smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1sc(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-]	ZINC000595382402	450096944	/nfs/dbraw/zinc/09/69/44/450096944.db2.gz	HHMAXALELULCKF-ZETCQYMHSA-N	-1	2	330.391	1.738	20	5		EDBDLM
Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000362281500	446303559	/nfs/dbraw/zinc/30/35/59/446303559.db2.gz	YKCYWNACDKAISY-UHFFFAOYSA-N	-1	2	340.317	1.434	20	5		EDBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cs1	ZINC000753523382	579064819	/nfs/dbraw/zinc/06/48/19/579064819.db2.gz	XWYKHUQWHMRQNN-UHFFFAOYSA-N	-1	2	344.326	1.861	20	5		EDBDLM
COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(=O)[O-])C(C)C	ZINC000820775158	593887619	/nfs/dbraw/zinc/88/76/19/593887619.db2.gz	PXTALNVGMCTSLK-UHFFFAOYSA-N	-1	2	325.321	1.337	20	5		EDBDLM
CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@H]2C1	ZINC000355328885	150219884	/nfs/dbraw/zinc/21/98/84/150219884.db2.gz	YUNBBVJJVPSVGD-JSGCOSHPSA-N	-1	2	335.360	1.236	20	5		EDBDLM
Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)nn1C	ZINC000157389040	287683277	/nfs/dbraw/zinc/68/32/77/287683277.db2.gz	SCRXFJVNTDCWGN-UHFFFAOYSA-N	-1	2	326.334	1.452	20	5		EDBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H]1CCCCO1	ZINC000274923872	268240300	/nfs/dbraw/zinc/24/03/00/268240300.db2.gz	NJODMHPNQHVDIV-JTQLQIEISA-N	-1	2	344.345	1.604	20	5		EDBDLM
Cc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000432205043	305089028	/nfs/dbraw/zinc/08/90/28/305089028.db2.gz	WVZVUFVLHYPGES-UHFFFAOYSA-N	-1	2	338.301	1.192	20	5		EDBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccon1	ZINC000547871492	306114201	/nfs/dbraw/zinc/11/42/01/306114201.db2.gz	IQLUPDJXGWRTTB-UHFFFAOYSA-N	-1	2	327.274	1.223	20	5		EDBDLM
O=C([O-])c1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000740248967	579305506	/nfs/dbraw/zinc/30/55/06/579305506.db2.gz	OKGVGILBKIVPCP-UHFFFAOYSA-N	-1	2	329.315	1.550	20	5		EDBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1csnc1C(=O)[O-]	ZINC000832976087	594788514	/nfs/dbraw/zinc/78/85/14/594788514.db2.gz	OEELFWYWVCJKKH-UHFFFAOYSA-N	-1	2	343.342	1.859	20	5		EDBDLM
O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436613267	305162420	/nfs/dbraw/zinc/16/24/20/305162420.db2.gz	UHOKWIXCAZMINX-UHFFFAOYSA-N	-1	2	343.324	1.888	20	5		EDBDLM
O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1	ZINC000577282600	321639605	/nfs/dbraw/zinc/63/96/05/321639605.db2.gz	OHROAFSKEZDUSX-QMMMGPOBSA-N	-1	2	333.304	1.144	20	5		EDBDLM
O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000356981930	445359626	/nfs/dbraw/zinc/35/96/26/445359626.db2.gz	OIUBQZDMWXAGSY-UHFFFAOYSA-N	-1	2	342.271	1.234	20	5		EDBDLM
CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCC(NC(=O)[O-])CC1	ZINC000827938467	594306548	/nfs/dbraw/zinc/30/65/48/594306548.db2.gz	LLIFPEGTUWNSME-UHFFFAOYSA-N	-1	2	337.332	1.951	20	5		EDBDLM
O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1O	ZINC000320555356	303764907	/nfs/dbraw/zinc/76/49/07/303764907.db2.gz	DQPMZOUKNSAZAC-UHFFFAOYSA-N	-1	2	338.297	1.799	20	5		EDBDLM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1	ZINC000447345931	305278676	/nfs/dbraw/zinc/27/86/76/305278676.db2.gz	SHHHNMYHIHMNPQ-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
CCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1	ZINC000348451491	445295891	/nfs/dbraw/zinc/29/58/91/445295891.db2.gz	RSYGZUOJIJXNOD-UHFFFAOYSA-N	-1	2	340.317	1.310	20	5		EDBDLM
CCn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cn1	ZINC000361985553	446130254	/nfs/dbraw/zinc/13/02/54/446130254.db2.gz	MYCQDXSIPSGNFQ-UHFFFAOYSA-N	-1	2	340.317	1.310	20	5		EDBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCOCC1CC1	ZINC000591741372	448479565	/nfs/dbraw/zinc/47/95/65/448479565.db2.gz	USEZUGGDUKVUHC-UHFFFAOYSA-N	-1	2	344.345	1.461	20	5		EDBDLM
O=C([O-])N1CCC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)CC1	ZINC000834091096	595012080	/nfs/dbraw/zinc/01/20/80/595012080.db2.gz	CJJCIIJRTCTDTM-UHFFFAOYSA-N	-1	2	349.343	1.907	20	5		EDBDLM
CO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1	ZINC000594696478	449630352	/nfs/dbraw/zinc/63/03/52/449630352.db2.gz	ONSPZJDUQDVNBO-TVQRCGJNSA-N	-1	2	346.361	1.094	20	5		EDBDLM
O=C([O-])N1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1	ZINC000740426023	579344812	/nfs/dbraw/zinc/34/48/12/579344812.db2.gz	VNSSSNWFPLLAMF-SNVBAGLBSA-N	-1	2	337.332	1.810	20	5		EDBDLM
CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@@H]1NC(=O)[O-]	ZINC000833848382	594948460	/nfs/dbraw/zinc/94/84/60/594948460.db2.gz	BNWZCIPPXOQSQQ-ONGXEEELSA-N	-1	2	337.332	1.809	20	5		EDBDLM
CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1	ZINC000355328889	150220241	/nfs/dbraw/zinc/22/02/41/150220241.db2.gz	YUNBBVJJVPSVGD-OCCSQVGLSA-N	-1	2	335.360	1.236	20	5		EDBDLM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnoc2C2CC2)ccc1[O-]	ZINC000414376706	319325053	/nfs/dbraw/zinc/32/50/53/319325053.db2.gz	AHHUIHAOKMQQPQ-UHFFFAOYSA-N	-1	2	325.302	1.967	20	5		EDBDLM
CCn1nccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000349454552	445592749	/nfs/dbraw/zinc/59/27/49/445592749.db2.gz	FUVOGEWGSJSJGM-UHFFFAOYSA-N	-1	2	340.317	1.310	20	5		EDBDLM
O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000832516635	594755686	/nfs/dbraw/zinc/75/56/86/594755686.db2.gz	XKBDFNMNESLRGY-QWRGUYRKSA-N	-1	2	337.332	1.857	20	5		EDBDLM
Cc1nn(C)cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000352437014	162182180	/nfs/dbraw/zinc/18/21/80/162182180.db2.gz	LASCFIZNJBGUQB-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1O	ZINC000436648203	305163631	/nfs/dbraw/zinc/16/36/31/305163631.db2.gz	MTZKWQVFFGTLKO-UHFFFAOYSA-N	-1	2	344.326	1.861	20	5		EDBDLM
Cc1cc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000832904570	594784227	/nfs/dbraw/zinc/78/42/27/594784227.db2.gz	SZGYADMAZBRRKB-UHFFFAOYSA-N	-1	2	337.313	1.797	20	5		EDBDLM
O=C([O-])c1c(NS(=O)(=O)c2cncc(F)c2)cccc1[N+](=O)[O-]	ZINC000547901126	320848414	/nfs/dbraw/zinc/84/84/14/320848414.db2.gz	MINCSAKARHGYFG-UHFFFAOYSA-N	-1	2	341.276	1.628	20	5		EDBDLM
Cc1nc(C=Cc2ccc(O)c([N+](=O)[O-])c2)[nH]c(=O)c1CC(=O)[O-]	ZINC000436814991	305167724	/nfs/dbraw/zinc/16/77/24/305167724.db2.gz	JSAFNXLRXIVCJD-HWKANZROSA-N	-1	2	331.284	1.902	20	5		EDBDLM
CCc1onc(C)c1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000134764453	442521250	/nfs/dbraw/zinc/52/12/50/442521250.db2.gz	ZWEVZONHHWVCKA-UHFFFAOYSA-N	-1	2	327.318	1.960	20	5		EDBDLM
C[C@@H]1OCC[C@@H]1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000514732956	448195704	/nfs/dbraw/zinc/19/57/04/448195704.db2.gz	DUAPJDAANMAARK-CPCISQLKSA-N	-1	2	330.318	1.212	20	5		EDBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1	ZINC000320568658	444330687	/nfs/dbraw/zinc/33/06/87/444330687.db2.gz	WKHKTSSJXHWOCB-UHFFFAOYSA-N	-1	2	341.301	1.431	20	5		EDBDLM
O=C([O-])NCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cs1	ZINC000834249421	595068866	/nfs/dbraw/zinc/06/88/66/595068866.db2.gz	RJUAZCONLWHBKT-UHFFFAOYSA-N	-1	2	338.301	1.777	20	5		EDBDLM
CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])[C@@H]2C1	ZINC000355328893	150220002	/nfs/dbraw/zinc/22/00/02/150220002.db2.gz	YUNBBVJJVPSVGD-TZMCWYRMSA-N	-1	2	335.360	1.236	20	5		EDBDLM
C[NH+](C)CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1	ZINC000364391573	153225147	/nfs/dbraw/zinc/22/51/47/153225147.db2.gz	DDEOTPOBTURFNL-UHFFFAOYSA-N	-1	2	336.392	1.010	20	5		EDBDLM
Cc1cc(CS(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])on1	ZINC000548221989	306121226	/nfs/dbraw/zinc/12/12/26/306121226.db2.gz	DVROKVJDYPTYOX-UHFFFAOYSA-N	-1	2	341.301	1.531	20	5		EDBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cncc(F)c1	ZINC000320583362	444330845	/nfs/dbraw/zinc/33/08/45/444330845.db2.gz	TWMHFESFUQUQEE-UHFFFAOYSA-N	-1	2	341.276	1.628	20	5		EDBDLM
CCO[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O)C1CC1	ZINC000600634928	449468142	/nfs/dbraw/zinc/46/81/42/449468142.db2.gz	LDCNJRJSISGBDW-ZDUSSCGKSA-N	-1	2	330.362	1.857	20	5		EDBDLM
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1[nH+]ccn1C	ZINC000595384590	450098883	/nfs/dbraw/zinc/09/88/83/450098883.db2.gz	YNYOPNYVSGNOOW-MRVPVSSYSA-N	-1	2	328.325	1.507	20	5		EDBDLM
O=[N+]([O-])c1cnc(N2CCC(c3c[nH+]c[nH]3)CC2)c(-c2nn[nH]n2)c1	ZINC000823647947	594224432	/nfs/dbraw/zinc/22/44/32/594224432.db2.gz	QPWWNEZIJDNGAT-UHFFFAOYSA-N	-1	2	341.335	1.277	20	5		EDBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-]	ZINC000536685245	306025076	/nfs/dbraw/zinc/02/50/76/306025076.db2.gz	IUNYDIYWSKLTQL-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1csnc1C(=O)[O-]	ZINC000832905051	594784310	/nfs/dbraw/zinc/78/43/10/594784310.db2.gz	BJHVJOUYDCCEHS-UHFFFAOYSA-N	-1	2	343.342	1.859	20	5		EDBDLM
O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H]1CCCCO1	ZINC000274923875	268240116	/nfs/dbraw/zinc/24/01/16/268240116.db2.gz	NJODMHPNQHVDIV-SNVBAGLBSA-N	-1	2	344.345	1.604	20	5		EDBDLM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nn1C	ZINC000439046485	305193128	/nfs/dbraw/zinc/19/31/28/305193128.db2.gz	XYXIVEIXIYLUQE-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
Cc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000832956714	594787194	/nfs/dbraw/zinc/78/71/94/594787194.db2.gz	WPLFYQHEJPXXTN-UHFFFAOYSA-N	-1	2	343.342	1.859	20	5		EDBDLM
Cc1n[nH]cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000316299336	318934709	/nfs/dbraw/zinc/93/47/09/318934709.db2.gz	VQQRKOYLRQWVCZ-UHFFFAOYSA-N	-1	2	326.290	1.125	20	5		EDBDLM
CCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)n1	ZINC000594701391	449633978	/nfs/dbraw/zinc/63/39/78/449633978.db2.gz	MGLQLODSWMADGU-UHFFFAOYSA-N	-1	2	326.334	1.626	20	5		EDBDLM
Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-]	ZINC000595384219	450099045	/nfs/dbraw/zinc/09/90/45/450099045.db2.gz	ULCTVYIMJNYBHO-NSHDSACASA-N	-1	2	338.389	1.985	20	5		EDBDLM
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1	ZINC000436774926	320023348	/nfs/dbraw/zinc/02/33/48/320023348.db2.gz	OJLSRLOTRVQOCV-VIFPVBQESA-N	-1	2	333.304	1.492	20	5		EDBDLM
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1[nH+]ccn1C	ZINC000595384591	450098828	/nfs/dbraw/zinc/09/88/28/450098828.db2.gz	YNYOPNYVSGNOOW-QMMMGPOBSA-N	-1	2	328.325	1.507	20	5		EDBDLM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)n1	ZINC000776426386	580417006	/nfs/dbraw/zinc/41/70/06/580417006.db2.gz	IREFZGNYIDMQAT-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000833232754	594810273	/nfs/dbraw/zinc/81/02/73/594810273.db2.gz	KWAOGYKVBXJIDR-LLVKDONJSA-N	-1	2	338.316	1.396	20	5		EDBDLM
O=C([O-])N1CCSC[C@@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000833989598	594982830	/nfs/dbraw/zinc/98/28/30/594982830.db2.gz	YFJXIWXFSSQBQU-VIFPVBQESA-N	-1	2	341.345	1.724	20	5		EDBDLM
Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnn1C	ZINC000362429606	445378044	/nfs/dbraw/zinc/37/80/44/445378044.db2.gz	JTEALGMPLYBMSH-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1	ZINC000436731148	305166611	/nfs/dbraw/zinc/16/66/11/305166611.db2.gz	NYLDJFHRWGSZMW-SNVBAGLBSA-N	-1	2	333.304	1.492	20	5		EDBDLM
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1	ZINC000436731148	305166612	/nfs/dbraw/zinc/16/66/12/305166612.db2.gz	NYLDJFHRWGSZMW-SNVBAGLBSA-N	-1	2	333.304	1.492	20	5		EDBDLM
Cc1nc(C=Cc2ccc(O)c([N+](=O)[O-])c2)[nH]c(=O)c1CC(=O)[O-]	ZINC000436814992	305167756	/nfs/dbraw/zinc/16/77/56/305167756.db2.gz	JSAFNXLRXIVCJD-HYXAFXHYSA-N	-1	2	331.284	1.902	20	5		EDBDLM
Cc1noc(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000548219164	306121138	/nfs/dbraw/zinc/12/11/38/306121138.db2.gz	WEDLAEGXIJAUMB-UHFFFAOYSA-N	-1	2	341.301	1.699	20	5		EDBDLM
O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc2[nH]nnc21	ZINC000163449777	442166748	/nfs/dbraw/zinc/16/67/48/442166748.db2.gz	UZDUDVMOLUBQTK-UHFFFAOYSA-N	-1	2	326.316	1.708	20	5		EDBDLM
C[C@@H]1OCC[C@H]1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000514732959	448195460	/nfs/dbraw/zinc/19/54/60/448195460.db2.gz	DUAPJDAANMAARK-WRWORJQWSA-N	-1	2	330.318	1.212	20	5		EDBDLM
COc1ncccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000346400554	536904298	/nfs/dbraw/zinc/90/42/98/536904298.db2.gz	TZWNBGVNECXHIW-UHFFFAOYSA-N	-1	2	339.329	1.813	20	5		EDBDLM
O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000351834711	445338055	/nfs/dbraw/zinc/33/80/55/445338055.db2.gz	MDARLSVOCUOZIV-UHFFFAOYSA-N	-1	2	342.267	1.896	20	5		EDBDLM
Cc1n[nH]cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000362287375	446306376	/nfs/dbraw/zinc/30/63/76/446306376.db2.gz	UNHCESUBMIJKFH-UHFFFAOYSA-N	-1	2	326.290	1.125	20	5		EDBDLM
O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000834093972	595012353	/nfs/dbraw/zinc/01/23/53/595012353.db2.gz	DLHGBJLAKKVPME-MNOVXSKESA-N	-1	2	335.316	1.657	20	5		EDBDLM
CCn1cc[nH+]c1CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	ZINC000295406988	303214855	/nfs/dbraw/zinc/21/48/55/303214855.db2.gz	HKJCPBOLFGZSEJ-UHFFFAOYSA-N	-1	2	340.361	1.298	20	5		EDBDLM
Cc1cnn(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000517598998	448598671	/nfs/dbraw/zinc/59/86/71/448598671.db2.gz	RCJXBQUALISKKM-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000832516634	594755739	/nfs/dbraw/zinc/75/57/39/594755739.db2.gz	XKBDFNMNESLRGY-MNOVXSKESA-N	-1	2	337.332	1.857	20	5		EDBDLM
CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[C@H]1NC(=O)[O-]	ZINC000833848381	594948493	/nfs/dbraw/zinc/94/84/93/594948493.db2.gz	BNWZCIPPXOQSQQ-MWLCHTKSSA-N	-1	2	337.332	1.809	20	5		EDBDLM
CCc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000337882712	444448143	/nfs/dbraw/zinc/44/81/43/444448143.db2.gz	ZHOBRXHFCQSDHS-UHFFFAOYSA-N	-1	2	341.301	1.644	20	5		EDBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CC=CCC2)c1C	ZINC000280342055	443697821	/nfs/dbraw/zinc/69/78/21/443697821.db2.gz	VUBJSBAILMUMGM-UHFFFAOYSA-N	-1	2	339.417	1.752	20	5		EDBDLM
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1csnc1C(=O)[O-]	ZINC000832958572	594787448	/nfs/dbraw/zinc/78/74/48/594787448.db2.gz	LZUNXZBXGIBPFS-UHFFFAOYSA-N	-1	2	343.342	1.859	20	5		EDBDLM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000339289042	142004793	/nfs/dbraw/zinc/00/47/93/142004793.db2.gz	BQWLHFFPBADUPZ-SECBINFHSA-N	-1	2	333.304	1.144	20	5		EDBDLM
O=C([O-])CCOc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	ZINC000352012989	445438651	/nfs/dbraw/zinc/43/86/51/445438651.db2.gz	FQCKIXRZNXZLDO-ZZXKWVIFSA-N	-1	2	347.283	1.820	20	5		EDBDLM
CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000833505254	594861491	/nfs/dbraw/zinc/86/14/91/594861491.db2.gz	YJGZGTYNPWHPIA-LLVKDONJSA-N	-1	2	326.305	1.251	20	5		EDBDLM
O=C([O-])c1nscc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000833346098	594831203	/nfs/dbraw/zinc/83/12/03/594831203.db2.gz	FGYPFHOKHKSQMP-UHFFFAOYSA-N	-1	2	329.315	1.550	20	5		EDBDLM
O=C([O-])CCOc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1	ZINC000352014392	445439610	/nfs/dbraw/zinc/43/96/10/445439610.db2.gz	PRHVPPHPQLAXKC-PLNGDYQASA-N	-1	2	347.283	1.820	20	5		EDBDLM
O=C([O-])c1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1	ZINC000740164337	579296049	/nfs/dbraw/zinc/29/60/49/579296049.db2.gz	MVUPCLJMHWDOAS-UHFFFAOYSA-N	-1	2	346.295	1.807	20	5		EDBDLM
CC(C)c1ccc(C[N@H+]2CCN3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000332582433	444520114	/nfs/dbraw/zinc/52/01/14/444520114.db2.gz	BBAFTIPEMCXKCC-AWEZNQCLSA-N	-1	2	332.360	1.454	20	5		EDBDLM
O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1C(F)(F)F	ZINC000262476478	304132347	/nfs/dbraw/zinc/13/23/47/304132347.db2.gz	YXLOSJWISVGULR-HTQZYQBOSA-N	-1	2	348.233	1.636	20	5		EDBDLM
O=C(CSc1n[nH]c(=O)[nH]1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000357627101	151090872	/nfs/dbraw/zinc/09/08/72/151090872.db2.gz	ZKOYGYZGIJLNRO-UHFFFAOYSA-N	-1	2	345.724	1.508	20	5		EDBDLM
Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)ccc1[N+](=O)[O-]	ZINC000788130128	579277124	/nfs/dbraw/zinc/27/71/24/579277124.db2.gz	CPAOLEJHIAOKKU-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)nn1C	ZINC000439058429	305193338	/nfs/dbraw/zinc/19/33/38/305193338.db2.gz	RONMHLOQVRVKSN-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
COc1ncc(C)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000356469387	445807816	/nfs/dbraw/zinc/80/78/16/445807816.db2.gz	SXMYQGPCRRPQGG-UHFFFAOYSA-N	-1	2	339.329	1.813	20	5		EDBDLM
Cc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000350302009	445808552	/nfs/dbraw/zinc/80/85/52/445808552.db2.gz	RNESOQJPZPEFLZ-UHFFFAOYSA-N	-1	2	327.274	1.390	20	5		EDBDLM
Cc1cnn(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000349082756	445498814	/nfs/dbraw/zinc/49/88/14/445498814.db2.gz	LBHCHPLXXBVALN-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
O=C([O-])c1nscc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000833346302	594831069	/nfs/dbraw/zinc/83/10/69/594831069.db2.gz	IAGKSUYNHZERQW-UHFFFAOYSA-N	-1	2	347.305	1.689	20	5		EDBDLM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O	ZINC000391369309	303850887	/nfs/dbraw/zinc/85/08/87/303850887.db2.gz	QLEOGVVCKNBOBI-UHFFFAOYSA-N	-1	2	338.297	1.799	20	5		EDBDLM
CCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCN(C(=O)[O-])C1	ZINC000833854786	594949646	/nfs/dbraw/zinc/94/96/46/594949646.db2.gz	YYLAVTCPLLSUCN-NSHDSACASA-N	-1	2	337.332	1.905	20	5		EDBDLM
CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000277446805	273198542	/nfs/dbraw/zinc/19/85/42/273198542.db2.gz	XBDPNOXHUNOSAW-UHFFFAOYSA-N	-1	2	335.238	1.696	20	5		EDBDLM
CCO[N-]C(=O)C1=NN(c2cc(Cl)ccc2[N+](=O)[O-])CC1=O	ZINC000798154445	580988889	/nfs/dbraw/zinc/98/88/89/580988889.db2.gz	JFWSUALLVBQHLU-UHFFFAOYSA-N	-1	2	326.696	1.821	20	5		EDBDLM
CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000280890648	273411580	/nfs/dbraw/zinc/41/15/80/273411580.db2.gz	FCVFVLWXPHWPOG-UHFFFAOYSA-N	-1	2	340.361	1.958	20	5		EDBDLM
Cc1nn(C)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000554432677	306191286	/nfs/dbraw/zinc/19/12/86/306191286.db2.gz	QEIJLDTVOOAUOA-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000436774766	320023572	/nfs/dbraw/zinc/02/35/72/320023572.db2.gz	CIWFBURUJUJGPN-UHFFFAOYSA-N	-1	2	342.267	1.896	20	5		EDBDLM
Cc1noc(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000361990030	446133097	/nfs/dbraw/zinc/13/30/97/446133097.db2.gz	ZMKFKQVXYFZOMM-UHFFFAOYSA-N	-1	2	341.301	1.699	20	5		EDBDLM
O=C([O-])CN1C(=O)/C(=C\c2ccc([N+](=O)[O-])c(O)c2)SC1=S	ZINC000748307949	579678732	/nfs/dbraw/zinc/67/87/32/579678732.db2.gz	PQJHRZUUTZJTIU-RUDMXATFSA-N	-1	2	340.338	1.586	20	5		EDBDLM
O=C([O-])c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1O	ZINC000322724793	318941788	/nfs/dbraw/zinc/94/17/88/318941788.db2.gz	WLHNOHQTIZKGDY-UHFFFAOYSA-N	-1	2	338.297	1.799	20	5		EDBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C)c2[nH+]ccn2C)cc1C	ZINC000595384542	450099223	/nfs/dbraw/zinc/09/92/23/450099223.db2.gz	WUZPTDLBAUCBOX-NSHDSACASA-N	-1	2	338.389	1.985	20	5		EDBDLM
C[C@@H](NC(=O)[O-])[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1	ZINC000825247630	594155312	/nfs/dbraw/zinc/15/53/12/594155312.db2.gz	ZPOOKZYSTHOKRZ-KOLCDFICSA-N	-1	2	337.332	1.809	20	5		EDBDLM
O=C([O-])N1CCC2(CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)CC1	ZINC000834091110	595011912	/nfs/dbraw/zinc/01/19/12/595011912.db2.gz	DBCFVSJKONNVLN-UHFFFAOYSA-N	-1	2	349.343	1.907	20	5		EDBDLM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1	ZINC000436729361	305166690	/nfs/dbraw/zinc/16/66/90/305166690.db2.gz	AUOCIWQMGDDJJU-SNVBAGLBSA-N	-1	2	333.304	1.492	20	5		EDBDLM
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC[C@H]1c1n[nH]c(=O)[nH]1	ZINC000436729360	305166792	/nfs/dbraw/zinc/16/67/92/305166792.db2.gz	AUOCIWQMGDDJJU-JTQLQIEISA-N	-1	2	333.304	1.492	20	5		EDBDLM
CCc1nn(C)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000091021781	441649774	/nfs/dbraw/zinc/64/97/74/441649774.db2.gz	CFDXRUJATAFFRY-UHFFFAOYSA-N	-1	2	326.334	1.397	20	5		EDBDLM
O=C([O-])c1cc(NS(=O)(=O)c2cncc(F)c2)cc([N+](=O)[O-])c1	ZINC000361981815	446126771	/nfs/dbraw/zinc/12/67/71/446126771.db2.gz	CMSZFFUGEJXGDX-UHFFFAOYSA-N	-1	2	341.276	1.628	20	5		EDBDLM
O=C([O-])N1[C@@H]2CC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2	ZINC000834286634	595081664	/nfs/dbraw/zinc/08/16/64/595081664.db2.gz	BEVJGIJSAXNSMF-KOLCDFICSA-N	-1	2	335.316	1.657	20	5		EDBDLM
O=C([O-])N1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1	ZINC000834039289	594997788	/nfs/dbraw/zinc/99/77/88/594997788.db2.gz	VGDDJMDNOBOKLZ-JTQLQIEISA-N	-1	2	337.332	1.810	20	5		EDBDLM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(C)n1	ZINC000447341274	305278740	/nfs/dbraw/zinc/27/87/40/305278740.db2.gz	OIAVEICORSOSJZ-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc([N+](=O)[O-])cc1O	ZINC000159358979	441806483	/nfs/dbraw/zinc/80/64/83/441806483.db2.gz	OJEXKHVQSGNQGT-UHFFFAOYSA-N	-1	2	342.267	1.896	20	5		EDBDLM
CCn1cc(S(=O)(=O)Nc2ccsc2C(=O)[O-])c([N+](=O)[O-])n1	ZINC000830424044	594393701	/nfs/dbraw/zinc/39/37/01/594393701.db2.gz	FXYBZTRAHDFYOJ-UHFFFAOYSA-N	-1	2	346.346	1.372	20	5		EDBDLM
O=C([O-])c1nscc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000833346561	594831487	/nfs/dbraw/zinc/83/14/87/594831487.db2.gz	RMGPIZVAOSAYJP-UHFFFAOYSA-N	-1	2	329.315	1.550	20	5		EDBDLM
O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000833232755	594810399	/nfs/dbraw/zinc/81/03/99/594810399.db2.gz	KWAOGYKVBXJIDR-NSHDSACASA-N	-1	2	338.316	1.396	20	5		EDBDLM
O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc([N+](=O)[O-])cc1O	ZINC000436993961	305171327	/nfs/dbraw/zinc/17/13/27/305171327.db2.gz	JJJSNYMWBBRKGP-UHFFFAOYSA-N	-1	2	342.271	1.234	20	5		EDBDLM
O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1	ZINC000577282599	448256711	/nfs/dbraw/zinc/25/67/11/448256711.db2.gz	OHROAFSKEZDUSX-MRVPVSSYSA-N	-1	2	333.304	1.144	20	5		EDBDLM
O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000586770253	448806263	/nfs/dbraw/zinc/80/62/63/448806263.db2.gz	LKTCMQDHEULHAB-UHFFFAOYSA-N	-1	2	342.267	1.896	20	5		EDBDLM
CCn1cncc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000547903776	448946651	/nfs/dbraw/zinc/94/66/51/448946651.db2.gz	JXPRBVNJQGDPGF-UHFFFAOYSA-N	-1	2	340.317	1.310	20	5		EDBDLM
C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1CNC(=O)[O-]	ZINC000825919996	594280102	/nfs/dbraw/zinc/28/01/02/594280102.db2.gz	VYBQHEDWUVXDDU-BXKDBHETSA-N	-1	2	337.332	1.809	20	5		EDBDLM
O=C([O-])c1cc([N+](=O)[O-])c(NCCCc2n[nH]c(=O)[nH]2)cc1Cl	ZINC000833307890	594824275	/nfs/dbraw/zinc/82/42/75/594824275.db2.gz	SBCNVPZSLGQSPZ-UHFFFAOYSA-N	-1	2	341.711	1.815	20	5		EDBDLM
O=C([O-])N1CC[C@H](N(C(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)C1	ZINC000834084034	595009864	/nfs/dbraw/zinc/00/98/64/595009864.db2.gz	RNFSGKDLSOFHEE-NSHDSACASA-N	-1	2	335.316	1.657	20	5		EDBDLM
CO[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O)[C@H]1CCOC1	ZINC000594696480	449630368	/nfs/dbraw/zinc/63/03/68/449630368.db2.gz	ONSPZJDUQDVNBO-ZANVPECISA-N	-1	2	346.361	1.094	20	5		EDBDLM
Cc1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cn1	ZINC000348443134	445292832	/nfs/dbraw/zinc/29/28/32/445292832.db2.gz	NPZKGORLPJATRO-UHFFFAOYSA-N	-1	2	338.301	1.192	20	5		EDBDLM
CCn1nccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-]	ZINC000547892822	320848074	/nfs/dbraw/zinc/84/80/74/320848074.db2.gz	MJDAUHQWVWZGHB-UHFFFAOYSA-N	-1	2	340.317	1.310	20	5		EDBDLM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1	ZINC000279790353	273327385	/nfs/dbraw/zinc/32/73/85/273327385.db2.gz	RTKRDVFLPOSYFM-JTQLQIEISA-N	-1	2	349.265	1.942	20	5		EDBDLM
O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)c1cc([N+](=O)[O-])ccc1O)C2	ZINC000834014657	594989904	/nfs/dbraw/zinc/98/99/04/594989904.db2.gz	CZIGJBJZEQOIHK-PBINXNQUSA-N	-1	2	335.316	1.704	20	5		EDBDLM
O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000339726043	142135035	/nfs/dbraw/zinc/13/50/35/142135035.db2.gz	RYSMWNUIYXUYMI-UHFFFAOYSA-N	-1	2	343.324	1.888	20	5		EDBDLM
O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2n[nH]c(=O)[n-]2)CC1	ZINC000537731785	306029061	/nfs/dbraw/zinc/02/90/61/306029061.db2.gz	ZFDWWMJVUHEPFJ-UHFFFAOYSA-N	-1	2	333.304	1.144	20	5		EDBDLM
Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000557423597	321004329	/nfs/dbraw/zinc/00/43/29/321004329.db2.gz	JLEFVGIRUDURKX-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
Cn1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000833052658	594794599	/nfs/dbraw/zinc/79/45/99/594794599.db2.gz	GIIBKRBJRILVJH-UHFFFAOYSA-N	-1	2	343.292	1.571	20	5		EDBDLM
O=C([O-])C=Cc1ccc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1	ZINC000833197565	594803948	/nfs/dbraw/zinc/80/39/48/594803948.db2.gz	RLGGMZWVJWDRCU-GQCTYLIASA-N	-1	2	333.304	1.561	20	5		EDBDLM
COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)c1[nH+]ccn1C	ZINC000595384265	450099872	/nfs/dbraw/zinc/09/98/72/450099872.db2.gz	VIMLYABGGMMZKD-SECBINFHSA-N	-1	2	340.361	1.376	20	5		EDBDLM
C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1CNC(=O)[O-]	ZINC000825919997	594280251	/nfs/dbraw/zinc/28/02/51/594280251.db2.gz	VYBQHEDWUVXDDU-CABZTGNLSA-N	-1	2	337.332	1.809	20	5		EDBDLM
O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000364487839	153249586	/nfs/dbraw/zinc/24/95/86/153249586.db2.gz	MXFFQUWWKGJYMR-UHFFFAOYSA-N	-1	2	348.315	1.200	20	5		EDBDLM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)ccc1[O-]	ZINC000362021208	446158448	/nfs/dbraw/zinc/15/84/48/446158448.db2.gz	YYJSHRHHYONZGP-UHFFFAOYSA-N	-1	2	348.287	1.563	20	5		EDBDLM
CC(C)n1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000281245836	273452662	/nfs/dbraw/zinc/45/26/62/273452662.db2.gz	VNCOIOANCGLWDB-UHFFFAOYSA-N	-1	2	326.334	1.879	20	5		EDBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c[nH]1	ZINC000318558779	444319873	/nfs/dbraw/zinc/31/98/73/444319873.db2.gz	NQPDAWGJJFHSQG-UHFFFAOYSA-N	-1	2	327.274	1.128	20	5		EDBDLM
CCO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1O)C1CC1	ZINC000600634927	449468020	/nfs/dbraw/zinc/46/80/20/449468020.db2.gz	LDCNJRJSISGBDW-CYBMUJFWSA-N	-1	2	330.362	1.857	20	5		EDBDLM
CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCN(C(=O)[O-])C1	ZINC000826884043	594594517	/nfs/dbraw/zinc/59/45/17/594594517.db2.gz	ILGLPYUABZKTAW-LLVKDONJSA-N	-1	2	337.332	1.905	20	5		EDBDLM
Cc1[nH]ncc1CCCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	ZINC000288926603	444015686	/nfs/dbraw/zinc/01/56/86/444015686.db2.gz	MOKHQFSDERLOJQ-UHFFFAOYSA-N	-1	2	338.389	1.846	20	5		EDBDLM
C[C@H]1OCC[C@H]1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000565057086	321167808	/nfs/dbraw/zinc/16/78/08/321167808.db2.gz	BDDMKKBFFIQHMG-RDDDGLTNSA-N	-1	2	330.318	1.212	20	5		EDBDLM
Cn1cc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1C(=O)[O-]	ZINC000833053453	594794527	/nfs/dbraw/zinc/79/45/27/594794527.db2.gz	UOBBRUPHLIEQPP-UHFFFAOYSA-N	-1	2	343.292	1.571	20	5		EDBDLM
C[C@H]1OCC[C@@H]1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000514732957	305703839	/nfs/dbraw/zinc/70/38/39/305703839.db2.gz	DUAPJDAANMAARK-HQJQHLMTSA-N	-1	2	330.318	1.212	20	5		EDBDLM
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)Nc1cncnc1	ZINC000362220182	446270193	/nfs/dbraw/zinc/27/01/93/446270193.db2.gz	XJWBLHMMYIYZGN-UHFFFAOYSA-N	-1	2	338.301	1.192	20	5		EDBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)c1[nH+]ccn1C	ZINC000595384556	450099114	/nfs/dbraw/zinc/09/91/14/450099114.db2.gz	XPFQZTDUNDXKED-VIFPVBQESA-N	-1	2	340.361	1.376	20	5		EDBDLM
COc1ncccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000340231061	536903950	/nfs/dbraw/zinc/90/39/50/536903950.db2.gz	OFGZBKCNHAJBND-UHFFFAOYSA-N	-1	2	325.302	1.505	20	5		EDBDLM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)ccc1[O-]	ZINC000284954521	443796838	/nfs/dbraw/zinc/79/68/38/443796838.db2.gz	CVWYDYQFKZJLKZ-UHFFFAOYSA-N	-1	2	338.345	1.634	20	5		EDBDLM
C[C@@H]1OCC[C@H]1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000565057087	321167875	/nfs/dbraw/zinc/16/78/75/321167875.db2.gz	BDDMKKBFFIQHMG-WRWORJQWSA-N	-1	2	330.318	1.212	20	5		EDBDLM
CCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cn1	ZINC000833682336	594905184	/nfs/dbraw/zinc/90/51/84/594905184.db2.gz	SCYBXDQRRPBYEB-UHFFFAOYSA-N	-1	2	340.317	1.310	20	5		EDBDLM
Cc1c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])cnn1C	ZINC000559205139	306251620	/nfs/dbraw/zinc/25/16/20/306251620.db2.gz	PWPZPRKKSLHPMZ-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
Cc1cnn(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000577008955	448192742	/nfs/dbraw/zinc/19/27/42/448192742.db2.gz	JEFBFNJLYZMDMV-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000538742276	320746031	/nfs/dbraw/zinc/74/60/31/320746031.db2.gz	CSQOQSGUMAYJJE-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
Cc1c(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cnn1C	ZINC000427267936	319894542	/nfs/dbraw/zinc/89/45/42/319894542.db2.gz	SQWNWOCWNOMAHI-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
COCCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1	ZINC000369661125	446141266	/nfs/dbraw/zinc/14/12/66/446141266.db2.gz	OWJRCQNCAXRNHN-UHFFFAOYSA-N	-1	2	337.376	1.485	20	5		EDBDLM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-]	ZINC000556956432	306221934	/nfs/dbraw/zinc/22/19/34/306221934.db2.gz	BUHOITBAIARTEE-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
O=C([O-])N1CCSC[C@H]1CC(=O)Nc1cc([N+](=O)[O-])ccc1O	ZINC000833989597	594982933	/nfs/dbraw/zinc/98/29/33/594982933.db2.gz	YFJXIWXFSSQBQU-SECBINFHSA-N	-1	2	341.345	1.724	20	5		EDBDLM
O=C([O-])CCOc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1	ZINC000352014394	445439491	/nfs/dbraw/zinc/43/94/91/445439491.db2.gz	PRHVPPHPQLAXKC-SNAWJCMRSA-N	-1	2	347.283	1.820	20	5		EDBDLM
CC1(C)C[C@@H](S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])CO1	ZINC000600651778	449471710	/nfs/dbraw/zinc/47/17/10/449471710.db2.gz	JEDNEOXSLIGKCO-SECBINFHSA-N	-1	2	344.345	1.602	20	5		EDBDLM
Cc1nc(C=Cc2ccc([N+](=O)[O-])c(O)c2)[nH]c(=O)c1CC(=O)[O-]	ZINC000349103874	445507514	/nfs/dbraw/zinc/50/75/14/445507514.db2.gz	DKHSEUIUVVLBIY-HWKANZROSA-N	-1	2	331.284	1.902	20	5		EDBDLM
C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)C1	ZINC000375758533	447026626	/nfs/dbraw/zinc/02/66/26/447026626.db2.gz	OVZUPRDIHPMROB-ZDUSSCGKSA-N	-1	2	348.403	1.152	20	5		EDBDLM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1csnc1C(=O)[O-]	ZINC000832855922	594781328	/nfs/dbraw/zinc/78/13/28/594781328.db2.gz	HPXUAOSQJHAFHO-UHFFFAOYSA-N	-1	2	343.342	1.859	20	5		EDBDLM
Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)[O-]	ZINC000738865611	600054824	/nfs/dbraw/zinc/05/48/24/600054824.db2.gz	ZVPLUMNGQLMEIH-UHFFFAOYSA-N	-1	2	343.342	1.859	20	5		EDBDLM
O=C([O-])c1cc(C(=O)Nc2ccc3nn[nH]c3c2)cc([N+](=O)[O-])c1	ZINC000362491513	445409633	/nfs/dbraw/zinc/40/96/33/445409633.db2.gz	YLYKCYRYOGAKRS-UHFFFAOYSA-N	-1	2	327.256	1.817	20	5		EDBDLM
Cc1sc(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)cc1[N+](=O)[O-]	ZINC000595382401	450096788	/nfs/dbraw/zinc/09/67/88/450096788.db2.gz	HHMAXALELULCKF-SSDOTTSWSA-N	-1	2	330.391	1.738	20	5		EDBDLM
O=C([O-])c1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1O	ZINC000776460104	580417781	/nfs/dbraw/zinc/41/77/81/580417781.db2.gz	NOTAGAANRVPKFX-UHFFFAOYSA-N	-1	2	344.326	1.861	20	5		EDBDLM
O=C([O-])[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1	ZINC000833134531	594800407	/nfs/dbraw/zinc/80/04/07/594800407.db2.gz	PMHRECNGCBVDNT-GFCCVEGCSA-N	-1	2	330.296	1.899	20	5		EDBDLM
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000361651480	445864401	/nfs/dbraw/zinc/86/44/01/445864401.db2.gz	DBWNUIDZZFJGGB-UHFFFAOYSA-N	-1	2	343.255	1.302	20	5		EDBDLM
Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2[nH+]ccn2C)c1[N+](=O)[O-]	ZINC000595384218	450099599	/nfs/dbraw/zinc/09/95/99/450099599.db2.gz	ULCTVYIMJNYBHO-LLVKDONJSA-N	-1	2	338.389	1.985	20	5		EDBDLM
COc1nn(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000352299389	162103411	/nfs/dbraw/zinc/10/34/11/162103411.db2.gz	NKZFHVXKMDWFHZ-UHFFFAOYSA-N	-1	2	342.333	1.152	20	5		EDBDLM
Cc1sc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000547346584	320824951	/nfs/dbraw/zinc/82/49/51/320824951.db2.gz	NPRAWASZXGPXFH-UHFFFAOYSA-N	-1	2	346.346	1.197	20	5		EDBDLM
CCn1nccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000548197007	449003821	/nfs/dbraw/zinc/00/38/21/449003821.db2.gz	SMKNFVDGTKRMNJ-UHFFFAOYSA-N	-1	2	340.317	1.310	20	5		EDBDLM
Cn1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C(F)F	ZINC000611150319	449187487	/nfs/dbraw/zinc/18/74/87/449187487.db2.gz	FEJCXHCAOFNLIU-UHFFFAOYSA-N	-1	2	348.287	1.772	20	5		EDBDLM
O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000436966384	320029236	/nfs/dbraw/zinc/02/92/36/320029236.db2.gz	VXQVKDUNXOTSFB-UHFFFAOYSA-N	-1	2	342.267	1.896	20	5		EDBDLM
O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(-c2nc(=O)o[n-]2)cc1	ZINC000776203887	580411178	/nfs/dbraw/zinc/41/11/78/580411178.db2.gz	JOVHYDCFOIHMQK-UHFFFAOYSA-N	-1	2	342.267	1.896	20	5		EDBDLM
Cc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000738864876	600054826	/nfs/dbraw/zinc/05/48/26/600054826.db2.gz	IWSQPDWSUWPDCP-UHFFFAOYSA-N	-1	2	343.342	1.859	20	5		EDBDLM
O=C([O-])N1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1	ZINC000740426022	579344816	/nfs/dbraw/zinc/34/48/16/579344816.db2.gz	VNSSSNWFPLLAMF-JTQLQIEISA-N	-1	2	337.332	1.810	20	5		EDBDLM
O=C([O-])c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(O)c1	ZINC000768867771	580223010	/nfs/dbraw/zinc/22/30/10/580223010.db2.gz	KJYFIIJJBYGRMW-UHFFFAOYSA-N	-1	2	344.326	1.861	20	5		EDBDLM
O=C([O-])CCN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000833235045	594811204	/nfs/dbraw/zinc/81/12/04/594811204.db2.gz	WRCWBXRHSBLRBU-UHFFFAOYSA-N	-1	2	345.311	1.813	20	5		EDBDLM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-]	ZINC000540293648	306039249	/nfs/dbraw/zinc/03/92/49/306039249.db2.gz	BQANELGMHFVWDC-UHFFFAOYSA-N	-1	2	340.317	1.136	20	5		EDBDLM
CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000833505255	594861320	/nfs/dbraw/zinc/86/13/20/594861320.db2.gz	YJGZGTYNPWHPIA-NSHDSACASA-N	-1	2	326.305	1.251	20	5		EDBDLM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1	ZINC000353319395	149363339	/nfs/dbraw/zinc/36/33/39/149363339.db2.gz	DCVYOYYSUSXDPL-SNVBAGLBSA-N	-1	2	333.304	1.492	20	5		EDBDLM
Cn1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(C2CC2)n1	ZINC000291143736	289007942	/nfs/dbraw/zinc/00/79/42/289007942.db2.gz	PIUOXKDRMNXIMK-UHFFFAOYSA-N	-1	2	338.345	1.712	20	5		EDBDLM
O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000436894266	305169042	/nfs/dbraw/zinc/16/90/42/305169042.db2.gz	QGODOJFKEUDRIX-UHFFFAOYSA-N	-1	2	338.297	1.799	20	5		EDBDLM