smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cccc(-c2ccccc2)c1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586879982	VZATZOUIWNJHDL-UHFFFAOYSA-N	347.349	5.253	5	1	EKBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(F)c2[nH]1	586969799	YPGUUIHKGCSHLT-UHFFFAOYSA-N	345.399	5.025	5	1	EKBF	
COc1cccc(-c2ccc3[nH]c4c(ccc5c(C=O)c[nH]c54)c3c2)c1	45298752	QATLODFZJKYGRA-UHFFFAOYSA-N	340.382	5.291	5	1	EKBF	
Cc1c(-c2ccc(Cl)c(Cl)c2O)[nH]c2cc([N+](=O)[O-])ccc12	587644411	BQNWVCWJDMTYBK-UHFFFAOYSA-N	337.162	5.064	5	1	EKBF	
Cc1cc2[nH]c(/C=C\c3cccc4ccccc34)nc2cc1[N+](=O)[O-]	587968700	OFXUCRNXUDGYST-KTKRTIGZSA-N	329.359	5.103	5	1	EKBF	
O=[N+]([O-])c1ccc2nc3c(nc2c1)-c1c2ccccc2cc2cccc-3c12	1862405	VYGXGLDGKWWWNU-UHFFFAOYSA-N	349.349	5.492	5	1	EKBF	
O=c1c2ccccc2oc2cc(-c3ccccc3)c(-c3ccccc3)cc12	64416973	SIGHWBODLVWVNI-UHFFFAOYSA-N	348.401	6.280	5	1	EKBF	
CCc1c(-c2ccc(Cl)cc2Cl)[nH]c2cc([N+](=O)[O-])ccc12	587645164	YGCQRVRXQMUGCD-UHFFFAOYSA-N	335.190	5.612	5	1	EKBF	
O=[N+]([O-])c1ccc(-c2ccc3cc(O)ccc3c2)cc1C(F)(F)F	299827690	QKWNZCUHONOZLY-UHFFFAOYSA-N	333.265	5.139	5	1	EKBF	
CC(C)=CCC/C(C)=C\c1nc2c3ccccc3c3ccccc3c2[nH]1	587967894	NEUWTOXEWMIVGT-ICFOKQHNSA-N	340.470	7.019	5	1	EKBF	
CN(c1ccc([N+](=O)[O-])cc1)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@@H]2C1	102853718	HXIUEXRFXKVREO-ZIAGYGMSSA-N	347.418	5.219	5	1	EKBF	
Cc1ccccc1C(=C[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1C	103235730	LZYSYVUXHUBXJL-KOUNCHBCSA-N	346.538	5.753	5	1	EKBF	
CCCCCCc1c(-c2ccc(N)cc2)[nH]c2cccc([N+](=O)[O-])c12	587647671	LXAYQYIGJJUQRK-UHFFFAOYSA-N	337.423	5.448	5	1	EKBF	
O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)ccc2c2ccccc12	169339614	OSJWDIGYSPEGBG-HRAATJIYSA-N	339.866	5.212	5	1	EKBF	
Clc1ccc2[nH]c3c(ccc4c5cc(Cl)ccc5[nH]c43)c2c1	13451386	NNZIVRYPHRMPQM-UHFFFAOYSA-N	325.198	6.262	5	1	EKBF	biogenic
CN(c1ccc([N+](=O)[O-])cc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@@H]2C1	72136763	HXIUEXRFXKVREO-KGLIPLIRSA-N	347.418	5.219	5	1	EKBF	
O=c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)c2ccc3ccccc3c2o1	1857604940	QFCRAGHZOYALQF-VMPITWQZSA-N	343.338	5.025	5	1	EKBF	
CC(C)(CO)CCCNCc1ccc2ccc3cccc4ccc1c2c34	26399667	KAAOLDOERBKKAN-UHFFFAOYSA-N	345.486	5.472	5	1	EKBF	
CC(C)=CCCC(C)=CCOc1cccc2nc3ccccc3nc12	2356498911	MMZUEDNDIRQBAJ-UHFFFAOYSA-N	332.447	5.855	5	1	EKBF	
Cc1cc2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2cc1[N+](=O)[O-]	587054753	QRXDZIAXUCPSMH-AATRIKPKSA-N	348.189	5.257	5	1	EKBF	
Brc1ccc2c(c1)[nH]c1c3c4ccccc4nc-3c[nH]c12	100660619	FBBHIITYGMPFBB-UHFFFAOYSA-N	336.192	5.065	5	1	EKBF	
Oc1ccc([C@@H]2C[C@H](c3c4ccccc4cc4ccccc34)N=N2)cc1	169724706	GAZUTEYOOWJEAA-FCHUYYIVSA-N	338.410	6.337	5	1	EKBF	
CC[C@H](C)[C@@H]1CCc2c1ccc1c2ccc2c3cccc(C)c3ccc12	2356478394	CKCJMHFVCCDXAV-WMZOPIPTSA-N	338.494	7.531	5	1	EKBF	
CC[C@H]1OCCC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1	586908740	CZGBNGDMSDQRNE-RTBURBONSA-N	330.431	5.542	5	1	EKBF	
O=[N+]([O-])c1cccc(-c2c(-c3ccccc3)ncc3cc(F)ccc23)c1	36388764	RHVVROAVINWUGT-UHFFFAOYSA-N	344.345	5.616	5	3	EKBF	
O=c1cc(Cc2c3ccccc3nc3ccccc23)c2ccccc2o1	64539311	TYRWTRKEFLJTPG-UHFFFAOYSA-N	337.378	5.085	5	1	EKBF	
Cc1ccc2[nH]cc(-c3nc4ccccc4c4cc5ccccc5n34)c2c1	49112074	YLAKKLYSVNQPLX-UHFFFAOYSA-N	347.421	6.097	5	1	EKBF	
CC[C@H]([C@H]1c2ccccc2-c2ccc3ccccc3c2N1C)[N+](=O)[O-]	1857758420	PZQZWILPGCNOST-TZIWHRDSSA-N	332.403	5.053	5	1	EKBF	
CN(c1ccc([N+](=O)[O-])cc1)c1cc2c(c3c1ccn3C)[C@H]1CC[C@H]2C1	102853720	HXIUEXRFXKVREO-KBPBESRZSA-N	347.418	5.219	5	3	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3cc(F)ccc3F)c(C(F)(F)F)c12	587646070	ISMXWJACZAFLBG-UHFFFAOYSA-N	342.223	5.040	5	1	EKBF	
O=[N+]([O-])c1cc(Cl)ccc1Sc1ccccc1Br	299839967	UFVJFFJOHXFYJP-UHFFFAOYSA-N	344.617	5.162	5	1	EKBF	
O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3-n3c2cc2ccccc23)cc1	71341921	AUKKXBAZILOWRR-NRFANRHFSA-N	341.370	5.054	5	1	EKBF	
Cc1cccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12	587271266	AAWSNVHOFAJEPY-UHFFFAOYSA-N	345.358	5.239	5	1	EKBF	
C/C(=C\c1nc2c3ccccc3c3ccccc3c2[nH]1)C1CCCCC1	587969198	WQYJIPXUQNKXNC-FOCLMDBBSA-N	340.470	6.853	5	1	EKBF	
Cc1nc(C)c(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)s1	587012271	QGZRNEGKBQLBBG-UHFFFAOYSA-N	343.455	5.533	5	1	EKBF	
Cc1cc2[nH]c(Cc3ccccc3-c3ccccc3)nc2cc1[N+](=O)[O-]	587958887	LGYRBFGVOTYFFP-UHFFFAOYSA-N	343.386	5.037	5	1	EKBF	
Cc1c2cnccc2c(C)c2c1c1cc(Br)ccc1n2C	72114255	NLSUJHPLOGTMNB-UHFFFAOYSA-N	339.236	5.259	5	1	EKBF	
CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(OC)cc3[N+](=O)[O-])c2c1	587640922	CPYFPLXJQNAPJU-LBPRGKRZSA-N	338.407	5.574	5	1	EKBF	
Cc1c(-c2cc(F)cc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12	587646380	QUABHEWXKMSOOW-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
c1ccc(CCCNCc2ccc3ccc4cccc5ccc2c3c45)cc1	26400232	XSXUGBSASYGATG-UHFFFAOYSA-N	349.477	6.306	5	1	EKBF	
Cc1ccc([C@@H]2C[C@@H](c3c4ccccc4cc4ccccc34)N=N2)cc1	169724712	ORDSRUWWRNHCAJ-GOTSBHOMSA-N	336.438	6.940	5	1	EKBF	
Cn1c2ccccc2c(=Nc2ccc(F)cc2)c2oc3ccccc3c21	1772589377	JUZRDPAFNJORPG-UHFFFAOYSA-N	342.373	5.449	5	1	EKBF	
O=[N+]([O-])c1cc2[nH]c(-c3ccc(C4CCC4)cc3)nc2cc1Cl	586881979	ZCEVRSAYYHPKDU-UHFFFAOYSA-N	327.771	5.059	5	1	EKBF	
CC(C)(C)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587645113	WAJXEMGJGVCBQO-UHFFFAOYSA-N	328.799	5.694	5	1	EKBF	
C[C@@H]1C(=O)CC[C@H]1Cc1nc2c3ccccc3c3ccccc3c2[nH]1	587963337	NEKJVMPGTIYZQY-KBPBESRZSA-N	328.415	5.027	5	1	EKBF	
O=[N+]([O-])c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1	587049567	MWZKMIQBMXKYKM-ZJUUUORDSA-N	348.189	5.049	5	1	EKBF	
Cc1ccc(C)c2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12	587265599	RCBNFEBNLHJUPU-UHFFFAOYSA-N	333.347	5.015	5	1	EKBF	
CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Cl)c([N+](=O)[O-])c3)c(C)c2c1	587640681	IKJRQQUEIGZRAM-LLVKDONJSA-N	342.826	6.218	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]c2c1	587645144	XIWWJCHZHNGLKP-UHFFFAOYSA-N	349.777	5.459	5	1	EKBF	
c1ccc([C@@H]2C[C@H]2Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1	587962182	VQAQVJGXTSGWMT-JTSKRJEESA-N	348.449	6.216	5	1	EKBF	
CCc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccccc1Br	587643444	FKXIVVOJMNLKAL-UHFFFAOYSA-N	345.196	5.068	5	1	EKBF	
C(=Cc1cccc2ccc3ccc4ccccc4c3c12)c1ccccc1	2356847499	OWVQNZVTUIJVIB-UHFFFAOYSA-N	330.430	7.317	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3ccccc3Cl)c(C(F)(F)F)[nH]c2c1	587645275	NPYOSNUVVLMFNG-UHFFFAOYSA-N	340.688	5.415	5	1	EKBF	
Nc1cc([N+](=O)[O-])c(C=Cc2ccccc2)cc1C=Cc1ccccc1	2356833326	OUHJCZOFPGNMLY-UHFFFAOYSA-N	342.398	5.518	5	1	EKBF	
CC[C@@H]([C@@H]1c2ccccc2-c2ccc3ccccc3c2N1C)[N+](=O)[O-]	1857758418	PZQZWILPGCNOST-FPOVZHCZSA-N	332.403	5.053	5	1	EKBF	
CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(Br)cc3)[C@@H]1C2	95560740	DYFPTTCSLXKLJQ-WMZOPIPTSA-N	349.336	5.018	5	1	EKBF	
Cc1cc2[nH]c([C@H](C)Oc3ccc4ccccc4c3)nc2cc1[N+](=O)[O-]	587951478	MEAQPXHKINZHIY-ZDUSSCGKSA-N	347.374	5.073	5	1	EKBF	
CCc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(Cl)cc1Cl	587645097	VHRMKMWQIHTKBP-UHFFFAOYSA-N	335.190	5.612	5	1	EKBF	
O=c1c2ccc(-c3ccc(Cl)cc3)cc2[nH]c2cc(F)cc(F)c12	1911583635	YKXHGWWWNHTBAT-UHFFFAOYSA-N	341.744	5.280	5	1	EKBF	
c1ccc(C[n+]2ccc3c4c(nc5ccccc53)-c3ccccc3-c42)cc1	1772605121	XXXHVZXYSCJYPL-UHFFFAOYSA-N	345.425	5.371	5	1	EKBF	
COc1cc(Cl)cc(-c2cc(=O)c3ccc4ccccc4c3o2)c1	1857593832	YDFWKDMNPCFIBE-UHFFFAOYSA-N	336.774	5.275	5	1	EKBF	
FC(F)(F)c1cccc(Nc2ncnc3c2ccc2ccccc23)c1	96914118	YBLIISNNDPRDNU-UHFFFAOYSA-N	339.320	5.545	5	1	EKBF	
O=C(OCCN1CCCCCC1)c1c2ccccc2cc2ccccc12	13864173	MQDXNIHPOZYBGO-UHFFFAOYSA-N	347.458	5.026	5	1	EKBF	
C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC1c3ccccc3C=Cc3ccccc31)C2	101040414	RQORBEVMVRZOCV-WOJBJXKFSA-N	346.494	5.046	5	1	EKBF	
O=[N+]([O-])c1ccccc1-c1c(C2CC2)[nH]c2ccc(F)c(Cl)c12	587631652	SEYSJZPGPLWEMI-UHFFFAOYSA-N	330.746	5.413	5	1	EKBF	
CCN(CC)CCNc1ccc2c3c(c4ccccc4c(O)c13)N=N2	28757411	QMGZAPAFHXCSHE-UHFFFAOYSA-N	334.423	5.181	5	1	EKBF	
Clc1ccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc1	473152456	UJVDJQAEVPDJPY-UHFFFAOYSA-N	343.817	6.266	5	1	EKBF	
CCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12	587644573	FPFFYBJZBGYPRF-UHFFFAOYSA-N	349.217	6.002	5	1	EKBF	
Brc1ccc2[nH]c3c4c5ccccc5nc-4c[nH]c3c2c1	100660612	PYRBLFDTRKPBCC-UHFFFAOYSA-N	336.192	5.065	5	1	EKBF	
CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1ccc(Cl)cc1	587644972	SMGOEZRGKTXOPS-UHFFFAOYSA-N	342.826	5.618	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3ccccc3)c(-c3ccc(F)cc3)[nH]c2c1	587645696	IDEHVOZJBPVSED-UHFFFAOYSA-N	332.334	5.549	5	1	EKBF	
Cc1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1	587272379	RRWMMQJOFOFTGJ-UHFFFAOYSA-N	345.358	5.239	5	1	EKBF	
Cn1c2ccccc2c2c3c(cccc31)c1cc(Cl)ccc1[n+]2C	29135082	NVCINNHOIHPDRP-UHFFFAOYSA-N	331.826	5.116	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3ccccc3)c(-c3ccccc3)n(O)c2c1	45186899	AUSPIJBFFRDETJ-UHFFFAOYSA-N	330.343	5.121	5	1	EKBF	
C[n+]1c2ccccc2c(Nc2ccc(F)cc2)c2[nH]c3ccccc3c21	1772608845	LQLKZSIUVXNCGC-UHFFFAOYSA-O	342.397	5.182	5	1	EKBF	
CC(=O)c1ccc(Oc2c3ccccc3nc3ccc(Cl)cc23)cc1	27524856	GLODSPPOFFLIDM-UHFFFAOYSA-N	347.801	6.036	5	1	EKBF	
Oc1c(F)cc(F)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	587134647	STTRMQSCPXJARS-UHFFFAOYSA-N	346.336	5.520	5	1	EKBF	
Cc1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1C	587265643	RMZPBZRKMPYZHO-UHFFFAOYSA-N	333.347	5.015	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]c2c1	587644650	JRYPGLGUHGTMIS-UHFFFAOYSA-N	348.789	6.064	5	1	EKBF	
CC(C)C[C@@H](CO)NCc1ccc2ccc3cccc4ccc1c2c34	26471632	KLNXEKNUOFREFP-FQEVSTJZSA-N	331.459	5.081	5	1	EKBF	
CCOC(=O)c1sc(SC)c2c1ccc1c3ccccc3[nH]c12	29474252	YARSXQCGAVNSAD-UHFFFAOYSA-N	341.457	5.434	5	1	EKBF	
CC(C)=CCC/C(C)=C/c1nc2c3ccccc3c3ccccc3c2[nH]1	587967888	NEUWTOXEWMIVGT-BMRADRMJSA-N	340.470	7.019	5	1	EKBF	
c1ccc2c(c1)cc1c3ccccc3nc(-c3c[nH]c4ccccc34)n21	49051084	BAGMTHDEESQWFU-UHFFFAOYSA-N	333.394	5.789	5	1	EKBF	
COc1ccc(-c2c(C)[nH]c3c(C)cc(Cl)cc23)c([N+](=O)[O-])c1	587626710	HKPIZZNTPQUDSX-UHFFFAOYSA-N	330.771	5.022	5	1	EKBF	
O=C(c1ccc(-c2ccccc2)cc1)c1coc2cc([N+](=O)[O-])ccc12	587279589	MVJRFVXGUFTDJI-UHFFFAOYSA-N	343.338	5.239	5	1	EKBF	
CCCN1CCC(COc2nc3cc(C)ccc3c3ccccc23)CC1	95580218	DVJAHYHYWJWVFF-UHFFFAOYSA-N	348.490	5.197	5	1	EKBF	
Oc1ccc([C@H]2C[C@H](c3c4ccccc4cc4ccccc34)N=N2)cc1	169724707	GAZUTEYOOWJEAA-FGZHOGPDSA-N	338.410	6.337	5	1	EKBF	
CCCC(=O)OCn1ccc2c(C)c3nc4ccccc4c3c(C)c2c1	377841308	JYWIMQRSHZNGLZ-UHFFFAOYSA-N	346.430	5.260	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)cc3)c(-c3cccnc3)c12	587644434	CPPIMEPMDIDVMT-UHFFFAOYSA-N	349.777	5.459	5	1	EKBF	
CC(=O)c1cc([N+](=O)[O-])c(Sc2c(Cl)cccc2Cl)s1	95578453	BSEBPVJOSYPRJS-UHFFFAOYSA-N	348.232	5.317	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3ccccn3)c(-c3ccc(Cl)cc3)[nH]c2c1	587644409	BMCBPBHPXCAYGY-UHFFFAOYSA-N	349.777	5.459	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3ccccc3F)c(-c3ccccc3)[nH]c2c1	587645775	JYJXTTGCCVIBFX-UHFFFAOYSA-N	332.334	5.549	5	1	EKBF	
COc1ccc2cc3nc4ccccc4c(-c4ccccc4)c3cc2c1	1772570598	VQJMLJNWPCJWPC-UHFFFAOYSA-N	335.406	6.217	5	1	EKBF	
CC(C)Cc1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587644644	JOOJBMOENLPXEZ-UHFFFAOYSA-N	328.799	5.595	5	1	EKBF	
Cc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(F)c1	587146765	VWOVOQJSUBHJAP-UHFFFAOYSA-N	326.374	5.984	5	1	EKBF	
Cc1oc(-c2ccccc2)cc1C(=O)c1coc2cc([N+](=O)[O-])ccc12	587279576	LYVXXZBWSHYTMC-UHFFFAOYSA-N	347.326	5.140	5	1	EKBF	
Cc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2cccc([N+](=O)[O-])c12	587647273	UFXAQFWNEQIFQM-UHFFFAOYSA-N	345.402	5.271	5	1	EKBF	
O=[N+]([O-])c1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1Cl	587967761	JLSFHCCNOCVELA-CMDGGOBGSA-N	349.777	5.448	5	1	EKBF	
CC[C@H]1OCCC[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1	586908737	CZGBNGDMSDQRNE-RBUKOAKNSA-N	330.431	5.542	5	1	EKBF	
CN(c1ccc(O)cc1)c1c2ccccc2nc2c1[nH]c1ccccc12	473147867	GEDQBPPZEKSIID-UHFFFAOYSA-N	339.398	5.343	5	1	EKBF	
Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccc(F)cc2)cc1	587645575	DCMJRQPAGULMAC-UHFFFAOYSA-N	346.361	5.858	5	1	EKBF	
O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1	587272551	VBUUGIAAMBZOHR-UHFFFAOYSA-N	349.321	5.070	5	1	EKBF	
CC1(C)CCC(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)CC1	587960564	KSEJKAQDSAAEEB-UHFFFAOYSA-N	344.462	5.418	5	1	EKBF	
COc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21	1857595736	LIVLGIRFBZKJEV-UHFFFAOYSA-N	329.355	5.173	5	1	EKBF	
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2	103235728	DDAFFKQDEBQDHP-MUJYYYPQSA-N	330.542	5.259	5	1	EKBF	
Cn1c2c3ccccc3nc-2c(Oc2ccccc2)c2cc(F)ccc21	203806164	DYBZYKKMLHCICP-UHFFFAOYSA-N	342.373	5.763	5	1	EKBF	
c1ccc2c(c1)c1ccccc1c1[nH]c(CC3CCCCCC3)nc21	587960529	KBZICYSFCVWSTC-UHFFFAOYSA-N	328.459	6.382	5	1	EKBF	
CC[C@@H]1OCCC[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1	586908733	CZGBNGDMSDQRNE-OALUTQOASA-N	330.431	5.542	5	1	EKBF	
CCCCN(CCCC)C[C@H](O)c1c2ccccc2cc2ccccc12	169336996	BSSDLIZSHZKPNR-QHCPKHFHSA-N	349.518	5.929	5	1	EKBF	
Cn1c2c3cc(Br)c(Cl)cc3nc-2cc2ccccc21	39177762	WOPHQCABXGKYJP-UHFFFAOYSA-N	345.627	5.247	5	1	EKBF	
Cc1c(-c2cc(Cl)cc(Cl)c2O)[nH]c2cccc([N+](=O)[O-])c12	587645219	ZVBIVYZSLBWPFQ-UHFFFAOYSA-N	337.162	5.064	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3F)c(-c3ccccc3)c12	587646041	RNBVHHDOJOWCMF-UHFFFAOYSA-N	332.334	5.549	5	1	EKBF	
Cc1[nH]c2c(C)cc(Cl)cc2c1-c1c([N+](=O)[O-])ccc(F)c1F	587624365	ICHIMNBAEGRWKO-UHFFFAOYSA-N	336.725	5.292	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(-c3ccccc3Cl)c12	587645086	UWYLMBOADJNQJN-UHFFFAOYSA-N	348.789	6.064	5	1	EKBF	
COc1cc(C)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	587925016	IQHGFMQXNIOMPH-UHFFFAOYSA-N	338.410	5.853	5	1	EKBF	
FC(F)(c1ccccn1)c1nc2c3ccccc3c3ccccc3c2[nH]1	587089385	CJWHPOIZECLCID-UHFFFAOYSA-N	345.352	5.404	5	1	EKBF	
Cc1ccc2c(c1)c1cc(C)cc3c1c(c1cc(C)ccc1n3C)[n+]2C	1551457	ATYKVHMGZIAMLP-UHFFFAOYSA-N	339.462	5.388	5	1	EKBF	
CCc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(Cl)cc1Cl	587644723	LJFCELIZHFRVSK-UHFFFAOYSA-N	335.190	5.612	5	1	EKBF	
c1ccc2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)ccc2c1	98084291	UFVHBAGKXFRJLZ-UHFFFAOYSA-N	346.393	5.480	5	1	EKBF	
Cc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C)ccc1Br	587644274	SJMFECMIHNIBPC-UHFFFAOYSA-N	345.196	5.122	5	1	EKBF	
CCc1c(-c2ccc(Cl)cc2Cl)[nH]c2cccc([N+](=O)[O-])c12	587644954	RXCWKEYVZRZTIV-UHFFFAOYSA-N	335.190	5.612	5	1	EKBF	
Cc1ccc2nc3c(cnc4c3cnn4-c3ccccc3)c(Cl)c2c1	28975790	LZPFRNSVBFCCQH-UHFFFAOYSA-N	344.805	5.084	5	1	EKBF	
O=c1c2ccc(Nc3ccc(F)cc3F)cc2ccc2ccc(O)cc12	95572419	RYBPMRFWGUEHRS-UHFFFAOYSA-N	349.336	5.081	5	1	EKBF	
Cc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2cc([N+](=O)[O-])ccc12	587647337	WKGBOBKDJDVXPI-UHFFFAOYSA-N	345.402	5.271	5	1	EKBF	
O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3-c3ccccc3)n[nH]2)cc1	49088943	IFGDHDQVAAPPSX-UHFFFAOYSA-N	341.370	5.319	5	1	EKBF	
CC[C@H](C)c1ccc2[nH]c(-c3ccc(Cl)c([N+](=O)[O-])c3)c(C)c2c1	587640683	IKJRQQUEIGZRAM-NSHDSACASA-N	342.826	6.218	5	1	EKBF	
C[C@@H](O)c1ncc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)s1	587021076	FFEMZPZVMJTWTM-LLVKDONJSA-N	345.427	5.046	5	1	EKBF	
Cc1c(-c2ccc(Cl)c(Cl)c2O)[nH]c2cccc([N+](=O)[O-])c12	587644817	PBRAZVSZROQEBI-UHFFFAOYSA-N	337.162	5.064	5	1	EKBF	
Cc1ncsc1CCc1nc2c3ccccc3c3ccccc3c2[nH]1	587027718	HQHWVIBAGSQWNT-UHFFFAOYSA-N	343.455	5.419	5	1	EKBF	
CCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	254134649	MCHDVAJMYOGPQJ-YHBQERECSA-N	330.580	6.322	5	1	EKBF	
COc1ccccc1/C=C/c1cc(=O)oc2c1ccc1c(C)cccc12	1857586900	AVQKELCIWUFXRO-ZHACJKMWSA-N	342.394	5.434	5	1	EKBF	
COc1ccc(Cl)cc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C(C)C	587644591	GKNAPHFZKFKZFV-UHFFFAOYSA-N	344.798	5.529	5	1	EKBF	
Cc1nc2c3ccccc3oc2c2c1c(=O)oc1cc(Cl)ccc12	28467463	FEFAEDWWXAMAQN-UHFFFAOYSA-N	335.746	5.202	5	1	EKBF	
Cc1c(-c2ccc(C(F)(F)F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12	587646239	LZKJSOBTQRADTO-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
O=[N+]([O-])c1ccc(SN2Cc3ccccc3-c3ccccc32)cc1	84602316	ZTDPGLIQYDUEHI-UHFFFAOYSA-N	334.400	5.289	5	1	EKBF	
Clc1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2	64625104	WFJQUYQMFBCTOM-UHFFFAOYSA-N	344.805	5.309	5	1	EKBF	in-vitro
O=C(CC12CC3CC(CC(C3)C1)C2)c1coc2cc([N+](=O)[O-])ccc12	587279019	DMTDEEMPDSVUOY-UHFFFAOYSA-N	339.391	5.130	5	1	EKBF	
O=c1c2ccccc2ccc2cc(Nc3ccc(F)cc3F)ccc12	40406087	HQDWZDZNCCZBRC-UHFFFAOYSA-N	333.337	5.375	5	1	EKBF	
Cc1c(-c2ccc(C(F)(F)F)cc2F)[nH]c2cccc([N+](=O)[O-])c12	587645719	BUHWJOYTHKDHKB-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
C(=C\c1nc2c3ccccc3c3ccccc3c2[nH]1)\c1ccsc1	587026828	YFDAJADQIHATPI-KTKRTIGZSA-N	326.424	6.101	5	1	EKBF	
C(=Cc1ccc2ccc3ccc4ccccc4c3c2c1)c1ccccc1	2356852931	QUSCSNXGRSOOHC-UHFFFAOYSA-N	330.430	7.317	5	1	EKBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc4ccccc4cc3[nH]2)c1F	587138908	BEVQOUJCVRXMPZ-UHFFFAOYSA-N	341.729	5.084	5	1	EKBF	
Cc1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cccc1[N+](=O)[O-]	587261004	PBDAWYBESFLYEG-UHFFFAOYSA-N	345.358	5.239	5	1	EKBF	
CC(C)=CCC/C(C)=C\CC[C@@]1(C)O[C@@H]1Cc1c[nH]c([N+](=O)[O-])c1	238785925	NDZMZBQXLOVJER-XJRANTTPSA-N	332.444	5.096	5	1	EKBF	
O=[N+]([O-])C[C@H](c1ccccc1)c1c(C2CCCCC2)[nH]c2ccccc12	1857602421	MKFNDDOEEADMLA-LJQANCHMSA-N	348.446	5.624	5	1	EKBF	
COc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1O	587785769	GJRGMLDOSGDQCX-UHFFFAOYSA-N	340.382	5.251	5	1	EKBF	
Fc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1F	587144917	FWZWWNSNHZJJSS-UHFFFAOYSA-N	330.337	5.815	5	1	EKBF	
C[n+]1c2ccccc2c(Cl)c2[nH]c3ccc(-c4ccccc4)cc3c21	13555502	QAOXCCWQCRVISM-UHFFFAOYSA-O	343.837	5.619	5	1	EKBF	
CCCCCC(=O)c1ccc2[nH]c3c(C)cc([N+](=O)[O-])c(C)c3c2c1	1633351	PRXOEVBGDSMKHD-UHFFFAOYSA-N	338.407	5.609	5	1	EKBF	
CN(C/C=C/c1ccccc1)Cc1cc2ccccc2c2ccccc12	28246692	UJEKKCHLKQPMCQ-FMIVXFBMSA-N	337.466	6.138	5	1	EKBF	
c1ccc2c(c1)c1ccccc1c1[nH]c(-c3ccc(C4CCC4)cc3)nc21	586879744	HZFPWIQNWOXZHG-UHFFFAOYSA-N	348.449	6.804	5	1	EKBF	
Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2ccc(F)c(Cl)c12	587628653	QGFSAWQCKVEFJT-UHFFFAOYSA-N	339.153	5.497	5	1	EKBF	
COc1ccc(C(=O)c2cc3c(ccc4ccccc43)oc2=S)cc1	84652489	RWKPPLOAVOFVHR-UHFFFAOYSA-N	346.407	5.555	5	1	EKBF	
C[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)n1cc(Cl)cn1	587082071	JNULVWKDQDFXQB-LBPRGKRZSA-N	346.821	5.329	5	1	EKBF	
Cc1cc2[nH]c(/C=C/c3cccc4ccccc34)nc2cc1[N+](=O)[O-]	587968701	OFXUCRNXUDGYST-MDZDMXLPSA-N	329.359	5.103	5	1	EKBF	
COc1cccc(C)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1	587786191	IKASYSKODPZRKK-UHFFFAOYSA-N	338.410	5.853	5	1	EKBF	
Clc1cccnc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	587064455	AXAGCBZCWGLELY-UHFFFAOYSA-N	329.790	5.585	5	1	EKBF	
Cc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Cl	587047276	DWWFGZPVPNOHGF-HWKANZROSA-N	348.189	5.257	5	1	EKBF	
C/C(=C/c1nc2c3cccnc3c3ncccc3c2[nH]1)C1CCCCC1	587968801	UIXYMCLSIGAVSU-YPKPFQOOSA-N	342.446	5.643	5	1	EKBF	
COC(=O)c1cc2c3ccccc3[nH]c2c2c1[nH]c1cc(Cl)ccc12	1857606249	DPKQXGLHSCGUAM-UHFFFAOYSA-N	348.789	5.396	5	1	EKBF	
Cc1oc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1[N+](=O)[O-]	587269599	VJSOFXFSSVNJRG-UHFFFAOYSA-N	343.342	5.346	5	1	EKBF	
CCCC1(CCC)CCC2(CC1)CC[N+](C)(CCC[N+](C)(C)C)C2	26744688	DVTHMUBJYGMWTJ-UHFFFAOYSA-N	338.624	5.080	5	1	EKBF	
Cc1c2c(nc3cnc4ccccc4c13)-c1c(ccc3ccccc13)OC2	1857768987	KSMQDQNRDJWAMO-UHFFFAOYSA-N	348.405	5.804	5	1	EKBF	
Cn1c2c3cc(-c4ccccc4)ccc3nc-2c(Cl)c2ccccc21	203809015	QAOXCCWQCRVISM-UHFFFAOYSA-N	342.829	6.152	5	1	EKBF	
Cc1ccc(C=Cc2ccc3ccc4ccc5ccccc5c4c3c2)cc1	2356691488	LQDYTQMWCUPWNJ-UHFFFAOYSA-N	344.457	7.625	5	1	EKBF	
Clc1cccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)c1	473146120	CSBNNYKSNCEJRS-UHFFFAOYSA-N	343.817	6.266	5	1	EKBF	
NCCCCCCCNc1nc2ccccc2c2[nH]c3ccccc3c12	45358749	GBEFEASPCGSFCX-UHFFFAOYSA-N	346.478	5.190	5	1	EKBF	
Cc1c(-c2ccc(F)c(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12	587646300	NGBVENFEPMCUBK-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
O=c1cc(-c2ccncc2)oc2c1cc(-c1ccco1)c1ccccc12	78938537	YYRINQRAIIGEQV-UHFFFAOYSA-N	339.350	5.268	5	1	EKBF	in-vitro
CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4ccccc4)cc3)[C@@H]1C2	95564765	HDVKTJPWCHQSMB-ZEQRLZLVSA-N	346.538	5.922	5	1	EKBF	
NCCCCCCNCc1ccc2ccc3cccc4ccc1c2c34	26476842	DESUUQDDVAZAFH-UHFFFAOYSA-N	330.475	5.193	5	1	EKBF	
CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2cc([N+](=O)[O-])ccc12	587648049	ZJXKNXTYMRRFPT-UHFFFAOYSA-N	333.391	5.106	5	1	EKBF	
Cn1cc2c3cc(Br)ccc3nc-2c2ccc(Cl)cc21	102924412	DBYUQTHOWRKQGP-UHFFFAOYSA-N	345.627	5.247	5	1	EKBF	
CC(C)=CCC/C(C)=C/COc1cccc2nc3c(O)cccc3nc12	103240378	GTZWCZPREISNMM-DTQAZKPQSA-N	348.446	5.560	5	1	EKBF	
Fc1ccc(OCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1	587168284	DXRUQHGPUXRUMM-UHFFFAOYSA-N	342.373	5.587	5	1	EKBF	
O=[N+]([O-])c1cccc(-c2nc3cc(Cl)ccc3n2C2CCCC2)c1	40403480	CDSLFIRTOWWLCO-UHFFFAOYSA-N	341.798	5.380	5	1	EKBF	
Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccncc2)cc1	587648440	DTPZOSKJFUIOSH-UHFFFAOYSA-N	329.359	5.114	5	1	EKBF	
Cc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2cccc([N+](=O)[O-])c12	587646097	SYKKGNUNPSMBBY-UHFFFAOYSA-N	346.361	5.858	5	1	EKBF	
Cc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Cl	587047277	DWWFGZPVPNOHGF-HYXAFXHYSA-N	348.189	5.257	5	1	EKBF	
CC(C)=CCCC(C)=CCOc1ccc(O)c2nc3ccccc3nc12	2356786803	BBZWPAMQYKTVHU-UHFFFAOYSA-N	348.446	5.560	5	1	EKBF	
CCC(C)(C)c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1	586881401	LJVPWWSXNUUYJL-UHFFFAOYSA-N	343.814	5.479	5	1	EKBF	
O=[N+]([O-])c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1	587165535	YSLKHKNHLFMMLL-UHFFFAOYSA-N	339.351	5.006	5	1	EKBF	
Cc1c(-c2cc(F)cc(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587645945	FYFQWSOQBQHDAN-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3ccc(F)cc3)c(-c3ccccc3)[nH]c2c1	587646215	XEYYMRAXOCUGJH-UHFFFAOYSA-N	332.334	5.549	5	1	EKBF	
CCCCCCc1ccc2c(c1)c1ccccc1c(=O)n2CCCC	147405155	FQHADSJCOQHCSU-UHFFFAOYSA-N	335.491	6.078	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)cc3)c(C(F)(F)F)c12	587645933	FLSAOPVFGSFWAF-UHFFFAOYSA-N	340.688	5.415	5	1	EKBF	
O=c1cc(-c2cccc(Cl)c2Cl)oc2ccc3ccccc3c12	1857774512	BMQFDGDDMHIWCN-UHFFFAOYSA-N	341.193	5.920	5	1	EKBF	
O=[N+]([O-])c1ccc(SN2Cc3ccccc3Cc3ccccc32)cc1	84602320	AUORNHFLWODXJM-UHFFFAOYSA-N	348.427	5.213	5	1	EKBF	
CC1(C)CC(/C=C/c2ccc3ccc4cccc5ccc2c3c45)=[N+]([O-])C1	95582064	TWBSBCYRADKEEN-ZRDIBKRKSA-N	339.438	5.978	5	1	EKBF	
Brc1cccc2c1[nH]c1c3c4ccccc4nc-3c[nH]c12	100660616	JWMHUYGTQBXFLA-UHFFFAOYSA-N	336.192	5.065	5	1	EKBF	
O=C(c1cccc(-c2ccccc2)c1)c1coc2cc([N+](=O)[O-])ccc12	587278933	BEGPGXCWXVQQSI-UHFFFAOYSA-N	343.338	5.239	5	1	EKBF	
[O-][N@+]1(Cc2ccccc2)CCc2ccc3sc4ccccc4c3c2C1	253991651	PGRSEHXQPITUAU-QHCPKHFHSA-N	345.467	5.625	5	1	EKBF	
CC1(C)CCC(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1	587959875	BMHSFYQQHDYROZ-UHFFFAOYSA-N	344.462	5.418	5	1	EKBF	
CCCc1cc(=O)c2c(C)c3[nH]c4ccc(Cl)cc4c3c(C)c2[nH]1	5541747	NWJPCOJKMMBFFE-UHFFFAOYSA-N	338.838	5.385	5	1	EKBF	
COc1ccc2oc3nc4ccccc4c-3c(Nc3ccccc3)c2c1	95573659	ARLLDHOZHWVPRV-UHFFFAOYSA-N	340.382	5.838	5	1	EKBF	
CCC[N@@+]1([O-])CCc2ccccc2Oc2c(Cl)cc(Cl)cc21	253694084	AQSHFIFLIALMKU-HXUWFJFHSA-N	338.234	5.557	5	1	EKBF	
Nc1ccc2oc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2c1	587252985	WPLOVVHRCWRXOH-UHFFFAOYSA-N	349.393	5.865	5	1	EKBF	
CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12	587644598	GXUDKVFADNLEFV-UHFFFAOYSA-N	335.190	5.612	5	1	EKBF	
CC[C@H]([C@@H]1c2ccccc2-c2ccc3ccccc3c2N1C)[N+](=O)[O-]	1857758417	PZQZWILPGCNOST-CTNGQTDRSA-N	332.403	5.053	5	1	EKBF	
C/C(=C\c1nc2c3cccnc3c3ncccc3c2[nH]1)C1CCCCC1	587968799	UIXYMCLSIGAVSU-BUHFOSPRSA-N	342.446	5.643	5	1	EKBF	
O=[N+]([O-])c1ccc2nc(-c3cccc4c3ccc3ccccc34)[nH]c2c1	82153502	YCDRZVSFEPEBLA-UHFFFAOYSA-N	339.354	5.445	5	1	EKBF	
Cc1[nH]c2cccc(F)c2c1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	587633920	OPSOIPXGQCMUTR-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
Cc1cc(C)c(Nc2ccccc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	1857601240	MPJHTCYBDHPYMZ-UHFFFAOYSA-N	332.403	5.931	5	1	EKBF	
COc1ncc(F)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	587176608	XNFPVWVXKJHSQZ-UHFFFAOYSA-N	343.361	5.079	5	1	EKBF	
CC[C@H](C)[C@H]1CCc2c1ccc1c2ccc2c3cccc(C)c3ccc12	2356478392	CKCJMHFVCCDXAV-FUHWJXTLSA-N	338.494	7.531	5	1	EKBF	
Oc1ccc([C@@H]2C[C@@H](c3c4ccccc4cc4ccccc34)N=N2)cc1	169724704	GAZUTEYOOWJEAA-VXKWHMMOSA-N	338.410	6.337	5	1	EKBF	
c1ccc2nc3cc4[nH]c(CC5CCCCCC5)nc4cc3nc2c1	587961011	OPTRPRQCGANQPJ-UHFFFAOYSA-N	330.435	5.172	5	1	EKBF	
O=[N+]([O-])c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	49033460	QRBRHTVFQFVYJP-UHFFFAOYSA-N	331.784	5.115	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3ccccc3Cl)c(-c3ccccc3)[nH]c2c1	587644643	JNHWBPAHQJBVMW-UHFFFAOYSA-N	348.789	6.064	5	1	EKBF	
Oc1ccccc1Nc1nc2ccccc2c2[nH]c3ccccc3c12	45385390	ROGUHAGHVAFQJZ-UHFFFAOYSA-N	325.371	5.319	5	1	EKBF	
C[n+]1cc2ccccc2c2cc(-c3ccccc3C(F)(F)F)ccc21	1857537481	JEFDRFYFNXOIAJ-UHFFFAOYSA-N	338.352	5.503	5	1	EKBF	
Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccncc2)cc1	587648582	ITONQIHYVBQVTQ-UHFFFAOYSA-N	329.359	5.114	5	1	EKBF	
Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(Cl)cc1[N+](=O)[O-]	587628452	KZJSLSTVYGSQIG-UHFFFAOYSA-N	339.153	5.497	5	1	EKBF	
CC1(C)CCC(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)CC1	587961742	WKTVDGACACMCGU-UHFFFAOYSA-N	342.486	6.628	5	1	EKBF	
Cc1ccc([C@H]2C[C@@H](c3c4ccccc4cc4ccccc34)N=N2)cc1	169724713	ORDSRUWWRNHCAJ-PKTZIBPZSA-N	336.438	6.940	5	1	EKBF	
O=C1CCC[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1	586884788	IXLKOKXYTYVDNX-AWEZNQCLSA-N	328.415	5.486	5	1	EKBF	
Cc1cc(Cl)cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587048023	PAWHYZISBMFARR-HYXAFXHYSA-N	348.189	5.257	5	1	EKBF	
O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(F)cccc4[nH]3)cc2)cc1	587271967	MCZKMFGJNNIXHU-UHFFFAOYSA-N	349.321	5.070	5	1	EKBF	
CC(C)(C)CC(C)(C)NC[C@@H](O)c1c2ccccc2cc2ccccc12	169338029	KPHLJGGZNLRTGB-OAQYLSRUSA-N	349.518	5.831	5	1	EKBF	
Fc1ccccc1CCc1nc2c3ccccc3c3ccccc3c2[nH]1	587151503	ZJPNMBAMKBPWKN-UHFFFAOYSA-N	340.401	5.794	5	1	EKBF	
CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(Cl)cc3[N+](=O)[O-])c2c1	587642693	URRINVPZUSBOAC-LLVKDONJSA-N	342.826	6.218	5	1	EKBF	
CC(C)=CCC/C(C)=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1	587968862	VFOQIVKBURXOFN-RVDMUPIBSA-N	342.446	5.809	5	1	EKBF	
C[n+]1cc2ccccc2c2cc(-c3ccc(C(F)(F)F)cc3)ccc21	1857538702	IHNFGBLDOVAYHM-UHFFFAOYSA-N	338.352	5.503	5	1	EKBF	
COc1ccc(-c2coc3c2c(=O)oc2c4ccccc4ccc32)cc1	45367066	AQKHMUHNEQUALY-UHFFFAOYSA-N	342.350	5.368	5	1	EKBF	
Cc1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)cc1	71319355	PGHPUXDOJHJKLB-QFIPXVFZSA-N	336.438	5.740	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3ccccc3)c(-c3ccccc3F)[nH]c2c1	587646012	QGAYZOJPXVLIQB-UHFFFAOYSA-N	332.334	5.549	5	1	EKBF	
OCc1ccc(F)c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1	587141057	WBGHXPZAPVMVEE-UHFFFAOYSA-N	342.373	5.168	5	1	EKBF	
COC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c1cccc(O)c1C	14491211	JHLIXQYAUVZKPP-PLYLMYETSA-N	348.442	5.224	5	1	EKBF	
O=[N+]([O-])c1ccc(SN2c3ccccc3C=Cc3ccccc32)cc1	84605020	TZBSERXMPTVFSJ-UHFFFAOYSA-N	346.411	5.924	5	1	EKBF	
CCCCCC(=O)c1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	253994593	ODUODQVUFMPIQR-AQYVVDRMSA-N	344.563	5.962	5	1	EKBF	
CO[C@H]1[N+]([O-])=C(/C=C/c2c3ccccc3cc3ccccc23)CC1(C)C	103084301	FRKFWDRTRGCGSW-CHHLAKQQSA-N	345.442	5.360	5	1	EKBF	
O=[N+]([O-])c1ccccc1-c1c(C2CC2)[nH]c2cc(Cl)c(F)cc12	587631052	GAWCAYHSHCKOHO-UHFFFAOYSA-N	330.746	5.413	5	1	EKBF	
CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587646308	NICGXSDHDCIULU-UHFFFAOYSA-N	334.297	5.324	5	1	EKBF	
O=[N+]([O-])c1ccc(-n2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1	1911581831	IJUCWMWETNFHKU-UHFFFAOYSA-N	349.777	5.254	5	1	EKBF	
CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12	587645195	YUJFFDHGHGRQOG-UHFFFAOYSA-N	335.190	5.612	5	1	EKBF	
O=[N+]([O-])c1ccc(SN2CCc3ccccc3-c3ccccc32)cc1	84602318	NQWZZPJJEBZFPI-UHFFFAOYSA-N	348.427	5.332	5	1	EKBF	
CC(C)(C)[C@@H]1CC[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C1	587968498	DVLDBKDFHMCGQA-ZIAGYGMSSA-N	344.462	5.589	5	1	EKBF	
Cc1cccn2c1cc1c3ccccc3nc(-c3ccc(Cl)o3)c12	1857746790	JMFVZWNFXNGWRC-UHFFFAOYSA-N	332.790	5.863	5	1	EKBF	
Clc1ncc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)s1	587023077	JKRQNNIOQXUXLH-UHFFFAOYSA-N	335.819	5.646	5	1	EKBF	
Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2c(C)cc(Cl)cc12	587623441	HBSVEQLGQGADQE-UHFFFAOYSA-N	335.190	5.667	5	1	EKBF	
O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@@H]1c1cccc2ccccc12	5955936	YMXKIRWWZRAINA-LJQANCHMSA-N	337.762	5.245	5	1	EKBF	
CC(C)(C)c1cccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12	587140326	ZEOPOEWELOEVPW-UHFFFAOYSA-N	347.777	5.228	5	1	EKBF	
c1ccc2c(c1)ccc1ccc(-c3cc4c5c(cccc5n3)CC4)cc12	587214272	QOVGIEZZORPDLG-UHFFFAOYSA-N	331.418	6.307	5	1	EKBF	
O=[N+]([O-])C[C@@H]1c2ccccc2C=C(c2ccccc2)N1c1ccccc1	35825108	YSOBCJGUTOUBTI-JOCHJYFZSA-N	342.398	5.023	5	1	EKBF	
Cc1ccc(OCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1	587565373	DVDCYHZOIHTMSX-UHFFFAOYSA-N	338.410	5.757	5	1	EKBF	
CCC[N@+]1([O-])CCc2ccccc2Oc2c(Cl)cc(Cl)cc21	253694076	AQSHFIFLIALMKU-FQEVSTJZSA-N	338.234	5.557	5	1	EKBF	
CC/C(=C\c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(C)cc1	587966532	ITXIFRWDYLJEIG-XYOKQWHBSA-N	341.798	5.384	5	1	EKBF	
CSc1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587049903	NDURCOKWXPTXDW-XVNBXDOJSA-N	345.811	5.017	5	1	EKBF	
CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(-c4ccoc4)cc3)[C@@H]1C2	95560741	RHULBIJEULGXPV-VXKWHMMOSA-N	336.499	5.515	5	1	EKBF	
c1ccc2nc3cc4[nH]c(CCC5CCCCC5)nc4cc3nc2c1	82157380	PXGKQOOBVAMGQG-UHFFFAOYSA-N	330.435	5.172	5	1	EKBF	
O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Cl)ccc2c2ccccc12	169339616	OSJWDIGYSPEGBG-IERDGZPVSA-N	339.866	5.212	5	1	EKBF	
c1csc(-c2nc3cc4ccccc4cc3nc2-c2cccs2)c1	1485993	KJGKKTZSQZGMIO-UHFFFAOYSA-N	344.464	6.240	5	1	EKBF	
CC[C@@H](C)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(C(C)=O)c2c1	587641545	HAJVEJMTXTXUPW-GFCCVEGCSA-N	336.391	5.459	5	1	EKBF	
C[n+]1c2ccc(F)cc2c(Nc2ccccc2)c2[nH]c3ccccc3c21	13555516	OQTMZFRKUANXRE-UHFFFAOYSA-O	342.397	5.182	5	1	EKBF	
O=[N+]([O-])c1cc(/C=C\c2nc3cc4ccccc4cc3[nH]2)ccc1Cl	587047110	BPRVPEYKYUHKGP-VURMDHGXSA-N	349.777	5.448	5	1	EKBF	
COc1cccc(/C=C/c2cc(=O)oc3c2ccc2ccccc23)c1	1857568156	JNHIUHTXQVYYLL-MDZDMXLPSA-N	328.367	5.125	5	1	EKBF	
Cc1c2ccncc2c(C)c2c1[nH]c1ccc(Oc3ccccc3)cc12	13221011	KWBOFSPIWPBYEG-UHFFFAOYSA-N	338.410	6.278	5	1	EKBF	
Clc1ccccc1-c1cc2c3ccccc3c3ccccc3c2[nH]1	29135694	UANCWQHLNDMIEX-UHFFFAOYSA-N	327.814	6.795	5	1	EKBF	
CC[C@@H](C)c1ccc2[nH]c(C3CC3)c(-c3ccccc3[N+](=O)[O-])c2c1	587640974	CYFHLQAVYZLAMB-CYBMUJFWSA-N	334.419	6.134	5	1	EKBF	
CCc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1Br	587644086	MMOFSOOWKYDDNX-UHFFFAOYSA-N	345.196	5.068	5	1	EKBF	
Cc1ccc([C@@H]2C[C@H](c3c4ccccc4cc4ccccc34)N=N2)cc1	169724714	ORDSRUWWRNHCAJ-XZOQPEGZSA-N	336.438	6.940	5	1	EKBF	
O=Cc1c[nH]c2c1ccc1c3cc(-c4ccc(F)cc4)ccc3[nH]c12	45261233	QLMWVRUUEQQJKG-UHFFFAOYSA-N	328.346	5.421	5	1	EKBF	
CCCCN(CCCC)C[C@H](O)c1cccc2c1ccc1ccccc12	169337053	ADBHYOOJAUFUEG-DEOSSOPVSA-N	349.518	5.929	5	1	EKBF	
Cc1nn(-c2ccccc2)c2ncc3c(Cl)c4ccccc4nc3c12	28975800	XCAVHMXVYQXYDY-UHFFFAOYSA-N	344.805	5.084	5	1	EKBF	
C[N+]12C=CC=C1[C@@H](N1CCCC1)c1scc(-c3ccc(F)cc3)c12	31871185	VIRHJRNIDOVRJJ-FKSKYRLFSA-N	339.459	5.053	5	1	EKBF	
CC(C)=CCCC(C)=CCOc1cccc2nc3c(O)cccc3nc12	2356436261	GTZWCZPREISNMM-UHFFFAOYSA-N	348.446	5.560	5	1	EKBF	
COc1ccc(-c2cc3c(ccc4oc5ccccc5c43)o2)c(C)c1	96931836	BXSVCDNFJJWUCA-UHFFFAOYSA-N	328.367	6.316	5	1	EKBF	
COc1cccc(Nc2c3ccccc3nc3oc4ccccc4c23)c1	45300516	TXJQJFOHYASESR-UHFFFAOYSA-N	340.382	5.886	5	1	EKBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1	587160523	UYHRZFBSNCDMMF-UHFFFAOYSA-N	349.321	5.070	5	1	EKBF	
O=[N+]([O-])c1ccc2c3c(ccc(C(Cl)=Cc4ccccc4)c13)CC2	2356858114	PCWLJFKBYKAJEB-UHFFFAOYSA-N	335.790	5.584	5	1	EKBF	
CCCC1(CCC)CCC2(CC1)CC[N@+](C)(CCC[N+](C)(C)C)C2	299804994	DVTHMUBJYGMWTJ-DEOSSOPVSA-N	338.624	5.080	5	1	EKBF	
[O-][N+]1(Cc2ccccc2)CCc2ccc3sc4ccccc4c3c2C1	36216431	PGRSEHXQPITUAU-UHFFFAOYSA-N	345.467	5.625	5	1	EKBF	
CSc1ccc(-c2csc(Cc3ccc([N+](=O)[O-])cc3)n2)cc1	587924606	FJNQLMQGWPQXMZ-UHFFFAOYSA-N	342.445	5.031	5	1	EKBF	
CCCCN(CCCC)C[C@@H](O)c1cccc2c1ccc1ccccc12	169337051	ADBHYOOJAUFUEG-XMMPIXPASA-N	349.518	5.929	5	1	EKBF	
COc1cccc2c1ccc1c(/C=C/c3ccccc3)cc(=O)oc12	1857620172	BXCWHBAQRKQDDB-ZHACJKMWSA-N	328.367	5.125	5	1	EKBF	
CC1(C)C(/C=C/c2c[nH]c3c([N+](=O)[O-])cccc23)=Nc2ccccc21	96934735	YOJLSNCVUQFQRG-ZHACJKMWSA-N	331.375	5.153	5	1	EKBF	
CCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	101548045	MCHDVAJMYOGPQJ-ZRZAMGCNSA-N	330.580	6.322	5	1	EKBF	
O=[N+]([O-])c1cccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12	587048172	GCRBRZZJKSUCBE-BDAKNGLRSA-N	348.189	5.049	5	1	EKBF	
Cc1ccc(-c2ccc(-c3nc4cc(C)c([N+](=O)[O-])cc4[nH]3)cc2)o1	586905599	VIKGSBGSHNDJAY-UHFFFAOYSA-N	333.347	5.015	5	1	EKBF	
CO[C@@H]1[N+]([O-])=C(/C=C/c2cc3ccccc3c3ccccc23)CC1(C)C	95583436	BYPOMHXMDBPSNA-GNNUASRNSA-N	345.442	5.360	5	1	EKBF	
CCc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587644256	RQJIIVQZPOYQKV-UHFFFAOYSA-N	345.196	5.068	5	1	EKBF	
c1ccc2cc3cc(-c4cc5c6c(cccc6n4)CC5)ccc3cc2c1	587214799	ZAAMVBBGNYQYQF-UHFFFAOYSA-N	331.418	6.307	5	1	EKBF	
CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)c3ccc([N+](=O)[O-])cc3)c2c1	587642909	PWAJKYSLBOSRHS-LBPRGKRZSA-N	336.391	5.129	5	1	EKBF	
CN(C)c1ccc2c(-c3ccccc3)c3ccc(N(C)C)cc3[o+]c2c1	8577555	NGSXFKKYKWBNPO-UHFFFAOYSA-N	343.450	5.666	5	1	EKBF	
Nc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1F	587139536	NUDHUKMZUXGDMW-UHFFFAOYSA-N	327.362	5.258	5	1	EKBF	
O=C1CCC[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)CC1	586884789	IXLKOKXYTYVDNX-CQSZACIVSA-N	328.415	5.486	5	1	EKBF	
CC(C)c1cccc(C(C)C)c1N1Cc2c(cccc2[N+](=O)[O-])C1=O	28530121	QWDHMEXDGLKPLI-UHFFFAOYSA-N	338.407	5.002	5	1	EKBF	
Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(Cl)cc1[N+](=O)[O-]	587627898	FCOVYGAZDNFOLW-UHFFFAOYSA-N	339.153	5.497	5	1	EKBF	
CCCCN(CCCC)C[C@@H](O)c1cccc2cc3ccccc3cc12	169336979	AYUWFSQCVWKGFC-XMMPIXPASA-N	349.518	5.929	5	1	EKBF	
Cn1c2ccccc2c(=Nc2cccc(F)c2)c2oc3ccccc3c21	1772590999	XYGBYDIJZJTPJJ-UHFFFAOYSA-N	342.373	5.449	5	1	EKBF	
O=[N+]([O-])c1ccc(-c2c(-c3ccccc3)ncc3ccc(F)cc23)cc1	36388756	MARAMZAUIOXFDZ-UHFFFAOYSA-N	344.345	5.616	5	3	EKBF	
CC(C)=CCc1ccc(O)c2nc3c(CC=C(C)C)ccc(O)c3nc12	2356527021	SZJSNUXMGRYGIO-UHFFFAOYSA-N	348.446	5.212	5	1	EKBF	
CC[C@@H](C)[C@@H]1CCc2c1ccc1c2ccc2c3cccc(C)c3ccc12	238742830	CKCJMHFVCCDXAV-AEFFLSMTSA-N	338.494	7.531	5	1	EKBF	
O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(F)ccc4[nH]3)cc2)cc1	587272665	XNUBCSWWQWLDMB-UHFFFAOYSA-N	349.321	5.070	5	1	EKBF	
Oc1cccc(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)c1	586896080	JDTXNVDVSFUNPY-UHFFFAOYSA-N	338.410	5.360	5	1	EKBF	
CC(C)OCCCNCc1ccc2ccc3cccc4ccc1c2c34	26475042	KXXSQWPYOIPVHI-UHFFFAOYSA-N	331.459	5.489	5	1	EKBF	
COc1cccc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c1	587930589	IOXMYQOTIQPZQH-UHFFFAOYSA-N	338.410	5.469	5	1	EKBF	
Cc1c2c(nc3cnc4ccccc4c13)-c1cc(Cl)ccc1OC2	1857651668	BGAUINHRGUIINS-UHFFFAOYSA-N	332.790	5.304	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3)c12	587645581	DOYGSRDOCFYBKM-UHFFFAOYSA-N	332.334	5.549	5	1	EKBF	
Cc1c(-c2ccc(F)cc2C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12	587646605	XDSXYYPRDKIREX-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
COC(=O)C=CC=CC=CC=CC=CC=CC=Cc1cccc(O)c1C	2356690762	JHLIXQYAUVZKPP-UHFFFAOYSA-N	348.442	5.224	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(-c3ccc(F)cc3)c12	587645570	DABDMTXBKCUJSN-UHFFFAOYSA-N	332.334	5.549	5	1	EKBF	
C[C@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)n1cc(Cl)cn1	587082070	JNULVWKDQDFXQB-GFCCVEGCSA-N	346.821	5.329	5	1	EKBF	
CC[C@H](C)c1ccc2[nH]c(-c3c[nH]c4ccc([N+](=O)[O-])cc34)c(C)c2c1	587643724	WZNUDGUJXVQSBW-LBPRGKRZSA-N	347.418	6.046	5	1	EKBF	
CCCCOc1ccc2c(Nc3cccc([N+](=O)[O-])c3)ccnc2c1	1857565043	VCMUITJWNIHRSW-UHFFFAOYSA-N	337.379	5.066	5	1	EKBF	
CSc1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587049901	NDURCOKWXPTXDW-CLTKARDFSA-N	345.811	5.017	5	1	EKBF	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)c2coc3ccccc23)o1	587280406	CZKASKRYKLKWMX-UHFFFAOYSA-N	347.326	5.140	5	1	EKBF	
Cc1c(-c2cccc(C(F)(F)F)c2F)[nH]c2cc([N+](=O)[O-])ccc12	587646088	JIZMXBGNPHILSJ-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
Cc1ccccc1N=c1c2ccccc2n(C)c2c1oc1ccccc12	1772608760	CYDJAVRZGDDEOT-UHFFFAOYSA-N	338.410	5.619	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12	587165309	PPHLHIRQNNULBR-UHFFFAOYSA-N	339.351	5.006	5	1	EKBF	
CC[C@@H](C)[C@H]1CCc2c1ccc1c2ccc2c3cccc(C)c3ccc12	2356478393	CKCJMHFVCCDXAV-SJLPKXTDSA-N	338.494	7.531	5	1	EKBF	
O=[N+]([O-])c1ccc2c(C(F)(F)F)c(-c3ccc(F)cc3F)[nH]c2c1	587645329	QEVOZESXAVBNDC-UHFFFAOYSA-N	342.223	5.040	5	1	EKBF	
CCCC[N+](CCCC)(CCCC)CC1=CC(C)(C)N([O])C1(C)C	84480351	HEEHKQGQFZTHGJ-UHFFFAOYSA-N	338.580	5.348	5	1	EKBF	
Cc1[nH]c2cc(Cl)c(F)cc2c1-c1c([N+](=O)[O-])ccc(F)c1F	587629395	NXSYQUJFSNKWBV-UHFFFAOYSA-N	340.688	5.122	5	1	EKBF	
CCCOc1ccc(NCC(C)C)c2c(=O)c3ccccc3sc12	1857745849	QDSOWPWCHPFNMY-UHFFFAOYSA-N	341.476	5.271	5	1	EKBF	
O=[N+]([O-])C[C@@H](c1ccccc1)c1c(C2CCCCC2)[nH]c2ccccc12	1857602420	MKFNDDOEEADMLA-IBGZPJMESA-N	348.446	5.624	5	1	EKBF	
O=[N+]([O-])c1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)cc1	3832045	HKDMFCFZBNJOPS-UHFFFAOYSA-N	341.370	5.319	5	1	EKBF	
C[C@H](O)c1ncc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)s1	587021081	FFEMZPZVMJTWTM-NSHDSACASA-N	345.427	5.046	5	1	EKBF	
CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)c3ccc([N+](=O)[O-])cc3)c2c1	587642908	PWAJKYSLBOSRHS-GFCCVEGCSA-N	336.391	5.129	5	1	EKBF	
CC(C)=CCC/C(C)=C\c1nc2c3cccnc3c3ncccc3c2[nH]1	587966733	GGUOLLQEHYXONG-SQFISAMPSA-N	342.446	5.809	5	1	EKBF	
C[n+]1c2c3c(nc(-c4ccccc4)cc3c3ccccc31)-c1ccccc1-2	1772582775	IRCPLCUXOZWFBG-UHFFFAOYSA-N	345.425	5.527	5	1	EKBF	
COc1ccc2[nH]c3c(C)c4ccnc(NCC(C)C)c4c(C)c3c2c1	6069474	VOVCDYFLFBEULD-UHFFFAOYSA-N	347.462	5.563	5	1	EKBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1ccc(Cl)c(Cl)c1	587644621	IGXSCVPQRCXEPG-UHFFFAOYSA-N	335.190	5.282	5	1	EKBF	
CC[C@H]1CCc2c1ccc1c2ccc2c3c(ccc21)C(C)(C)CCC3	238744895	KXPXSQFBCVKPBU-INIZCTEOSA-N	328.499	7.047	5	1	EKBF	
O=[N+]([O-])c1ccc(SN2c3ccccc3Cc3ccccc32)cc1	84605022	LEHVAUHMFFVNBQ-UHFFFAOYSA-N	334.400	5.344	5	1	EKBF	
CC(C)CCOC(=O)[C@H](C)c1ccc2c(=O)c3ccccc3ccc2c1	39220566	UZKLADGERRENMY-MRXNPFEDSA-N	348.442	5.046	5	1	EKBF	
CSc1ccc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1	587924617	FTCLMOHOVGEXCC-UHFFFAOYSA-N	328.418	5.107	5	1	EKBF	
Clc1ccc2[nH]c3c[nH]c4c5cccc(Cl)c5nc-4c3c2c1	100660660	RNWACYSDGIGSKX-UHFFFAOYSA-N	326.186	5.609	5	1	EKBF	
Oc1ccc(-c2cccc3c2[nH]c2ccc4ccc(O)cc4c23)cc1	14945703	NJXCPEFNCOTBNA-UHFFFAOYSA-N	325.367	5.553	5	1	EKBF	
CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+]1(Cc3ccccc3)CCCC1)C2	45368341	CJLCUKUYGPWFII-QNWVGRARSA-N	342.547	5.029	5	1	EKBF	
Cc1c(-c2cc(C(F)(F)F)ccc2F)[nH]c2cc([N+](=O)[O-])ccc12	587646282	NAMVZEYTABBKPA-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
O=[N+]([O-])c1ccc2c(C(F)(F)F)c(-c3c[nH]c4ccccc34)[nH]c2c1	587646635	YWEMMRLCRVXNDR-UHFFFAOYSA-N	345.280	5.243	5	1	EKBF	
FC(F)(F)[C@H]1C[C@@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1	587092976	JAQLSLZPQILVCN-GJZGRUSLSA-N	326.321	5.535	5	1	EKBF	
Cc1ccc(C)c(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c1	587958461	DNLLZOANMMAFRY-UHFFFAOYSA-N	336.438	6.077	5	1	EKBF	
Clc1ccc(-c2nc3ccccc3c3cc4ccccn4c23)s1	1857636221	RCPCPTILWIXAGO-UHFFFAOYSA-N	334.831	6.023	5	1	EKBF	
CCC[N+]1([O-])CCc2ccccc2Oc2c(Cl)cc(Cl)cc21	26401857	AQSHFIFLIALMKU-UHFFFAOYSA-N	338.234	5.557	5	1	EKBF	
c1ccc2c(c1)cc(-c1cc3c4c(cccc4n1)CC3)c1ccccc12	587214615	VHNCQYLERKJWLB-UHFFFAOYSA-N	331.418	6.307	5	1	EKBF	
CC[C@@H](C)c1ccc2[nH]c(C)c(-c3c([N+](=O)[O-])ccc(F)c3F)c2c1	587641966	KZLLUDJBCJAJNK-SNVBAGLBSA-N	344.361	5.843	5	1	EKBF	
CN(C/C=C/c1ccccc1)Cc1c2ccccc2cc2ccccc12	28247463	COJOLKYTFMULNM-FMIVXFBMSA-N	337.466	6.138	5	1	EKBF	
CCCCCCc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1	45336194	QSNQITYIFPAWTE-UHFFFAOYSA-N	344.386	5.109	5	1	EKBF	
Cc1cc(=O)oc2c1ccc1c(O[C@H](C)c3ccccc3)cccc12	49784150	XOSJXMOUZTWNDU-OAHLLOKOSA-N	330.383	5.395	5	1	EKBF	
CC(C)(C)CC(C)(C)NC[C@H](O)c1c2ccccc2cc2ccccc12	169338030	KPHLJGGZNLRTGB-NRFANRHFSA-N	349.518	5.831	5	1	EKBF	
CC(C)c1[nH]c2cccc([N+](=O)[O-])c2c1Cc1ccc(Cl)cc1	587644799	OHKZDCQDMFDEIL-UHFFFAOYSA-N	328.799	5.444	5	1	EKBF	
O=c1cc(-c2ccc(C(F)(F)F)cc2)oc2c1ccc1ccccc12	1772584640	ZBJLNQMFLGVMEK-UHFFFAOYSA-N	340.300	5.632	5	1	EKBF	
Cn1cc2c3cc(Br)ccc3nc-2c2cc(Cl)ccc21	102924406	HLLMQAJIHXLHER-UHFFFAOYSA-N	345.627	5.247	5	1	EKBF	
Clc1ccc2c(c1)[nH]c1c2ccc2c3cc(Cl)ccc3[nH]c21	2356782740	KEROTOFPSAXUQS-UHFFFAOYSA-N	325.198	6.262	5	1	EKBF	
O=[N+]([O-])c1ccc(-c2nc3c4ccccc4c4occc4c3[nH]2)cc1	45348805	VFCFBDAEWCMMSE-UHFFFAOYSA-N	329.315	5.038	5	1	EKBF	
C[N@+]12C=CC=C1[C@H](N1CCCC1)c1scc(-c3ccc(F)cc3)c12	254201710	VIRHJRNIDOVRJJ-MBSDFSHPSA-N	339.459	5.053	5	1	EKBF	
O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Cl)ccc2c2ccccc12	169339613	OSJWDIGYSPEGBG-KKSFZXQISA-N	339.866	5.212	5	1	EKBF	
Clc1ccccc1N=c1c2ccccc2[nH]c2c1[nH]c1ccccc12	473147705	FWCOPUVPZRIHAV-UHFFFAOYSA-N	343.817	5.688	5	1	EKBF	
O=c1c2ccc(Cl)cc2sc2c(Cl)nc3ccccc3c12	221069747	LFNUHICDQLMVAJ-UHFFFAOYSA-N	332.211	5.270	5	1	EKBF	
c1ccc2[nH]c(Sc3c4ccccc4nc4ccccc34)nc2c1	212342516	IWVOHERHKLIIHB-UHFFFAOYSA-N	327.412	5.416	5	1	EKBF	
Cc1ccccc1Nc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12	1772625913	CLEGEXVRXCCZMY-UHFFFAOYSA-O	338.434	5.351	5	1	EKBF	
c1ccc2c3c(ccc2c1)OCc1cc2c(cnc4ccccc42)nc1-3	1857651549	PUWZYEXVVVHYLF-UHFFFAOYSA-N	334.378	5.496	5	1	EKBF	
CC(C)=CCC/C(C)=C/c1nc2c3cccnc3c3ncccc3c2[nH]1	587966732	GGUOLLQEHYXONG-FYWRMAATSA-N	342.446	5.809	5	1	EKBF	
CC(C)(C)[C@@H]1CC[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)C1	587968938	JAXUCWITOSGYLD-HZPDHXFCSA-N	342.486	6.799	5	1	EKBF	
O=[N+]([O-])C[C@H]1c2ccccc2C=C(c2ccccc2)N1c1ccccc1	35825106	YSOBCJGUTOUBTI-QFIPXVFZSA-N	342.398	5.023	5	1	EKBF	
Cc1cc(Cl)cc2c(-c3ccccc3[N+](=O)[O-])c(C3CC3)[nH]c12	587626990	LGYVWWDTAIVIRI-UHFFFAOYSA-N	326.783	5.582	5	1	EKBF	
CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OCC[N+]1(Cc3ccccc3)CCCC1)C2	169315578	CJLCUKUYGPWFII-FUPPJEDESA-N	342.547	5.029	5	1	EKBF	
C(=C/c1nc2c3ccccc3c3ccccc3c2[nH]1)\c1ccsc1	587026829	YFDAJADQIHATPI-MDZDMXLPSA-N	326.424	6.101	5	1	EKBF	
Cc1c(-c2ccc(F)cc2C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12	587646315	NVBXLSOJNHSNTM-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
Cc1cc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2cc1[N+](=O)[O-]	587960922	GXNRLUHXBBAWOS-UHFFFAOYSA-N	343.386	5.037	5	1	EKBF	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[N+]1(Cc3ccccc3)CCCC1)C2	169315576	CJLCUKUYGPWFII-FUDKSRODSA-N	342.547	5.029	5	1	EKBF	
C[C@H](SCc1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586963875	RNNMTOOKMCLGOG-JTQLQIEISA-N	347.827	5.119	5	1	EKBF	
Cc1c(-c2ccc(C(F)(F)F)c(F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587646602	WZSMFMXNDUVYJT-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
CCCCN1C(=O)c2cccc3c2c(cc2c4ccccc4oc32)C1=O	95587676	NTEUSJLTOVIOEI-UHFFFAOYSA-N	343.382	5.135	5	1	EKBF	
O=NCc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1	587190908	UQXXQISPBQQFRY-UHFFFAOYSA-N	337.382	5.803	5	1	EKBF	
O=[N+]([O-])c1ccc(SN2c3ccccc3N=Nc3ccccc32)cc1	84617736	JTSLAYDWNLZNHK-UHFFFAOYSA-N	348.387	6.169	5	1	EKBF	
COc1ccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc1	473148487	GIHFYKGJPXTYQZ-UHFFFAOYSA-N	339.398	5.622	5	1	EKBF	
CC[C@@H]([C@H]1c2ccccc2-c2ccc3ccccc3c2N1C)[N+](=O)[O-]	1857758419	PZQZWILPGCNOST-PZJWPPBQSA-N	332.403	5.053	5	1	EKBF	
CC[C@@H]1CCc2c1ccc1c2ccc2c3c(ccc21)C(C)(C)CCC3	2356615673	KXPXSQFBCVKPBU-MRXNPFEDSA-N	328.499	7.047	5	1	EKBF	
CC[C@@H]1OCCC[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1	586908728	CZGBNGDMSDQRNE-MOPGFXCFSA-N	330.431	5.542	5	1	EKBF	
C/C(=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1)C1CCCCC1	587968158	PKYLFMDWKNFBDF-KAMYIIQDSA-N	342.446	5.643	5	1	EKBF	
O=[N+]([O-])c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1	587049560	MWZKMIQBMXKYKM-NXEZZACHSA-N	348.189	5.049	5	1	EKBF	
CC(C)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cccc(Cl)c1	587644581	FWPBKDQNNMFUMO-UHFFFAOYSA-N	328.799	5.595	5	1	EKBF	
O=[N+]([O-])c1cccc(-c2c(-c3ccccc3)ncc3ccc(F)cc23)c1	36388767	XCWCLZYBTMGFPD-UHFFFAOYSA-N	344.345	5.616	5	3	EKBF	
Fc1ccc(S)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	587142671	KFKSSZGSNMGQOM-UHFFFAOYSA-N	344.414	5.964	5	1	EKBF	
CCCCNCC[C@@H](O)c1c2ccccc2c(Cl)c2ccccc12	59796709	YBEAFEROPKNPDK-LJQANCHMSA-N	341.882	5.460	5	1	EKBF	
CNc1c(F)cccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	587135877	QXOWWAGHDSJGQD-UHFFFAOYSA-N	341.389	5.717	5	1	EKBF	
C[N+]1(C)CCC[C@@H]1c1ccc([C@@H](c2ccccc2)C2CCCCC2)o1	45258041	OGTLDFSTCJABJV-OFNKIYASSA-N	338.515	5.903	5	1	EKBF	
CC(C)C[C@H](CO)NCc1ccc2ccc3cccc4ccc1c2c34	26471641	KLNXEKNUOFREFP-HXUWFJFHSA-N	331.459	5.081	5	1	EKBF	
Fc1cccc(Cl)c1-c1nc2c3ccccc3c3ccccc3c2o1	29135748	BFBCUJVXEUEBLJ-UHFFFAOYSA-N	347.776	6.594	5	1	EKBF	
Cn1c2c3cc(Br)ccc3nc-2cc2cc(Cl)ccc21	136504562	GZOAUGMGVVYKJM-UHFFFAOYSA-N	345.627	5.247	5	1	EKBF	
Cc1cccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12	587271520	DWODHWJNSLSNJE-UHFFFAOYSA-N	345.358	5.239	5	1	EKBF	
Fc1ccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)cc1	473150994	NZQMNKQGVZSXOI-UHFFFAOYSA-N	327.362	5.752	5	1	EKBF	
CC(C)=CCCC(C)=CCc1ccc(O)c2nc3cccc(O)c3nc12	2356703578	KKTBUJKAFHLZPF-UHFFFAOYSA-N	348.446	5.429	5	1	EKBF	
C[N+]1(C)CCC[C@H]1c1ccc([C@@H](c2ccccc2)C2CCCCC2)o1	45258045	OGTLDFSTCJABJV-REWPJTCUSA-N	338.515	5.903	5	1	EKBF	
O=[N+]([O-])c1ccc(Sc2ccccc2Br)c(Cl)c1	299840890	WOPCXPYDGOPVBM-UHFFFAOYSA-N	344.617	5.162	5	1	EKBF	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Cl)cccc3[nH]2)o1	587264178	CQVQUKYKZVCDPJ-UHFFFAOYSA-N	339.738	5.052	5	1	EKBF	
CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2cccc([N+](=O)[O-])c12	587647830	QUTKZUFAWGHBMQ-UHFFFAOYSA-N	333.391	5.106	5	1	EKBF	
C[N+]1(C)CCC[C@H]1c1ccc(C(c2ccccc2)c2ccccc2)o1	45317440	QGJWMGIPVUWDAK-FQEVSTJZSA-N	332.467	5.371	5	1	EKBF	
O=[N+]([O-])c1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1Cl	587967762	JLSFHCCNOCVELA-HJWRWDBZSA-N	349.777	5.448	5	1	EKBF	
Cc1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2cc1C	587265891	UOKWFNOBKPTURN-UHFFFAOYSA-N	333.347	5.015	5	1	EKBF	
Oc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(Cl)c1	587054154	LTYNTWJQPVGIKW-UHFFFAOYSA-N	344.801	5.895	5	1	EKBF	
Cc1cc2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2cc1[N+](=O)[O-]	587054755	QRXDZIAXUCPSMH-WAYWQWQTSA-N	348.189	5.257	5	1	EKBF	
C[N+]1(C)CCC[C@H]1c1ccc([C@H](c2ccccc2)C2CCCCC2)o1	45258052	OGTLDFSTCJABJV-NZQKXSOJSA-N	338.515	5.903	5	1	EKBF	
O=Cc1c[nH]c2c1ccc1c3cc(-c4ccc(F)cc4F)ccc3[nH]c12	45290801	BFWHRHJPPAUSLJ-UHFFFAOYSA-N	346.336	5.560	5	1	EKBF	
C[C@@H](SCc1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586963876	RNNMTOOKMCLGOG-SNVBAGLBSA-N	347.827	5.119	5	1	EKBF	
CC(C)=CCC/C(C)=C/CC[C@@]1(C)O[C@@H]1Cc1c[nH]c([N+](=O)[O-])c1	66111525	NDZMZBQXLOVJER-AXTVGJDGSA-N	332.444	5.096	5	1	EKBF	
Cn1c2nc3ccccc3c-2c(Cl)c2cc(Br)ccc21	102999824	YBJPTGMDQCBXJH-UHFFFAOYSA-N	345.627	5.247	5	1	EKBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(F)cc2[nH]1	586968635	GSZCBPJQJAVXKR-UHFFFAOYSA-N	345.399	5.025	5	1	EKBF	
C[n+]1cc2ccccc2c2cc(-c3ccc(-c4ccccc4)cc3)ccc21	1857538437	PKLSOTBNMYMNKW-UHFFFAOYSA-N	346.453	6.152	5	1	EKBF	
CCN(CC)c1ccc(-c2c3ccccc3[n+](C)c3ccccc23)cc1	139571819	OWUVUIASZIGUEV-UHFFFAOYSA-N	341.478	5.331	5	1	EKBF	
CN(C)CCSc1nc2ccccc2c2c1ccc1ccccc12	13742151	NKWCWHRGRRDWFK-UHFFFAOYSA-N	332.472	5.195	5	1	EKBF	
O=[N+]([O-])c1cccc(-c2cc(-c3ccncc3)c(-c3ccccc3)[nH]2)c1	3832079	RGZLDMQEPQXOPS-UHFFFAOYSA-N	341.370	5.319	5	1	EKBF	
O=C(Nc1ccc2nc3ccccc3nc2c1)c1cccc2ccccc12	96932238	CARWKMYKTGGDNL-UHFFFAOYSA-N	349.393	5.189	5	1	EKBF	
CC(C)Cc1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12	587644601	HCWMPMYSPNTSOD-UHFFFAOYSA-N	328.799	5.595	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]c2c1	587645158	XWEWQIQZTMZDGE-UHFFFAOYSA-N	348.789	6.064	5	1	EKBF	
O=[N+]([O-])c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1	587049563	MWZKMIQBMXKYKM-VHSXEESVSA-N	348.189	5.049	5	1	EKBF	
CC[C@H](C)c1ccc2[nH]c(C3CC3)c(-c3ccccc3[N+](=O)[O-])c2c1	587640975	CYFHLQAVYZLAMB-ZDUSSCGKSA-N	334.419	6.134	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(-c3ccccc3F)c12	587645668	HEEFPPZXCLPENV-UHFFFAOYSA-N	332.334	5.549	5	1	EKBF	
CC(C)c1c(Cc2cccc(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12	587645148	XLDWQYOPYGECOL-UHFFFAOYSA-N	328.799	5.444	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3c[nH]c4ccccc34)c(C(F)(F)F)c12	587646257	MGANAAYEUFKPFG-UHFFFAOYSA-N	345.280	5.243	5	1	EKBF	
C[n+]1c2ccc(F)cc2c(Oc2ccccc2)c2[nH]c3ccccc3c21	13555519	DYBZYKKMLHCICP-UHFFFAOYSA-O	343.381	5.230	5	1	EKBF	
CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12	587645704	BLHMXJFPEJWRAR-UHFFFAOYSA-N	334.297	5.324	5	1	EKBF	
CCOCc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)o1	586903981	WKFITXVJZWKTAF-UHFFFAOYSA-N	342.398	5.666	5	1	EKBF	
CCCCN(CCC)C[C@H](O)c1ccc2cc3ccccc3cc2c1	169336985	YNCQXCNYYMVDEJ-QHCPKHFHSA-N	335.491	5.539	5	1	EKBF	
CCOc1ccc2ccc3c(OCC)c4ccccc4c4ccc1c2c34	5863633	IFBRNTLNDNNYJY-UHFFFAOYSA-N	340.422	6.535	5	1	EKBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1Cc1ccc(Cl)c(Cl)c1	587645153	XRGHDXVWBJVENC-UHFFFAOYSA-N	335.190	5.282	5	1	EKBF	
COc1cccc2oc3cc(-c4ccc5[nH]ccc5c4)ccc3c(=O)c12	15935766	SMFRTESAWGAGAJ-UHFFFAOYSA-N	341.366	5.103	5	3	EKBF	
Cc1c(-c2cc(Cl)cc(Cl)c2O)[nH]c2cc([N+](=O)[O-])ccc12	587644922	QWSGKZJZTLADBI-UHFFFAOYSA-N	337.162	5.064	5	1	EKBF	
C[n+]1cc2ccccc2c2cc(-c3cccc(C(F)(F)F)c3)ccc21	1857538531	OXMAPJLUJJXJSZ-UHFFFAOYSA-N	338.352	5.503	5	1	EKBF	
O=[N+]([O-])c1ccc(SN2c3ccccc3Oc3ccccc32)cc1	84605026	CLRPZBGZRXPZSD-UHFFFAOYSA-N	336.372	5.546	5	1	EKBF	
Cc1[nH]c2ccc(F)c(Cl)c2c1-c1c([N+](=O)[O-])ccc(F)c1F	587629439	QHHIVHBFCJHURK-UHFFFAOYSA-N	340.688	5.122	5	1	EKBF	
CCN(CC)CCNc1ccc2oc3ccccc3c3c2c1cn3CC	40762346	IVKAKABPCYVMAL-UHFFFAOYSA-N	349.478	5.314	5	1	EKBF	
O=C(c1ccc([N+](=O)[O-])cc1)c1c(-c2ccccc2)oc2ccccc12	96922066	PTPSAWSUHNTXFC-UHFFFAOYSA-N	343.338	5.239	5	1	EKBF	
O=[N+]([O-])c1ccc2c(C(F)(F)F)c(-c3cc(F)ccc3F)[nH]c2c1	587646656	ZMONFLGXCIDXLM-UHFFFAOYSA-N	342.223	5.040	5	1	EKBF	
CC(C)(C)[C@@H]1CC[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C1	587970118	YUATVURLSMEDJE-ZIAGYGMSSA-N	344.462	5.589	5	1	EKBF	
CCc1c(C)nc(Cl)c([N+](=O)[O-])c1Sc1cc(C)cc(C)c1	29469018	YYYBZVQGUYAPJJ-UHFFFAOYSA-N	336.844	5.282	5	1	EKBF	
COc1cccc2c1c(O)cc1oc3c(ccc4cccc(O)c43)c12	299834946	WJWZJXZBHYSKCI-UHFFFAOYSA-N	330.339	5.312	5	1	EKBF	
O=[N+]([O-])c1cccc(-c2[nH]c3cccc(F)c3c2-c2ccccc2)c1	587635682	LOCPNIYYPXUCEA-UHFFFAOYSA-N	332.334	5.549	5	1	EKBF	
O=C(c1ccc(-c2cccs2)cc1)c1coc2cc([N+](=O)[O-])ccc12	587280119	JZLSBCAJRMOAGN-UHFFFAOYSA-N	349.367	5.301	5	1	EKBF	
CCCCN(CCCC)c1ccc2nc3ccc(=O)cc-3sc2c1	203532987	BEQBSJMGWAQWEW-UHFFFAOYSA-N	340.492	5.168	5	1	EKBF	
CCCCCCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1	45375247	OOLOMJAOICYCFS-UHFFFAOYSA-N	344.386	5.109	5	1	EKBF	
O=C(c1ccc(-c2ccccc2)s1)c1coc2cc([N+](=O)[O-])ccc12	587280358	UQIKPTAVWHHONV-UHFFFAOYSA-N	349.367	5.301	5	1	EKBF	
CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1Cc1ccc(Cl)cc1	587644391	AKDCTHPZEQBFQW-UHFFFAOYSA-N	342.826	5.618	5	1	EKBF	
Fc1cccc(Cl)c1-c1nc2ccccc2c2c1[nH]c1ccccc12	299865237	SYNKUWFKUXDYMN-UHFFFAOYSA-N	346.792	6.329	5	1	EKBF	
CC(C)=CCC/C(C)=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1	587968860	VFOQIVKBURXOFN-PTNGSMBKSA-N	342.446	5.809	5	1	EKBF	
Clc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	29135851	WANOSZNOBPFLFO-UHFFFAOYSA-N	328.802	6.190	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccccn3)c(-c3ccc(Cl)cc3)c12	587645217	ZUCRUGGZJYNDDY-UHFFFAOYSA-N	349.777	5.459	5	1	EKBF	
CC[N+](CC)(CC)[C@@H](C)COc1ccc(/C=C/c2ccccc2)cc1	64539680	GRLLGPYGXVUYEC-AIGDTVQASA-N	338.515	5.501	5	1	EKBF	
Cc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C)ccc1Br	587644258	RTKCXVHKGQGKDB-UHFFFAOYSA-N	345.196	5.122	5	1	EKBF	
Cc1ccccc1-c1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1	587958932	IAYMZWRPYBOCDG-UHFFFAOYSA-N	343.386	5.037	5	1	EKBF	
[O-][N@@+]1(Cc2ccccc2)CCc2ccc3sc4ccccc4c3c2C1	253991648	PGRSEHXQPITUAU-HSZRJFAPSA-N	345.467	5.625	5	1	EKBF	
Fc1nc(Cl)ccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	587177907	GFGCUGTWQNIZJD-UHFFFAOYSA-N	347.780	5.724	5	1	EKBF	
COc1ccc2[nH]c3c(C)c4ccnc(N5CCCCC5)c4cc3c2c1	6069479	PKYFZGXMNNKICP-UHFFFAOYSA-N	345.446	5.177	5	1	EKBF	
CCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2cccc([N+](=O)[O-])c12	587644446	DDGZUKSFSIFHBV-UHFFFAOYSA-N	349.217	6.002	5	1	EKBF	
C[N+]1(C)[C@H]2CC[C@@H]1CC(OC1c3ccccc3C=Cc3ccccc31)C2	13685333	RQORBEVMVRZOCV-WCRBZPEASA-N	346.494	5.046	5	1	EKBF	
Cn1c2c3ccc(Br)cc3nc-2c(Cl)c2ccccc21	377811972	ISUQWABBZHOZOJ-UHFFFAOYSA-N	345.627	5.247	5	1	EKBF	
Nc1ccc(/C=C/c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1	587251519	HSHPSXLPRZCSQH-SDNWHVSQSA-N	335.410	5.622	5	1	EKBF	
OCc1c2c(cc3c4ccccc4n(CC4CC4)c13)[nH]c1ccccc12	1911573793	BAFGXLAJWZHZGC-UHFFFAOYSA-N	340.426	5.331	5	1	EKBF	
CCCCN(CCCC)C[C@H](O)c1cc2ccccc2c2ccccc12	100690713	SODSTPLOUZHIFD-DEOSSOPVSA-N	349.518	5.929	5	1	EKBF	
Cc1cc2[nH]c(-c3cccc(-c4ccccc4F)c3)nc2cc1[N+](=O)[O-]	587152922	IFBPQEOVYVDJPR-UHFFFAOYSA-N	347.349	5.253	5	1	EKBF	
Cc1cc2[nH]c(-c3c(C)cccc3-c3ccccc3)nc2cc1[N+](=O)[O-]	586880178	ZTLGOFQTUHGOCA-UHFFFAOYSA-N	343.386	5.422	5	1	EKBF	
CCCCN(CCCC)C[C@H](O)c1cccc2ccc3ccccc3c12	169337267	CPBLLRGKDSUKBH-QHCPKHFHSA-N	349.518	5.929	5	1	EKBF	
Cc1cccc(-c2ccccc2)c1-c1nc2cccc([N+](=O)[O-])c2[nH]1	586879443	RBGNIWQDYPNSGY-UHFFFAOYSA-N	329.359	5.114	5	1	EKBF	
c1ccc(-c2cc(-c3cccnc3)c3c(ccc4ccccc43)n2)nc1	248712	PMNJPDCNQWWKBZ-UHFFFAOYSA-N	333.394	5.512	5	1	EKBF	
C[N+]1(CCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1	13679890	NKXQMWYFXAHFAC-UHFFFAOYSA-N	338.624	5.368	5	1	EKBF	
CCn1c2ccccc2c2c(C=O)c3c(cc21)c1ccccc1n3C	1911583590	RSVSSRGFBZSGBY-UHFFFAOYSA-N	326.399	5.272	5	1	EKBF	
Cc1[nH]c2c(C)cc(Cl)cc2c1-c1ccc(Cl)cc1[N+](=O)[O-]	587623988	VIYMMLPLDCJOOU-UHFFFAOYSA-N	335.190	5.667	5	1	EKBF	
c1cc2ccc3ccc(-[n+]4csc5ccccc54)c4ccc(c1)c2c34	1857563533	NDFZPEHPVZQAKN-UHFFFAOYSA-N	336.439	6.075	5	1	EKBF	
Cn1c2c3ccccc3nc-2c(-c2ccccc2)c2cc(F)ccc21	203835040	KOWQUONPBVUCPG-UHFFFAOYSA-N	326.374	5.637	5	1	EKBF	
Cc1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c1	586974680	XFBWMSXQTMEEJO-UHFFFAOYSA-N	341.436	5.195	5	1	EKBF	
c1ccc2nc(-c3nc4ccccc4c4c3[nH]c3ccccc34)ccc2c1	299867416	XZDAMNZCYGYLOX-UHFFFAOYSA-N	345.405	6.085	5	1	EKBF	
CCCCCC[N+](C)(C)CCCCCCCCCCC(=O)OC	653736090	LXUWYABFRVXJEK-UHFFFAOYSA-N	328.561	5.327	5	1	EKBF	
Cc1c(-c2cc(C(F)(F)F)ccc2F)[nH]c2cccc([N+](=O)[O-])c12	587646120	KHWYICBJKWPHLR-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
O=[N+]([O-])c1ccc2nc(-c3cccc4cc5ccccc5cc34)[nH]c2c1	82154068	UBUYXXXMHANRPY-UHFFFAOYSA-N	339.354	5.445	5	1	EKBF	
Cn1c2c3cc(Br)ccc3nc-2cc2ccc(Cl)cc21	137306859	RZQUEWSVVYPRCH-UHFFFAOYSA-N	345.627	5.247	5	1	EKBF	
C[N@@+]12C=CC=C1[C@@H](N1CCCC1)c1scc(-c3ccc(F)cc3)c12	254201711	VIRHJRNIDOVRJJ-WZONZLPQSA-N	339.459	5.053	5	1	EKBF	
Cc1ccc(SCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C)c1	586962851	BHPZEDGUVXDAQD-UHFFFAOYSA-N	347.827	5.034	5	1	EKBF	
NCCCCCCCCNCc1c2ccccc2cc2ccccc12	13529671	XWIIBDABNKYWOQ-UHFFFAOYSA-N	334.507	5.382	5	1	EKBF	
CCCN1CCC(COc2nc3ccc(C)cc3c3ccccc23)CC1	95572782	HBVNFFWOVCJCBB-UHFFFAOYSA-N	348.490	5.197	5	1	EKBF	
O=[N+]([O-])c1cccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12	587048176	GCRBRZZJKSUCBE-RKDXNWHRSA-N	348.189	5.049	5	1	EKBF	
Cn1c2nc3ccccc3c-2c(Cl)c2cc(C(F)(F)F)ccc21	103172639	PGCZUXYCQJNYOW-UHFFFAOYSA-N	334.728	5.504	5	1	EKBF	
Oc1ccc(Nc2nc3ccccc3c3[nH]c4ccccc4c23)cc1	45356294	NDYNATNHAFEYHP-UHFFFAOYSA-N	325.371	5.319	5	1	EKBF	
CC[C@H](C)c1ccc2[nH]c(C)c(-c3c([N+](=O)[O-])ccc(O)c3F)c2c1	587640938	HBJWFWRPNMOKTD-JTQLQIEISA-N	342.370	5.410	5	1	EKBF	
Cc1sc(-c2ccccc2)c(C(=O)c2ccc([N+](=O)[O-])cc2)c1C	1772637285	KVUWBPASOHDJQB-UHFFFAOYSA-N	337.400	5.171	5	1	EKBF	
Cc1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1	587271732	HOTJPXQGIWYRBU-UHFFFAOYSA-N	345.358	5.239	5	1	EKBF	
Clc1ccc(-c2csc3nc4cccc5cccc(c54)n23)cc1	2182821	QRFUTURFHZKKPS-UHFFFAOYSA-N	334.831	6.023	5	3	EKBF	aggregator
Oc1cccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)c1	473146966	DXENBSIRCJWXLI-UHFFFAOYSA-N	325.371	5.319	5	1	EKBF	
Cc1ccc(C2(C(=O)c3coc4cc([N+](=O)[O-])ccc34)CCCC2)cc1	587279978	XKUTYEVWSDHNKJ-UHFFFAOYSA-N	349.386	5.344	5	1	EKBF	
CC(C)(C)c1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1	13608153	SIJKOYCKYCHEPU-UHFFFAOYSA-N	328.411	5.911	5	1	EKBF	
CC[C@H](C)c1ccc2[nH]c(C)c(-c3c([N+](=O)[O-])ccc(F)c3F)c2c1	587641959	KZLLUDJBCJAJNK-JTQLQIEISA-N	344.361	5.843	5	1	EKBF	
O=[N+]([O-])c1cccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12	587048174	GCRBRZZJKSUCBE-DTWKUNHWSA-N	348.189	5.049	5	1	EKBF	
CC(C)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12	587646594	WSVIKIOERTUVOE-UHFFFAOYSA-N	348.324	5.885	5	1	EKBF	
C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c3ccccc3c3ccccc3c2[nH]1	587963340	NEKJVMPGTIYZQY-UONOGXRCSA-N	328.415	5.027	5	1	EKBF	
Clc1c2ccccc2cc2c(-c3ccccc3)c3ccccc3nc12	1772592990	UZSNXBLXQRFSKP-UHFFFAOYSA-N	339.825	6.862	5	1	EKBF	
CSc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1	587925928	VYMIJSLMOVGBJB-UHFFFAOYSA-N	328.418	5.107	5	1	EKBF	
C[N+]12C=CC=C1[C@H](N1CCCC1)c1scc(-c3ccc(F)cc3)c12	31871187	VIRHJRNIDOVRJJ-XNUZUHMRSA-N	339.459	5.053	5	1	EKBF	
COc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1	1772618395	AXRFBGXHWGGUEV-UHFFFAOYSA-N	335.406	6.217	5	1	EKBF	
CCCCC1CCC(C(=O)c2coc3cc([N+](=O)[O-])ccc23)CC1	587280152	LKWWFGSKCLFHEM-UHFFFAOYSA-N	329.396	5.520	5	1	EKBF	
c1ccc(OCCCCOc2cc3ccccc3c3ccccc23)cc1	43012474	ADNMNYHGIWDTAY-UHFFFAOYSA-N	342.438	6.231	5	1	EKBF	
Cc1ccc([C@H]2C[C@H](c3c4ccccc4cc4ccccc34)N=N2)cc1	169724715	ORDSRUWWRNHCAJ-DHIUTWEWSA-N	336.438	6.940	5	1	EKBF	
CCCCC1CCC(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1	586886524	CJCMORBOEOYQKM-UHFFFAOYSA-N	335.835	5.589	5	1	EKBF	
Nc1c(F)cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1F	587134546	IYRRWRIKLDUQIQ-UHFFFAOYSA-N	345.352	5.397	5	1	EKBF	
Cc1cccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12	586974958	ZCVDJODAQILSSY-UHFFFAOYSA-N	341.436	5.195	5	1	EKBF	
C[n+]1c2ccccc2c(Nc2cccc(F)c2)c2[nH]c3ccccc3c21	1772628647	XWQCTEGBCLDXBN-UHFFFAOYSA-O	342.397	5.182	5	1	EKBF	
CC(C)=CCC/C(C)=C/Cc1ccc(O)c2nc3cccc(O)c3nc12	83920694	KKTBUJKAFHLZPF-XNTDXEJSSA-N	348.446	5.429	5	1	EKBF	in-vitro
C[C@@]1(c2c3ccccc3cc3ccccc23)NCCc2ccc(O)cc21	963339700	ASNQKWUKJAILRB-XMMPIXPASA-N	339.438	5.108	5	1	EKBF	
COc1cccc2c(Sc3ccc(CO)cc3)c3ccccc3nc12	26965807	LBVPSAFRSHNMHV-UHFFFAOYSA-N	347.439	5.040	5	1	EKBF	
CCCCCc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1	587279533	KIHKPVOJHDDUNF-UHFFFAOYSA-N	337.375	5.305	5	1	EKBF	
CCc1oc2ccccc2c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586902420	ATAPZVBPGXZGHU-UHFFFAOYSA-N	341.754	5.100	5	1	EKBF	
CSc1ccc(-c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1	587924601	FGUFPWZVTBWRCA-UHFFFAOYSA-N	328.418	5.107	5	1	EKBF	
CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[N+](C)(C)[O-])CCC[C@@]21C	96269542	AAPCFZNITYDUBV-KJXAQDMKSA-N	349.603	6.700	5	1	EKBF	
c1ccc2c(c1)c1ccccc1c1[nH]c(-c3cc4c(s3)CCC4)nc21	587036936	PNCBZMLHUITHDV-UHFFFAOYSA-N	340.451	6.087	5	1	EKBF	
COc1ccc2cc(-c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)ccc2c1	299827657	QAOXZYGCIIGGAJ-UHFFFAOYSA-N	347.292	5.442	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3cccnc3)c(-c3cccc(Cl)c3)[nH]c2c1	587644743	MCZUMSGXOSBXQH-UHFFFAOYSA-N	349.777	5.459	5	1	EKBF	
COC(=O)Nc1ccc(Cc2c3ccccc3nc3ccccc23)cc1	169347089	CRFQIIKGAWBFBR-UHFFFAOYSA-N	342.398	5.157	5	1	EKBF	
Cc1ccc([C@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)cc1	71319356	PGHPUXDOJHJKLB-JOCHJYFZSA-N	336.438	5.740	5	1	EKBF	
CCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2cc([N+](=O)[O-])ccc12	587644396	AOQOPVPKIFFQSA-UHFFFAOYSA-N	349.217	6.002	5	1	EKBF	
Brc1ccc2[nH]c3c[nH]c4c5ccccc5nc-4c3c2c1	100660647	WDJCYDJVUYJYGK-UHFFFAOYSA-N	336.192	5.065	5	1	EKBF	
Cc1ccc2[nH]c3c(Nc4ccc(O)cc4)c4ccccc4nc3c2c1	473147471	FONVFBOYXJLUOC-UHFFFAOYSA-N	339.398	5.627	5	1	EKBF	
Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccn2)cc1	587649711	XSCSNRIDTBYAJC-UHFFFAOYSA-N	329.359	5.114	5	1	EKBF	
CC(C)(C)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1	587139876	RAZMDOQFIXILCQ-UHFFFAOYSA-N	347.777	5.228	5	1	EKBF	
Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccc(F)cc2)cc1	587646073	SOFHCQMVWNAJDV-UHFFFAOYSA-N	346.361	5.858	5	1	EKBF	
c1ccc(-c2ccc(-c3cnc4ccc5ccncc5c4c3)cc2)cc1	28957582	CXNCGBGJMAZVQS-UHFFFAOYSA-N	332.406	6.117	5	1	EKBF	
Cn1c2ccccc2c2nc3ccccc3c(Nc3ccc(O)cc3)c21	141476105	UCYLOLUYQMSIMN-UHFFFAOYSA-N	339.398	5.329	5	1	EKBF	
COc1ccccc1N=c1c2ccccc2[nH]c2c1[nH]c1ccccc12	473150569	MOMTYQCHQMVLNJ-UHFFFAOYSA-N	339.398	5.043	5	1	EKBF	
O=c1cc(C23CC4CC(CC(C4)C2)C3)oc2c1ccc1ccccc12	1857541523	RKDOZHKQPWZQBT-UHFFFAOYSA-N	330.427	5.414	5	1	EKBF	
Cc1c(Cl)ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587047368	IFAOWSAKJMOWEP-CLTKARDFSA-N	348.189	5.257	5	1	EKBF	
C[C@H]1C(=O)CC[C@H]1Cc1nc2c3ccccc3c3ccccc3c2[nH]1	587963338	NEKJVMPGTIYZQY-KGLIPLIRSA-N	328.415	5.027	5	1	EKBF	
C[C@H]1C(=O)CC[C@@H]1Cc1nc2c3ccccc3c3ccccc3c2[nH]1	587963343	NEKJVMPGTIYZQY-ZIAGYGMSSA-N	328.415	5.027	5	1	EKBF	
Cc1cc(=O)oc2c1ccc1c(O[C@@H](C)c3ccccc3)cccc12	49784149	XOSJXMOUZTWNDU-HNNXBMFYSA-N	330.383	5.395	5	1	EKBF	
CCCn1c2ccccc2c2cc3[nH]c4ccccc4c3c(CO)c21	1911572580	RQUVUOOMNHSEBC-UHFFFAOYSA-N	328.415	5.331	5	1	EKBF	
Cn1cc2c3cc(Br)ccc3nc-2c2cccc(Cl)c21	299859081	HKWBCWRYHXYSQU-UHFFFAOYSA-N	345.627	5.247	5	1	EKBF	
c1ccc2c(-c3cc4c5c(cccc5n3)CC4)c3ccccc3cc2c1	587214644	VSDMSVQWINAUDA-UHFFFAOYSA-N	331.418	6.307	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3cccc(Cl)c3)c(-c3cccnc3)c12	587644400	ATZXVHVFOSXEQN-UHFFFAOYSA-N	349.777	5.459	5	1	EKBF	
C[C@@H](NCc1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc2ccccc12	653770020	VFNKRNJLVCWDAT-CQSZACIVSA-N	345.402	5.080	5	1	EKBF	
Cc1cc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2cc1[N+](=O)[O-]	587027637	YHNCCFFKYKERRY-UHFFFAOYSA-N	335.388	5.175	5	1	EKBF	
Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2cc(Cl)c(F)cc12	587631619	QUDBGFPUFGYLMU-UHFFFAOYSA-N	343.745	5.325	5	1	EKBF	
CC(C)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587646094	JLGPMXKRZNGTDE-UHFFFAOYSA-N	348.324	5.885	5	1	EKBF	
Cc1c(C)n(Cc2ccc(C(F)(F)F)cc2)c2ccc([N+](=O)[O-])cc12	254919	XSSAKGPURUYCKL-UHFFFAOYSA-N	348.324	5.233	5	1	EKBF	
O=C1Cc2c(c3c4ccccc4sc3c3[nH]c4ccccc4c23)N1	13606271	CRKPOEOGGXYTSQ-UHFFFAOYSA-N	328.396	5.184	5	1	EKBF	
CC(C)c1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(O)c(C(C)C)c1	586897027	VQOIGDWPRDLQAN-UHFFFAOYSA-N	339.395	5.091	5	1	EKBF	
CCn1cc2c(NCCN3CCCC3)ccc3oc4ccccc4c1c32	40812291	AFHYGUURJMPYBZ-UHFFFAOYSA-N	347.462	5.068	5	1	EKBF	
O=[N+]([O-])c1ccc(-c2c(-c3ccccc3)ncc3cc(F)ccc23)cc1	36388762	MMUZIYUYLFUFQO-UHFFFAOYSA-N	344.345	5.616	5	3	EKBF	
Cn1c2c3ccccc3nc-2c(Cl)c2cc(Br)ccc21	377829966	SBEDVXPXNURSAF-UHFFFAOYSA-N	345.627	5.247	5	1	EKBF	
CC[C@H](C)c1ccc2[nH]c(C)c(-c3ccc(Cl)cc3[N+](=O)[O-])c2c1	587642694	URRINVPZUSBOAC-NSHDSACASA-N	342.826	6.218	5	1	EKBF	
O=C(NC1CCCCC1)OCc1c2ccccc2cc2ccccc12	59895208	RIFRACLDEFJZOX-UHFFFAOYSA-N	333.431	5.552	5	1	EKBF	
Cc1c2ccn(C)cc2c(C)c2c1nc1ccc(Br)cc12	377816021	NOQJEBRVMYWJBG-UHFFFAOYSA-N	339.236	5.259	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccccc3)c12	587644982	SSTNJOGMIUMEBM-UHFFFAOYSA-N	348.789	6.064	5	1	EKBF	
CC/C(=C/c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(C)cc1	587966531	ITXIFRWDYLJEIG-WQLSENKSSA-N	341.798	5.384	5	1	EKBF	
O=c1cc(-c2cc(Cl)cc(Cl)c2)oc2c1ccc1ccccc12	1857596156	MUXNCWKFJVXJGD-UHFFFAOYSA-N	341.193	5.920	5	1	EKBF	
CO[C@H]1[N+]([O-])=C(/C=C/c2cc3ccccc3c3ccccc23)CC1(C)C	103079884	BYPOMHXMDBPSNA-CHHLAKQQSA-N	345.442	5.360	5	1	EKBF	
c1ccc(CCNCc2ccc3ccc4cccc5ccc2c3c45)cc1	26404973	SBCKFGLVKTWQCJ-UHFFFAOYSA-N	335.450	5.916	5	1	EKBF	
CCN(CC)CCn1c2ccccc2c2c(C)c3cnccc3c(C)c21	28760893	ASUCKNVVHGHXAC-UHFFFAOYSA-N	345.490	5.301	5	1	EKBF	
CCCN1CCC(COc2nc3c(C)cccc3c3ccccc23)CC1	95575809	MPUYRUOBAAPNAJ-UHFFFAOYSA-N	348.490	5.197	5	1	EKBF	
CC[n+]1c(-c2ccccc2)c2ccccc2c2ccc(C(C)C)cc21	27523309	WOSGFJOWHQEJQB-UHFFFAOYSA-N	326.463	6.091	5	1	EKBF	
CCCCN(CCCC)C[C@H](O)c1cccc2cc3ccccc3cc12	169336980	AYUWFSQCVWKGFC-DEOSSOPVSA-N	349.518	5.929	5	1	EKBF	
c1ccc2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cccc2c1	98084290	KGTRNZSRUAPMIH-UHFFFAOYSA-N	346.393	5.480	5	1	EKBF	
CC(/C=C\C=C(/C)c1ccc2cc3ccccc3cc2c1)=C\C(=O)O	169345317	XKOYCXDIIVBPJJ-NHTYRRRBSA-N	328.411	5.983	5	1	EKBF	
C=Cc1c(C)c(OC(C)=O)cc2ccc3c(C)c(OC(C)=O)ccc3c12	238767674	GLNVPROGSYAGHZ-UHFFFAOYSA-N	348.398	5.103	5	1	EKBF	
CCCCCCc1c(-c2ccc(N)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587647684	MGCOPSVSKAPNND-UHFFFAOYSA-N	337.423	5.448	5	1	EKBF	
O=C(c1coc2cc([N+](=O)[O-])ccc12)C1(c2ccccc2)CCCC1	587279015	DIDBAHFIMXLLDX-UHFFFAOYSA-N	335.359	5.036	5	1	EKBF	
O[C@H](C[C@H]1CCCCN1)c1cc2cc(Cl)ccc2c2ccccc12	169339618	OSJWDIGYSPEGBG-IIBYNOLFSA-N	339.866	5.212	5	1	EKBF	
CCCCN(CCCC)C[C@@H](O)c1c2ccccc2cc2ccccc12	169336994	BSSDLIZSHZKPNR-HSZRJFAPSA-N	349.518	5.929	5	1	EKBF	
c1ccc2c(c1)ccc1cc(-c3cc4c5c(cccc5n3)CC4)ccc12	587214285	REMFWCYXBQHERL-UHFFFAOYSA-N	331.418	6.307	5	1	EKBF	
O=C1NCc2c1c1c3ccccc3sc1c1sc3ccccc3c21	14954825	CZIPPPSRRVAZPS-UHFFFAOYSA-N	345.448	5.666	5	1	EKBF	
COc1cccc(Nc2c3ccccc3nc3c2[nH]c2ccccc23)c1	473152436	UAFSUAJEPJXCMY-UHFFFAOYSA-N	339.398	5.622	5	1	EKBF	
Cc1cccc(-c2ccccc2)c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1	586878212	DZTCSMWAFYAGSV-UHFFFAOYSA-N	329.359	5.114	5	1	EKBF	
Oc1ccc([C@H]2C[C@@H](c3c4ccccc4cc4ccccc34)N=N2)cc1	169724705	GAZUTEYOOWJEAA-YADHBBJMSA-N	338.410	6.337	5	1	EKBF	
Cc1c(-c2ccc(C(F)(F)F)c(F)c2)[nH]c2cccc([N+](=O)[O-])c12	587646452	TZCOGUHACHHZTQ-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
CC[C@@H](C)c1ccc2[nH]c(C)c(-c3c([N+](=O)[O-])ccc(O)c3F)c2c1	587640939	HBJWFWRPNMOKTD-SNVBAGLBSA-N	342.370	5.410	5	1	EKBF	
O=c1cc(-c2cccc(Cl)c2Cl)oc2c1ccc1ccccc12	1772586509	WDNHSGHWXOFHOH-UHFFFAOYSA-N	341.193	5.920	5	1	EKBF	
O=[N+]([O-])c1ccc2c(-c3ccc(Cl)cc3)c(-c3ccccn3)[nH]c2c1	587644440	CUGZNSGAGQJYHO-UHFFFAOYSA-N	349.777	5.459	5	1	EKBF	
O=[N+]([O-])c1ccc(/C=C/c2nc3c4ccoc4c4ccccc4c3[nH]2)o1	45350878	ILVFWBFHSXUZIQ-FNORWQNLSA-N	345.314	5.134	5	1	EKBF	
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OCC[N+]1(Cc3ccccc3)CCCC1)C2	169315574	CJLCUKUYGPWFII-GIWBLDEGSA-N	342.547	5.029	5	1	EKBF	
O=c1oc2ccc3ccccc3c2cc1-c1cc2c3c(cccc3n1)CC2	587216576	FZTVEIUTDJMSEL-UHFFFAOYSA-N	349.389	5.260	5	1	EKBF	
Cc1c(Cl)ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587047469	IFAOWSAKJMOWEP-XVNBXDOJSA-N	348.189	5.257	5	1	EKBF	
Clc1ccccc1-c1nc2c3ccccc3c3ccccc3c2s1	29135738	VVUCVIOCLRUJRJ-UHFFFAOYSA-N	345.854	6.923	5	1	EKBF	
Cc1c(F)cccc1-c1cc(-c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1	587137081	RWCDDKZPRMZMDR-UHFFFAOYSA-N	347.349	5.253	5	1	EKBF	
CCn1c2ccccc2c2c3c(cc(C)cc31)c1ccccc1[n+]2CC	1620415	WZAZXXIZSCPSLU-UHFFFAOYSA-N	339.462	5.737	5	1	EKBF	
Oc1cccc(Nc2nc3ccccc3c3[nH]c4ccccc4c23)c1	45356298	AAOVJJBGOAWYIT-UHFFFAOYSA-N	325.371	5.319	5	1	EKBF	
O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cccc(F)c4[nH]3)c2)cc1	587273453	UPBSUMXAFGLBTG-UHFFFAOYSA-N	349.321	5.070	5	1	EKBF	
Fc1ccc(Cn2c3c4ccccc4nc-3cc3ccccc32)cc1	138635569	WWKKAZGFEOLQGZ-UHFFFAOYSA-N	326.374	5.482	5	1	EKBF	
CC[C@@H](C)c1ccc2[nH]c(-c3c[nH]c4ccc([N+](=O)[O-])cc34)c(C)c2c1	587643716	WZNUDGUJXVQSBW-GFCCVEGCSA-N	347.418	6.046	5	1	EKBF	
CC(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1ccc(Cl)cc1	587644649	JRFQAYRNSSKDHU-UHFFFAOYSA-N	328.799	5.444	5	1	EKBF	
Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2ccc(F)c(Cl)c12	587631836	WULVXPJIHQFWEZ-UHFFFAOYSA-N	343.745	5.325	5	1	EKBF	
CC[C@H](C)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(C(C)=O)c2c1	587641546	HAJVEJMTXTXUPW-LBPRGKRZSA-N	336.391	5.459	5	1	EKBF	
C[N@+]12C=CC=C1[C@@H](N1CCCC1)c1scc(-c3ccc(F)cc3)c12	254201709	VIRHJRNIDOVRJJ-JPYJTQIMSA-N	339.459	5.053	5	1	EKBF	
Cc1c(Cc2ccc(Cl)cc2Cl)[nH]c2cccc([N+](=O)[O-])c12	587645084	UUJVPPNKSSSEGZ-UHFFFAOYSA-N	335.190	5.282	5	1	EKBF	
Cc1c(-c2ccc(F)c(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12	587646581	VZRFHCWOTNSRCP-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
Nc1ccc(/C=C\c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1	587251518	HSHPSXLPRZCSQH-KAMYIIQDSA-N	335.410	5.622	5	1	EKBF	
O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3-n3c2cc2ccccc23)cc1	71341920	AUKKXBAZILOWRR-OAQYLSRUSA-N	341.370	5.054	5	1	EKBF	
Cc1ccc2ccccc2c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586882891	CLGNCIPXBJTYFK-UHFFFAOYSA-N	337.766	5.253	5	1	EKBF	
CC(C)(C)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12	587645098	VHWCNFGSEGEQIZ-UHFFFAOYSA-N	328.799	5.694	5	1	EKBF	
Fc1cccc(Cl)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1	29135901	WVNNQKBSDUJVPA-UHFFFAOYSA-N	346.792	6.329	5	1	EKBF	
O=[N+]([O-])c1ccc(CNc2ccc(-c3nc4ccccc4o3)cc2)cc1	1857539088	ZGZVXBDBBVOAMQ-UHFFFAOYSA-N	345.358	5.015	5	1	EKBF	
CO[C@@H]1[N+]([O-])=C(/C=C/c2c3ccccc3cc3ccccc23)CC1(C)C	95585810	FRKFWDRTRGCGSW-GNNUASRNSA-N	345.442	5.360	5	1	EKBF	
Cc1c2ccn(C)cc2c(C)c2c1nc1ccc(OC(C)(C)C)cc12	377431452	QIKOMTLJNAASLJ-UHFFFAOYSA-N	332.447	5.674	5	1	EKBF	
Clc1ccc2c(-c3ccccc3)c3cc4ccccc4cc3nc2c1	1772610889	HWRVMIQXZHWSPA-UHFFFAOYSA-N	339.825	6.862	5	1	EKBF	
COc1ccc2nc3ccccc3c(Oc3ccc(C(C)=O)cc3)c2c1	27524741	WWJIVHCDHQPBPM-UHFFFAOYSA-N	343.382	5.392	5	1	EKBF	
Oc1ccc(Nc2c3ccccc3nc3c2oc2ccccc23)cc1	473151819	RGQGPMDCVFIINP-UHFFFAOYSA-N	326.355	5.583	5	1	EKBF	
CCN(CC)CCn1ccc2c(C)c3nc4ccccc4c3c(C)c2c1	377435792	YTUYANZCGUYXHF-UHFFFAOYSA-N	345.490	5.301	5	1	EKBF	
CC[C@H](C)[C@@H](CO)NCc1ccc2ccc3cccc4ccc1c2c34	26401156	FRMZPENXVNPIIZ-YCRPNKLZSA-N	331.459	5.081	5	1	EKBF	
Cc1ccccc1-c1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1	587959931	SPLMBBVDIXBHBZ-UHFFFAOYSA-N	343.386	5.037	5	1	EKBF	
c1ccc(Oc2ccc3[nH]c4c(ncc5[nH]c6ccccc6c54)c3c2)cc1	40431351	HJMVQUYBHUYUIE-UHFFFAOYSA-N	349.393	6.143	5	1	EKBF	
CCCCN(CCC)C[C@@H](O)c1ccc2cc3ccccc3cc2c1	169336982	YNCQXCNYYMVDEJ-HSZRJFAPSA-N	335.491	5.539	5	1	EKBF	
CCCC1(CCC)CCC2(CC1)CC[N@@+](C)(CCC[N+](C)(C)C)C2	299804995	DVTHMUBJYGMWTJ-XMMPIXPASA-N	338.624	5.080	5	1	EKBF	
CC[C@@H](C)[C@H](CO)NCc1ccc2ccc3cccc4ccc1c2c34	26401161	FRMZPENXVNPIIZ-VFNWGFHPSA-N	331.459	5.081	5	1	EKBF	
CN(c1ccc([N+](=O)[O-])cc1)c1cc2c(c3c1ccn3C)[C@@H]1CC[C@H]2C1	72136762	HXIUEXRFXKVREO-UONOGXRCSA-N	347.418	5.219	5	1	EKBF	
c1cnc2c(c1)c1nc(CC3CCCCCC3)[nH]c1c1cccnc12	587959910	BTQCSLDXHHDKKQ-UHFFFAOYSA-N	330.435	5.172	5	1	EKBF	
Cc1c(F)cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1F	587133408	VRWVROWJFDJXBC-UHFFFAOYSA-N	344.364	6.123	5	1	EKBF	
CCCN1CCC(COc2nc3ccccc3c3cc(C)ccc23)CC1	95580274	QOGJUSHYJWOCNQ-UHFFFAOYSA-N	348.490	5.197	5	1	EKBF	
O=[N+]([O-])c1cccc(-c2[nH]c3cc(F)ccc3c2-c2ccccc2)c1	587635224	FOGUQELLEXHRTE-UHFFFAOYSA-N	332.334	5.549	5	1	EKBF	
Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(OC(C)(C)C)cc12	1625363	QIKOMTLJNAASLJ-UHFFFAOYSA-O	333.455	5.093	5	1	EKBF	
O=C(c1ccccc1-c1cccs1)c1coc2cc([N+](=O)[O-])ccc12	587280536	ZDEMDNUIVKTDPW-UHFFFAOYSA-N	349.367	5.301	5	1	EKBF	
CCCCCCc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1	45323161	VDVGAJYWLUSCDX-UHFFFAOYSA-N	344.386	5.109	5	1	EKBF	
CCCCCC(=O)c1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	103043316	ODUODQVUFMPIQR-GRGXKFILSA-N	344.563	5.962	5	1	EKBF	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[N+]1(Cc3ccccc3)CCCC1)C2	101960843	CJLCUKUYGPWFII-XJUOHMSHSA-N	342.547	5.029	5	1	EKBF	
O=[N+]([O-])c1ccc(-c2c(Nc3ccccc3)ccc3ccccc23)cc1	1857582143	ZPFZVHGSYJYYNF-UHFFFAOYSA-N	340.382	6.159	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3)c(-c3ccc(Cl)cc3)c12	587644403	BADFMQNRFGKGLG-UHFFFAOYSA-N	348.789	6.064	5	1	EKBF	
CCCn1c2ccccc2c2c(C=O)c3c(cc21)c1ccccc1n3C	1911576684	ZOIFMDICJCASQJ-UHFFFAOYSA-N	340.426	5.662	5	1	EKBF	
CC(C)CCOC(=O)[C@@H](C)c1ccc2c(=O)c3ccccc3ccc2c1	39220565	UZKLADGERRENMY-INIZCTEOSA-N	348.442	5.046	5	1	EKBF	
O=c1cc(-c2ccccc2C(F)(F)F)oc2c1ccc1ccccc12	1772643431	VHOWGNDNFYIDFU-UHFFFAOYSA-N	340.300	5.632	5	1	EKBF	
CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3cccc(-c4ccccc4)c3)[C@@H]1C2	95563862	DBEJESXYRLRWKW-ZEQRLZLVSA-N	346.538	5.922	5	1	EKBF	
CCN(CC)CCNCc1ccc2ccc3cccc4ccc1c2c34	26468317	XXEJBDBDDIMJGH-UHFFFAOYSA-N	330.475	5.015	5	1	EKBF	
Cc1[nH]c2cc(F)ccc2c1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	587633896	NKKHOILXIMKMAS-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
COc1cccc2c(Oc3ccc(C(C)=O)cc3)c3ccccc3nc12	27526164	JFVYQHYBFKPLKQ-UHFFFAOYSA-N	343.382	5.392	5	1	EKBF	
C[N+]1(C)CCC[C@@H]1c1ccc([C@H](c2ccccc2)C2CCCCC2)o1	45258048	OGTLDFSTCJABJV-NFBKMPQASA-N	338.515	5.903	5	1	EKBF	
O=c1cc(Nc2cccc3ccccc23)c2ccc3ccccc3c2o1	53243130	WYPGWTJISRCVRT-UHFFFAOYSA-N	337.378	5.843	5	1	EKBF	
Cc1cc(Nc2cccc3ccccc23)c2ccc3ccccc3c2n1	5587590	WSBIWUJQNJYAPR-UHFFFAOYSA-N	334.422	6.593	5	1	EKBF	
Oc1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)cc1	71296931	BSKHVSOGNDEIEA-NRFANRHFSA-N	338.410	5.137	5	1	EKBF	
Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2c(C)cc(Cl)cc12	587626613	GMJXYCLKKODYHK-UHFFFAOYSA-N	339.782	5.495	5	1	EKBF	
Cc1c(-c2ccc(/C=C/c3nc4ccccc4[nH]3)o2)cccc1[N+](=O)[O-]	28861747	ZPKFBUKMWBJKMQ-ZRDIBKRKSA-N	345.358	5.210	5	1	EKBF	
O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@H]1c1cccc2ccccc12	1642543	YMXKIRWWZRAINA-IBGZPJMESA-N	337.762	5.245	5	1	EKBF	
CCCCN(CCCC)C[C@@H](O)c1cc2ccccc2c2ccccc12	100690715	SODSTPLOUZHIFD-XMMPIXPASA-N	349.518	5.929	5	1	EKBF	
Cc1ccc(N=c2c3ccccc3n(C)c3c2oc2ccccc23)cc1	1772594362	XRIMWNMNEQVGIT-UHFFFAOYSA-N	338.410	5.619	5	1	EKBF	
C[C@]1(c2c3ccccc3cc3ccccc23)NCCc2ccc(O)cc21	963339698	ASNQKWUKJAILRB-DEOSSOPVSA-N	339.438	5.108	5	1	EKBF	
CCCCN(CCCC)Cc1cc(=O)oc2ccc3ccccc3c12	72104376	QUVSELFSZOUBAQ-UHFFFAOYSA-N	337.463	5.348	5	3	EKBF	
C[n+]1c2ccc(F)cc2c(-c2ccccc2)c2[nH]c3ccccc3c21	13555523	KOWQUONPBVUCPG-UHFFFAOYSA-O	327.382	5.105	5	1	EKBF	
Nc1ccc(F)c(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c1	587141999	IDKWNOIGFGHBAK-UHFFFAOYSA-N	341.389	5.181	5	1	EKBF	
C[N+]1(C)[C@H]2CC[C@H]1CC(OC1c3ccccc3C=Cc3ccccc31)C2	101040420	RQORBEVMVRZOCV-PMACEKPBSA-N	346.494	5.046	5	1	EKBF	
Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccn2)cc1	587648307	BXEFQKVBJRYXET-UHFFFAOYSA-N	329.359	5.114	5	1	EKBF	
CC[C@H](C)[C@H](CO)NCc1ccc2ccc3cccc4ccc1c2c34	26401166	FRMZPENXVNPIIZ-BTYIYWSLSA-N	331.459	5.081	5	1	EKBF	
C[N+]1(C)[C@H]2CCC[C@@H]1C[C@@H](C=C(c1cccs1)c1cccs1)C2	103236618	ADNOANKZUDEUJT-OSYLJGHBSA-N	344.569	5.649	5	1	EKBF	
Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2cc(Cl)c(F)cc12	587628990	XKBHJCXRGWIZIH-UHFFFAOYSA-N	339.153	5.497	5	1	EKBF	
O=[N+]([O-])c1ccc2c(C(F)(F)F)c(-c3ccc(Cl)cc3)[nH]c2c1	587645691	BCLWNQHOLHTFGS-UHFFFAOYSA-N	340.688	5.415	5	1	EKBF	
COc1ccc(Nc2nc3ccccc3c3[nH]c4ccccc4c23)cc1	45387181	AIWCZTXVWNWRFX-UHFFFAOYSA-N	339.398	5.622	5	1	EKBF	
CC(C)c1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(O)c(C(C)C)c1	586896846	RHNUDDGFIDMGFN-UHFFFAOYSA-N	339.395	5.091	5	1	EKBF	
C/C(=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1)C1CCCCC1	587968160	PKYLFMDWKNFBDF-SDNWHVSQSA-N	342.446	5.643	5	1	EKBF	
CCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12	587644632	IYBSOWDKQLPSDG-UHFFFAOYSA-N	349.217	6.002	5	1	EKBF	
CCCCN(CCCC)C[C@@H](O)c1cccc2ccc3ccccc3c12	169337266	CPBLLRGKDSUKBH-HSZRJFAPSA-N	349.518	5.929	5	1	EKBF	
Oc1ccc2ccc3[nH]c4c(-c5ccc(Cl)cc5)cccc4c3c2c1	14945704	RCMJBRZIHXIZRA-UHFFFAOYSA-N	343.813	6.500	5	1	EKBF	
CC1(C)[C@@H]2C[C@@H]1CC=C2[C@@H](O)c1c2ccccc2cc2ccccc12	2356328884	KYUCWHDCRBVCDT-AMHTUMDSSA-N	328.455	6.019	5	1	EKBF	
CCCCNCC[C@H](O)c1c2ccccc2c(Cl)c2ccccc12	59796708	YBEAFEROPKNPDK-IBGZPJMESA-N	341.882	5.460	5	1	EKBF	
C[N+]1(C)CCC[C@@H]1c1ccc(C(c2ccccc2)c2ccccc2)o1	45317436	QGJWMGIPVUWDAK-HXUWFJFHSA-N	332.467	5.371	5	1	EKBF	
CC[C@@H](C)[C@@H](CO)NCc1ccc2ccc3cccc4ccc1c2c34	26401151	FRMZPENXVNPIIZ-QVKFZJNVSA-N	331.459	5.081	5	1	EKBF	
COc1ccc(Nc2c3ccccc3nc3oc4ccccc4c23)cc1	45288433	XYZUPXKUQYALDS-UHFFFAOYSA-N	340.382	5.886	5	1	EKBF	
Oc1ccc([C@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)cc1	71296932	BSKHVSOGNDEIEA-OAQYLSRUSA-N	338.410	5.137	5	1	EKBF	
O=[N+]([O-])c1cccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12	587048175	GCRBRZZJKSUCBE-IUCAKERBSA-N	348.189	5.049	5	1	EKBF	
Cc1ccc(Nc2c3ccccc3[n+](C)c3c2[nH]c2ccccc23)cc1	1772582650	DJZVOHAAUNUBPN-UHFFFAOYSA-O	338.434	5.351	5	1	EKBF	
C[N@@+]12C=CC=C1[C@H](N1CCCC1)c1scc(-c3ccc(F)cc3)c12	254201708	VIRHJRNIDOVRJJ-FDDCHVKYSA-N	339.459	5.053	5	1	EKBF	
c1ccc2cc3c(NCCCNC4CCCCC4)ccnc3cc2c1	5905912	PCCBXIWDTHCDCZ-UHFFFAOYSA-N	333.479	5.112	5	1	EKBF	
O=[N+]([O-])c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1	587049561	MWZKMIQBMXKYKM-UWVGGRQHSA-N	348.189	5.049	5	1	EKBF	
Oc1cnc2oc3c4ccccc4c(O)cc3c2c1-c1ccccc1	95552170	ULWKEYMEZWWCRY-UHFFFAOYSA-N	327.339	5.212	5	1	EKBF	
Cc1cc(Cl)cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587048021	PAWHYZISBMFARR-HWKANZROSA-N	348.189	5.257	5	1	EKBF	
O=[N+]([O-])c1cc(/C=C/c2nc3cc4ccccc4cc3[nH]2)ccc1Cl	587047109	BPRVPEYKYUHKGP-SOFGYWHQSA-N	349.777	5.448	5	1	EKBF	
CCC1(CC)OC(=S)Nc2ccc(-c3cccc([N+](=O)[O-])c3)cc21	13488878	COIUOECSBDDSNQ-UHFFFAOYSA-N	342.420	5.004	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)cc3)c(-c3ccccn3)c12	587644693	KMJQSCIAWOGMGK-UHFFFAOYSA-N	349.777	5.459	5	1	EKBF	
Cc1c(Cc2ccc(Cl)cc2Cl)[nH]c2cc([N+](=O)[O-])ccc12	587644750	MLHHBUAOKWKYAF-UHFFFAOYSA-N	335.190	5.282	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3F)c(C(F)(F)F)c12	587645485	WPHZNJNFMNCEQG-UHFFFAOYSA-N	342.223	5.040	5	1	EKBF	
O=c1c2cc3ccccc3cc2[nH]c(=S)n1CCC1=CCCCC1	425066	LOUBVTOXKVGHMG-UHFFFAOYSA-N	336.460	5.103	5	1	EKBF	
C[N+](C)(C)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	103231113	MAFXIVPADYETKD-UHFFFAOYSA-O	345.875	5.004	5	1	EKBF	
CCc1nc2c3ccccc3oc2c2c1c(=O)oc1cc(C)ccc12	28459410	ZMSUMCQEPGZLHE-UHFFFAOYSA-N	329.355	5.111	5	1	EKBF	
Cc1ccccc1-c1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1	13805272	BMEOUAVDMLIXQF-UHFFFAOYSA-N	341.370	5.180	5	1	EKBF	
CCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12	587645968	HFWZJUYPRKRQFR-UHFFFAOYSA-N	348.324	5.714	5	1	EKBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1cc(F)cc(Cl)c1	1857630949	NQZUTNYOJZPTQU-UHFFFAOYSA-N	334.656	5.150	5	1	EKBF	
c1cc2cc3ccc(N4CCCCC4)cc3nc2cc1N1CCCCC1	28392127	PMMUUHKRIUNHLH-UHFFFAOYSA-N	345.490	5.369	5	1	EKBF	
CC(=O)c1sc(Nc2ccc3cc4ccccc4cc3c2)nc1C	299870546	WJJLWCJQTNHVMW-UHFFFAOYSA-N	332.428	5.704	5	1	EKBF	
CC(C)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cccc(Cl)c1	587644700	KXGIWBILHSQFNA-UHFFFAOYSA-N	328.799	5.595	5	1	EKBF	
CC[C@@H](C)c1ccc2[nH]c(C)c(-c3ccc(OC)cc3[N+](=O)[O-])c2c1	587640913	CPYFPLXJQNAPJU-GFCCVEGCSA-N	338.407	5.574	5	1	EKBF	
CCCCc1c2cnccc2c(CCCC)c2c1[nH]c1ccccc12	13213416	MSSSNMNLQFQICO-UHFFFAOYSA-N	330.475	6.555	5	1	EKBF	
Cc1c2ccncc2c(C)c2c1[nH]c1ccc(OCC(F)(F)F)cc12	13221009	BQPOSOCOOSZGEN-UHFFFAOYSA-N	344.336	5.427	5	1	EKBF	
O=[N+]([O-])c1ccc(COc2c3ccccc3cc3sccc23)cc1	35080128	YPYOELUQAADRMB-UHFFFAOYSA-N	335.384	5.542	5	1	EKBF	
CCc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12	587643216	BXMDLXLANOQZBW-UHFFFAOYSA-N	345.196	5.068	5	1	EKBF	
CC(C)c1c(Cc2cccc(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12	587644708	LATOGVSDKQJRRW-UHFFFAOYSA-N	328.799	5.444	5	1	EKBF	
COc1cccc2c(-c3ccccc3)c3cc4ccccc4cc3nc12	1772581219	PWUBHFANPZLAAX-UHFFFAOYSA-N	335.406	6.217	5	1	EKBF	
C[C@@H](NCc1cc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc2ccccc12	200331271	JHGFQITYJOLVST-CQSZACIVSA-N	345.402	5.080	5	1	EKBF	
COc1ccc(Cl)cc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C(C)C	587644597	GXQMIURMVZWJQJ-UHFFFAOYSA-N	344.798	5.529	5	1	EKBF	
O=[N+]([O-])c1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1F	587026838	YMKCCIUWWMXDKZ-UHFFFAOYSA-N	339.351	5.006	5	1	EKBF	
O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)c(-c3ccccc3Cl)c12	587645012	HKUXHDBJUMCCBP-UHFFFAOYSA-N	340.688	5.415	5	1	EKBF	
O=c1cc(-c2ccccc2C(F)(F)F)oc2ccc3ccccc3c12	1857773623	BUHZJFPDXIVDIY-UHFFFAOYSA-N	340.300	5.632	5	1	EKBF	
Cc1c(-c2ccc(-c3ccccc3F)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587645781	JZGVZILJNNGAQW-UHFFFAOYSA-N	346.361	5.858	5	1	EKBF	
CC(C)c1c2[nH]c3ccccc3c2c(C(C)C)c2[nH]c3ccccc3c12	1627667	WAXSYYFKSHNHBE-UHFFFAOYSA-N	340.470	7.202	5	1	EKBF	
O=c1cc(-c2ccc(N3CCCC3)cc2)oc2c1ccc1ccccc12	102949732	MIRDRGGSQURGEJ-UHFFFAOYSA-N	341.410	5.213	5	1	EKBF	
CCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587646351	PPJOYNMIHMRQBS-UHFFFAOYSA-N	348.324	5.714	5	1	EKBF	
CC[N+](CC)(CC)[C@H](C)COc1ccc(/C=C/c2ccccc2)cc1	64539681	GRLLGPYGXVUYEC-FBRRREGBSA-N	338.515	5.501	5	1	EKBF	
O=c1cc(-c2cccc(C(F)(F)F)c2)oc2c1ccc1ccccc12	1772571046	WUYAXFIMCSEVKJ-UHFFFAOYSA-N	340.300	5.632	5	1	EKBF	
Cc1c(-c2cccc(C(F)(F)F)c2F)[nH]c2cccc([N+](=O)[O-])c12	587646326	OACXWDXPMFZBDR-UHFFFAOYSA-N	338.260	5.209	5	1	EKBF	
C/C(=C/c1nc2c3ccccc3c3ccccc3c2[nH]1)C1CCCCC1	587969200	WQYJIPXUQNKXNC-NXVVXOECSA-N	340.470	6.853	5	1	EKBF	
CC1(C)[C@H]2CC=C(C[N+](C)(C)Cc3ccc(Cl)c(Cl)c3)[C@@H]1C2	95564108	UVSPITURGCPZSF-HOTGVXAUSA-N	339.330	5.562	5	1	EKBF	
Cc1cc(C)c(Nc2ccccc2-c2ccccc2[N+](=O)[O-])c(C)c1	1857616443	UZMUDQFNZPSMQU-UHFFFAOYSA-N	332.403	5.931	5	1	EKBF	
Brc1ccc(Cc2c3ccccc3nc3ccccc23)cc1	169326497	CIKRAVQIACWIBE-UHFFFAOYSA-N	348.243	5.741	5	1	EKBF	
[C-]#[N+]c1c(OC)c2c3ccccc3n(C)c2c2[nH]c3ccccc3c12	206394702	YIXZJILIQIHKSK-UHFFFAOYSA-N	325.371	5.525	5	3	EKBF