smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000324234124	498826272	/nfs/dbraw/zinc/82/62/72/498826272.db2.gz	YIJONWGFSAEAKQ-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1C(=O)[O-]	ZINC000324847141	498831111	/nfs/dbraw/zinc/83/11/11/498831111.db2.gz	DXULSGONAPMATA-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)sc1C(=O)[O-]	ZINC000325560548	498837576	/nfs/dbraw/zinc/83/75/76/498837576.db2.gz	GQLHIRFLOLUHSV-UHFFFAOYSA-N	-1	2	370.408	3.081	20	5		FGBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)cc1C	ZINC000392244486	499558418	/nfs/dbraw/zinc/55/84/18/499558418.db2.gz	ODBFUWUXQZLNQU-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1=NN(c2ccccc2)CC1=O	ZINC000436897052	501229099	/nfs/dbraw/zinc/22/90/99/501229099.db2.gz	QBRXDPITTSPKQU-UHFFFAOYSA-N	-1	2	374.740	3.097	20	5		FGBDLM
O=C([O-])N[C@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1	ZINC000834139111	605713010	/nfs/dbraw/zinc/71/30/10/605713010.db2.gz	YRLUXITWUMLVNK-CYBMUJFWSA-N	-1	2	359.338	3.028	20	5		FGBDLM
Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000548533781	504479616	/nfs/dbraw/zinc/47/96/16/504479616.db2.gz	JPSPAYJAJLQNLG-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
O=C([O-])c1cc(NC(=O)c2cc(F)c(Cl)nc2Cl)cc([N+](=O)[O-])c1	ZINC000833300527	600975130	/nfs/dbraw/zinc/97/51/30/600975130.db2.gz	PXHWHHQYLHXWKK-UHFFFAOYSA-N	-1	2	374.111	3.386	20	5		FGBDLM
C[C@@H](Sc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)[O-]	ZINC000833544001	604894502	/nfs/dbraw/zinc/89/45/02/604894502.db2.gz	CTEKITYBKNYCEA-SECBINFHSA-N	-1	2	362.363	3.118	20	5		FGBDLM
Cc1c(CC(=O)Nc2nc(-c3ccccc3F)n[nH]2)cccc1[N+](=O)[O-]	ZINC000161334012	496154204	/nfs/dbraw/zinc/15/42/04/496154204.db2.gz	ADMCWARHHUSELL-UHFFFAOYSA-N	-1	2	355.329	3.009	20	5		FGBDLM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(Br)c1O	ZINC000776200165	724117729	/nfs/dbraw/zinc/11/77/29/724117729.db2.gz	QIWXUNRJLHHQQQ-UHFFFAOYSA-N	-1	2	353.128	3.021	20	5		FGBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)cc1C	ZINC000740100904	602645685	/nfs/dbraw/zinc/64/56/85/602645685.db2.gz	ZAJSIZXIIWMRDN-UHFFFAOYSA-N	-1	2	365.367	3.102	20	5		FGBDLM
Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000323895399	498824833	/nfs/dbraw/zinc/82/48/33/498824833.db2.gz	XTGMIUWNTVNQSD-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c1C	ZINC000481617823	501834589	/nfs/dbraw/zinc/83/45/89/501834589.db2.gz	XWZXMAWWBWLNEE-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000507594824	503329010	/nfs/dbraw/zinc/32/90/10/503329010.db2.gz	FIVFXSQPOFNUME-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
CCOC(=O)C1CCC([N@H+](CC)Cc2cc(O)ccc2[N+](=O)[O-])CC1	ZINC000549823563	504907938	/nfs/dbraw/zinc/90/79/38/504907938.db2.gz	CBJKXADVQZXXCB-UHFFFAOYSA-N	-1	2	350.415	3.244	20	5		FGBDLM
C[C@H](Sc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)[O-]	ZINC000833544002	604894569	/nfs/dbraw/zinc/89/45/69/604894569.db2.gz	CTEKITYBKNYCEA-VIFPVBQESA-N	-1	2	362.363	3.118	20	5		FGBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)cc1C	ZINC000327255621	498854437	/nfs/dbraw/zinc/85/44/37/498854437.db2.gz	AOMFEWOKSGMIEK-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc2cc([N+](=O)[O-])ccc2s1	ZINC000366597929	498996612	/nfs/dbraw/zinc/99/66/12/498996612.db2.gz	ALDQSGDXAJZMKY-UHFFFAOYSA-N	-1	2	366.362	3.242	20	5		FGBDLM
O=C([O-])c1nc(/C=C/c2ccc([N+](=O)[O-])c(O)c2)sc1Br	ZINC000486001840	502014776	/nfs/dbraw/zinc/01/47/76/502014776.db2.gz	IBXLYUAFWCXLKR-DUXPYHPUSA-N	-1	2	371.168	3.388	20	5		FGBDLM
Cc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000479178574	502183951	/nfs/dbraw/zinc/18/39/51/502183951.db2.gz	ATOOYNLHJJXZQJ-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cc(F)cc([N+](=O)[O-])c1	ZINC000609441854	506881117	/nfs/dbraw/zinc/88/11/17/506881117.db2.gz	NGYFJERVCLIDLW-UHFFFAOYSA-N	-1	2	361.720	3.425	20	5		FGBDLM
Cc1cccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1C(=O)[O-]	ZINC000577159472	505676075	/nfs/dbraw/zinc/67/60/75/505676075.db2.gz	CGTWSTITIVITHG-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000476393272	502477727	/nfs/dbraw/zinc/47/77/27/502477727.db2.gz	QNIYOXXOKAWMRG-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000507566908	503324239	/nfs/dbraw/zinc/32/42/39/503324239.db2.gz	OTSSDEANLPNFCN-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
O=C(Nc1n[nH]c(C2CCC2)n1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]	ZINC000294991638	498873682	/nfs/dbraw/zinc/87/36/82/498873682.db2.gz	QMBXMJDNVXYDKX-UHFFFAOYSA-N	-1	2	355.276	3.252	20	5		FGBDLM
O=C([O-])c1nc(/C=C/c2ccc(O)c([N+](=O)[O-])c2)sc1Br	ZINC000436932026	500573573	/nfs/dbraw/zinc/57/35/73/500573573.db2.gz	MDOOCXUJIJDXMA-DUXPYHPUSA-N	-1	2	371.168	3.388	20	5		FGBDLM
Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000562310850	504780475	/nfs/dbraw/zinc/78/04/75/504780475.db2.gz	JPDWQBQRSOOKNS-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
C[C@@H](C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000574894672	505877623	/nfs/dbraw/zinc/87/76/23/505877623.db2.gz	LQJJOTBVNCZNRV-SECBINFHSA-N	-1	2	373.319	3.400	20	5		FGBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)[O-]	ZINC000392157550	499558310	/nfs/dbraw/zinc/55/83/10/499558310.db2.gz	PHZSTNNSCHPUIH-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000507621625	503333581	/nfs/dbraw/zinc/33/35/81/503333581.db2.gz	ONRDTWUEPPPCNN-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1sc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)cc1[N+](=O)[O-]	ZINC000515947318	503423869	/nfs/dbraw/zinc/42/38/69/503423869.db2.gz	MCGTUYLGBAGSGC-UHFFFAOYSA-N	-1	2	370.408	3.081	20	5		FGBDLM
Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000520038006	504402847	/nfs/dbraw/zinc/40/28/47/504402847.db2.gz	VISLNVPBPGDSND-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21	ZINC000549920944	504934993	/nfs/dbraw/zinc/93/49/93/504934993.db2.gz	BFJVOCSXDRLLNT-HNNXBMFYSA-N	-1	2	352.394	3.315	20	5		FGBDLM
Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000507580128	503325970	/nfs/dbraw/zinc/32/59/70/503325970.db2.gz	BENSJYIIVOFTPC-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000324217001	498826034	/nfs/dbraw/zinc/82/60/34/498826034.db2.gz	VRLZLXDQNGORHL-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000821609876	729101194	/nfs/dbraw/zinc/10/11/94/729101194.db2.gz	PQHTXFPTBJJOLW-UHFFFAOYSA-N	-1	2	358.789	3.060	20	5		FGBDLM
Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000324448414	498829380	/nfs/dbraw/zinc/82/93/80/498829380.db2.gz	FSGCMHNNGNWCGY-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000324693065	498830720	/nfs/dbraw/zinc/83/07/20/498830720.db2.gz	RGONOJLVVCCHOL-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c1[N+](=O)[O-]	ZINC000479184636	502186756	/nfs/dbraw/zinc/18/67/56/502186756.db2.gz	JFKCUNGWISCTSI-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
CC(C)n1ncc2c1nc(/C=C\c1ccc([N+](=O)[O-])c(O)c1)cc2C(=O)[O-]	ZINC000566697090	505246886	/nfs/dbraw/zinc/24/68/86/505246886.db2.gz	KOJDDEBOBBTOND-HYXAFXHYSA-N	-1	2	368.349	3.495	20	5		FGBDLM
C[C@H](C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cccc([N+](=O)[O-])c1	ZINC000574894673	505877392	/nfs/dbraw/zinc/87/73/92/505877392.db2.gz	LQJJOTBVNCZNRV-VIFPVBQESA-N	-1	2	373.319	3.400	20	5		FGBDLM
CCCc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)s1	ZINC000486125375	502055617	/nfs/dbraw/zinc/05/56/17/502055617.db2.gz	SIOLSIWOBUKXBH-UHFFFAOYSA-N	-1	2	371.440	3.127	20	5		FGBDLM
Cc1sc(S(=O)(=O)Nc2cc(C)cc(C)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000466959523	502739962	/nfs/dbraw/zinc/73/99/62/502739962.db2.gz	KPIPDXYAOIOWSC-UHFFFAOYSA-N	-1	2	370.408	3.081	20	5		FGBDLM
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1	ZINC000478324440	501943536	/nfs/dbraw/zinc/94/35/36/501943536.db2.gz	IMZWTNTUKBULOY-UHFFFAOYSA-N	-1	2	359.292	3.219	20	5		FGBDLM
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c([N+](=O)[O-])c1	ZINC000509585961	502941893	/nfs/dbraw/zinc/94/18/93/502941893.db2.gz	GNTYNYWAJHOWJT-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1cc(C)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000327440086	498858512	/nfs/dbraw/zinc/85/85/12/498858512.db2.gz	UHTIXTSFYFWJTH-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000548212337	504369346	/nfs/dbraw/zinc/36/93/46/504369346.db2.gz	VBUQKBWSDWJSPM-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1	ZINC000545932926	504644469	/nfs/dbraw/zinc/64/44/69/504644469.db2.gz	SGFNKLPGDZJGCN-UHFFFAOYSA-N	-1	2	370.408	3.026	20	5		FGBDLM
C[C@](CC(=O)[O-])(C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CCCCC1	ZINC000523296824	714225819	/nfs/dbraw/zinc/22/58/19/714225819.db2.gz	MKACPTYUGMWFJE-QGZVFWFLSA-N	-1	2	350.371	3.300	20	5		FGBDLM
Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-]	ZINC000572064792	505880670	/nfs/dbraw/zinc/88/06/70/505880670.db2.gz	VRLCEQHUKQTEHO-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C	ZINC000481627642	501836180	/nfs/dbraw/zinc/83/61/80/501836180.db2.gz	ZRBLYBLHLCGSBT-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+]1Cc1ccccc1	ZINC000175272499	496316740	/nfs/dbraw/zinc/31/67/40/496316740.db2.gz	CFCZZXOLBQEEKJ-RHSMWYFYSA-N	-1	2	369.421	3.083	20	5		FGBDLM
O=C([O-])c1nc(/C=C\c2ccc(O)c([N+](=O)[O-])c2)sc1Br	ZINC000436932030	500573129	/nfs/dbraw/zinc/57/31/29/500573129.db2.gz	MDOOCXUJIJDXMA-RQOWECAXSA-N	-1	2	371.168	3.388	20	5		FGBDLM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1[N+](=O)[O-]	ZINC000479192178	502188717	/nfs/dbraw/zinc/18/87/17/502188717.db2.gz	UMFWSDOAGRXSNP-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1c(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cccc1C(=O)[O-]	ZINC000476777836	502583758	/nfs/dbraw/zinc/58/37/58/502583758.db2.gz	SBIFRLDRQMRYPA-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc(C(=O)[O-])c1	ZINC000507587648	503327571	/nfs/dbraw/zinc/32/75/71/503327571.db2.gz	ZVQAGTVXRVACLB-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000324926522	498833036	/nfs/dbraw/zinc/83/30/36/498833036.db2.gz	MMEMOABFVJXLNR-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1sc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000466970283	502741607	/nfs/dbraw/zinc/74/16/07/502741607.db2.gz	CCKRXGKVYKEVTD-UHFFFAOYSA-N	-1	2	370.408	3.081	20	5		FGBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(NC(=O)[O-])cc2)c1C	ZINC000830428038	604751748	/nfs/dbraw/zinc/75/17/48/604751748.db2.gz	QOTHVEQLSUNBGB-UHFFFAOYSA-N	-1	2	365.367	3.102	20	5		FGBDLM
C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000547938066	504265711	/nfs/dbraw/zinc/26/57/11/504265711.db2.gz	LWZOYBQXZMZKAH-VIFPVBQESA-N	-1	2	370.408	3.035	20	5		FGBDLM
Cc1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1C(=O)[O-]	ZINC000476738387	502575757	/nfs/dbraw/zinc/57/57/57/502575757.db2.gz	LWIZTGBZGCHNFC-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000604307320	506780419	/nfs/dbraw/zinc/78/04/19/506780419.db2.gz	XHJQWIZSSJHWJU-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
O=C([O-])Nc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000740717176	602653791	/nfs/dbraw/zinc/65/37/91/602653791.db2.gz	TWIYPPCQZXDLKD-UHFFFAOYSA-N	-1	2	371.758	3.139	20	5		FGBDLM
Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)[O-])c1	ZINC000323847438	498823143	/nfs/dbraw/zinc/82/31/43/498823143.db2.gz	LSIONAFOPHNYJL-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1	ZINC000602885544	506338115	/nfs/dbraw/zinc/33/81/15/506338115.db2.gz	XWYYOBSDHVABJF-CQSZACIVSA-N	-1	2	350.378	3.233	20	5		FGBDLM
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c([N+](=O)[O-])c1	ZINC000548533631	504479609	/nfs/dbraw/zinc/47/96/09/504479609.db2.gz	BQDYTLOLSKLVDD-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
O=C([O-])c1cc(NC(=O)c2ccc(Cl)nc2Cl)cc([N+](=O)[O-])c1	ZINC000833300129	600975187	/nfs/dbraw/zinc/97/51/87/600975187.db2.gz	LHRYUSBYMZHVFD-UHFFFAOYSA-N	-1	2	356.121	3.247	20	5		FGBDLM
CCc1ccccc1-n1cc([O-])c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1	ZINC000439049947	500850650	/nfs/dbraw/zinc/85/06/50/500850650.db2.gz	APLBXHLTPDXCDR-UHFFFAOYSA-N	-1	2	368.349	3.006	20	5		FGBDLM
O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21	ZINC000549920945	504934636	/nfs/dbraw/zinc/93/46/36/504934636.db2.gz	BFJVOCSXDRLLNT-OAHLLOKOSA-N	-1	2	352.394	3.315	20	5		FGBDLM
O=C([O-])Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1	ZINC000834256625	605713724	/nfs/dbraw/zinc/71/37/24/605713724.db2.gz	RIEGUYSNUHSABA-UHFFFAOYSA-N	-1	2	351.702	3.296	20	5		FGBDLM
COc1cc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)ccc1[N+](=O)[O-]	ZINC000101643210	495088718	/nfs/dbraw/zinc/08/87/18/495088718.db2.gz	OUVIPRQFYPJSEV-UHFFFAOYSA-N	-1	2	373.756	3.294	20	5		FGBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1C	ZINC000481570814	501818552	/nfs/dbraw/zinc/81/85/52/501818552.db2.gz	OYFQYUZTXZPBIU-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)c1[N+](=O)[O-]	ZINC000479189617	502187122	/nfs/dbraw/zinc/18/71/22/502187122.db2.gz	QUCXGIUQHFSAEV-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000125200551	495405248	/nfs/dbraw/zinc/40/52/48/495405248.db2.gz	FBEQWLCEASAQLO-QGZVFWFLSA-N	-1	2	369.421	3.037	20	5		FGBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)cc1C	ZINC000392891187	499559655	/nfs/dbraw/zinc/55/96/55/499559655.db2.gz	ZBOPVCVHVAKRQL-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])c1C	ZINC000548197132	504367204	/nfs/dbraw/zinc/36/72/04/504367204.db2.gz	VCJPNTKKDILURO-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000475731828	502269026	/nfs/dbraw/zinc/26/90/26/502269026.db2.gz	FSNOQDXFMXSSLU-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
CC(C)n1ncc2c1nc(/C=C/c1ccc([N+](=O)[O-])c(O)c1)cc2C(=O)[O-]	ZINC000566697089	505246005	/nfs/dbraw/zinc/24/60/05/505246005.db2.gz	KOJDDEBOBBTOND-HWKANZROSA-N	-1	2	368.349	3.495	20	5		FGBDLM
O=C([O-])N[C@@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1	ZINC000834139114	605713117	/nfs/dbraw/zinc/71/31/17/605713117.db2.gz	YRLUXITWUMLVNK-ZDUSSCGKSA-N	-1	2	359.338	3.028	20	5		FGBDLM
Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000324068136	498824418	/nfs/dbraw/zinc/82/44/18/498824418.db2.gz	XQFNYYZGZYBHHJ-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)cc1C	ZINC000327318226	498855606	/nfs/dbraw/zinc/85/56/06/498855606.db2.gz	YRUNYJSKPFVWAL-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
O=C([O-])c1nc(/C=C\c2ccc([N+](=O)[O-])c(O)c2)sc1Br	ZINC000486001857	502014998	/nfs/dbraw/zinc/01/49/98/502014998.db2.gz	IBXLYUAFWCXLKR-RQOWECAXSA-N	-1	2	371.168	3.388	20	5		FGBDLM
CCCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(=O)[O-])c1	ZINC000603977096	506677344	/nfs/dbraw/zinc/67/73/44/506677344.db2.gz	JDNSBFJAVICOMR-UHFFFAOYSA-N	-1	2	364.379	3.046	20	5		FGBDLM
Cc1ccccc1C[NH+]1CCC(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1	ZINC000280893939	497938815	/nfs/dbraw/zinc/93/88/15/497938815.db2.gz	ZUJNSUPFFBLVLJ-UHFFFAOYSA-N	-1	2	369.421	3.003	20	5		FGBDLM
Cc1c(CC(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cccc1[N+](=O)[O-]	ZINC000439964102	500960581	/nfs/dbraw/zinc/96/05/81/500960581.db2.gz	VQRUBTYQYYZDRE-UHFFFAOYSA-N	-1	2	373.319	3.148	20	5		FGBDLM
Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000522396854	714186400	/nfs/dbraw/zinc/18/64/00/714186400.db2.gz	XFSSHMWTNNKHFS-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000326549585	498844212	/nfs/dbraw/zinc/84/42/12/498844212.db2.gz	NMDWPPDFENLJLC-UHFFFAOYSA-N	-1	2	370.408	3.026	20	5		FGBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)c1C	ZINC000480714079	502651050	/nfs/dbraw/zinc/65/10/50/502651050.db2.gz	OKKFLNCGDNIOBD-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000484811736	502745057	/nfs/dbraw/zinc/74/50/57/502745057.db2.gz	SCXKPQCGJPFIGY-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])c1C	ZINC000547883554	504257375	/nfs/dbraw/zinc/25/73/75/504257375.db2.gz	BNBITECGYPPVAE-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000609985297	507062647	/nfs/dbraw/zinc/06/26/47/507062647.db2.gz	UJEKNHJVJBGICQ-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
CC(C)n1ncc2c1nc(/C=C/c1ccc(O)c([N+](=O)[O-])c1)cc2C(=O)[O-]	ZINC000562289074	504773997	/nfs/dbraw/zinc/77/39/97/504773997.db2.gz	OKCQUQRCIPSPEV-HWKANZROSA-N	-1	2	368.349	3.495	20	5		FGBDLM
C[C@@](CC(=O)[O-])(C(=O)Nc1cc([N+](=O)[O-])ccc1O)C1CCCCC1	ZINC000523296823	714225815	/nfs/dbraw/zinc/22/58/15/714225815.db2.gz	MKACPTYUGMWFJE-KRWDZBQOSA-N	-1	2	350.371	3.300	20	5		FGBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-]	ZINC000324943752	498832799	/nfs/dbraw/zinc/83/27/99/498832799.db2.gz	RMVZSDCYUOVKKK-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000391779607	499557334	/nfs/dbraw/zinc/55/73/34/499557334.db2.gz	MZLDXVOYIQZCOJ-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
O=c1[nH]ccc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-]	ZINC000596118847	506266604	/nfs/dbraw/zinc/26/66/04/506266604.db2.gz	GJILNIPXGOFABQ-NSHDSACASA-N	-1	2	364.352	3.050	20	5		FGBDLM
Cc1cc(C)c(C(=O)[O-])c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1	ZINC000476405453	502481265	/nfs/dbraw/zinc/48/12/65/502481265.db2.gz	BDOUBXLHDFEAIT-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1	ZINC000547938065	504266175	/nfs/dbraw/zinc/26/61/75/504266175.db2.gz	LWZOYBQXZMZKAH-SECBINFHSA-N	-1	2	370.408	3.035	20	5		FGBDLM
CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000125200738	495404800	/nfs/dbraw/zinc/40/48/00/495404800.db2.gz	FBEQWLCEASAQLO-KRWDZBQOSA-N	-1	2	369.421	3.037	20	5		FGBDLM
Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000324046794	498824033	/nfs/dbraw/zinc/82/40/33/498824033.db2.gz	STDVLAUGYQLLRC-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C(=O)[O-]	ZINC000391652659	499557387	/nfs/dbraw/zinc/55/73/87/499557387.db2.gz	LJCOTORUCMUOMW-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000509551351	502933720	/nfs/dbraw/zinc/93/37/20/502933720.db2.gz	AUVLDHMGQAYASG-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
O=C([O-])c1ccccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1	ZINC000377586117	499707352	/nfs/dbraw/zinc/70/73/52/499707352.db2.gz	WIFSSPUODYUSTL-UHFFFAOYSA-N	-1	2	370.361	3.018	20	5		FGBDLM
CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000512958240	502822100	/nfs/dbraw/zinc/82/21/00/502822100.db2.gz	DOLZRZQMBZZGHH-UHFFFAOYSA-N	-1	2	364.379	3.217	20	5		FGBDLM
O=c1[nH]ccc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1[N+](=O)[O-]	ZINC000596118846	506266508	/nfs/dbraw/zinc/26/65/08/506266508.db2.gz	GJILNIPXGOFABQ-LLVKDONJSA-N	-1	2	364.352	3.050	20	5		FGBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cc1C	ZINC000327317188	498856218	/nfs/dbraw/zinc/85/62/18/498856218.db2.gz	SZEDWWISGATQPJ-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM
CC(C)n1ncc2c1nc(/C=C\c1ccc(O)c([N+](=O)[O-])c1)cc2C(=O)[O-]	ZINC000562289075	504773876	/nfs/dbraw/zinc/77/38/76/504773876.db2.gz	OKCQUQRCIPSPEV-HYXAFXHYSA-N	-1	2	368.349	3.495	20	5		FGBDLM
Cc1c(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cccc1C(=O)[O-]	ZINC000324913934	498831047	/nfs/dbraw/zinc/83/10/47/498831047.db2.gz	QJSFOBOIQAXAAW-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1	ZINC000602885543	506336889	/nfs/dbraw/zinc/33/68/89/506336889.db2.gz	XWYYOBSDHVABJF-AWEZNQCLSA-N	-1	2	350.378	3.233	20	5		FGBDLM
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(C(=O)[O-])c1	ZINC000507549622	503319908	/nfs/dbraw/zinc/31/99/08/503319908.db2.gz	KSVNCNUZWIZCCH-UHFFFAOYSA-N	-1	2	370.770	3.056	20	5		FGBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])cc1C	ZINC000327245662	498853941	/nfs/dbraw/zinc/85/39/41/498853941.db2.gz	NOPRDPGQUFXBMV-UHFFFAOYSA-N	-1	2	364.379	3.019	20	5		FGBDLM