smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1C	ZINC000223321151	206438128	/nfs/dbraw/zinc/43/81/28/206438128.db2.gz	WQSPMLVRLWZAPK-UHFFFAOYSA-N	-1	1	363.351	2.447	40	5		FEBBMM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000007360924	263350088	/nfs/dbraw/zinc/35/00/88/263350088.db2.gz	JJBOXZVXSRTCSW-UHFFFAOYSA-N	-1	1	361.379	2.305	40	5		FEBBMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000100257452	543025061	/nfs/dbraw/zinc/02/50/61/543025061.db2.gz	MXHNDIYUPDFVRU-HOTGVXAUSA-N	-1	1	368.345	2.431	40	5		FEBBMM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1	ZINC000028195866	539827369	/nfs/dbraw/zinc/82/73/69/539827369.db2.gz	BTHFFDAULYQCIL-UHFFFAOYSA-N	-1	1	350.352	2.491	40	5		FEBBMM
Cc1c([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cccc1[N+](=O)[O-]	ZINC000019936609	220306085	/nfs/dbraw/zinc/30/60/85/220306085.db2.gz	LKGWDIQMIFOSRV-UHFFFAOYSA-N	-1	1	363.351	2.149	40	5		FEBBMM
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OC(C)=O	ZINC000409346521	570752124	/nfs/dbraw/zinc/75/21/24/570752124.db2.gz	LFJBLDQIYMDTEM-ALCCZGGFSA-N	-1	1	361.310	2.290	40	5		FEBBMM
Cc1ccccc1-c1noc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000223590956	548722158	/nfs/dbraw/zinc/72/21/58/548722158.db2.gz	OLHHCNVFYYMVKJ-UHFFFAOYSA-N	-1	1	374.378	2.432	40	5		FEBBMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1	ZINC000006316313	539425284	/nfs/dbraw/zinc/42/52/84/539425284.db2.gz	UIWHMIXBBXSCMJ-UHFFFAOYSA-N	-1	1	363.395	2.232	40	5		FEBBMM
COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000013632430	539589656	/nfs/dbraw/zinc/58/96/56/539589656.db2.gz	UHEBHJKCRPNCHY-UHFFFAOYSA-N	-1	1	350.352	2.491	40	5		FEBBMM
O=C(Oc1cccc(C=C2NC(=S)[N-]C2=O)c1)c1ccc([N+](=O)[O-])cc1	ZINC000408724187	558689198	/nfs/dbraw/zinc/68/91/98/558689198.db2.gz	HHVBKHLOWBAWDC-NTEUORMPSA-N	-1	1	369.358	2.159	40	5		FEBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000006362251	539425814	/nfs/dbraw/zinc/42/58/14/539425814.db2.gz	GSZITTSASOQZCW-UHFFFAOYSA-N	-1	1	350.352	2.475	40	5		FEBBMM
Cc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1	ZINC000223770249	548723785	/nfs/dbraw/zinc/72/37/85/548723785.db2.gz	YZQLINXSCDGRIS-UHFFFAOYSA-N	-1	1	374.378	2.432	40	5		FEBBMM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	ZINC000055547303	540658200	/nfs/dbraw/zinc/65/82/00/540658200.db2.gz	ORARLDBXIJUZFY-UHFFFAOYSA-N	-1	1	363.395	2.074	40	5		FEBBMM
COc1cc([N+](=O)[O-])cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])c1OC	ZINC000409192672	570738068	/nfs/dbraw/zinc/73/80/68/570738068.db2.gz	DXCNABREEUKMAN-VZUCSPMQSA-N	-1	1	366.355	2.256	40	5		FEBBMM
COc1cc([N+](=O)[O-])cc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])c1OC	ZINC000409192672	570738070	/nfs/dbraw/zinc/73/80/70/570738070.db2.gz	DXCNABREEUKMAN-VZUCSPMQSA-N	-1	1	366.355	2.256	40	5		FEBBMM
COc1cc(/C=C2/NC(=S)[N-]C2=O)c([N+](=O)[O-])cc1OCCC(C)C	ZINC000005481737	204210364	/nfs/dbraw/zinc/21/03/64/204210364.db2.gz	MIVPZZDZVMGADO-IZZDOVSWSA-N	-1	1	365.411	2.374	40	5		FEBBMM
Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1)oc(=O)n2C	ZINC000223338024	548719855	/nfs/dbraw/zinc/71/98/55/548719855.db2.gz	POMFNHQLQUKBPM-UHFFFAOYSA-N	-1	1	363.351	2.149	40	5		FEBBMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000004379900	204136896	/nfs/dbraw/zinc/13/68/96/204136896.db2.gz	MXHNDIYUPDFVRU-JKSUJKDBSA-N	-1	1	368.345	2.431	40	5		FEBBMM
Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C	ZINC000223321246	548719520	/nfs/dbraw/zinc/71/95/20/548719520.db2.gz	QEENJRLKZYNEIW-UHFFFAOYSA-N	-1	1	363.351	2.447	40	5		FEBBMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)ccc1C	ZINC000408595589	558687412	/nfs/dbraw/zinc/68/74/12/558687412.db2.gz	QVNSLGBOELHUBE-UHFFFAOYSA-N	-1	1	363.395	2.372	40	5		FEBBMM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc21	ZINC000225674524	548740025	/nfs/dbraw/zinc/74/00/25/548740025.db2.gz	MFQYNZQPPMLZIX-UHFFFAOYSA-N	-1	1	365.392	2.309	40	5		FEBBMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCOCC1	ZINC000008833690	539492586	/nfs/dbraw/zinc/49/25/86/539492586.db2.gz	LSCIRSDCVAZSAP-UHFFFAOYSA-N	-1	1	363.395	2.232	40	5		FEBBMM
CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	ZINC000223291498	548717989	/nfs/dbraw/zinc/71/79/89/548717989.db2.gz	HWAAACUFUJJAQQ-JXMROGBWSA-N	-1	1	361.379	2.155	40	5		FEBBMM
Cc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000223770343	548724030	/nfs/dbraw/zinc/72/40/30/548724030.db2.gz	IZAPGEGFZVGJNC-UHFFFAOYSA-N	-1	1	374.378	2.432	40	5		FEBBMM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1	ZINC000040945829	136120747	/nfs/dbraw/zinc/12/07/47/136120747.db2.gz	GCHBJFYCUHWYST-UHFFFAOYSA-N	-1	1	363.395	2.232	40	5		FEBBMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1	ZINC000004379902	539383942	/nfs/dbraw/zinc/38/39/42/539383942.db2.gz	MXHNDIYUPDFVRU-CVEARBPZSA-N	-1	1	368.345	2.431	40	5		FEBBMM
O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000223256576	548718294	/nfs/dbraw/zinc/71/82/94/548718294.db2.gz	WOLWUUMZPQHRCS-UHFFFAOYSA-N	-1	1	350.352	2.413	40	5		FEBBMM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)ccc1C	ZINC000408591655	558687677	/nfs/dbraw/zinc/68/76/77/558687677.db2.gz	IXUYJDZIZMEANT-UHFFFAOYSA-N	-1	1	363.395	2.372	40	5		FEBBMM
COC(=O)c1ccc(CS(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	ZINC000216438312	548677006	/nfs/dbraw/zinc/67/70/06/548677006.db2.gz	GUTZEXZBGDSPLL-UHFFFAOYSA-N	-1	1	350.352	2.323	40	5		FEBBMM
Cc1cc(=O)[n-]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1	ZINC000107639282	543274249	/nfs/dbraw/zinc/27/42/49/543274249.db2.gz	XEQQHDIRDVNXEA-UHFFFAOYSA-N	-1	1	354.775	2.371	40	5		FEBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-]	ZINC000017395845	220215999	/nfs/dbraw/zinc/21/59/99/220215999.db2.gz	WFQCQDFDHGESNT-UHFFFAOYSA-N	-1	1	363.395	2.406	40	5		FEBBMM
O=C(Oc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000408725064	518201628	/nfs/dbraw/zinc/20/16/28/518201628.db2.gz	NWAIUGQDRWCOGA-NTEUORMPSA-N	-1	1	369.358	2.159	40	5		FEBBMM
COC(=O)c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1C	ZINC000223799397	548724865	/nfs/dbraw/zinc/72/48/65/548724865.db2.gz	GEGGOAOUXOHREE-UHFFFAOYSA-N	-1	1	350.352	2.491	40	5		FEBBMM
CCOC(=O)C1=C([O-])C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1	ZINC000100257456	222240275	/nfs/dbraw/zinc/24/02/75/222240275.db2.gz	MXHNDIYUPDFVRU-HZPDHXFCSA-N	-1	1	368.345	2.431	40	5		FEBBMM