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(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc(Cl)c1Cl	ZINC000485083978	566473234	/nfs/dbraw/zinc/47/32/34/566473234.db2.gz	GBEYORIPJXJCCU-UHFFFAOYSA-N	-1	2	397.217	3.462	10	5		GGBELM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1C	ZINC000547865977	567252638	/nfs/dbraw/zinc/25/26/38/567252638.db2.gz	DBWOWJGBZGRVJM-UHFFFAOYSA-N	-1	2	384.797	3.364	10	5		GGBELM
C[C@@H](Sc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1)C(=O)[O-]	ZINC000504672993	567542683	/nfs/dbraw/zinc/54/26/83/567542683.db2.gz	IEQRHYSGBGQIQP-MRVPVSSYSA-N	-1	2	388.448	3.022	10	5		GGBELM
O=C([O-])c1c(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cccc1[N+](=O)[O-]	ZINC000578587272	566536063	/nfs/dbraw/zinc/53/60/63/566536063.db2.gz	IFAPFFLBYVQWNM-UHFFFAOYSA-N	-1	2	396.324	3.174	10	5		GGBELM
Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548531723	567323452	/nfs/dbraw/zinc/32/34/52/567323452.db2.gz	UPUOFOJNUSWPND-UHFFFAOYSA-N	-1	2	384.797	3.364	10	5		GGBELM
O=C([O-])c1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-]	ZINC000548547350	567327225	/nfs/dbraw/zinc/32/72/25/567327225.db2.gz	ALKYKSDZHSOUIL-UHFFFAOYSA-N	-1	2	391.188	3.401	10	5		GGBELM
O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000324876016	565620572	/nfs/dbraw/zinc/62/05/72/565620572.db2.gz	CUVQTADKOVCBSP-UHFFFAOYSA-N	-1	2	391.188	3.401	10	5		GGBELM
O=C([O-])c1cc(S(=O)(=O)Nc2csc3ccccc23)ccc1[N+](=O)[O-]	ZINC000484229266	566420142	/nfs/dbraw/zinc/42/01/42/566420142.db2.gz	FOJYZTQMGBCMGE-UHFFFAOYSA-N	-1	2	378.387	3.309	10	5		GGBELM
CC[C@@H](Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1)C(=O)[O-]	ZINC000463786308	566433588	/nfs/dbraw/zinc/43/35/88/566433588.db2.gz	YPLPKUCUIJPNCG-NSHDSACASA-N	-1	2	384.435	3.110	10	5		GGBELM
O=C([O-])c1c(NS(=O)(=O)c2c(Cl)cccc2Cl)cccc1[N+](=O)[O-]	ZINC000548549772	567327264	/nfs/dbraw/zinc/32/72/64/567327264.db2.gz	QKPBMCNKARNUDD-UHFFFAOYSA-N	-1	2	391.188	3.401	10	5		GGBELM
O=C([O-])c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Cl)c1Cl	ZINC000485035961	566470742	/nfs/dbraw/zinc/47/07/42/566470742.db2.gz	RBIBHQQHSSYKAY-UHFFFAOYSA-N	-1	2	391.188	3.401	10	5		GGBELM
Cc1sc(S(=O)(=O)Nc2ccccc2CCCC(=O)[O-])cc1[N+](=O)[O-]	ZINC000541929874	566761049	/nfs/dbraw/zinc/76/10/49/566761049.db2.gz	ZKNBCQPXBBLQJV-UHFFFAOYSA-N	-1	2	384.435	3.173	10	5		GGBELM
Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000548209979	567290370	/nfs/dbraw/zinc/29/03/70/567290370.db2.gz	XAVZEFXDFVSSQR-UHFFFAOYSA-N	-1	2	388.760	3.195	10	5		GGBELM
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2csc3ccccc23)c1	ZINC000484032747	566413540	/nfs/dbraw/zinc/41/35/40/566413540.db2.gz	IXKDBACIOSIPGE-UHFFFAOYSA-N	-1	2	378.387	3.309	10	5		GGBELM
O=C([O-])c1c(NS(=O)(=O)c2csc3ccccc32)cccc1[N+](=O)[O-]	ZINC000560416959	566623553	/nfs/dbraw/zinc/62/35/53/566623553.db2.gz	DSFLMVFLCRNOFD-UHFFFAOYSA-N	-1	2	378.387	3.309	10	5		GGBELM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(F)(F)F)s1	ZINC000583845954	566988697	/nfs/dbraw/zinc/98/86/97/566988697.db2.gz	ABTQWJRNVUMOCK-UHFFFAOYSA-N	-1	2	396.324	3.174	10	5		GGBELM
Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])sc1Cl	ZINC000616035040	567221888	/nfs/dbraw/zinc/22/18/88/567221888.db2.gz	LBIWDRYMQPRHFZ-UHFFFAOYSA-N	-1	2	376.799	3.117	10	5		GGBELM
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c1[N+](=O)[O-]	ZINC000567161967	567223637	/nfs/dbraw/zinc/22/36/37/567223637.db2.gz	OGQIFVHVPDVOJQ-UHFFFAOYSA-N	-1	2	384.797	3.364	10	5		GGBELM
C[C@H](Sc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1)C(=O)[O-]	ZINC000504672994	567543292	/nfs/dbraw/zinc/54/32/92/567543292.db2.gz	IEQRHYSGBGQIQP-QMMMGPOBSA-N	-1	2	388.448	3.022	10	5		GGBELM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1csc2ccccc21	ZINC000551996699	567549504	/nfs/dbraw/zinc/54/95/04/567549504.db2.gz	IKWZEDOPJSVCSL-UHFFFAOYSA-N	-1	2	378.387	3.309	10	5		GGBELM
O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000324956335	565619988	/nfs/dbraw/zinc/61/99/88/565619988.db2.gz	VRAQYAIHIGORSG-UHFFFAOYSA-N	-1	2	391.188	3.401	10	5		GGBELM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1C(F)(F)F	ZINC000484935842	566465323	/nfs/dbraw/zinc/46/53/23/566465323.db2.gz	KMNURTDJJFWUIP-UHFFFAOYSA-N	-1	2	396.324	3.174	10	5		GGBELM
Cc1sc(S(=O)(=O)Nc2c(C)c(Cl)ccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000614326083	567103864	/nfs/dbraw/zinc/10/38/64/567103864.db2.gz	SOJMMWCAHRSBKN-UHFFFAOYSA-N	-1	2	390.826	3.426	10	5		GGBELM
CC(C)(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1[N+](=O)[O-]	ZINC000573465746	567715467	/nfs/dbraw/zinc/71/54/67/567715467.db2.gz	LZERBLMBGQVQTN-UHFFFAOYSA-N	-1	2	384.435	3.453	10	5		GGBELM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)sc1Cl	ZINC000320824938	565604621	/nfs/dbraw/zinc/60/46/21/565604621.db2.gz	CULFWOVOGNGXLZ-UHFFFAOYSA-N	-1	2	397.217	3.462	10	5		GGBELM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c(C)c(Cl)ccc1C(=O)[O-]	ZINC000604307301	566560231	/nfs/dbraw/zinc/56/02/31/566560231.db2.gz	PWVRHCIVHZUOGZ-UHFFFAOYSA-N	-1	2	384.797	3.364	10	5		GGBELM
Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000604307287	566561374	/nfs/dbraw/zinc/56/13/74/566561374.db2.gz	HQUAOYDWCOAKLR-UHFFFAOYSA-N	-1	2	388.760	3.195	10	5		GGBELM
CC[C@H](Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1)C(=O)[O-]	ZINC000463786307	566432920	/nfs/dbraw/zinc/43/29/20/566432920.db2.gz	YPLPKUCUIJPNCG-LLVKDONJSA-N	-1	2	384.435	3.110	10	5		GGBELM
O=C([O-])c1c(NS(=O)(=O)c2cccc(Cl)c2Cl)cccc1[N+](=O)[O-]	ZINC000548214867	567291853	/nfs/dbraw/zinc/29/18/53/567291853.db2.gz	XXPXJOYYCLTOJV-UHFFFAOYSA-N	-1	2	391.188	3.401	10	5		GGBELM