smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCCNC2=O)c1	ZINC000766322404	1077577786	/nfs/dbraw/zinc/57/77/86/1077577786.db2.gz	PFWJGAAPWWIXDB-UHFFFAOYSA-N	-2	3	406.420	2.329	20	5		HEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CN2CCOC2=O)cc1	ZINC000766317534	1077431756	/nfs/dbraw/zinc/43/17/56/1077431756.db2.gz	DTVDIHLEMWODKT-UHFFFAOYSA-N	-2	3	407.404	2.362	20	5		HEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1	ZINC000766319344	1077445652	/nfs/dbraw/zinc/44/56/52/1077445652.db2.gz	AMLHRIDZFGBRMP-UHFFFAOYSA-N	-2	3	411.411	2.385	20	5		HEBDHL
COc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1N1CCOC1=O	ZINC000743268761	1077019991	/nfs/dbraw/zinc/01/99/91/1077019991.db2.gz	JRNVNWJUDYLVML-UHFFFAOYSA-N	-2	3	409.376	2.066	20	5		HEBDHL
COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1N1CCOC1=O	ZINC000766322482	1077599849	/nfs/dbraw/zinc/59/98/49/1077599849.db2.gz	QKFNZGGJMTWTID-UHFFFAOYSA-N	-2	3	423.403	2.375	20	5		HEBDHL
CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1F	ZINC000771148406	1079161263	/nfs/dbraw/zinc/16/12/63/1079161263.db2.gz	LVYZCKPZDHQNCJ-UHFFFAOYSA-N	-2	3	407.376	2.045	20	5		HEBDHL
O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[N-]C(=O)c1ccc(OC(F)F)cc1	ZINC000769047946	1080894452	/nfs/dbraw/zinc/89/44/52/1080894452.db2.gz	QGEARGXGFJMACK-UHFFFAOYSA-N	-2	3	410.285	2.015	20	5		HEBDHL
C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])[N-]S(=O)(=O)c1cccnc1Cl	ZINC000770856827	1079040940	/nfs/dbraw/zinc/04/09/40/1079040940.db2.gz	NHXNLSJBHCDTAY-VIFPVBQESA-N	-2	3	414.827	2.044	20	5		HEBDHL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F	ZINC000770858169	1079041469	/nfs/dbraw/zinc/04/14/69/1079041469.db2.gz	QKDQEMNUEMOWIA-UHFFFAOYSA-N	-2	3	413.358	2.272	20	5		HEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CN2CCOC2=O)c1	ZINC000766322012	1077437123	/nfs/dbraw/zinc/43/71/23/1077437123.db2.gz	YQZLDYWOXXKOQL-UHFFFAOYSA-N	-2	3	407.404	2.362	20	5		HEBDHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1	ZINC000742031905	1076726998	/nfs/dbraw/zinc/72/69/98/1076726998.db2.gz	HSXBUBNIDPLJIS-UHFFFAOYSA-N	-2	3	403.413	2.215	20	5		HEBDHL
Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1	ZINC000742031114	1076726766	/nfs/dbraw/zinc/72/67/66/1076726766.db2.gz	VKTLGHOSBQTHIQ-UHFFFAOYSA-N	-2	3	403.413	2.215	20	5		HEBDHL
Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)ccc1N1C(=O)CCC1=O	ZINC000766317347	1077432269	/nfs/dbraw/zinc/43/22/69/1077432269.db2.gz	KESLYDIBAMITIF-UHFFFAOYSA-N	-2	3	419.415	2.371	20	5		HEBDHL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2C(=O)CCCC2=O)cc1	ZINC000766320416	1077450881	/nfs/dbraw/zinc/45/08/81/1077450881.db2.gz	OCOFVYKJHIPKSB-UHFFFAOYSA-N	-2	3	419.415	2.453	20	5		HEBDHL
O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1	ZINC000785702446	1080172991	/nfs/dbraw/zinc/17/29/91/1080172991.db2.gz	NZFSVNCCRHRKAW-UHFFFAOYSA-N	-2	3	405.182	2.127	20	5		HEBDHL
C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])[N-]S(=O)(=O)c1cccnc1Cl	ZINC000770856822	1079041378	/nfs/dbraw/zinc/04/13/78/1079041378.db2.gz	NHXNLSJBHCDTAY-SECBINFHSA-N	-2	3	414.827	2.044	20	5		HEBDHL
O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1	ZINC000785703540	1080213602	/nfs/dbraw/zinc/21/36/02/1080213602.db2.gz	VUBRUIFAZFGRIO-UHFFFAOYSA-N	-2	3	405.182	2.127	20	5		HEBDHL