smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCSc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000521526310	858094304	/nfs/dbraw/zinc/09/43/04/858094304.db2.gz	IJQGAQCQKCISJC-UHFFFAOYSA-N	-2	1	388.854	3.867	20	5		GHBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c1C	ZINC000543163029	858691169	/nfs/dbraw/zinc/69/11/69/858691169.db2.gz	WLGYLUGQBZKAKB-LBPRGKRZSA-N	-2	1	392.433	3.591	20	5		GHBDML
Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc(C(=O)[O-])c1Cl	ZINC000766042822	862091900	/nfs/dbraw/zinc/09/19/00/862091900.db2.gz	NRCRHMJBHRERLS-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cccc1[N+](=O)[O-]	ZINC000537652719	882935137	/nfs/dbraw/zinc/93/51/37/882935137.db2.gz	BZPACDCBDCXVAF-UHFFFAOYSA-N	-2	1	378.406	3.526	20	5		GHBDML
Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cc(C(=O)[O-])c1C	ZINC000769630498	874176553	/nfs/dbraw/zinc/17/65/53/874176553.db2.gz	KCOFMDYHSIADHU-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c1C	ZINC000511297409	835088037	/nfs/dbraw/zinc/08/80/37/835088037.db2.gz	VEYBMEARDSPJAB-UHFFFAOYSA-N	-2	1	392.433	3.834	20	5		GHBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2oc(C(C)C)nc2c1	ZINC000535746238	844387300	/nfs/dbraw/zinc/38/73/00/844387300.db2.gz	ZHHJIWLWYPLVLZ-UHFFFAOYSA-N	-2	1	391.405	3.674	20	5		GHBDML
COc1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C2CC2)cc1Cl	ZINC000594465070	858198720	/nfs/dbraw/zinc/19/87/20/858198720.db2.gz	UOOYNOOLCSTGFB-UHFFFAOYSA-N	-2	1	398.824	3.641	20	5		GHBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C	ZINC000463433413	871733055	/nfs/dbraw/zinc/73/30/55/871733055.db2.gz	XELXAWMSKFAXDV-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc([N+](=O)[O-])c1	ZINC000833300285	600691082	/nfs/dbraw/zinc/69/10/82/600691082.db2.gz	AXJRKZRGXWUGOY-UHFFFAOYSA-N	-2	1	398.396	3.761	20	5		GHBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1	ZINC000811723382	889922566	/nfs/dbraw/zinc/92/25/66/889922566.db2.gz	LBHAWINWNOZRTF-UHFFFAOYSA-N	-2	1	398.824	3.618	20	5		GHBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000491855984	875989897	/nfs/dbraw/zinc/98/98/97/875989897.db2.gz	YXYBYUXPNRMTTO-NSHDSACASA-N	-2	1	392.433	3.591	20	5		GHBDML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c1C	ZINC000543163028	858691444	/nfs/dbraw/zinc/69/14/44/858691444.db2.gz	WLGYLUGQBZKAKB-GFCCVEGCSA-N	-2	1	392.433	3.591	20	5		GHBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1	ZINC000543165547	858721055	/nfs/dbraw/zinc/72/10/55/858721055.db2.gz	GTLIGCKPLQOUSD-NSHDSACASA-N	-2	1	392.433	3.591	20	5		GHBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C	ZINC000736419991	865202328	/nfs/dbraw/zinc/20/23/28/865202328.db2.gz	ABLKZNCXEPHYML-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc21	ZINC000109593490	841979468	/nfs/dbraw/zinc/97/94/68/841979468.db2.gz	HYENTKTZVUGBIS-UHFFFAOYSA-N	-2	1	389.433	3.712	20	5		GHBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1[O-]	ZINC000024101196	848056349	/nfs/dbraw/zinc/05/63/49/848056349.db2.gz	NNZOWHRJYRGIEQ-UHFFFAOYSA-N	-2	1	396.730	3.773	20	5		GHBDML
CCOc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc(Cl)c1[O-]	ZINC000546550203	867013639	/nfs/dbraw/zinc/01/36/39/867013639.db2.gz	ZYMVWQWYXYWMME-UHFFFAOYSA-N	-2	1	387.175	3.964	20	5		GHBDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000761901254	884950956	/nfs/dbraw/zinc/95/09/56/884950956.db2.gz	ROAZWDGBOBVXAO-UHFFFAOYSA-N	-2	1	398.824	3.618	20	5		GHBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C	ZINC000574008775	845053783	/nfs/dbraw/zinc/05/37/83/845053783.db2.gz	JFYPUAJDZHLQSW-UHFFFAOYSA-N	-2	1	398.824	3.618	20	5		GHBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c(C)c1[N+](=O)[O-]	ZINC000598585286	860432257	/nfs/dbraw/zinc/43/22/57/860432257.db2.gz	YQCUXHOKUISCQY-LBPRGKRZSA-N	-2	1	392.433	3.591	20	5		GHBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)c(F)c(Cl)c2)ccc1[O-]	ZINC000322859876	887642042	/nfs/dbraw/zinc/64/20/42/887642042.db2.gz	BNUYHNLJSFTUPT-UHFFFAOYSA-N	-2	1	381.168	3.547	20	5		GHBDML
COc1c(O)ccc2c(=O)c3c(O[C@H](C)COC(C)(C)C)cc([O-])cc3oc21	ZINC001234748683	1040274586	/nfs/dbraw/zinc/27/45/86/1040274586.db2.gz	IURJMQLKGOOFMV-LLVKDONJSA-N	-2	1	388.416	3.948	20	5		GHBDML
Cc1cc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc([N+](=O)[O-])c1C	ZINC000548267921	842343871	/nfs/dbraw/zinc/34/38/71/842343871.db2.gz	SWYZZYWIQPHWRY-GFCCVEGCSA-N	-2	1	392.433	3.591	20	5		GHBDML
COc1c(O)ccc2c(=O)c3c(O[C@H](C)C4CCOCC4)cc([O-])cc3oc21	ZINC001234749307	1040275198	/nfs/dbraw/zinc/27/51/98/1040275198.db2.gz	OIJJWLCMWTXLPD-LLVKDONJSA-N	-2	1	386.400	3.560	20	5		GHBDML
Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c(C)c1[N+](=O)[O-]	ZINC000598585282	860432402	/nfs/dbraw/zinc/43/24/02/860432402.db2.gz	YQCUXHOKUISCQY-GFCCVEGCSA-N	-2	1	392.433	3.591	20	5		GHBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)C(C)(C)C)cc1	ZINC000499275549	881857426	/nfs/dbraw/zinc/85/74/26/881857426.db2.gz	UYLLSAPQTPQFCS-UHFFFAOYSA-N	-2	1	392.433	3.638	20	5		GHBDML
O=C(Nc1c([O-])cc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1[O-]	ZINC000556850083	886353434	/nfs/dbraw/zinc/35/34/34/886353434.db2.gz	IVPAHHBNHCBFJX-UHFFFAOYSA-N	-2	1	387.573	3.674	20	5		GHBDML
C[C@@H]1c2cnccc2C[C@@H]1Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21	ZINC001234748807	1040275671	/nfs/dbraw/zinc/27/56/71/1040275671.db2.gz	LCRDKABBLGFRBI-QGHHPUGFSA-N	-2	1	391.379	3.565	20	5		GHBDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000547876962	837341615	/nfs/dbraw/zinc/34/16/15/837341615.db2.gz	HWZHAYMXMNOCIG-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
Cc1cc(Cl)c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c([N+](=O)[O-])c1	ZINC001167939253	844847904	/nfs/dbraw/zinc/84/79/04/844847904.db2.gz	RKCSZDVJTQBKJF-UHFFFAOYSA-N	-2	1	382.740	3.641	20	5		GHBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C	ZINC000582698100	848055622	/nfs/dbraw/zinc/05/56/22/848055622.db2.gz	ZMTBCDYSLNDCBQ-UHFFFAOYSA-N	-2	1	398.824	3.618	20	5		GHBDML
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000736420546	865202136	/nfs/dbraw/zinc/20/21/36/865202136.db2.gz	JLXLDQLPMODKEE-UHFFFAOYSA-N	-2	1	398.824	3.618	20	5		GHBDML
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C	ZINC000769631475	874178243	/nfs/dbraw/zinc/17/82/43/874178243.db2.gz	VCMKPTOEXSHDBI-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
CC(C)c1nc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2s1	ZINC000520017920	879193512	/nfs/dbraw/zinc/19/35/12/879193512.db2.gz	HFAZYFZCKBQRNM-UHFFFAOYSA-N	-2	1	393.446	3.834	20	5		GHBDML
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc([O-])cc(Br)c1	ZINC001152449292	1031248008	/nfs/dbraw/zinc/24/80/08/1031248008.db2.gz	VQOCVWJXGBBNIZ-UHFFFAOYSA-N	-2	1	387.573	3.674	20	5		GHBDML
Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cs1	ZINC000475835390	884829711	/nfs/dbraw/zinc/82/97/11/884829711.db2.gz	PXZQIUKHXJCTCS-UHFFFAOYSA-N	-2	1	391.430	3.533	20	5		GHBDML
Cc1ccc(S(=O)(=O)[N-]c2cc3cccnc3c3ncccc23)cc1C(=O)[O-]	ZINC001184697341	913363675	/nfs/dbraw/zinc/36/36/75/913363675.db2.gz	QCONVTHNTCJWAE-UHFFFAOYSA-N	-2	1	393.424	3.590	20	5		GHBDML
C[C@@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1ncccc1F	ZINC001234749541	1040273618	/nfs/dbraw/zinc/27/36/18/1040273618.db2.gz	AMOBFNCJEYGSEP-SECBINFHSA-N	-2	1	383.331	3.737	20	5		GHBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C	ZINC000511280942	834975892	/nfs/dbraw/zinc/97/58/92/834975892.db2.gz	PKFPWOSHFIGJLT-UHFFFAOYSA-N	-2	1	378.406	3.526	20	5		GHBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2SC(F)(F)F)ccc1[O-]	ZINC000915658040	887280008	/nfs/dbraw/zinc/28/00/08/887280008.db2.gz	HJQDTMCKLNILRO-UHFFFAOYSA-N	-2	1	394.352	3.713	20	5		GHBDML
Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)cc([N+](=O)[O-])c1C	ZINC000548267924	842343714	/nfs/dbraw/zinc/34/37/14/842343714.db2.gz	SWYZZYWIQPHWRY-LBPRGKRZSA-N	-2	1	392.433	3.591	20	5		GHBDML
CC(C)CCOc1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000520397206	881294783	/nfs/dbraw/zinc/29/47/83/881294783.db2.gz	SUWDOIWHGWZCTJ-UHFFFAOYSA-N	-2	1	380.422	3.526	20	5		GHBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c1	ZINC000542724952	855566129	/nfs/dbraw/zinc/56/61/29/855566129.db2.gz	SQEXEPRKUIJHEN-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
COc1c(O)ccc2c(=O)c3c(O[C@@H]4CCC(=O)CC4(C)C)cc([O-])cc3oc21	ZINC001234748828	1040274781	/nfs/dbraw/zinc/27/47/81/1040274781.db2.gz	LSIRDSGHGWCIEN-QGZVFWFLSA-N	-2	1	398.411	3.893	20	5		GHBDML
O=P([O-])([O-])C1(Nc2cc3cccnc3c3ncccc23)Cc2ccccc2C1	ZINC001167937260	844799227	/nfs/dbraw/zinc/79/92/27/844799227.db2.gz	BDNKXONNYHFEEB-UHFFFAOYSA-N	-2	1	391.367	3.868	20	5		GHBDML
Cc1c(Cl)cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000519993382	876575237	/nfs/dbraw/zinc/57/52/37/876575237.db2.gz	IWOWUSRGNKBVBY-UHFFFAOYSA-N	-2	1	377.205	3.716	20	5		GHBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(F)(F)F)c2)ccc1[O-]	ZINC000328418983	860132251	/nfs/dbraw/zinc/13/22/51/860132251.db2.gz	RWOVEVMCFVOFMT-UHFFFAOYSA-N	-2	1	396.730	3.773	20	5		GHBDML
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)c1C	ZINC000736421508	865202955	/nfs/dbraw/zinc/20/29/55/865202955.db2.gz	VFCUFXPMRSSYNR-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C	ZINC000753523309	929388059	/nfs/dbraw/zinc/38/80/59/929388059.db2.gz	XACJALINKWXQBL-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
CC(C)CCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001591269872	992186627	/nfs/dbraw/zinc/18/66/27/992186627.db2.gz	KWTVWKNNZFXARN-UHFFFAOYSA-N	-2	1	392.433	3.682	20	5		GHBDML
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000530648633	878238774	/nfs/dbraw/zinc/23/87/74/878238774.db2.gz	GQYGNFWXLLPIGO-UHFFFAOYSA-N	-2	1	398.824	3.618	20	5		GHBDML
Cc1nc(-c2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)cs1	ZINC000028809844	852099508	/nfs/dbraw/zinc/09/95/08/852099508.db2.gz	WVAAMISPGNTKKM-UHFFFAOYSA-N	-2	1	391.430	3.533	20	5		GHBDML
CC(C)(C)c1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c([N+](=O)[O-])c1	ZINC001167937115	844797788	/nfs/dbraw/zinc/79/77/88/844797788.db2.gz	RRXZPEDYEUEJSE-UHFFFAOYSA-N	-2	1	390.376	3.977	20	5		GHBDML
O=[N+]([O-])c1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c2ccccc21	ZINC001167938275	844829833	/nfs/dbraw/zinc/82/98/33/844829833.db2.gz	HXYKRMMGAVHTEW-UHFFFAOYSA-N	-2	1	384.328	3.833	20	5		GHBDML
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1	ZINC000543165546	858720770	/nfs/dbraw/zinc/72/07/70/858720770.db2.gz	GTLIGCKPLQOUSD-LLVKDONJSA-N	-2	1	392.433	3.591	20	5		GHBDML
CCSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2C)c1	ZINC000447398157	871533911	/nfs/dbraw/zinc/53/39/11/871533911.db2.gz	QLJVFCDDCWAARS-UHFFFAOYSA-N	-2	1	396.446	3.514	20	5		GHBDML
CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc(Cl)c1[O-]	ZINC000445407838	868391108	/nfs/dbraw/zinc/39/11/08/868391108.db2.gz	UKBAKCYXDWHRJX-UHFFFAOYSA-N	-2	1	377.740	3.775	20	5		GHBDML
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c([O-])c1	ZINC000770855342	874889056	/nfs/dbraw/zinc/88/90/56/874889056.db2.gz	CJWUHBVRHCRGID-UHFFFAOYSA-N	-2	1	389.364	3.605	20	5		GHBDML
Cc1ccc(S(=O)(=O)[N-]c2cc3ccccc3c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000751545836	928240956	/nfs/dbraw/zinc/24/09/56/928240956.db2.gz	GFQWMEPKTJTKFM-UHFFFAOYSA-N	-2	1	386.385	3.555	20	5		GHBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C	ZINC000463446710	871765383	/nfs/dbraw/zinc/76/53/83/871765383.db2.gz	XXHRFLIETJMBKI-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c([O-])c1	ZINC000776198232	875779501	/nfs/dbraw/zinc/77/95/01/875779501.db2.gz	XFCCFNGAAOUODS-UHFFFAOYSA-N	-2	1	389.364	3.605	20	5		GHBDML
CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2o1	ZINC000032097512	884211360	/nfs/dbraw/zinc/21/13/60/884211360.db2.gz	NENWZFWRUFHHBU-UHFFFAOYSA-N	-2	1	391.405	3.540	20	5		GHBDML
O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@H]3Cc4ccccc4O3)c12	ZINC001234749025	1040275401	/nfs/dbraw/zinc/27/54/01/1040275401.db2.gz	VVAJNWOKWLIEGE-CQSZACIVSA-N	-2	1	376.364	3.740	20	5		GHBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2-n2cccc2)ccc1[O-]	ZINC000517638368	838797208	/nfs/dbraw/zinc/79/72/08/838797208.db2.gz	QNMYRQTWMLOGMF-UHFFFAOYSA-N	-2	1	393.808	3.545	20	5		GHBDML
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1	ZINC000566888157	896667271	/nfs/dbraw/zinc/66/72/71/896667271.db2.gz	XDQGDMFQCYOCBD-UHFFFAOYSA-N	-2	1	398.824	3.618	20	5		GHBDML
Cc1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001157157415	1033437548	/nfs/dbraw/zinc/43/75/48/1033437548.db2.gz	WKTSIHXJBSWJCG-UHFFFAOYSA-N	-2	1	399.343	3.536	20	5		GHBDML
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(C(F)(F)F)cc1[O-]	ZINC001295613982	1045070894	/nfs/dbraw/zinc/07/08/94/1045070894.db2.gz	DVZWPNFFYVOLRT-UHFFFAOYSA-N	-2	1	376.674	3.931	20	5		GHBDML
CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000917717054	892424682	/nfs/dbraw/zinc/42/46/82/892424682.db2.gz	AYDPLLHQFQNTSO-UHFFFAOYSA-N	-2	1	398.824	3.871	20	5		GHBDML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3nc4ccccc4cc3c2)c1	ZINC001260189783	1045405273	/nfs/dbraw/zinc/40/52/73/1045405273.db2.gz	FXZMZVBYQPUGRM-UHFFFAOYSA-N	-2	1	378.409	3.887	20	5		GHBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1	ZINC000541305157	838860129	/nfs/dbraw/zinc/86/01/29/838860129.db2.gz	LFZISTJQHYYNGD-GFCCVEGCSA-N	-2	1	392.433	3.536	20	5		GHBDML
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc([O-])cc(C(F)(F)F)c1	ZINC000590444811	855423484	/nfs/dbraw/zinc/42/34/84/855423484.db2.gz	IEQLSKDWZIUJFW-UHFFFAOYSA-N	-2	1	376.674	3.931	20	5		GHBDML
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC001590492954	990093918	/nfs/dbraw/zinc/09/39/18/990093918.db2.gz	HBIQEBRHJVGMIR-UHFFFAOYSA-N	-2	1	396.396	3.530	20	5		GHBDML
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000491855978	875990130	/nfs/dbraw/zinc/99/01/30/875990130.db2.gz	YXYBYUXPNRMTTO-LLVKDONJSA-N	-2	1	392.433	3.591	20	5		GHBDML
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000783864776	931697516	/nfs/dbraw/zinc/69/75/16/931697516.db2.gz	XGSACLGHQVHEQQ-JTQLQIEISA-N	-2	1	398.824	3.627	20	5		GHBDML
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000919958606	881267443	/nfs/dbraw/zinc/26/74/43/881267443.db2.gz	CXQRYMRXMKLKRK-UHFFFAOYSA-N	-2	1	398.824	3.871	20	5		GHBDML
CCC(C)(C)OCc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000541792558	874281947	/nfs/dbraw/zinc/28/19/47/874281947.db2.gz	JFBXFJPVHXDMFZ-UHFFFAOYSA-N	-2	1	394.449	3.806	20	5		GHBDML
O=C(Nc1c([O-])cc(Br)cc1Cl)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000581362363	841165038	/nfs/dbraw/zinc/16/50/38/841165038.db2.gz	MIMAFBKVVGHWTL-UHFFFAOYSA-N	-2	1	387.573	3.674	20	5		GHBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C	ZINC000511293739	835065958	/nfs/dbraw/zinc/06/59/58/835065958.db2.gz	AQGNENQACLUUBO-UHFFFAOYSA-N	-2	1	378.406	3.526	20	5		GHBDML
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C	ZINC000491608825	875845272	/nfs/dbraw/zinc/84/52/72/875845272.db2.gz	BNJCHBSUMZPCBZ-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Oc3ccccc3)c2)ccc1[O-]	ZINC000069116993	879558450	/nfs/dbraw/zinc/55/84/50/879558450.db2.gz	PDDYVKUFATXLMC-UHFFFAOYSA-N	-2	1	386.385	3.894	20	5		GHBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2NC2CCCCC2)ccc1[O-]	ZINC000534289529	866476378	/nfs/dbraw/zinc/47/63/78/866476378.db2.gz	ZTOQWVPCCMGNRV-UHFFFAOYSA-N	-2	1	391.449	3.846	20	5		GHBDML
COc1c(O)ccc2c(=O)c3c(O[C@@H](C)COC(C)(C)C)cc([O-])cc3oc21	ZINC001234748685	1040275621	/nfs/dbraw/zinc/27/56/21/1040275621.db2.gz	IURJMQLKGOOFMV-NSHDSACASA-N	-2	1	388.416	3.948	20	5		GHBDML
CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000828770494	600688699	/nfs/dbraw/zinc/68/86/99/600688699.db2.gz	PGZACTAUPYMXMA-LLVKDONJSA-N	-2	1	378.406	3.607	20	5		GHBDML
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1	ZINC000479271075	847574206	/nfs/dbraw/zinc/57/42/06/847574206.db2.gz	OPGMZFHKBJKFLA-UHFFFAOYSA-N	-2	1	398.824	3.672	20	5		GHBDML
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000790086121	879454716	/nfs/dbraw/zinc/45/47/16/879454716.db2.gz	ZCWKBFNNQNPBJH-UHFFFAOYSA-N	-2	1	396.396	3.530	20	5		GHBDML
COc1c(O)ccc2c(=O)c3c(O[C@@H](C)C4CCOCC4)cc([O-])cc3oc21	ZINC001234749309	1040274865	/nfs/dbraw/zinc/27/48/65/1040274865.db2.gz	OIJJWLCMWTXLPD-NSHDSACASA-N	-2	1	386.400	3.560	20	5		GHBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Nc2ccccc2)ccc1[O-]	ZINC000440830177	868814244	/nfs/dbraw/zinc/81/42/44/868814244.db2.gz	XINJXUYTQYYUEF-UHFFFAOYSA-N	-2	1	385.401	3.845	20	5		GHBDML
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2ccccc2c(C(=O)[O-])c1	ZINC000751546543	928241406	/nfs/dbraw/zinc/24/14/06/928241406.db2.gz	OUHIIUZXLPQUFD-UHFFFAOYSA-N	-2	1	386.385	3.555	20	5		GHBDML
O=P([O-])([O-])C1(Nc2ccc3ccc4cccnc4c3n2)Cc2ccccc2C1	ZINC001157157413	1033437085	/nfs/dbraw/zinc/43/70/85/1033437085.db2.gz	WHIDCTQBYNNXNH-UHFFFAOYSA-N	-2	1	391.367	3.868	20	5		GHBDML
Cc1ccc2c(ccnc2NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1[N+](=O)[O-]	ZINC001167934927	844735132	/nfs/dbraw/zinc/73/51/32/844735132.db2.gz	XBXGXFVGQWNFLI-UHFFFAOYSA-N	-2	1	399.343	3.536	20	5		GHBDML
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000783864777	931697372	/nfs/dbraw/zinc/69/73/72/931697372.db2.gz	XGSACLGHQVHEQQ-SNVBAGLBSA-N	-2	1	398.824	3.627	20	5		GHBDML
O=c1c2cccc(O)c2oc2cc([O-])cc(OC[C@@H]3Cc4ccccc4O3)c12	ZINC001234749024	1040274396	/nfs/dbraw/zinc/27/43/96/1040274396.db2.gz	VVAJNWOKWLIEGE-AWEZNQCLSA-N	-2	1	376.364	3.740	20	5		GHBDML
CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000828770495	600688889	/nfs/dbraw/zinc/68/88/89/600688889.db2.gz	PGZACTAUPYMXMA-NSHDSACASA-N	-2	1	378.406	3.607	20	5		GHBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)sc3c2)ccc1[O-]	ZINC000069147950	893170799	/nfs/dbraw/zinc/17/07/99/893170799.db2.gz	GKBXCULIFSUJRD-UHFFFAOYSA-N	-2	1	391.430	3.588	20	5		GHBDML
Cc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cc1[N+](=O)[O-]	ZINC000511242323	834974954	/nfs/dbraw/zinc/97/49/54/834974954.db2.gz	MNASIBPBFGXNMS-UHFFFAOYSA-N	-2	1	378.406	3.526	20	5		GHBDML
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(C)C	ZINC000447346899	871450961	/nfs/dbraw/zinc/45/09/61/871450961.db2.gz	ZTWVLUMZWDAMHE-UHFFFAOYSA-N	-2	1	378.406	3.526	20	5		GHBDML
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2cccnc2c2ncccc12	ZINC001185909317	914168648	/nfs/dbraw/zinc/16/86/48/914168648.db2.gz	QQNQEMKILNJWNY-UHFFFAOYSA-N	-2	1	393.424	3.590	20	5		GHBDML
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1	ZINC000541305158	873326279	/nfs/dbraw/zinc/32/62/79/873326279.db2.gz	LFZISTJQHYYNGD-LBPRGKRZSA-N	-2	1	392.433	3.536	20	5		GHBDML
O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nc3ccccc3cc2c1	ZINC001198782957	874606619	/nfs/dbraw/zinc/60/66/19/874606619.db2.gz	SJXXODNINWWEGE-UHFFFAOYSA-N	-2	1	378.409	3.887	20	5		GHBDML
COc1c(O)ccc2c(=O)c3c(O[C@H]4CCC(=O)CC4(C)C)cc([O-])cc3oc21	ZINC001234748826	1040275476	/nfs/dbraw/zinc/27/54/76/1040275476.db2.gz	LSIRDSGHGWCIEN-KRWDZBQOSA-N	-2	1	398.411	3.893	20	5		GHBDML
O=[N+]([O-])/C=C/c1ccc(Cl)cc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001167939652	844855818	/nfs/dbraw/zinc/85/58/18/844855818.db2.gz	NULYODFGDCSSLP-BQYQJAHWSA-N	-2	1	394.751	3.672	20	5		GHBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)c1	ZINC000543664668	859291216	/nfs/dbraw/zinc/29/12/16/859291216.db2.gz	ZVJDOCFBXJPWOC-GFCCVEGCSA-N	-2	1	392.433	3.591	20	5		GHBDML
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1SC(F)F	ZINC000766309828	868816941	/nfs/dbraw/zinc/81/69/41/868816941.db2.gz	IJBJHOXFCDVQAA-UHFFFAOYSA-N	-2	1	390.389	3.724	20	5		GHBDML
CSc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000499158185	881335514	/nfs/dbraw/zinc/33/55/14/881335514.db2.gz	WMTRIFQITCMJCC-UHFFFAOYSA-N	-2	1	388.854	3.785	20	5		GHBDML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc2ccccc2c(C(=O)[O-])c1	ZINC001352066326	1064805202	/nfs/dbraw/zinc/80/52/02/1064805202.db2.gz	GGZBQSRJXDWOMP-UHFFFAOYSA-N	-2	1	386.385	3.555	20	5		GHBDML
O=[N+]([O-])c1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)cc2ccccc21	ZINC001167938784	844837769	/nfs/dbraw/zinc/83/77/69/844837769.db2.gz	NGHZJEOHNACZOA-UHFFFAOYSA-N	-2	1	384.328	3.833	20	5		GHBDML
Cc1cc(C)c([N+](=O)[O-])c(C)c1NC1(P(=O)([O-])[O-])Cc2ccccc2C1	ZINC001167935460	844742895	/nfs/dbraw/zinc/74/28/95/844742895.db2.gz	AEJMZBBRPBIOPG-UHFFFAOYSA-N	-2	1	376.349	3.605	20	5		GHBDML
Cc1cc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cc([N+](=O)[O-])c1F	ZINC000768265914	873197895	/nfs/dbraw/zinc/19/78/95/873197895.db2.gz	HTMHRSNRQRMZQV-UHFFFAOYSA-N	-2	1	396.396	3.665	20	5		GHBDML
C[C@H](Oc1c(O)ccc2c(=O)c3c(O)cc([O-])cc3oc21)c1ncccc1F	ZINC001234749542	1040274171	/nfs/dbraw/zinc/27/41/71/1040274171.db2.gz	AMOBFNCJEYGSEP-VIFPVBQESA-N	-2	1	383.331	3.737	20	5		GHBDML
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-]	ZINC000551117168	883311952	/nfs/dbraw/zinc/31/19/52/883311952.db2.gz	VQNPFHWDYODRBN-UHFFFAOYSA-N	-2	1	396.396	3.530	20	5		GHBDML
Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C	ZINC000777921721	934122703	/nfs/dbraw/zinc/12/27/03/934122703.db2.gz	DZQHXNXNKURJBC-UHFFFAOYSA-N	-2	1	396.396	3.665	20	5		GHBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(SC(F)(F)F)cc2)ccc1[O-]	ZINC001317952617	1054325422	/nfs/dbraw/zinc/32/54/22/1054325422.db2.gz	AFNVZHCPSOBUFU-UHFFFAOYSA-N	-2	1	394.352	3.713	20	5		GHBDML
Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2)n1	ZINC000102321038	834904810	/nfs/dbraw/zinc/90/48/10/834904810.db2.gz	UKYIXLDWKNAXCA-UHFFFAOYSA-N	-2	1	391.430	3.533	20	5		GHBDML
O=P([O-])([O-])C1(Nc2ncnc3cc4ccccc4cc32)Cc2ccccc2C1	ZINC001167934393	844717086	/nfs/dbraw/zinc/71/70/86/844717086.db2.gz	IPIMDVBZEHNCJR-UHFFFAOYSA-N	-2	1	391.367	3.868	20	5		GHBDML
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)ccc1[O-]	ZINC000025765976	863448795	/nfs/dbraw/zinc/44/87/95/863448795.db2.gz	YSMUKQZOJMZPPJ-UHFFFAOYSA-N	-2	1	376.415	3.830	20	5		GHBDML
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c1	ZINC000543664671	859291167	/nfs/dbraw/zinc/29/11/67/859291167.db2.gz	ZVJDOCFBXJPWOC-LBPRGKRZSA-N	-2	1	392.433	3.591	20	5		GHBDML
CCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cc1C(=O)[O-]	ZINC000769630413	874175356	/nfs/dbraw/zinc/17/53/56/874175356.db2.gz	ISAYPVGLXADMFH-UHFFFAOYSA-N	-2	1	398.824	3.618	20	5		GHBDML