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-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C	ZINC000484973143	974222767	/nfs/dbraw/zinc/22/27/67/974222767.db2.gz	JOGIGMUTNGASAR-UHFFFAOYSA-N	-1	2	394.405	3.189	20	5		GGBDLM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000542731669	974416563	/nfs/dbraw/zinc/41/65/63/974416563.db2.gz	WJXSKRLBGLQTTI-UHFFFAOYSA-N	-1	2	390.295	3.113	20	5		GGBDLM
O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1	ZINC000821115848	978925945	/nfs/dbraw/zinc/92/59/45/978925945.db2.gz	DJWPQZZQRIXBPX-UHFFFAOYSA-N	-1	2	391.188	3.401	20	5		GGBDLM
CCCCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001595781067	982558639	/nfs/dbraw/zinc/55/86/39/982558639.db2.gz	PGMRSZUPDHKGQN-UHFFFAOYSA-N	-1	2	394.405	3.273	20	5		GGBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(=O)[O-]	ZINC001599345910	998006090	/nfs/dbraw/zinc/00/60/90/998006090.db2.gz	SWSRSLVDGHOOCH-UHFFFAOYSA-N	-1	2	394.405	3.226	20	5		GGBDLM
O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1	ZINC000484546738	566436125	/nfs/dbraw/zinc/43/61/25/566436125.db2.gz	YRLXRBMMINPTRV-UHFFFAOYSA-N	-1	2	391.188	3.401	20	5		GGBDLM
O=C([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc([N+](=O)[O-])c1	ZINC000485226822	566485007	/nfs/dbraw/zinc/48/50/07/566485007.db2.gz	DRXOSIPLQOCBOR-UHFFFAOYSA-N	-1	2	391.188	3.401	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000466959882	566610119	/nfs/dbraw/zinc/61/01/19/566610119.db2.gz	OVQPCKYQMXESIR-UHFFFAOYSA-N	-1	2	390.826	3.426	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000466964376	566611747	/nfs/dbraw/zinc/61/17/47/566611747.db2.gz	OTWQRWDLEZYIFE-VIFPVBQESA-N	-1	2	384.435	3.344	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000466966817	566612319	/nfs/dbraw/zinc/61/23/19/566612319.db2.gz	VRUZOGYNXKYOGF-SECBINFHSA-N	-1	2	384.435	3.029	20	5		GGBDLM
CCc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000496069797	567070277	/nfs/dbraw/zinc/07/02/77/567070277.db2.gz	IOBPFTGBAOOCMD-UHFFFAOYSA-N	-1	2	384.797	3.310	20	5		GGBDLM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc([N+](=O)[O-])c1	ZINC000461334971	567729718	/nfs/dbraw/zinc/72/97/18/567729718.db2.gz	RWSQJIDPJXLHEQ-UHFFFAOYSA-N	-1	2	396.324	3.174	20	5		GGBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000738396320	601047755	/nfs/dbraw/zinc/04/77/55/601047755.db2.gz	CBUOUNBERYVXFO-UHFFFAOYSA-N	-1	2	387.320	3.072	20	5		GGBDLM
Cc1cc(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)ccc1[N+](=O)[O-]	ZINC000832904644	601362676	/nfs/dbraw/zinc/36/26/76/601362676.db2.gz	WODXBTGWLZMKNO-UHFFFAOYSA-N	-1	2	399.450	3.156	20	5		GGBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1	ZINC000832975567	601363343	/nfs/dbraw/zinc/36/33/43/601363343.db2.gz	CZWCOKLTENCWHN-UHFFFAOYSA-N	-1	2	399.450	3.156	20	5		GGBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1F	ZINC000760343105	602113996	/nfs/dbraw/zinc/11/39/96/602113996.db2.gz	BFBDJOMFZPYLMB-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
Cc1cc(Cl)c(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1[N+](=O)[O-]	ZINC000832885941	602117696	/nfs/dbraw/zinc/11/76/96/602117696.db2.gz	SBIDRFDQBLEBGL-UHFFFAOYSA-N	-1	2	376.799	3.117	20	5		GGBDLM
Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000769629809	978742377	/nfs/dbraw/zinc/74/23/77/978742377.db2.gz	GHDMYNQPLMNDHS-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
COc1cc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(C)c1C	ZINC001599392451	997063039	/nfs/dbraw/zinc/06/30/39/997063039.db2.gz	SRRMJENXWGVTSC-UHFFFAOYSA-N	-1	2	394.405	3.028	20	5		GGBDLM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1Cl	ZINC000324909309	565619829	/nfs/dbraw/zinc/61/98/29/565619829.db2.gz	XBIDBORMYGUXFU-UHFFFAOYSA-N	-1	2	391.188	3.401	20	5		GGBDLM
O=C([O-])c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc([N+](=O)[O-])c1	ZINC000484543903	566435721	/nfs/dbraw/zinc/43/57/21/566435721.db2.gz	JUMQYMAOGGXYJQ-UHFFFAOYSA-N	-1	2	391.188	3.401	20	5		GGBDLM
O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1	ZINC000484583781	566437681	/nfs/dbraw/zinc/43/76/81/566437681.db2.gz	MPDBIDMWEJQNOI-UHFFFAOYSA-N	-1	2	391.188	3.401	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000466972074	566611909	/nfs/dbraw/zinc/61/19/09/566611909.db2.gz	BUEVWOQSNUQNGS-UHFFFAOYSA-N	-1	2	376.799	3.117	20	5		GGBDLM
Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)sc1Cl	ZINC000473440370	567081710	/nfs/dbraw/zinc/08/17/10/567081710.db2.gz	CLJPJHCTGGOWRI-UHFFFAOYSA-N	-1	2	376.799	3.117	20	5		GGBDLM
Cc1cc(C)c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000523185893	567145895	/nfs/dbraw/zinc/14/58/95/567145895.db2.gz	DOPMLJBOBJVAFF-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(F)cc1[N+](=O)[O-]	ZINC000590598095	567234117	/nfs/dbraw/zinc/23/41/17/567234117.db2.gz	CKSNHDVQTBNRAJ-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000548533694	567322704	/nfs/dbraw/zinc/32/27/04/567322704.db2.gz	FWRMMMZLYPYPQX-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000531433075	567659006	/nfs/dbraw/zinc/65/90/06/567659006.db2.gz	CLDBZNXBALAGMX-UHFFFAOYSA-N	-1	2	384.797	3.310	20	5		GGBDLM
Cc1cc(F)c(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000738396398	601050108	/nfs/dbraw/zinc/05/01/08/601050108.db2.gz	FBBXSIVMONXLQE-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1F	ZINC000754955293	601630150	/nfs/dbraw/zinc/63/01/50/601630150.db2.gz	YCGKDPZQCXMARH-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000753067148	601782214	/nfs/dbraw/zinc/78/22/14/601782214.db2.gz	XSQNXHZWCYBJCS-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c1F	ZINC000760360538	602113862	/nfs/dbraw/zinc/11/38/62/602113862.db2.gz	KDMGQIUUUQGIMW-UHFFFAOYSA-N	-1	2	396.396	3.205	20	5		GGBDLM
C[C@H](Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)[O-]	ZINC000543663712	974418860	/nfs/dbraw/zinc/41/88/60/974418860.db2.gz	RBEKPWBSBHWPNU-SNVBAGLBSA-N	-1	2	398.824	3.312	20	5		GGBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1F	ZINC000758171691	978704816	/nfs/dbraw/zinc/70/48/16/978704816.db2.gz	YPXYHATUKPYOCP-NSHDSACASA-N	-1	2	396.396	3.106	20	5		GGBDLM
CCCOc1cc(F)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001595951562	983123689	/nfs/dbraw/zinc/12/36/89/983123689.db2.gz	CTVMWMIEABWTRR-UHFFFAOYSA-N	-1	2	398.368	3.022	20	5		GGBDLM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl	ZINC000324369475	565617827	/nfs/dbraw/zinc/61/78/27/565617827.db2.gz	JFZWFFDXSIMPGR-UHFFFAOYSA-N	-1	2	391.188	3.401	20	5		GGBDLM
Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000484804121	566456350	/nfs/dbraw/zinc/45/63/50/566456350.db2.gz	HMHAVMKFZIKBHA-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)s1	ZINC000485242391	566486170	/nfs/dbraw/zinc/48/61/70/566486170.db2.gz	ZBERDOVQKGEZFJ-UHFFFAOYSA-N	-1	2	384.435	3.453	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000466957601	566610725	/nfs/dbraw/zinc/61/07/25/566610725.db2.gz	KCICZEINBBYCPY-UHFFFAOYSA-N	-1	2	376.799	3.117	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000466966818	566612353	/nfs/dbraw/zinc/61/23/53/566612353.db2.gz	VRUZOGYNXKYOGF-VIFPVBQESA-N	-1	2	384.435	3.029	20	5		GGBDLM
O=C([O-])c1cc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc([N+](=O)[O-])c1	ZINC000580563711	566704158	/nfs/dbraw/zinc/70/41/58/566704158.db2.gz	KYWLCHBCJUFEOZ-UHFFFAOYSA-N	-1	2	392.723	3.025	20	5		GGBDLM
CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000530718555	567620950	/nfs/dbraw/zinc/62/09/50/567620950.db2.gz	YQLNKWPNWLPUEP-UHFFFAOYSA-N	-1	2	384.797	3.310	20	5		GGBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c1F	ZINC000832905445	602113193	/nfs/dbraw/zinc/11/31/93/602113193.db2.gz	LOJFMVFFPKAVTD-UHFFFAOYSA-N	-1	2	387.320	3.072	20	5		GGBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N(C)C(=O)[O-])cc2)c1C	ZINC000832957813	602197036	/nfs/dbraw/zinc/19/70/36/602197036.db2.gz	MLWHJRMGYJBQRM-UHFFFAOYSA-N	-1	2	379.394	3.127	20	5		GGBDLM
CC(C)(C)Cc1csc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])n1	ZINC000833429900	605138438	/nfs/dbraw/zinc/13/84/38/605138438.db2.gz	ABNXBWZUTJKYIP-UHFFFAOYSA-N	-1	2	399.450	3.139	20	5		GGBDLM
CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1	ZINC000833449546	605326666	/nfs/dbraw/zinc/32/66/66/605326666.db2.gz	XUBDDYCMSYHNIN-UHFFFAOYSA-N	-1	2	394.405	3.097	20	5		GGBDLM
CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833651930	605330711	/nfs/dbraw/zinc/33/07/11/605330711.db2.gz	HUWXLUJTWVFQRJ-UHFFFAOYSA-N	-1	2	398.368	3.022	20	5		GGBDLM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnoc1-c1ccccc1	ZINC000182482137	1430475142	/nfs/dbraw/zinc/47/51/42/1430475142.db2.gz	PFIOXPMKWGJHLQ-UHFFFAOYSA-N	-1	2	375.362	3.065	20	5		GGBDLM
O=C([O-])c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000776434237	978748313	/nfs/dbraw/zinc/74/83/13/978748313.db2.gz	AXPVMKDCMCUUGM-UHFFFAOYSA-N	-1	2	396.324	3.174	20	5		GGBDLM
Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	ZINC000795290373	978832002	/nfs/dbraw/zinc/83/20/02/978832002.db2.gz	OOLGSFKDLUCCAG-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
CN(Cc1nc(=O)c2sccc2[nH]1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001598538684	992872604	/nfs/dbraw/zinc/87/26/04/992872604.db2.gz	XSIHRLMZPOISPT-UHFFFAOYSA-N	-1	2	394.796	3.293	20	5		GGBDLM
O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000392874761	565566889	/nfs/dbraw/zinc/56/68/89/565566889.db2.gz	RXYXQKIMTZYZJT-UHFFFAOYSA-N	-1	2	392.723	3.025	20	5		GGBDLM
Cc1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)[O-])c1	ZINC000327647320	565632109	/nfs/dbraw/zinc/63/21/09/565632109.db2.gz	USIDPHKKVIQZGO-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)[O-])c1	ZINC000327685747	565632188	/nfs/dbraw/zinc/63/21/88/565632188.db2.gz	GQUQZRCNCUWYKQ-UHFFFAOYSA-N	-1	2	384.797	3.310	20	5		GGBDLM
O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])cc1	ZINC000484602639	566438774	/nfs/dbraw/zinc/43/87/74/566438774.db2.gz	NMJWEJWBLRXFPT-UHFFFAOYSA-N	-1	2	391.188	3.401	20	5		GGBDLM
O=C([O-])c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc([N+](=O)[O-])c1	ZINC000485235729	566486304	/nfs/dbraw/zinc/48/63/04/566486304.db2.gz	USYGKVAPIYRLOM-UHFFFAOYSA-N	-1	2	397.217	3.462	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000466964375	566611727	/nfs/dbraw/zinc/61/17/27/566611727.db2.gz	OTWQRWDLEZYIFE-SECBINFHSA-N	-1	2	384.435	3.344	20	5		GGBDLM
O=C([O-])c1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-]	ZINC000543661062	566897955	/nfs/dbraw/zinc/89/79/55/566897955.db2.gz	BVADUJKWTOIONE-UHFFFAOYSA-N	-1	2	391.188	3.401	20	5		GGBDLM
O=C([O-])c1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1Cl	ZINC000520037949	566982552	/nfs/dbraw/zinc/98/25/52/566982552.db2.gz	RCCKTDOVOJBDEZ-UHFFFAOYSA-N	-1	2	391.188	3.401	20	5		GGBDLM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2csc(-c3ccccc3)n2)ccc1[O-]	ZINC000586750225	567093533	/nfs/dbraw/zinc/09/35/33/567093533.db2.gz	OSECAJOWHPWVBJ-UHFFFAOYSA-N	-1	2	377.403	3.225	20	5		GGBDLM
Cc1ccc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000475741170	567271461	/nfs/dbraw/zinc/27/14/61/567271461.db2.gz	FYJYVFKEUQFGSH-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1[N+](=O)[O-]	ZINC000479198512	567513932	/nfs/dbraw/zinc/51/39/32/567513932.db2.gz	XMTTVSAZZMUUAV-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000530955880	567633280	/nfs/dbraw/zinc/63/32/80/567633280.db2.gz	YUKXSSVXAGJSRD-UHFFFAOYSA-N	-1	2	384.797	3.310	20	5		GGBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c1C	ZINC000481574130	567689371	/nfs/dbraw/zinc/68/93/71/567689371.db2.gz	SRYQOLRMZZMAFG-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(F)cc1F	ZINC000740089962	600229898	/nfs/dbraw/zinc/22/98/98/600229898.db2.gz	QCLRFLLOKDCAOR-UHFFFAOYSA-N	-1	2	392.723	3.025	20	5		GGBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000736419187	600246058	/nfs/dbraw/zinc/24/60/58/600246058.db2.gz	PZOMSXCKXYLPJF-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000738396783	601049860	/nfs/dbraw/zinc/04/98/60/601049860.db2.gz	JUESRLWJOFUVJF-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1	ZINC000832856374	601362946	/nfs/dbraw/zinc/36/29/46/601362946.db2.gz	RSLDSJJGVHXRDH-UHFFFAOYSA-N	-1	2	399.450	3.156	20	5		GGBDLM
Cc1cc(Cl)c(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000832885823	601782916	/nfs/dbraw/zinc/78/29/16/601782916.db2.gz	MBGWTTLJQHAWAD-UHFFFAOYSA-N	-1	2	376.799	3.117	20	5		GGBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c1F	ZINC000832905865	602115260	/nfs/dbraw/zinc/11/52/60/602115260.db2.gz	XNRSEJRCWZYUJI-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c([N+](=O)[O-])c1	ZINC000833663560	605205124	/nfs/dbraw/zinc/20/51/24/605205124.db2.gz	XLCTVMMNFQJIIG-UHFFFAOYSA-N	-1	2	394.405	3.109	20	5		GGBDLM
CCCOc1cc(C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833652118	605327339	/nfs/dbraw/zinc/32/73/39/605327339.db2.gz	LRHHRBYOGRQNGA-UHFFFAOYSA-N	-1	2	394.405	3.191	20	5		GGBDLM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C	ZINC000410398174	973927086	/nfs/dbraw/zinc/92/70/86/973927086.db2.gz	OKWQARNAAJAATF-UHFFFAOYSA-N	-1	2	394.405	3.189	20	5		GGBDLM
Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)ccc1[N+](=O)[O-]	ZINC000410402888	973929580	/nfs/dbraw/zinc/92/95/80/973929580.db2.gz	QMPPEOODBGSVPA-UHFFFAOYSA-N	-1	2	394.405	3.189	20	5		GGBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1F	ZINC000758171690	978704593	/nfs/dbraw/zinc/70/45/93/978704593.db2.gz	YPXYHATUKPYOCP-LLVKDONJSA-N	-1	2	396.396	3.106	20	5		GGBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000758170201	978704620	/nfs/dbraw/zinc/70/46/20/978704620.db2.gz	OURAKHWHTFALRY-NSHDSACASA-N	-1	2	396.396	3.106	20	5		GGBDLM
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1	ZINC000783817173	978793875	/nfs/dbraw/zinc/79/38/75/978793875.db2.gz	XKRKEXRDVWEQLF-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
CC(C)(C)Oc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC001590422777	989971706	/nfs/dbraw/zinc/97/17/06/989971706.db2.gz	WYEYEMTVEDEWSU-UHFFFAOYSA-N	-1	2	394.405	3.271	20	5		GGBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])cc1C	ZINC000393056951	565566814	/nfs/dbraw/zinc/56/68/14/565566814.db2.gz	OIWDFMCACSUFLX-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cc1C	ZINC000327291274	565629596	/nfs/dbraw/zinc/62/95/96/565629596.db2.gz	KAHBGSWPOZCISX-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000541801272	566749674	/nfs/dbraw/zinc/74/96/74/566749674.db2.gz	JMCNVJZIRUIQQC-UHFFFAOYSA-N	-1	2	391.188	3.401	20	5		GGBDLM
O=C([O-])Nc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F	ZINC000740013429	600101651	/nfs/dbraw/zinc/10/16/51/600101651.db2.gz	UZYKIZDHOHISEH-UHFFFAOYSA-N	-1	2	389.748	3.278	20	5		GGBDLM
Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000738399577	600245510	/nfs/dbraw/zinc/24/55/10/600245510.db2.gz	OQIWZQJEWUFQLY-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
CN(Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)[O-]	ZINC000737487011	600300790	/nfs/dbraw/zinc/30/07/90/600300790.db2.gz	ZQOYRHHYTCILCH-UHFFFAOYSA-N	-1	2	399.812	3.159	20	5		GGBDLM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1	ZINC000832959072	601363360	/nfs/dbraw/zinc/36/33/60/601363360.db2.gz	YQRDXWFAXCDIOQ-UHFFFAOYSA-N	-1	2	399.450	3.156	20	5		GGBDLM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C	ZINC000410400458	973928276	/nfs/dbraw/zinc/92/82/76/973928276.db2.gz	IKMBKVVIXUKSRN-UHFFFAOYSA-N	-1	2	394.405	3.189	20	5		GGBDLM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C	ZINC000484979686	974222932	/nfs/dbraw/zinc/22/29/32/974222932.db2.gz	KNGMVDHMPGZAOK-UHFFFAOYSA-N	-1	2	394.405	3.189	20	5		GGBDLM
CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC001591755904	975823269	/nfs/dbraw/zinc/82/32/69/975823269.db2.gz	VWIQEVGQVYSIJT-UHFFFAOYSA-N	-1	2	398.368	3.020	20	5		GGBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000758170199	978704505	/nfs/dbraw/zinc/70/45/05/978704505.db2.gz	OURAKHWHTFALRY-LLVKDONJSA-N	-1	2	396.396	3.106	20	5		GGBDLM
O=C([O-])c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)ccc1F	ZINC000795287192	978831908	/nfs/dbraw/zinc/83/19/08/978831908.db2.gz	JJDVSSQLBYWGRP-UHFFFAOYSA-N	-1	2	392.723	3.025	20	5		GGBDLM
Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)ccc1C(=O)[O-]	ZINC000798246657	978834732	/nfs/dbraw/zinc/83/47/32/978834732.db2.gz	DLVBKCBEVHIAKQ-UHFFFAOYSA-N	-1	2	388.760	3.195	20	5		GGBDLM
CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-]	ZINC000509540909	566314531	/nfs/dbraw/zinc/31/45/31/566314531.db2.gz	QNCSRAPYSOLRLX-UHFFFAOYSA-N	-1	2	382.419	3.124	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000466965324	566612033	/nfs/dbraw/zinc/61/20/33/566612033.db2.gz	AQVHITHGVJZIJR-UHFFFAOYSA-N	-1	2	384.435	3.128	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000466971199	566612221	/nfs/dbraw/zinc/61/22/21/566612221.db2.gz	NMVOIWZUSBPFKO-UHFFFAOYSA-N	-1	2	384.435	3.173	20	5		GGBDLM
CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000466965826	566612297	/nfs/dbraw/zinc/61/22/97/566612297.db2.gz	DKRVBGPXMSFLEW-UHFFFAOYSA-N	-1	2	388.448	3.186	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000466975219	566613900	/nfs/dbraw/zinc/61/39/00/566613900.db2.gz	OIEMBLASIBDCTB-UHFFFAOYSA-N	-1	2	376.799	3.117	20	5		GGBDLM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1[N+](=O)[O-]	ZINC000479190244	567513761	/nfs/dbraw/zinc/51/37/61/567513761.db2.gz	VPKXSSAFRYFPLI-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c1C	ZINC000481590312	567690345	/nfs/dbraw/zinc/69/03/45/567690345.db2.gz	YIPVABIYFHLEEH-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccsc32)ccc1[N+](=O)[O-]	ZINC000443469485	567759935	/nfs/dbraw/zinc/75/99/35/567759935.db2.gz	ZNOLKLXVRUFNSC-UHFFFAOYSA-N	-1	2	378.387	3.309	20	5		GGBDLM
CCc1cccc(CC)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000737267667	600545940	/nfs/dbraw/zinc/54/59/40/600545940.db2.gz	TWWZVBQZKRDKNZ-UHFFFAOYSA-N	-1	2	378.406	3.219	20	5		GGBDLM
Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)ccc1[N+](=O)[O-]	ZINC000484958990	600612189	/nfs/dbraw/zinc/61/21/89/600612189.db2.gz	KJYPTKNXIUITAU-UHFFFAOYSA-N	-1	2	394.405	3.189	20	5		GGBDLM
CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000610111346	600900428	/nfs/dbraw/zinc/90/04/28/600900428.db2.gz	XGVAFHHMKHEKCS-UHFFFAOYSA-N	-1	2	398.824	3.411	20	5		GGBDLM
CC(C)(C)Oc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833446623	605326582	/nfs/dbraw/zinc/32/65/82/605326582.db2.gz	DTJUYPSGKXPZSU-UHFFFAOYSA-N	-1	2	394.405	3.271	20	5		GGBDLM
CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833506660	605327231	/nfs/dbraw/zinc/32/72/31/605327231.db2.gz	KEKAVMTZTJGUFO-UHFFFAOYSA-N	-1	2	398.368	3.020	20	5		GGBDLM
CCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c(C)c1	ZINC001595966666	983173771	/nfs/dbraw/zinc/17/37/71/983173771.db2.gz	NSEMAFNBEKSCCH-UHFFFAOYSA-N	-1	2	394.405	3.191	20	5		GGBDLM
C[C@](NC(=O)c1ccc([N+](=O)[O-])cc1O)(C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC001593171965	994036443	/nfs/dbraw/zinc/03/64/43/994036443.db2.gz	JBLJRBCJBPADIY-MRXNPFEDSA-N	-1	2	399.186	3.337	20	5		GGBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1C	ZINC000392876666	565567602	/nfs/dbraw/zinc/56/76/02/565567602.db2.gz	DUFXHVLJQBTDOG-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1C	ZINC000326715779	565625328	/nfs/dbraw/zinc/62/53/28/565625328.db2.gz	ZWTNMQLVGPDGMY-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000466957117	566610765	/nfs/dbraw/zinc/61/07/65/566610765.db2.gz	XYOQVYULBZHMHM-UHFFFAOYSA-N	-1	2	376.799	3.117	20	5		GGBDLM
Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1	ZINC000476420629	567322784	/nfs/dbraw/zinc/32/27/84/567322784.db2.gz	WASQSWBYAJJBBP-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
Cc1sc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000548539266	567324771	/nfs/dbraw/zinc/32/47/71/567324771.db2.gz	SBLWGWZNOAPRNM-UHFFFAOYSA-N	-1	2	376.799	3.117	20	5		GGBDLM
Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])ccc1OC(C)C	ZINC000738463743	600898359	/nfs/dbraw/zinc/89/83/59/600898359.db2.gz	SYVSWNBOTZGALQ-UHFFFAOYSA-N	-1	2	394.405	3.189	20	5		GGBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000738396780	601050045	/nfs/dbraw/zinc/05/00/45/601050045.db2.gz	JJXOJTYAKOJELA-UHFFFAOYSA-N	-1	2	396.396	3.205	20	5		GGBDLM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1	ZINC000832905215	601362935	/nfs/dbraw/zinc/36/29/35/601362935.db2.gz	HXDRIWSSALXIAJ-UHFFFAOYSA-N	-1	2	399.450	3.156	20	5		GGBDLM
Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1[N+](=O)[O-]	ZINC000832956663	601363162	/nfs/dbraw/zinc/36/31/62/601363162.db2.gz	OZSBQJVJAOVPIM-UHFFFAOYSA-N	-1	2	399.450	3.156	20	5		GGBDLM
Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)sc1C(=O)[O-]	ZINC000832886136	601782757	/nfs/dbraw/zinc/78/27/57/601782757.db2.gz	XNKMSKFATSORPY-UHFFFAOYSA-N	-1	2	390.826	3.426	20	5		GGBDLM
Cc1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)[O-])c1C	ZINC000833758240	605022740	/nfs/dbraw/zinc/02/27/40/605022740.db2.gz	STBSALYFEWOQDP-UHFFFAOYSA-N	-1	2	390.826	3.426	20	5		GGBDLM
Cc1ccc(-c2cc(NS(=O)(=O)c3cc([N+](=O)[O-])c([O-])cc3C)n[nH]2)s1	ZINC000157330461	1423986526	/nfs/dbraw/zinc/98/65/26/1423986526.db2.gz	YEVOSRWEQHPWEM-UHFFFAOYSA-N	-1	2	394.434	3.170	20	5		GGBDLM
C[C@@H](Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)[O-]	ZINC000543663709	974418876	/nfs/dbraw/zinc/41/88/76/974418876.db2.gz	RBEKPWBSBHWPNU-JTQLQIEISA-N	-1	2	398.824	3.312	20	5		GGBDLM
C[C@@](NC(=O)c1ccc([N+](=O)[O-])cc1O)(C(=O)[O-])c1ccc(Cl)c(Cl)c1	ZINC001593171964	994036502	/nfs/dbraw/zinc/03/65/02/994036502.db2.gz	JBLJRBCJBPADIY-INIZCTEOSA-N	-1	2	399.186	3.337	20	5		GGBDLM
O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000327532148	565630287	/nfs/dbraw/zinc/63/02/87/565630287.db2.gz	VCYPDOLMUVJFIN-UHFFFAOYSA-N	-1	2	392.723	3.025	20	5		GGBDLM
Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000327491074	565630993	/nfs/dbraw/zinc/63/09/93/565630993.db2.gz	NVHXSMOOODMKBS-UHFFFAOYSA-N	-1	2	384.797	3.364	20	5		GGBDLM
O=C([O-])c1cc(NS(=O)(=O)c2csc3ccccc32)cc([N+](=O)[O-])c1	ZINC000504592395	567541669	/nfs/dbraw/zinc/54/16/69/567541669.db2.gz	LQNHZQBOIGQLMO-UHFFFAOYSA-N	-1	2	378.387	3.309	20	5		GGBDLM
O=C([O-])c1cc(NC(=O)c2sc(N3CCCC3)nc2Cl)cc([N+](=O)[O-])c1	ZINC000833300012	600975188	/nfs/dbraw/zinc/97/51/88/600975188.db2.gz	IIEDZAWBKKYSMO-UHFFFAOYSA-N	-1	2	396.812	3.255	20	5		GGBDLM
CCc1ccc(CC)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000830245348	601365679	/nfs/dbraw/zinc/36/56/79/601365679.db2.gz	VAJRZNMULJGYPX-UHFFFAOYSA-N	-1	2	378.406	3.219	20	5		GGBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])c(F)c2)cc1[N+](=O)[O-]	ZINC000833744525	605265538	/nfs/dbraw/zinc/26/55/38/605265538.db2.gz	GWJAAIPYJLQAPC-UHFFFAOYSA-N	-1	2	387.320	3.072	20	5		GGBDLM
CC(C)COc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833490398	605327924	/nfs/dbraw/zinc/32/79/24/605327924.db2.gz	FDIBORZSGMIOSN-UHFFFAOYSA-N	-1	2	394.405	3.129	20	5		GGBDLM