smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1C	ZINC000580595758	505793026	/nfs/dbraw/zinc/79/30/26/505793026.db2.gz	WDLZKXBCPIOQFC-UHFFFAOYSA-N	-2	0	366.395	3.035	20	5		FGBDRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000324234124	498826263	/nfs/dbraw/zinc/82/62/63/498826263.db2.gz	YIJONWGFSAEAKQ-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1C(=O)[O-]	ZINC000324847141	498831101	/nfs/dbraw/zinc/83/11/01/498831101.db2.gz	DXULSGONAPMATA-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)sc1C(=O)[O-]	ZINC000325560548	498837571	/nfs/dbraw/zinc/83/75/71/498837571.db2.gz	GQLHIRFLOLUHSV-UHFFFAOYSA-N	-2	0	370.408	3.081	20	5		FGBDRL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1C	ZINC000392244486	499558417	/nfs/dbraw/zinc/55/84/17/499558417.db2.gz	ODBFUWUXQZLNQU-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nn(-c2ccccc2)cc1[O-]	ZINC000436897052	501229096	/nfs/dbraw/zinc/22/90/96/501229096.db2.gz	QBRXDPITTSPKQU-UHFFFAOYSA-N	-2	0	374.740	3.097	20	5		FGBDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000484802263	502743309	/nfs/dbraw/zinc/74/33/09/502743309.db2.gz	JJUNHEXVDVPBPP-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000739436529	599881868	/nfs/dbraw/zinc/88/18/68/599881868.db2.gz	QDNDWJJDCJLTHH-UHFFFAOYSA-N	-2	0	372.358	3.143	20	5		FGBDRL
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(F)c(F)c([O-])c1F	ZINC000184038347	496213655	/nfs/dbraw/zinc/21/36/55/496213655.db2.gz	LGZIOIDPBSHNTI-UHFFFAOYSA-N	-2	0	362.647	3.329	20	5		FGBDRL
COc1cc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc([N+](=O)[O-])c1[O-]	ZINC000436935197	500573900	/nfs/dbraw/zinc/57/39/00/500573900.db2.gz	JLSDFZHVJCTQPA-SNAWJCMRSA-N	-2	0	359.338	3.091	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1	ZINC000738664683	600886253	/nfs/dbraw/zinc/88/62/53/600886253.db2.gz	LDOCVGUUTLYKRM-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C([O-])N[C@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000834139111	605713006	/nfs/dbraw/zinc/71/30/06/605713006.db2.gz	YRLUXITWUMLVNK-CYBMUJFWSA-N	-2	0	359.338	3.028	20	5		FGBDRL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000751271060	722800443	/nfs/dbraw/zinc/80/04/43/722800443.db2.gz	ZVDPRKOLDPLKIV-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C	ZINC000392392081	499558892	/nfs/dbraw/zinc/55/88/92/499558892.db2.gz	CVLQVXNFUXPVLM-UHFFFAOYSA-N	-2	0	370.408	3.081	20	5		FGBDRL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432183325	500481375	/nfs/dbraw/zinc/48/13/75/500481375.db2.gz	XIFMKNNAKPGUKL-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
COc1cc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)cc([N+](=O)[O-])c1[O-]	ZINC000439267371	500877533	/nfs/dbraw/zinc/87/75/33/500877533.db2.gz	DHWYXNKGBNFPQV-GORDUTHDSA-N	-2	0	356.290	3.319	20	5		FGBDRL
COc1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)cc([N+](=O)[O-])c1[O-]	ZINC000439266367	500877972	/nfs/dbraw/zinc/87/79/72/500877972.db2.gz	AUZZDQOAALPIST-GORDUTHDSA-N	-2	0	356.290	3.319	20	5		FGBDRL
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000548533781	504479615	/nfs/dbraw/zinc/47/96/15/504479615.db2.gz	JPSPAYJAJLQNLG-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
COc1cc(CN=c2[n-]nc(-c3ccc(C)cc3C)o2)cc([N+](=O)[O-])c1[O-]	ZINC000556265670	504831744	/nfs/dbraw/zinc/83/17/44/504831744.db2.gz	CLTGASWYKANOGC-UHFFFAOYSA-N	-2	0	370.365	3.010	20	5		FGBDRL
Cc1cc(Br)c([O-])c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000183599818	496043105	/nfs/dbraw/zinc/04/31/05/496043105.db2.gz	ABCOGDPUULPXCW-UHFFFAOYSA-N	-2	0	367.155	3.329	20	5		FGBDRL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)cc1[O-]	ZINC000221012794	497017892	/nfs/dbraw/zinc/01/78/92/497017892.db2.gz	GCSWQDUFPVENMG-UHFFFAOYSA-N	-2	0	353.128	3.021	20	5		FGBDRL
CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471108671	501923071	/nfs/dbraw/zinc/92/30/71/501923071.db2.gz	QJDOSAVOIBFKJF-UHFFFAOYSA-N	-2	0	364.379	3.217	20	5		FGBDRL
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ccccc2c1	ZINC000514898008	503222622	/nfs/dbraw/zinc/22/26/22/503222622.db2.gz	AWPGGJSVJDAVPQ-UHFFFAOYSA-N	-2	0	372.358	3.247	20	5		FGBDRL
CCCCOc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000511143561	503267962	/nfs/dbraw/zinc/26/79/62/503267962.db2.gz	ONYCYMFUVAQKGG-UHFFFAOYSA-N	-2	0	366.395	3.280	20	5		FGBDRL
Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000758171683	601782526	/nfs/dbraw/zinc/78/25/26/601782526.db2.gz	YLCDWNCRNLXERS-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
C[C@@H](Sc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000833544001	604894499	/nfs/dbraw/zinc/89/44/99/604894499.db2.gz	CTEKITYBKNYCEA-SECBINFHSA-N	-2	0	362.363	3.118	20	5		FGBDRL
CCN(Cc1ccccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000827187339	605230921	/nfs/dbraw/zinc/23/09/21/605230921.db2.gz	YDCATSQCMGJAED-UHFFFAOYSA-N	-2	0	359.338	3.053	20	5		FGBDRL
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(Br)c1[O-]	ZINC000776200165	724117724	/nfs/dbraw/zinc/11/77/24/724117724.db2.gz	QIWXUNRJLHHQQQ-UHFFFAOYSA-N	-2	0	353.128	3.021	20	5		FGBDRL
CC(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000484059869	502559371	/nfs/dbraw/zinc/55/93/71/502559371.db2.gz	JJBQQEGZHSFGPZ-UHFFFAOYSA-N	-2	0	370.358	3.028	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000832953015	602197154	/nfs/dbraw/zinc/19/71/54/602197154.db2.gz	WDYUOVDPNUOPLK-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1C	ZINC000740100904	602645682	/nfs/dbraw/zinc/64/56/82/602645682.db2.gz	ZAJSIZXIIWMRDN-UHFFFAOYSA-N	-2	0	365.367	3.102	20	5		FGBDRL
O=[N+]([O-])c1ccc([O-])c([N-]S(=O)(=O)/C=C/c2ccccc2Cl)c1	ZINC000746054059	722592737	/nfs/dbraw/zinc/59/27/37/722592737.db2.gz	LRDXEMZWBMKTTL-BQYQJAHWSA-N	-2	0	354.771	3.366	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000323895399	498824826	/nfs/dbraw/zinc/82/48/26/498824826.db2.gz	XTGMIUWNTVNQSD-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1C	ZINC000481617823	501834585	/nfs/dbraw/zinc/83/45/85/501834585.db2.gz	XWZXMAWWBWLNEE-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471125090	501928443	/nfs/dbraw/zinc/92/84/43/501928443.db2.gz	OBTFODNNHUFQRF-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000507594824	503329008	/nfs/dbraw/zinc/32/90/08/503329008.db2.gz	FIVFXSQPOFNUME-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1cc(Br)c([O-])c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1	ZINC000556971736	505035335	/nfs/dbraw/zinc/03/53/35/505035335.db2.gz	IGQUGGGUQJKBBW-UHFFFAOYSA-N	-2	0	367.155	3.329	20	5		FGBDRL
C[C@H](Sc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000833544002	604894565	/nfs/dbraw/zinc/89/45/65/604894565.db2.gz	CTEKITYBKNYCEA-VIFPVBQESA-N	-2	0	362.363	3.118	20	5		FGBDRL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1C	ZINC000327255621	498854432	/nfs/dbraw/zinc/85/44/32/498854432.db2.gz	AOMFEWOKSGMIEK-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
O=C([O-])c1nc(/C=C/c2ccc([N+](=O)[O-])c([O-])c2)sc1Br	ZINC000486001840	502014769	/nfs/dbraw/zinc/01/47/69/502014769.db2.gz	IBXLYUAFWCXLKR-DUXPYHPUSA-N	-2	0	371.168	3.388	20	5		FGBDRL
O=C([O-])Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1	ZINC000740713449	602645870	/nfs/dbraw/zinc/64/58/70/602645870.db2.gz	YPBZLJSBKQSJJM-UHFFFAOYSA-N	-2	0	371.758	3.139	20	5		FGBDRL
O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000740717499	602653972	/nfs/dbraw/zinc/65/39/72/602653972.db2.gz	WJBRVCSXAOMSLG-UHFFFAOYSA-N	-2	0	371.758	3.139	20	5		FGBDRL
O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000740717467	602930798	/nfs/dbraw/zinc/93/07/98/602930798.db2.gz	VIDSZYJZWNPHGD-UHFFFAOYSA-N	-2	0	371.758	3.139	20	5		FGBDRL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2csc3ccccc23)ccc1[O-]	ZINC000484045168	502556487	/nfs/dbraw/zinc/55/64/87/502556487.db2.gz	QHAWXJUNJRKCFR-UHFFFAOYSA-N	-2	0	350.377	3.316	20	5		FGBDRL
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000768892405	723671373	/nfs/dbraw/zinc/67/13/73/723671373.db2.gz	SDBZODSJDYDNSR-VIFPVBQESA-N	-2	0	370.408	3.035	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000479178574	502183946	/nfs/dbraw/zinc/18/39/46/502183946.db2.gz	ATOOYNLHJJXZQJ-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc2ccccc21	ZINC000548527680	504477938	/nfs/dbraw/zinc/47/79/38/504477938.db2.gz	WGFALVYSEYABSJ-UHFFFAOYSA-N	-2	0	372.358	3.247	20	5		FGBDRL
O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc([O-])ccc1[N+](=O)[O-]	ZINC000796404128	723636460	/nfs/dbraw/zinc/63/64/60/723636460.db2.gz	LKDWNWJQUBVWDP-UHFFFAOYSA-N	-2	0	360.326	3.210	20	5		FGBDRL
Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1	ZINC000132827222	494930341	/nfs/dbraw/zinc/93/03/41/494930341.db2.gz	YKAUVYKXLCWVFL-UHFFFAOYSA-N	-2	0	373.390	3.266	20	5		FGBDRL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(F)F	ZINC000508235961	503460328	/nfs/dbraw/zinc/46/03/28/503460328.db2.gz	VYHJPDKBUPJHSE-UHFFFAOYSA-N	-2	0	374.321	3.011	20	5		FGBDRL
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1s[n-]c(=O)c1Cl	ZINC000555579023	505462526	/nfs/dbraw/zinc/46/25/26/505462526.db2.gz	OZFGEDYTLFJUCS-UHFFFAOYSA-N	-2	0	350.139	3.022	20	5		FGBDRL
Cc1cccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C(=O)[O-]	ZINC000577159472	505676071	/nfs/dbraw/zinc/67/60/71/505676071.db2.gz	CGTWSTITIVITHG-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000476393272	502477721	/nfs/dbraw/zinc/47/77/21/502477721.db2.gz	QNIYOXXOKAWMRG-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
CCCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1	ZINC000515633592	503377504	/nfs/dbraw/zinc/37/75/04/503377504.db2.gz	OQWMOPNMWUDACO-UHFFFAOYSA-N	-2	0	364.379	3.046	20	5		FGBDRL
COc1cc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cc([N+](=O)[O-])c1[O-]	ZINC000540792193	562593221	/nfs/dbraw/zinc/59/32/21/562593221.db2.gz	FLTQUKRWQRTPPO-UHFFFAOYSA-N	-2	0	374.328	3.034	20	5		FGBDRL
O=[N+]([O-])c1ccc([O-])c([N-]S(=O)(=O)/C=C/c2cccc(Cl)c2)c1	ZINC000768862755	723670015	/nfs/dbraw/zinc/67/00/15/723670015.db2.gz	YSHKIAFVBZLDNZ-VOTSOKGWSA-N	-2	0	354.771	3.366	20	5		FGBDRL
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-]	ZINC000324632199	498830576	/nfs/dbraw/zinc/83/05/76/498830576.db2.gz	ASWLWMAEYWHMJM-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
COc1cc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)cc([N+](=O)[O-])c1[O-]	ZINC000436935194	500573855	/nfs/dbraw/zinc/57/38/55/500573855.db2.gz	JLSDFZHVJCTQPA-PLNGDYQASA-N	-2	0	359.338	3.091	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000507566908	503324238	/nfs/dbraw/zinc/32/42/38/503324238.db2.gz	OTSSDEANLPNFCN-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])cc1C	ZINC000740097916	602653347	/nfs/dbraw/zinc/65/33/47/602653347.db2.gz	JNBBCSHXHMJCDP-UHFFFAOYSA-N	-2	0	365.367	3.102	20	5		FGBDRL
O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2cccc(O)c2F)cc1Cl	ZINC000821192416	729067128	/nfs/dbraw/zinc/06/71/28/729067128.db2.gz	UQCDEYDKIIQXDH-UHFFFAOYSA-N	-2	0	364.713	3.033	20	5		FGBDRL
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000738477097	600637762	/nfs/dbraw/zinc/63/77/62/600637762.db2.gz	MFFJICXIMYUORN-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C([O-])c1nc(/C=C/c2ccc([O-])c([N+](=O)[O-])c2)sc1Br	ZINC000436932026	500573570	/nfs/dbraw/zinc/57/35/70/500573570.db2.gz	MDOOCXUJIJDXMA-DUXPYHPUSA-N	-2	0	371.168	3.388	20	5		FGBDRL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000562310850	504780470	/nfs/dbraw/zinc/78/04/70/504780470.db2.gz	JPDWQBQRSOOKNS-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1NC(=O)[O-]	ZINC000739543721	602653060	/nfs/dbraw/zinc/65/30/60/602653060.db2.gz	YTNYLBGYESPTKQ-UHFFFAOYSA-N	-2	0	365.367	3.048	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)[O-]	ZINC000324958401	498832524	/nfs/dbraw/zinc/83/25/24/498832524.db2.gz	WGEHZTWDLJHPDV-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-]	ZINC000392157550	499558308	/nfs/dbraw/zinc/55/83/08/499558308.db2.gz	PHZSTNNSCHPUIH-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000507621625	503333580	/nfs/dbraw/zinc/33/35/80/503333580.db2.gz	ONRDTWUEPPPCNN-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1sc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1[N+](=O)[O-]	ZINC000515947318	503423864	/nfs/dbraw/zinc/42/38/64/503423864.db2.gz	MCGTUYLGBAGSGC-UHFFFAOYSA-N	-2	0	370.408	3.081	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000520038006	504402842	/nfs/dbraw/zinc/40/28/42/504402842.db2.gz	VISLNVPBPGDSND-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
C[C@@](CC(=O)[O-])(C(=O)Nc1ccc([N+](=O)[O-])cc1[O-])C1CCCCC1	ZINC000522621408	714196543	/nfs/dbraw/zinc/19/65/43/714196543.db2.gz	YKROZMGSFIRXOO-KRWDZBQOSA-N	-2	0	350.371	3.300	20	5		FGBDRL
O=C([O-])c1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(F)F)c1	ZINC000790616416	723159352	/nfs/dbraw/zinc/15/93/52/723159352.db2.gz	MSESDZSEWJPUNU-UHFFFAOYSA-N	-2	0	372.305	3.031	20	5		FGBDRL
COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000024101224	494606367	/nfs/dbraw/zinc/60/63/67/494606367.db2.gz	YZYAJEJUBCMQAK-UHFFFAOYSA-N	-2	0	372.786	3.072	20	5		FGBDRL
Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1	ZINC000548198741	504366373	/nfs/dbraw/zinc/36/63/73/504366373.db2.gz	XXMPDHSRIMGPGT-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1	ZINC000775471413	723993646	/nfs/dbraw/zinc/99/36/46/723993646.db2.gz	VBXLKQAUOQHQFQ-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1C(=O)[O-]	ZINC000391961693	499557685	/nfs/dbraw/zinc/55/76/85/499557685.db2.gz	KIWMKHGUZBBNBA-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C([O-])c1ccccc1C1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1	ZINC000377585619	499707083	/nfs/dbraw/zinc/70/70/83/499707083.db2.gz	VFGPMWUNYJFAER-UHFFFAOYSA-N	-2	0	370.361	3.018	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000507580128	503325966	/nfs/dbraw/zinc/32/59/66/503325966.db2.gz	BENSJYIIVOFTPC-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])c1Cl	ZINC000548197061	504366998	/nfs/dbraw/zinc/36/69/98/504366998.db2.gz	QMJXLEYHYTZJHK-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc3ccccc32)c1	ZINC000432192872	500482469	/nfs/dbraw/zinc/48/24/69/500482469.db2.gz	PSVNDIKDMMKPAH-UHFFFAOYSA-N	-2	0	372.358	3.247	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000728265081	599924955	/nfs/dbraw/zinc/92/49/55/599924955.db2.gz	CHRUZKHEPOVOSU-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1sc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)[O-])c1C	ZINC000833758260	605022706	/nfs/dbraw/zinc/02/27/06/605022706.db2.gz	UFIYYTYHRHAZER-UHFFFAOYSA-N	-2	0	370.408	3.081	20	5		FGBDRL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccnc2-c2ccccc2)ccc1[O-]	ZINC000164993283	496644248	/nfs/dbraw/zinc/64/42/48/496644248.db2.gz	HGSWSMGZSPTNPC-UHFFFAOYSA-N	-2	0	371.374	3.163	20	5		FGBDRL
Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000753062921	601781991	/nfs/dbraw/zinc/78/19/91/601781991.db2.gz	VKJBVXGXPAWOQJ-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1sc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)[O-])c1C	ZINC000833751434	605302320	/nfs/dbraw/zinc/30/23/20/605302320.db2.gz	YFFYSZLEQWGUTQ-UHFFFAOYSA-N	-2	0	370.408	3.081	20	5		FGBDRL
C[C@](CC(=O)[O-])(C(=O)Nc1ccc([N+](=O)[O-])cc1[O-])C1CCCCC1	ZINC000522621409	714196381	/nfs/dbraw/zinc/19/63/81/714196381.db2.gz	YKROZMGSFIRXOO-QGZVFWFLSA-N	-2	0	350.371	3.300	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000324448414	498829372	/nfs/dbraw/zinc/82/93/72/498829372.db2.gz	FSGCMHNNGNWCGY-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000324693065	498830714	/nfs/dbraw/zinc/83/07/14/498830714.db2.gz	RGONOJLVVCCHOL-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C(=O)[O-])c(Cl)c1	ZINC000325054800	498833043	/nfs/dbraw/zinc/83/30/43/498833043.db2.gz	UZIHZGNKPVISFG-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c1[N+](=O)[O-]	ZINC000479184636	502186754	/nfs/dbraw/zinc/18/67/54/502186754.db2.gz	JFKCUNGWISCTSI-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])c(Cl)c1	ZINC000548555761	504482218	/nfs/dbraw/zinc/48/22/18/504482218.db2.gz	BFVMURFVMLCHQH-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CC(C)n1ncc2c1nc(/C=C\c1ccc([N+](=O)[O-])c([O-])c1)cc2C(=O)[O-]	ZINC000566697090	505246880	/nfs/dbraw/zinc/24/68/80/505246880.db2.gz	KOJDDEBOBBTOND-HYXAFXHYSA-N	-2	0	368.349	3.495	20	5		FGBDRL
CCCc1nc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)s1	ZINC000486125375	502055610	/nfs/dbraw/zinc/05/56/10/502055610.db2.gz	SIOLSIWOBUKXBH-UHFFFAOYSA-N	-2	0	371.440	3.127	20	5		FGBDRL
Cc1sc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000466959523	502739958	/nfs/dbraw/zinc/73/99/58/502739958.db2.gz	KPIPDXYAOIOWSC-UHFFFAOYSA-N	-2	0	370.408	3.081	20	5		FGBDRL
Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cccc1[N+](=O)[O-]	ZINC000326370680	498842501	/nfs/dbraw/zinc/84/25/01/498842501.db2.gz	FFOGZWIXQBJJEQ-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)ccc1[N+](=O)[O-]	ZINC000471124569	501928422	/nfs/dbraw/zinc/92/84/22/501928422.db2.gz	LDDHLDAWNMJBBB-UHFFFAOYSA-N	-2	0	372.305	3.031	20	5		FGBDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000484800536	502742147	/nfs/dbraw/zinc/74/21/47/502742147.db2.gz	WBCSWCHQTOCDKA-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c([N+](=O)[O-])c1	ZINC000509585961	502941891	/nfs/dbraw/zinc/94/18/91/502941891.db2.gz	GNTYNYWAJHOWJT-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc(C)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000327440086	498858504	/nfs/dbraw/zinc/85/85/04/498858504.db2.gz	UHTIXTSFYFWJTH-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000604307285	506780010	/nfs/dbraw/zinc/78/00/10/506780010.db2.gz	GDVDMXBKTSREPZ-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CCc1[nH]c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)c1C(=O)[O-]	ZINC000833667901	605259215	/nfs/dbraw/zinc/25/92/15/605259215.db2.gz	LICCIINKHKNQAQ-UHFFFAOYSA-N	-2	0	367.745	3.103	20	5		FGBDRL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471112050	501923788	/nfs/dbraw/zinc/92/37/88/501923788.db2.gz	INRVDZKUJUGGFY-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548212337	504369340	/nfs/dbraw/zinc/36/93/40/504369340.db2.gz	VBUQKBWSDWJSPM-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000545932926	504644462	/nfs/dbraw/zinc/64/44/62/504644462.db2.gz	SGFNKLPGDZJGCN-UHFFFAOYSA-N	-2	0	370.408	3.026	20	5		FGBDRL
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000522365436	600612085	/nfs/dbraw/zinc/61/20/85/600612085.db2.gz	XEXRQOWHBGSIIM-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
C[C@](CC(=O)[O-])(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1	ZINC000523296824	714225818	/nfs/dbraw/zinc/22/58/18/714225818.db2.gz	MKACPTYUGMWFJE-QGZVFWFLSA-N	-2	0	350.371	3.300	20	5		FGBDRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000572064792	505880668	/nfs/dbraw/zinc/88/06/68/505880668.db2.gz	VRLCEQHUKQTEHO-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1cc(C(CC(=O)[O-])CC(=O)[O-])ccc1-c1cc([N+](=O)[O-])ccc1CO	ZINC000579026329	506077520	/nfs/dbraw/zinc/07/75/20/506077520.db2.gz	VVAQSZBCYWQPLZ-UHFFFAOYSA-N	-2	0	373.361	3.096	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1C	ZINC000481627642	501836172	/nfs/dbraw/zinc/83/61/72/501836172.db2.gz	ZRBLYBLHLCGSBT-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000498018743	503089184	/nfs/dbraw/zinc/08/91/84/503089184.db2.gz	IVIDCUKBDHOJLO-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000508008833	503412589	/nfs/dbraw/zinc/41/25/89/503412589.db2.gz	FZPKCEJIJVKBIV-UHFFFAOYSA-N	-2	0	374.321	3.011	20	5		FGBDRL
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000604307282	506780867	/nfs/dbraw/zinc/78/08/67/506780867.db2.gz	CIXAIGZHTDNFGX-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
COc1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)cc([N+](=O)[O-])c1[O-]	ZINC000439271462	500878226	/nfs/dbraw/zinc/87/82/26/500878226.db2.gz	GVDZWLJTZHAMJQ-AATRIKPKSA-N	-2	0	356.290	3.319	20	5		FGBDRL
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)ccc1[N+](=O)[O-]	ZINC000609661577	506965578	/nfs/dbraw/zinc/96/55/78/506965578.db2.gz	VABNQRHPGLMPAO-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c1C	ZINC000830426680	604644913	/nfs/dbraw/zinc/64/49/13/604644913.db2.gz	ACXMOZWMRAGEHA-UHFFFAOYSA-N	-2	0	365.367	3.102	20	5		FGBDRL
Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1Cl	ZINC000753770196	722912102	/nfs/dbraw/zinc/91/21/02/722912102.db2.gz	KHQWBZCAKHUXEY-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3ccccc32)cc([N+](=O)[O-])c1	ZINC000484559228	502669223	/nfs/dbraw/zinc/66/92/23/502669223.db2.gz	XGBIHOURHNZVSV-UHFFFAOYSA-N	-2	0	372.358	3.247	20	5		FGBDRL
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000511296082	503295308	/nfs/dbraw/zinc/29/53/08/503295308.db2.gz	MZQPWBKHVYVGSK-UHFFFAOYSA-N	-2	0	364.379	3.217	20	5		FGBDRL
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1OC(C)C	ZINC000499165628	503347279	/nfs/dbraw/zinc/34/72/79/503347279.db2.gz	ANAXOMAZNZHNTF-UHFFFAOYSA-N	-2	0	366.395	3.197	20	5		FGBDRL
Cc1c([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cccc1C(=O)[O-]	ZINC000728266699	722450800	/nfs/dbraw/zinc/45/08/00/722450800.db2.gz	WSIMPRVYTZSFOX-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1	ZINC000768892403	723671416	/nfs/dbraw/zinc/67/14/16/723671416.db2.gz	SDBZODSJDYDNSR-SECBINFHSA-N	-2	0	370.408	3.035	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-]	ZINC000326423187	498843237	/nfs/dbraw/zinc/84/32/37/498843237.db2.gz	PZRNSSWKMCWGCU-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C([O-])c1nc(/C=C\c2ccc([O-])c([N+](=O)[O-])c2)sc1Br	ZINC000436932030	500573125	/nfs/dbraw/zinc/57/31/25/500573125.db2.gz	MDOOCXUJIJDXMA-RQOWECAXSA-N	-2	0	371.168	3.388	20	5		FGBDRL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c1[N+](=O)[O-]	ZINC000479192178	502188709	/nfs/dbraw/zinc/18/87/09/502188709.db2.gz	UMFWSDOAGRXSNP-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(Br)c1[O-]	ZINC000539971245	504751385	/nfs/dbraw/zinc/75/13/85/504751385.db2.gz	LREJMPOKLRKPFK-UHFFFAOYSA-N	-2	0	353.128	3.021	20	5		FGBDRL
Cc1c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cccc1C(=O)[O-]	ZINC000476777836	502583751	/nfs/dbraw/zinc/58/37/51/502583751.db2.gz	SBIFRLDRQMRYPA-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)sc1C(=O)[O-]	ZINC000832898716	601475120	/nfs/dbraw/zinc/47/51/20/601475120.db2.gz	RGTUAHZHUVFZDF-UHFFFAOYSA-N	-2	0	370.408	3.081	20	5		FGBDRL
Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000753057894	601782121	/nfs/dbraw/zinc/78/21/21/601782121.db2.gz	BPVRDFSSPWFMOP-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000775295592	723978769	/nfs/dbraw/zinc/97/87/69/723978769.db2.gz	TUZPSHNWJSHTHY-UHFFFAOYSA-N	-2	0	372.786	3.072	20	5		FGBDRL
COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000499158932	503346744	/nfs/dbraw/zinc/34/67/44/503346744.db2.gz	BPMFZMSWSUWDOU-UHFFFAOYSA-N	-2	0	372.786	3.072	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000832898159	602196036	/nfs/dbraw/zinc/19/60/36/602196036.db2.gz	CZUJWFIVHFFCDD-UHFFFAOYSA-N	-2	0	370.408	3.081	20	5		FGBDRL
CC(C)(C)c1nc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)sc1C(=O)[O-]	ZINC000833451179	605715062	/nfs/dbraw/zinc/71/50/62/605715062.db2.gz	TUERFFWWTBXICX-UHFFFAOYSA-N	-2	0	365.367	3.005	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000324926522	498833030	/nfs/dbraw/zinc/83/30/30/498833030.db2.gz	MMEMOABFVJXLNR-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
COc1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cc([N+](=O)[O-])c1[O-]	ZINC000439267370	500877938	/nfs/dbraw/zinc/87/79/38/500877938.db2.gz	DHWYXNKGBNFPQV-DJWKRKHSSA-N	-2	0	356.290	3.319	20	5		FGBDRL
Cc1sc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000466970283	502741601	/nfs/dbraw/zinc/74/16/01/502741601.db2.gz	CCKRXGKVYKEVTD-UHFFFAOYSA-N	-2	0	370.408	3.081	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)c1C	ZINC000830428038	604751744	/nfs/dbraw/zinc/75/17/44/604751744.db2.gz	QOTHVEQLSUNBGB-UHFFFAOYSA-N	-2	0	365.367	3.102	20	5		FGBDRL
CCCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471122430	501927183	/nfs/dbraw/zinc/92/71/83/501927183.db2.gz	BHECTXMPNDKGKY-UHFFFAOYSA-N	-2	0	364.379	3.046	20	5		FGBDRL
C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000547938066	504265710	/nfs/dbraw/zinc/26/57/10/504265710.db2.gz	LWZOYBQXZMZKAH-VIFPVBQESA-N	-2	0	370.408	3.035	20	5		FGBDRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1[N+](=O)[O-]	ZINC000471113528	501923983	/nfs/dbraw/zinc/92/39/83/501923983.db2.gz	AVZQLEISRTZVSY-UHFFFAOYSA-N	-2	0	372.358	3.247	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000476738387	502575745	/nfs/dbraw/zinc/57/57/45/502575745.db2.gz	LWIZTGBZGCHNFC-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CCCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000470460737	502783465	/nfs/dbraw/zinc/78/34/65/502783465.db2.gz	YVYSTQAXDSKUBR-UHFFFAOYSA-N	-2	0	370.358	3.029	20	5		FGBDRL
Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1Cl	ZINC000537197119	503836245	/nfs/dbraw/zinc/83/62/45/503836245.db2.gz	LPTPOXCPLZPEHM-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000604307320	506780415	/nfs/dbraw/zinc/78/04/15/506780415.db2.gz	XHJQWIZSSJHWJU-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C([O-])Nc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000740717176	602653789	/nfs/dbraw/zinc/65/37/89/602653789.db2.gz	TWIYPPCQZXDLKD-UHFFFAOYSA-N	-2	0	371.758	3.139	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)[O-])c1	ZINC000323847438	498823135	/nfs/dbraw/zinc/82/31/35/498823135.db2.gz	LSIONAFOPHNYJL-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c([N+](=O)[O-])c1	ZINC000548533631	504479604	/nfs/dbraw/zinc/47/96/04/504479604.db2.gz	BQDYTLOLSKLVDD-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(NC(=O)[O-])c2)c1C	ZINC000832958362	602197207	/nfs/dbraw/zinc/19/72/07/602197207.db2.gz	YLJRMKXMDQZGRQ-UHFFFAOYSA-N	-2	0	365.367	3.102	20	5		FGBDRL
CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000469269990	502356835	/nfs/dbraw/zinc/35/68/35/502356835.db2.gz	ZHVPGLADLDNFNE-UHFFFAOYSA-N	-2	0	372.786	3.153	20	5		FGBDRL
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000738477184	600613089	/nfs/dbraw/zinc/61/30/89/600613089.db2.gz	UDGDFQUNUIGUOG-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl	ZINC000326518125	498843882	/nfs/dbraw/zinc/84/38/82/498843882.db2.gz	LOVCOAQICVTHPE-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000439049947	500850647	/nfs/dbraw/zinc/85/06/47/500850647.db2.gz	APLBXHLTPDXCDR-UHFFFAOYSA-N	-2	0	368.349	3.006	20	5		FGBDRL
O=C([O-])Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(Cl)c1	ZINC000834256625	605713720	/nfs/dbraw/zinc/71/37/20/605713720.db2.gz	RIEGUYSNUHSABA-UHFFFAOYSA-N	-2	0	351.702	3.296	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c1C	ZINC000481570814	501818546	/nfs/dbraw/zinc/81/85/46/501818546.db2.gz	OYFQYUZTXZPBIU-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1[N+](=O)[O-]	ZINC000479189617	502187112	/nfs/dbraw/zinc/18/71/12/502187112.db2.gz	QUCXGIUQHFSAEV-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-]	ZINC000471976909	502189501	/nfs/dbraw/zinc/18/95/01/502189501.db2.gz	HDSFCMBNINZAJL-UHFFFAOYSA-N	-2	0	374.777	3.077	20	5		FGBDRL
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000508215022	503455420	/nfs/dbraw/zinc/45/54/20/503455420.db2.gz	HFTGWHCOTDJNFW-UHFFFAOYSA-N	-2	0	372.786	3.072	20	5		FGBDRL
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1	ZINC000131402139	700814711	/nfs/dbraw/zinc/81/47/11/700814711.db2.gz	CVXRXOVHWQYZKI-UHFFFAOYSA-N	-2	0	360.750	3.202	20	5		FGBDRL
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc3ccsc32)ccc1[O-]	ZINC000386454652	499549336	/nfs/dbraw/zinc/54/93/36/499549336.db2.gz	RHPMBPHLBSBEOC-UHFFFAOYSA-N	-2	0	350.377	3.316	20	5		FGBDRL
COc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)cc([N+](=O)[O-])c1[O-]	ZINC000439266363	500877783	/nfs/dbraw/zinc/87/77/83/500877783.db2.gz	AUZZDQOAALPIST-DJWKRKHSSA-N	-2	0	356.290	3.319	20	5		FGBDRL
Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])c1	ZINC000548226159	504371171	/nfs/dbraw/zinc/37/11/71/504371171.db2.gz	UDGNXHVUIXWWFC-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=[N+]([O-])c1ccc([O-])c([N-]S(=O)(=O)/C=C\c2ccccc2Cl)c1	ZINC000746054061	722592738	/nfs/dbraw/zinc/59/27/38/722592738.db2.gz	LRDXEMZWBMKTTL-FPLPWBNLSA-N	-2	0	354.771	3.366	20	5		FGBDRL
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1	ZINC000775471584	723993702	/nfs/dbraw/zinc/99/37/02/723993702.db2.gz	ZUCUSFDNGKNEHE-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C	ZINC000392891187	499559652	/nfs/dbraw/zinc/55/96/52/499559652.db2.gz	ZBOPVCVHVAKRQL-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C(=O)[O-])c1Cl	ZINC000547899122	504260520	/nfs/dbraw/zinc/26/05/20/504260520.db2.gz	YNJQOFHAGWTZRM-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C	ZINC000326512974	498844162	/nfs/dbraw/zinc/84/41/62/498844162.db2.gz	BPJIZHYQLHNGJM-UHFFFAOYSA-N	-2	0	370.408	3.026	20	5		FGBDRL
CC(C)(C)c1ccc(O)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000327323547	498855387	/nfs/dbraw/zinc/85/53/87/498855387.db2.gz	VTRYAVGIHQGBLA-UHFFFAOYSA-N	-2	0	366.395	3.104	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c1C	ZINC000548197132	504367201	/nfs/dbraw/zinc/36/72/01/504367201.db2.gz	VCJPNTKKDILURO-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000743266450	601334472	/nfs/dbraw/zinc/33/44/72/601334472.db2.gz	NBLURSODAVNPEL-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000432195441	500482299	/nfs/dbraw/zinc/48/22/99/500482299.db2.gz	VPDHBVPVQKYVGG-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000475731828	502269019	/nfs/dbraw/zinc/26/90/19/502269019.db2.gz	FSNOQDXFMXSSLU-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000795365114	723585298	/nfs/dbraw/zinc/58/52/98/723585298.db2.gz	DTLGDCNNLNRCNT-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CC(C)n1ncc2c1nc(/C=C/c1ccc([N+](=O)[O-])c([O-])c1)cc2C(=O)[O-]	ZINC000566697089	505245999	/nfs/dbraw/zinc/24/59/99/505245999.db2.gz	KOJDDEBOBBTOND-HWKANZROSA-N	-2	0	368.349	3.495	20	5		FGBDRL
O=C([O-])N[C@@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1	ZINC000834139114	605713114	/nfs/dbraw/zinc/71/31/14/605713114.db2.gz	YRLUXITWUMLVNK-ZDUSSCGKSA-N	-2	0	359.338	3.028	20	5		FGBDRL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000751270588	722800464	/nfs/dbraw/zinc/80/04/64/722800464.db2.gz	QKBOLKQSECXODP-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000324068136	498824409	/nfs/dbraw/zinc/82/44/09/498824409.db2.gz	XQFNYYZGZYBHHJ-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1C	ZINC000327318226	498855595	/nfs/dbraw/zinc/85/55/95/498855595.db2.gz	YRUNYJSKPFVWAL-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1	ZINC000485221263	501759615	/nfs/dbraw/zinc/75/96/15/501759615.db2.gz	ZVWSWHITQYOEQG-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CC(C)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1	ZINC000471106641	501922238	/nfs/dbraw/zinc/92/22/38/501922238.db2.gz	BOFHQWFXIQHUMP-UHFFFAOYSA-N	-2	0	364.379	3.217	20	5		FGBDRL
O=C([O-])c1nc(/C=C\c2ccc([N+](=O)[O-])c([O-])c2)sc1Br	ZINC000486001857	502014994	/nfs/dbraw/zinc/01/49/94/502014994.db2.gz	IBXLYUAFWCXLKR-RQOWECAXSA-N	-2	0	371.168	3.388	20	5		FGBDRL
CCCc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000603977096	506677338	/nfs/dbraw/zinc/67/73/38/506677338.db2.gz	JDNSBFJAVICOMR-UHFFFAOYSA-N	-2	0	364.379	3.046	20	5		FGBDRL
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ncoc1C(F)(F)F	ZINC000590444778	506823959	/nfs/dbraw/zinc/82/39/59/506823959.db2.gz	HQLBJFPZXGVQJG-UHFFFAOYSA-N	-2	0	351.624	3.213	20	5		FGBDRL
CC(C)(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000524549183	714287855	/nfs/dbraw/zinc/28/78/55/714287855.db2.gz	PJGKEYVSJQQNHQ-UHFFFAOYSA-N	-2	0	366.395	3.279	20	5		FGBDRL
Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000735029367	722511952	/nfs/dbraw/zinc/51/19/52/722511952.db2.gz	TZRILMWZGAKZQP-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CC(C)(C)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1O	ZINC000479539288	502290965	/nfs/dbraw/zinc/29/09/65/502290965.db2.gz	GQUBXDMMDNMUDG-UHFFFAOYSA-N	-2	0	366.395	3.104	20	5		FGBDRL
Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000522396854	714186395	/nfs/dbraw/zinc/18/63/95/714186395.db2.gz	XFSSHMWTNNKHFS-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000751267823	722800387	/nfs/dbraw/zinc/80/03/87/722800387.db2.gz	ZUFPPCFYHOSKEP-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000326549585	498844210	/nfs/dbraw/zinc/84/42/10/498844210.db2.gz	NMDWPPDFENLJLC-UHFFFAOYSA-N	-2	0	370.408	3.026	20	5		FGBDRL
CCCOc1cc(C)ccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000603982569	506680175	/nfs/dbraw/zinc/68/01/75/506680175.db2.gz	RWCAFQHWOICZAZ-UHFFFAOYSA-N	-2	0	366.395	3.198	20	5		FGBDRL
COc1cc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)cc([N+](=O)[O-])c1[O-]	ZINC000439271463	500878487	/nfs/dbraw/zinc/87/84/87/500878487.db2.gz	GVDZWLJTZHAMJQ-WAYWQWQTSA-N	-2	0	356.290	3.319	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c1C	ZINC000480714079	502651038	/nfs/dbraw/zinc/65/10/38/502651038.db2.gz	OKKFLNCGDNIOBD-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000484811736	502745054	/nfs/dbraw/zinc/74/50/54/502745054.db2.gz	SCXKPQCGJPFIGY-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c1C	ZINC000547883554	504257369	/nfs/dbraw/zinc/25/73/69/504257369.db2.gz	BNBITECGYPPVAE-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000609985297	507062645	/nfs/dbraw/zinc/06/26/45/507062645.db2.gz	UJEKNHJVJBGICQ-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000751272218	722800645	/nfs/dbraw/zinc/80/06/45/722800645.db2.gz	RVMPTKLDYOIHQX-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Br)cc1[O-]	ZINC000753977380	722921289	/nfs/dbraw/zinc/92/12/89/722921289.db2.gz	VJQXULOBFGYZJA-UHFFFAOYSA-N	-2	0	353.128	3.021	20	5		FGBDRL
CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000066586201	494360774	/nfs/dbraw/zinc/36/07/74/494360774.db2.gz	ZQXBSXPOPCOZTI-UHFFFAOYSA-N	-2	0	370.358	3.028	20	5		FGBDRL
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1Cl	ZINC000471113893	501925376	/nfs/dbraw/zinc/92/53/76/501925376.db2.gz	CLHQOORBGYMIAK-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc([O-])c(Br)c1	ZINC000052507690	494032791	/nfs/dbraw/zinc/03/27/91/494032791.db2.gz	BXGWTXYFOWXUNF-HNQUOIGGSA-N	-2	0	365.139	3.327	20	5		FGBDRL
O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1	ZINC000432183079	500481323	/nfs/dbraw/zinc/48/13/23/500481323.db2.gz	UVFGXDDUESJXSW-UHFFFAOYSA-N	-2	0	372.305	3.031	20	5		FGBDRL
O=[N+]([O-])c1ccc([O-])cc1CSc1n[n-]c(=NCc2ccco2)s1	ZINC000436475687	501134296	/nfs/dbraw/zinc/13/42/96/501134296.db2.gz	PARPFNCEFNJXOY-UHFFFAOYSA-N	-2	0	364.408	3.071	20	5		FGBDRL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000324015333	498824531	/nfs/dbraw/zinc/82/45/31/498824531.db2.gz	KHODZPFJNUFRTH-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(O)c1	ZINC000443527669	500734830	/nfs/dbraw/zinc/73/48/30/500734830.db2.gz	HWJBUWSURKAFAQ-UHFFFAOYSA-N	-2	0	366.395	3.104	20	5		FGBDRL
Cc1cc(Cl)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1O	ZINC000499284445	503372722	/nfs/dbraw/zinc/37/27/22/503372722.db2.gz	BTJQDUUHVQCJEM-UHFFFAOYSA-N	-2	0	372.786	3.077	20	5		FGBDRL
CC(C)n1ncc2c1nc(/C=C/c1ccc([O-])c([N+](=O)[O-])c1)cc2C(=O)[O-]	ZINC000562289074	504773991	/nfs/dbraw/zinc/77/39/91/504773991.db2.gz	OKCQUQRCIPSPEV-HWKANZROSA-N	-2	0	368.349	3.495	20	5		FGBDRL
C[C@@](CC(=O)[O-])(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1	ZINC000523296823	714225813	/nfs/dbraw/zinc/22/58/13/714225813.db2.gz	MKACPTYUGMWFJE-KRWDZBQOSA-N	-2	0	350.371	3.300	20	5		FGBDRL
C/C=C\c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000580001198	505659242	/nfs/dbraw/zinc/65/92/42/505659242.db2.gz	QSXBYVKIZQLZHY-IHWYPQMZSA-N	-2	0	362.363	3.127	20	5		FGBDRL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-]	ZINC000324943752	498832790	/nfs/dbraw/zinc/83/27/90/498832790.db2.gz	RMVZSDCYUOVKKK-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000391779607	499557332	/nfs/dbraw/zinc/55/73/32/499557332.db2.gz	MZLDXVOYIQZCOJ-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(F)cc(Br)c1[O-]	ZINC000436889619	501227956	/nfs/dbraw/zinc/22/79/56/501227956.db2.gz	RSLOHFVOEMLINC-UHFFFAOYSA-N	-2	0	371.118	3.160	20	5		FGBDRL
Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1	ZINC000476405453	502481256	/nfs/dbraw/zinc/48/12/56/502481256.db2.gz	BDOUBXLHDFEAIT-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000547938065	504266169	/nfs/dbraw/zinc/26/61/69/504266169.db2.gz	LWZOYBQXZMZKAH-SECBINFHSA-N	-2	0	370.408	3.035	20	5		FGBDRL
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000324046794	498824027	/nfs/dbraw/zinc/82/40/27/498824027.db2.gz	STDVLAUGYQLLRC-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(=O)[O-]	ZINC000391652659	499557385	/nfs/dbraw/zinc/55/73/85/499557385.db2.gz	LJCOTORUCMUOMW-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CCCOc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000508245375	503462253	/nfs/dbraw/zinc/46/22/53/503462253.db2.gz	CGKRLVGKYYVOCG-UHFFFAOYSA-N	-2	0	366.395	3.198	20	5		FGBDRL
O=C([O-])c1c([N-]S(=O)(=O)c2cccc3ccccc32)cccc1[N+](=O)[O-]	ZINC000548216918	504370180	/nfs/dbraw/zinc/37/01/80/504370180.db2.gz	IOKSYLRMTIXYLV-UHFFFAOYSA-N	-2	0	372.358	3.247	20	5		FGBDRL
Cc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])ccc1[N+](=O)[O-]	ZINC000609984862	507062938	/nfs/dbraw/zinc/06/29/38/507062938.db2.gz	IUSPNQZZPBBPHZ-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000509551351	502933715	/nfs/dbraw/zinc/93/37/15/502933715.db2.gz	AUVLDHMGQAYASG-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000523959382	714261743	/nfs/dbraw/zinc/26/17/43/714261743.db2.gz	ZCCHOKDBLPGJDD-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-]	ZINC000324974064	498832764	/nfs/dbraw/zinc/83/27/64/498832764.db2.gz	QLLOOFKPBVUOCX-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
O=C([O-])c1ccccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC000377586117	499707350	/nfs/dbraw/zinc/70/73/50/499707350.db2.gz	WIFSSPUODYUSTL-UHFFFAOYSA-N	-2	0	370.361	3.018	20	5		FGBDRL
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000512958240	502822097	/nfs/dbraw/zinc/82/20/97/502822097.db2.gz	DOLZRZQMBZZGHH-UHFFFAOYSA-N	-2	0	364.379	3.217	20	5		FGBDRL
CC(C)COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000603983761	506679427	/nfs/dbraw/zinc/67/94/27/506679427.db2.gz	UVBUBNBKWNQMBK-UHFFFAOYSA-N	-2	0	366.395	3.136	20	5		FGBDRL
C/C=C/c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000580001199	505659476	/nfs/dbraw/zinc/65/94/76/505659476.db2.gz	QSXBYVKIZQLZHY-NSCUHMNNSA-N	-2	0	362.363	3.127	20	5		FGBDRL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-]	ZINC000324973098	498833230	/nfs/dbraw/zinc/83/32/30/498833230.db2.gz	QFEZNNIYJNQHNL-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1C	ZINC000327317188	498856215	/nfs/dbraw/zinc/85/62/15/498856215.db2.gz	SZEDWWISGATQPJ-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
CC(C)n1ncc2c1nc(/C=C\c1ccc([O-])c([N+](=O)[O-])c1)cc2C(=O)[O-]	ZINC000562289075	504773872	/nfs/dbraw/zinc/77/38/72/504773872.db2.gz	OKCQUQRCIPSPEV-HYXAFXHYSA-N	-2	0	368.349	3.495	20	5		FGBDRL
O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	ZINC000740713265	602645840	/nfs/dbraw/zinc/64/58/40/602645840.db2.gz	TVJGOGWIXAOGAX-UHFFFAOYSA-N	-2	0	371.758	3.139	20	5		FGBDRL
O=[N+]([O-])c1ccc([O-])c([N-]S(=O)(=O)/C=C\c2cccc(Cl)c2)c1	ZINC000768862752	723670035	/nfs/dbraw/zinc/67/00/35/723670035.db2.gz	YSHKIAFVBZLDNZ-SREVYHEPSA-N	-2	0	354.771	3.366	20	5		FGBDRL
Cc1ccc2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c([O-])cc3C)c2n1	ZINC000156964176	496375720	/nfs/dbraw/zinc/37/57/20/496375720.db2.gz	QUDNOIZSVXGRNB-UHFFFAOYSA-N	-2	0	373.390	3.266	20	5		FGBDRL
Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cccc1C(=O)[O-]	ZINC000324913934	498831035	/nfs/dbraw/zinc/83/10/35/498831035.db2.gz	QJSFOBOIQAXAAW-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000511295496	503295002	/nfs/dbraw/zinc/29/50/02/503295002.db2.gz	KIVQJNMKHBPJBV-UHFFFAOYSA-N	-2	0	364.379	3.217	20	5		FGBDRL
Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C(=O)[O-])c1	ZINC000507549622	503319905	/nfs/dbraw/zinc/31/99/05/503319905.db2.gz	KSVNCNUZWIZCCH-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2NC(=O)[O-])c1C	ZINC000740096327	602653465	/nfs/dbraw/zinc/65/34/65/602653465.db2.gz	DBTRDEBSIMMUAU-UHFFFAOYSA-N	-2	0	365.367	3.102	20	5		FGBDRL
O=C([O-])Nc1ccc(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000834255918	605370462	/nfs/dbraw/zinc/37/04/62/605370462.db2.gz	MLZSKNAZOMZUJR-UHFFFAOYSA-N	-2	0	365.729	3.225	20	5		FGBDRL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1C	ZINC000327245662	498853932	/nfs/dbraw/zinc/85/39/32/498853932.db2.gz	NOPRDPGQUFXBMV-UHFFFAOYSA-N	-2	0	364.379	3.019	20	5		FGBDRL
Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC000471125750	501928172	/nfs/dbraw/zinc/92/81/72/501928172.db2.gz	UXACKUFTLJTFKQ-UHFFFAOYSA-N	-2	0	370.770	3.056	20	5		FGBDRL