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-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1C	ZINC000392669088	565565721	/nfs/dbraw/zinc/56/57/21/565565721.db2.gz	XKQQONYVVKYWFF-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1C	ZINC000548546839	567327138	/nfs/dbraw/zinc/32/71/38/567327138.db2.gz	ACCRCEIHDNNFRS-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1C	ZINC000327651710	565632259	/nfs/dbraw/zinc/63/22/59/565632259.db2.gz	DHSBHHQEDGHBRG-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
CC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1Cl	ZINC000542094824	566774987	/nfs/dbraw/zinc/77/49/87/566774987.db2.gz	VIBFWWOPAPJBCZ-UHFFFAOYSA-N	-2	1	384.797	3.266	10	5		GGBEML
Cc1sc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-]	ZINC000548220055	567292012	/nfs/dbraw/zinc/29/20/12/567292012.db2.gz	VRVKZJVNOMXHSV-UHFFFAOYSA-N	-2	1	376.799	3.117	10	5		GGBEML
O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000392599968	565565417	/nfs/dbraw/zinc/56/54/17/565565417.db2.gz	CYBCJVNLODZFRP-UHFFFAOYSA-N	-2	1	391.188	3.401	10	5		GGBEML
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc([N+](=O)[O-])c1C	ZINC000326728475	565626405	/nfs/dbraw/zinc/62/64/05/565626405.db2.gz	AJEGDEIBCXKEOD-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1C(=O)[O-]	ZINC000327275676	565629474	/nfs/dbraw/zinc/62/94/74/565629474.db2.gz	STEUXWRSAZQQFU-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000393031818	565567159	/nfs/dbraw/zinc/56/71/59/565567159.db2.gz	CVNYSTNXPPRMSN-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])cc([N+](=O)[O-])c1C	ZINC000327398664	565630380	/nfs/dbraw/zinc/63/03/80/565630380.db2.gz	JTMMIEYCRGFCOT-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1	ZINC000325034654	565620466	/nfs/dbraw/zinc/62/04/66/565620466.db2.gz	KIFAWSIMVRCTCI-UHFFFAOYSA-N	-2	1	391.188	3.401	10	5		GGBEML
O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000326886688	565626211	/nfs/dbraw/zinc/62/62/11/565626211.db2.gz	FADRFISVVCYJBE-UHFFFAOYSA-N	-2	1	391.188	3.401	10	5		GGBEML
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1[N+](=O)[O-]	ZINC000578709459	566547556	/nfs/dbraw/zinc/54/75/56/566547556.db2.gz	AUBIOOSXFWCWJM-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1	ZINC000131419014	564711269	/nfs/dbraw/zinc/71/12/69/564711269.db2.gz	VHAPNFMBABLYTJ-UHFFFAOYSA-N	-2	1	391.174	3.003	10	5		GGBEML
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-]	ZINC000327804561	565633220	/nfs/dbraw/zinc/63/32/20/565633220.db2.gz	VDYVTLKDKYIESX-UHFFFAOYSA-N	-2	1	388.760	3.195	10	5		GGBEML
Cc1sc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000565296827	567055836	/nfs/dbraw/zinc/05/58/36/567055836.db2.gz	HSNAEGFIMWPQJR-UHFFFAOYSA-N	-2	1	376.799	3.117	10	5		GGBEML
Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000507568465	567685921	/nfs/dbraw/zinc/68/59/21/567685921.db2.gz	UDWCVYJIUVHVDG-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1C	ZINC000392266333	565564391	/nfs/dbraw/zinc/56/43/91/565564391.db2.gz	XBDHWSMMSWWUQK-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
Cc1ccc(C)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1[N+](=O)[O-]	ZINC000558735953	566503440	/nfs/dbraw/zinc/50/34/40/566503440.db2.gz	QGOQQHPWWHWFLN-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1C	ZINC000548526090	567321895	/nfs/dbraw/zinc/32/18/95/567321895.db2.gz	VQDLWYMINOKPSS-UHFFFAOYSA-N	-2	1	384.797	3.364	10	5		GGBEML
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1ccc(F)c(Cl)c1	ZINC000548197103	567288724	/nfs/dbraw/zinc/28/87/24/567288724.db2.gz	RUUFNRVBDHDQGJ-UHFFFAOYSA-N	-2	1	388.760	3.027	10	5		GGBEML
COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C(=O)[O-])c1	ZINC000170595122	570852191	/nfs/dbraw/zinc/85/21/91/570852191.db2.gz	ILGDUKGEMAEVDJ-UHFFFAOYSA-N	-2	1	394.405	3.028	10	5		GGBEML