/dbraw/zinc/97/92/64/180979264.db2.gz	RHMQKIHYMYMTLH-UHFFFAOYSA-N	-1	0	317.279	-0.926	40	5		DBBBRM
O=C([O-])c1cc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc([N+](=O)[O-])c1	ZINC000002106755	381058631	/nfs/dbraw/zinc/05/86/31/381058631.db2.gz	NTYQLZCIRRRKCF-LNFKQOIKSA-N	-1	0	314.250	-0.856	40	5		DBBBRM
O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc([N+](=O)[O-])cc1[O-]	ZINC000217414567	257132066	/nfs/dbraw/zinc/13/20/66/257132066.db2.gz	XJNWRVZWSSNFJK-VXNVDRBHSA-N	-1	0	313.291	-0.004	40	5		DBBBRM
O=C1N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000217413886	257132259	/nfs/dbraw/zinc/13/22/59/257132259.db2.gz	RSQMIXNESMNVEQ-VXNVDRBHSA-N	-1	0	313.291	-0.004	40	5		DBBBRM
O=C([O-])c1cc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc([N+](=O)[O-])c1	ZINC000003999015	181060400	/nfs/dbraw/zinc/06/04/00/181060400.db2.gz	NTYQLZCIRRRKCF-ZDCRXTMVSA-N	-1	0	314.250	-0.856	40	5		DBBBRM
CS(=O)(=O)c1ccc(S(=O)(=O)CC(=O)[O-])c([N+](=O)[O-])c1	ZINC000002684858	382628532	/nfs/dbraw/zinc/62/85/32/382628532.db2.gz	UXZPNWWUONXZII-UHFFFAOYSA-N	-1	0	323.304	-0.143	40	5		DBBBRM
O=C1N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000217413966	257132419	/nfs/dbraw/zinc/13/24/19/257132419.db2.gz	RSQMIXNESMNVEQ-APPZFPTMSA-N	-1	0	313.291	-0.004	40	5		DBBBRM
O=C1N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc([N+](=O)[O-])cc1[O-]	ZINC000217414403	257132587	/nfs/dbraw/zinc/13/25/87/257132587.db2.gz	XJNWRVZWSSNFJK-IONNQARKSA-N	-1	0	313.291	-0.004	40	5		DBBBRM