smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	544896479	FLESWECJLIMZKD-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)c(C)s1	47873324	QRSDYFCKZRJEBK-SECBINFHSA-N	294.351	4.585	5	20	CJBD	
O=[N+]([O-])c1ccsc1Oc1ccc(-c2ccccc2)nc1	611414146	JJIXHPNFCYNVMO-UHFFFAOYSA-N	298.323	4.511	5	20	CJBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1cccs1	774534127	HYJUMCLFLDTIBP-VIFPVBQESA-N	265.359	4.510	5	20	CJBD	
C[C@H](S[C@H](C)c1cccnc1)c1ccccc1[N+](=O)[O-]	1117497228	HYIQYSSFCHAUFC-NEPJUHHUSA-N	288.372	4.545	5	20	CJBD	
O=[N+]([O-])c1cc(CNc2ccc(Cl)cc2)ccc1Cl	149339021	LZQFILYAVICLPV-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1c(Cl)c(Cl)c([N+](=O)[O-])c(Cl)c1Cl	34581428	QLRPRUKUFBCCOG-UHFFFAOYSA-N	274.918	4.517	5	20	CJBD	
CCC[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1	34990197	WOXNGOAFHAOQES-AWEZNQCLSA-N	270.332	4.548	5	20	CJBD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1	119635823	MOWXEHWNAXNVIX-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
C[C@H](SC[C@H](C)C(F)(F)F)c1ccccc1[N+](=O)[O-]	439070159	UWKUOOUGOWAELZ-IUCAKERBSA-N	293.310	4.587	5	20	CJBD	
Cc1cccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)c1C	609671037	HANXTTYDMJBNGL-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
CC(C)c1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1	783316529	OTYVTPFKKRPUIN-AWEZNQCLSA-N	298.386	4.569	5	20	CJBD	
O=[N+]([O-])c1ccc(Cl)cc1CNc1cccc(Cl)c1	93632480	PIAKKVYZZDHKEP-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl	19998402	VAPDYPFXELHZAH-NSHDSACASA-N	290.750	4.730	5	20	CJBD	
Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])c3cnccc23)c1	69294937	XYPNPOFIHPTRHH-UHFFFAOYSA-N	294.310	4.552	5	20	CJBD	
Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1	546930720	FEJYNIOZQVNCHD-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
C[C@H](SCc1ccccc1[N+](=O)[O-])c1ccccc1F	64377144	BSXSKIAHJLXLHV-NSHDSACASA-N	291.347	4.728	5	20	CJBD	
CCC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	315785694	XLFVSMXVOBMYME-KDOFPFPSSA-N	298.386	4.787	5	20	CJBD	
O=[N+]([O-])c1cccc(-c2csc(C3CCCCC3)n2)c1	303010200	WSIAUJRREAVLHL-UHFFFAOYSA-N	288.372	4.766	5	20	CJBD	
CO[C@@H](C)CCNCc1c2ccccc2cc2ccccc12	726607963	ZGDFSJPWXYKBMC-HNNXBMFYSA-N	293.410	4.508	5	20	CJBD	
C[C@H](SCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	521612697	QXODUYSEWXRJJW-NSHDSACASA-N	291.347	4.728	5	20	CJBD	
Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1	531974721	SJVYYVIYNYLOJZ-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
O=[N+]([O-])c1cccc(-c2nc(C3CCCCC3)cs2)c1	603951835	HLINIHDXQVJIER-UHFFFAOYSA-N	288.372	4.766	5	20	CJBD	
Cc1cc(CSCc2ccc([N+](=O)[O-])cc2)c(C)s1	520639465	XNSYSQTWOJDUMI-UHFFFAOYSA-N	293.413	4.707	5	20	CJBD	
CC(=O)c1ccc(Oc2cccc(C(C)C)c2)c([N+](=O)[O-])c1	7980716	VCDRMXIOEYMRHE-UHFFFAOYSA-N	299.326	4.713	5	20	CJBD	
C[C@@H](SCc1cccc(F)c1)c1ccccc1[N+](=O)[O-]	437267992	LQDISWDGLOBQPW-LLVKDONJSA-N	291.347	4.728	5	20	CJBD	
O=[N+]([O-])c1ccc(SCc2ccc(Cl)s2)cc1	105540502	YEKJTTLDEJMAMJ-UHFFFAOYSA-N	285.777	4.602	5	20	CJBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1	604071337	BPVPURGHJVXLDU-SNVBAGLBSA-N	277.320	4.587	5	20	CJBD	
Cc1cc(C)cc([C@@H](C)Nc2cccc(F)c2[N+](=O)[O-])c1	730566821	GDZLDPXFHAQRFX-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
O=[N+]([O-])c1ccc(CSc2cccs2)c(Cl)c1	542935935	LVROMMKVAMUQHB-UHFFFAOYSA-N	285.777	4.602	5	20	CJBD	
C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1	35014117	AFSIEUYAXUAKSK-NSHDSACASA-N	282.299	4.514	5	20	CJBD	
Cc1cc(C)cc([C@H](C)Nc2cccc(F)c2[N+](=O)[O-])c1	730566826	GDZLDPXFHAQRFX-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
COC(C)(C)CNCc1c2ccccc2cc2ccccc12	742380023	FAMLJJYGOKGEMN-UHFFFAOYSA-N	293.410	4.508	5	20	CJBD	
C[C@@H](Sc1c(F)cccc1[N+](=O)[O-])c1cccs1	804476371	LZCRCMVDJSAXBU-MRVPVSSYSA-N	283.349	4.649	5	20	CJBD	
CCC(CC)S[C@H](C)c1ccccc1[N+](=O)[O-]	463261835	XSGSWAUEPNPOQE-SNVBAGLBSA-N	253.367	4.578	5	20	CJBD	
O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1nccs1	920337526	CRAMTJVOZIYQLX-UHFFFAOYSA-N	298.323	4.511	5	20	CJBD	
Cc1ccc(C(C)C)cc1Oc1nccc(C)c1[N+](=O)[O-]	303639642	HFUTWDNDLNIQLR-UHFFFAOYSA-N	286.331	4.522	5	20	CJBD	
O=[N+]([O-])c1cc(CSc2cccs2)ccc1Cl	37404438	IUMAFKLKAWUKBX-UHFFFAOYSA-N	285.777	4.602	5	20	CJBD	
Cc1cccc(C)c1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1	546930705	FEJYNIOZQVNCHD-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
O=[N+]([O-])c1cc(Cl)ccc1CSc1cccs1	609750677	ZTPHDVHGHKUQBN-UHFFFAOYSA-N	285.777	4.602	5	20	CJBD	
Cc1ccc(CNc2ccc(C(C)C)cc2)cc1[N+](=O)[O-]	37199951	BCSMOADTGXIZOU-UHFFFAOYSA-N	284.359	4.639	5	20	CJBD	
CCC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	315850131	LMCOYQVJMFUMCK-RDTXWAMCSA-N	298.386	4.787	5	20	CJBD	
C[C@H](SC1CCCCC1)c1ccccc1[N+](=O)[O-]	463034676	FPUZBHRUYNFCFV-NSHDSACASA-N	265.378	4.722	5	20	CJBD	
O=[N+]([O-])c1sccc1Oc1ccc(Cl)c(Cl)c1	603600520	JQSXHPFHQBMRDN-UHFFFAOYSA-N	290.127	4.755	5	20	CJBD	
Cc1ccc2nc(/C=C\c3ccc([N+](=O)[O-])cc3)ccc2c1	33476485	LYECLGKYALSACZ-CLTKARDFSA-N	290.322	4.622	5	20	CJBD	
C/C(=C\Cl)CS[C@H](C)c1ccccc1[N+](=O)[O-]	797811672	BEYDZTXEJOQJEA-TTZKWOQHSA-N	271.769	4.532	5	20	CJBD	
C[C@H](Sc1ccccc1[N+](=O)[O-])c1ccc(F)cc1	519874529	ZBEWUPBGNFLNAV-JTQLQIEISA-N	277.320	4.587	5	20	CJBD	
c1ccc2cc3cc([C@@H]4CCCCN4)ccc3cc2c1	1690152871	YTCPGUFQMDCBNO-IBGZPJMESA-N	261.368	4.808	5	20	CJBD	
O=[N+]([O-])c1ccccc1NCc1cccc(Cl)c1Cl	37058867	AATXAMHCXAUFNT-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)c(C)s1	48335259	RYSPDKVHHBRUQO-LLVKDONJSA-N	290.388	4.755	5	20	CJBD	
C[C@H](SCCCCCF)c1ccccc1[N+](=O)[O-]	551369351	ZCWIMDOVOZCHOZ-NSHDSACASA-N	271.357	4.529	5	20	CJBD	
CCCCOc1ccc([N+](=O)[O-])cc1-c1cccs1	575758336	YEXFIORSYQKIFX-UHFFFAOYSA-N	277.345	4.502	5	20	CJBD	
CCCc1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1	20526204	ROOLRHDDTPHYAI-ZDUSSCGKSA-N	284.359	4.720	5	20	CJBD	
Cc1ccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl	37176815	BVXMHNCYEJLDKV-LLVKDONJSA-N	290.750	4.730	5	20	CJBD	
CC(C)CN(C)C(=O)c1c2ccccc2cc2ccccc12	746510875	LHVPSVGSRBGXGA-UHFFFAOYSA-N	291.394	4.721	5	20	CJBD	
O=[N+]([O-])c1ccc(CNc2ccccc2Cl)cc1Cl	761514513	LNJGAKZKUNQYGX-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Oc1nc(C2CCCCC2)nc2cc3ccccc3cc12	614116073	ZXVFNWUMALYBNE-UHFFFAOYSA-N	278.355	4.536	5	20	CJBD	
C[C@H](SCc1ccc([N+](=O)[O-])cc1)c1cccs1	737405195	FTKLTHJIZPZXMA-JTQLQIEISA-N	279.386	4.651	5	20	CJBD	
C/C=C/c1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1	521483524	KDPPHBFELHEWTB-MASHWEEQSA-N	282.343	4.801	5	20	CJBD	
O=[N+]([O-])c1ccc(SCCCCC(F)(F)F)c(F)c1	618963630	SQBWMKZRSSRXBL-UHFFFAOYSA-N	297.273	4.559	5	20	CJBD	
CCC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	315850128	LMCOYQVJMFUMCK-KBXCAEBGSA-N	298.386	4.787	5	20	CJBD	
C[C@H](Nc1ccc(C2CC2)cc1)c1ccc([N+](=O)[O-])cc1	611304410	HZXVZTJTCBRJMW-LBPRGKRZSA-N	282.343	4.645	5	20	CJBD	
Cc1cc(C)cc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1	539295312	JYMNEUGHJSFZAC-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
C[C@H](Sc1ccccc1F)c1ccccc1[N+](=O)[O-]	463036786	LFFMCIJXNUOOAX-JTQLQIEISA-N	277.320	4.587	5	20	CJBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)c1cccs1	737422067	BYAXFCUTHZZRCH-MRVPVSSYSA-N	283.349	4.649	5	20	CJBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F	498131070	FGQAOHVIUQRVIH-SECBINFHSA-N	295.310	4.726	5	20	CJBD	
C[C@@H](CS/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1	789981990	GFKBUVJBMWZPRK-VMPCVLLUSA-N	289.356	4.695	5	20	CJBD	
Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)o1	36971210	OCDFDKASYOXPME-SECBINFHSA-N	294.738	4.631	5	20	CJBD	
C[C@@H](Sc1cccc(F)c1)c1ccccc1[N+](=O)[O-]	440852028	XIZRIJNWVCXMCV-SNVBAGLBSA-N	277.320	4.587	5	20	CJBD	
C/C=C/c1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	521483523	KDPPHBFELHEWTB-LQPUYASZSA-N	282.343	4.801	5	20	CJBD	
C[C@H](SC1=Nc2ccccc2C1)c1ccccc1[N+](=O)[O-]	742455043	WZHFWBKZYXHWLB-NSHDSACASA-N	298.367	4.675	5	20	CJBD	
Cc1sc(/C=C/C=C/c2ccccc2[N+](=O)[O-])cc1C=O	760265443	NZZOTFUNXFKKSN-JHMJBTLWSA-N	299.351	4.504	5	20	CJBD	
Cc1cc([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])c(C)s1	35252130	JFZMYEKHUYRAKS-VIFPVBQESA-N	294.351	4.585	5	20	CJBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F	604067451	ITZDQPMWUXNRBJ-VIFPVBQESA-N	295.310	4.726	5	20	CJBD	
C[C@@H](SCCCOC(C)(C)C)c1ccccc1[N+](=O)[O-]	610703818	UYGSFGHKENXLAX-GFCCVEGCSA-N	297.420	4.594	5	20	CJBD	
Cc1ccc(Sc2ccc([N+](=O)[O-])c3cnccc23)cc1	15209878	FYXSMTZZZXDTOL-UHFFFAOYSA-N	296.351	4.603	5	20	CJBD	
Cc1ccc(C)c([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1	52712471	QIQOGZPNUAVGAZ-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl	47873267	BCIWXWZKWYHUEX-VIFPVBQESA-N	294.713	4.560	5	20	CJBD	
C[C@H](Sc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1	520139205	XRAPMPUGKUENOV-VIFPVBQESA-N	295.310	4.726	5	20	CJBD	
C[C@H](Sc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-]	463267980	SMIWHJUACVHGSQ-VIFPVBQESA-N	295.310	4.726	5	20	CJBD	
Cc1ccc(F)cc1N[C@@H](C)c1cccc([N+](=O)[O-])c1C	539719673	WGQSDOVWCUPAJN-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
Cc1ccc(C)c(Oc2ccc3ncccc3c2[N+](=O)[O-])c1	480350395	UJOSOYAHDBVMCS-UHFFFAOYSA-N	294.310	4.552	5	20	CJBD	
Cc1cc(C)c([N+](=O)[O-])cc1N[C@@H](C)c1ccccc1F	159658278	TXRCMNPYWMBOQI-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
CC(=O)c1ccc(Oc2cc(C)cc(C)c2C)c([N+](=O)[O-])c1	7606918	RQBZWJHLRLBXDQ-UHFFFAOYSA-N	299.326	4.515	5	20	CJBD	
O=[N+]([O-])c1ccc(SCc2cccc(C(F)F)c2)cc1	479614304	HLTBTRKKFTTXFM-UHFFFAOYSA-N	295.310	4.825	5	20	CJBD	
C[C@H](SCc1cccc([N+](=O)[O-])c1)c1cccs1	737405115	ZEGFBZPJURUSMM-JTQLQIEISA-N	279.386	4.651	5	20	CJBD	
Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)c(C)o1	36971212	OCDFDKASYOXPME-VIFPVBQESA-N	294.738	4.631	5	20	CJBD	
Cc1c(F)cccc1N[C@@H](C)c1cccc([N+](=O)[O-])c1C	539741704	QPAYGBJTTZVAEH-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1	546930718	FEJYNIOZQVNCHD-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
Cc1csc(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1	778549637	AGNMDMDSYMSUSF-JTQLQIEISA-N	294.401	4.521	5	20	CJBD	
CC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1	315361838	AZSLWIHVZGPOPG-PBHICJAKSA-N	298.386	4.705	5	20	CJBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1ccccc1F	516381196	BAFKHVIKYDHSTB-SNVBAGLBSA-N	277.320	4.587	5	20	CJBD	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl	47873268	BCIWXWZKWYHUEX-SECBINFHSA-N	294.713	4.560	5	20	CJBD	
Cc1ccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1	513556147	CZHYPGDQAJKPBP-UHFFFAOYSA-N	284.359	4.639	5	20	CJBD	
Cc1ccc(SCc2ccccc2[N+](=O)[O-])cc1C	248125160	URQGQMWFAPQOIT-UHFFFAOYSA-N	273.357	4.504	5	20	CJBD	
CSc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])s1	619651770	MHSXNLRHXPUHOW-VIFPVBQESA-N	294.401	4.551	5	20	CJBD	
CC(C)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	72879369	ZTYREXHTJRJHNF-KBXCAEBGSA-N	298.386	4.643	5	20	CJBD	
Cc1ccc(CNc2ccc(C3CCC3)cc2)cc1[N+](=O)[O-]	864034784	ZVDROBFUFIBEMS-UHFFFAOYSA-N	296.370	4.783	5	20	CJBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	71996551	MYHUOLZAQADSFX-SNVBAGLBSA-N	277.320	4.587	5	20	CJBD	
O=[N+]([O-])c1ccccc1CSC/C=C\c1ccccc1	603766369	PARMPGQRKSYITB-TWGQIWQCSA-N	285.368	4.541	5	20	CJBD	
Cc1ccc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1	165903606	VIYDESKMNIJTSP-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
O=[N+]([O-])c1ccc(CSc2ccccc2Cl)cc1	60650073	ZFVHKUGRVIYWLC-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
C/C(=C\Cl)CS[C@@H](C)c1ccccc1[N+](=O)[O-]	797811670	BEYDZTXEJOQJEA-PCYYEKQGSA-N	271.769	4.532	5	20	CJBD	
Cc1cc(CSCc2cccc([N+](=O)[O-])c2)c(C)s1	507813405	JSSBVGHMRNOISO-UHFFFAOYSA-N	293.413	4.707	5	20	CJBD	
O=[N+]([O-])c1cccc(CSc2cccc(Cl)c2)c1	72076706	PRHSSGSRLCPMJS-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
C[C@@H](SCc1cccc([N+](=O)[O-])c1)c1cccs1	737405117	ZEGFBZPJURUSMM-SNVBAGLBSA-N	279.386	4.651	5	20	CJBD	
CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1	315751123	HQQYILLVHLKLDT-RDTXWAMCSA-N	298.386	4.705	5	20	CJBD	
C/C=C/c1ccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1	582852813	WLSWXMFOGVPNRJ-ITDFMYJTSA-N	282.343	4.801	5	20	CJBD	
O=[N+]([O-])c1ccc(CNc2cccc(Cl)c2)cc1Cl	783581083	LXGQFAADCAFEFJ-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
C[C@@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F	37061054	RZTUDTZDXQKOAL-SECBINFHSA-N	294.713	4.560	5	20	CJBD	
O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNc1ccccc1	811470310	WTMVHDHWXYTXEA-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
O=[N+]([O-])c1ccccc1CNc1ccc(Cl)c(Cl)c1	20048461	LPHTZWFYAMCULH-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
O=[N+]([O-])c1cccc(F)c1CSc1ccc(Cl)cc1	504513444	NOPWSBUWONHRJJ-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
O=[N+]([O-])c1ccccc1CSCc1ccc(Cl)s1	818329630	ALMHEIJECPGMPV-UHFFFAOYSA-N	299.804	4.743	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1	119635664	MOWXEHWNAXNVIX-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	62696936	QXODUYSEWXRJJW-LLVKDONJSA-N	291.347	4.728	5	20	CJBD	
Cc1ccc(SCc2cccc([N+](=O)[O-])c2)cc1C	248127220	VIPABAJSPDZCHW-UHFFFAOYSA-N	273.357	4.504	5	20	CJBD	
C[C@H](SCc1ccccc1)c1ccccc1[N+](=O)[O-]	463040402	VKLDSCDLRGAREG-LBPRGKRZSA-N	273.357	4.589	5	20	CJBD	
CCCCCS[C@H](C)c1ccccc1[N+](=O)[O-]	437267775	KGLVKJSAZOBGMM-LLVKDONJSA-N	253.367	4.579	5	20	CJBD	
C[C@H](Sc1cccs1)c1ccccc1[N+](=O)[O-]	78961655	RILBIGFVRWNUPP-VIFPVBQESA-N	265.359	4.510	5	20	CJBD	
O=[N+]([O-])c1ccc(Cl)cc1CSc1ccccc1	746390843	QQENTURFWWPXHZ-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
Cc1ccc(CNc2ccccc2C(C)C)cc1[N+](=O)[O-]	37198056	VYELIFRLKVPIJT-UHFFFAOYSA-N	284.359	4.639	5	20	CJBD	
Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)s1	36971117	JOWSKGPCNLSDJG-SECBINFHSA-N	296.779	4.791	5	20	CJBD	
Cc1cccc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)c1	437434826	WFBWWYGAEUNHGI-LBPRGKRZSA-N	273.357	4.757	5	20	CJBD	
O=[N+]([O-])c1cccc(CSc2ccc(F)c(Cl)c2)c1	612391598	BSSSLMXMLQJLFO-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
O=[N+]([O-])c1ccccc1Oc1ccc(-c2cscn2)cc1	610515898	DVIDZMRUNGDSLM-UHFFFAOYSA-N	298.323	4.511	5	20	CJBD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C	193901114	OWRKNNLQPFPEOL-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
C[C@@H](Nc1cccc(C(F)F)c1)c1ccccc1[N+](=O)[O-]	80467111	JINURPPGNINCLI-SNVBAGLBSA-N	292.285	4.706	5	20	CJBD	
CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1	320749377	VUQCWRLOZCXNLA-KDOFPFPSSA-N	298.386	4.705	5	20	CJBD	
O=[N+]([O-])c1ccc(Nc2cccc(Cl)c2)c2ccncc12	514309580	UEIYGHKYRWETTO-UHFFFAOYSA-N	299.717	4.540	5	20	CJBD	
C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1ccccc1F	517972967	CIFIZFUTEDZJQL-LLVKDONJSA-N	291.347	4.728	5	20	CJBD	
O=[N+]([O-])c1ccccc1N[C@H](c1ccccc1)C1CCC1	511455681	TXDZCPPYEKESFG-QGZVFWFLSA-N	282.343	4.548	5	20	CJBD	
C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1csc2ccccc12	729987451	ZZHYQHMJZLLGFW-NSHDSACASA-N	298.367	4.983	5	20	CJBD	
c1ccc2c(c1)nc(CSc1ncco1)c1ccccc12	569791056	CWNKAQYTILXCGO-UHFFFAOYSA-N	292.363	4.668	5	20	CJBD	
Cc1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)cc1C	5262166	RTVXHASHRKTJGV-UHFFFAOYSA-N	293.326	4.503	5	20	CJBD	
C[C@@H](SCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1	604046793	DROHYWXMVMYMRA-LLVKDONJSA-N	291.347	4.728	5	20	CJBD	
CC(C)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	72879371	ZTYREXHTJRJHNF-RDTXWAMCSA-N	298.386	4.643	5	20	CJBD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C	193901141	OWRKNNLQPFPEOL-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
CC(=O)[C@@H](C)SCc1nc2ccccc2c2ccccc12	530721522	POFRGLFAJDQMHG-CYBMUJFWSA-N	295.407	4.599	5	20	CJBD	
Cc1c(CS[C@@H](C)c2cccs2)cccc1[N+](=O)[O-]	737404658	ACIMWOKFWWZEKP-NSHDSACASA-N	293.413	4.959	5	20	CJBD	
CCc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	216262887	XBOBEBZTIHSMEG-KGLIPLIRSA-N	298.386	4.569	5	20	CJBD	
C[C@H](Sc1c(F)cccc1[N+](=O)[O-])c1cccs1	804476372	LZCRCMVDJSAXBU-QMMMGPOBSA-N	283.349	4.649	5	20	CJBD	
Cc1sc(/C=C/C=C\c2ccccc2[N+](=O)[O-])cc1C=O	760265454	NZZOTFUNXFKKSN-VKDZAETISA-N	299.351	4.504	5	20	CJBD	
C[C@@H](Sc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-]	463267979	SMIWHJUACVHGSQ-SECBINFHSA-N	295.310	4.726	5	20	CJBD	
O=[N+]([O-])c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1	35223871	IBAQEWFWUZDRHU-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
C[C@H](SC[C@@H](C)C(F)(F)F)c1ccccc1[N+](=O)[O-]	439070157	UWKUOOUGOWAELZ-BDAKNGLRSA-N	293.310	4.587	5	20	CJBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1	498109892	JGQHATGCOZQUAE-VIFPVBQESA-N	295.310	4.726	5	20	CJBD	
C/C=C/c1ccc(NCc2cccc([N+](=O)[O-])c2C)cc1	519846506	LFZQNBGDGRCUFE-HWKANZROSA-N	282.343	4.548	5	20	CJBD	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SCCOC(C)(C)C	486146316	KADLIYKCYPLPKT-GFCCVEGCSA-N	297.420	4.513	5	20	CJBD	
C[C@@H](SCc1c(F)cccc1[N+](=O)[O-])c1cccs1	737402917	QOHTVGXRDASOPO-SECBINFHSA-N	297.376	4.790	5	20	CJBD	
Cc1ccc(S[C@H](C)c2ccccc2[N+](=O)[O-])cc1	463035830	PTBUKFHKDMEQHX-GFCCVEGCSA-N	273.357	4.757	5	20	CJBD	
CCC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	315785697	XLFVSMXVOBMYME-RDTXWAMCSA-N	298.386	4.787	5	20	CJBD	
CCC[C@@H](CC)SCc1nc2cc([N+](=O)[O-])ccc2o1	477076255	JUOUXXAILFFABN-LLVKDONJSA-N	294.376	4.548	5	20	CJBD	
Cc1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c(F)c1	539647517	COPRNIRNVWDAQJ-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
CC(C)c1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1	20526001	URGLEVJJWPSTKQ-ZDUSSCGKSA-N	284.359	4.891	5	20	CJBD	
Cc1cc(NCc2csc3ccccc23)ccc1[N+](=O)[O-]	48337147	PISQHSLEONTLDW-UHFFFAOYSA-N	298.367	4.730	5	20	CJBD	
Cc1ccc(SCc2ccc([N+](=O)[O-])cc2)cc1C	72099332	HUKAVUHCFOVEKQ-UHFFFAOYSA-N	273.357	4.504	5	20	CJBD	
CCc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C	603923735	MZWBNKQDTOXYCL-UHFFFAOYSA-N	292.338	4.681	5	20	CJBD	
O=[N+]([O-])c1ccccc1CSc1cccc(Cl)c1	522393192	XLLYZQKLQUHIEU-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-]	546228257	JJIYGPYQHVTSDR-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
Cc1c([C@@H](C)Nc2ccc(C3CC3)cc2)cccc1[N+](=O)[O-]	611477235	CAZAOKLOPAUCMF-CYBMUJFWSA-N	296.370	4.954	5	20	CJBD	
C/C=C\c1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1	521483522	KDPPHBFELHEWTB-HSBHDXMMSA-N	282.343	4.801	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1	193900599	LZFSFJNXXDBADP-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
C[C@H](SCc1cccc(F)c1)c1ccccc1[N+](=O)[O-]	437267993	LQDISWDGLOBQPW-NSHDSACASA-N	291.347	4.728	5	20	CJBD	
C/C=C/c1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1	554085645	FVOGNJIFNKKCTG-YIALFULDSA-N	282.343	4.801	5	20	CJBD	
CC(C)[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	78972143	DMRNYGKLWJUHNR-KSSFIOAISA-N	298.386	4.643	5	20	CJBD	
C/C(=C/Cl)CS[C@@H](C)c1ccccc1[N+](=O)[O-]	797811671	BEYDZTXEJOQJEA-RNKPRXRFSA-N	271.769	4.532	5	20	CJBD	
C[C@@H](Nc1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1	611477241	DEJBYZFPKAYHFN-GFCCVEGCSA-N	282.343	4.645	5	20	CJBD	
C[C@@H](Nc1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1	226039041	QCBQEEFUKUQEAF-SECBINFHSA-N	294.713	4.560	5	20	CJBD	
C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1ccccc1	603775981	MRVQWEOQHYZJGE-GFCCVEGCSA-N	273.357	4.589	5	20	CJBD	
C[C@@H](Sc1ccc(F)cc1[N+](=O)[O-])c1cccs1	737423006	MHUYHYMSWZJJFE-MRVPVSSYSA-N	283.349	4.649	5	20	CJBD	
Cc1ccc(Sc2ccc3ncccc3c2[N+](=O)[O-])cc1	480372914	BSYXRCHLKZHIKZ-UHFFFAOYSA-N	296.351	4.603	5	20	CJBD	
Cc1ccc(SCc2ccccc2[N+](=O)[O-])c(C)c1	247896840	XRRZIRGWVUYTAM-UHFFFAOYSA-N	273.357	4.504	5	20	CJBD	
CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1	315580795	QPOMMTNZMHAKBG-KSSFIOAISA-N	298.386	4.705	5	20	CJBD	
C[C@H](SCc1cccc([N+](=O)[O-])c1)c1ccccc1	216096732	MUTRZLLVIMQOGJ-LBPRGKRZSA-N	273.357	4.589	5	20	CJBD	
C[C@H](Nc1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1	226039052	QCBQEEFUKUQEAF-VIFPVBQESA-N	294.713	4.560	5	20	CJBD	
Cc1cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1C1CC1	478417154	PTOHKULZINMEBV-ZDUSSCGKSA-N	296.370	4.954	5	20	CJBD	
CCC[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	34990201	HXYYIPZBVYLQAV-INIZCTEOSA-N	270.332	4.548	5	20	CJBD	
Cc1cccc(S[C@H](C)c2ccccc2[N+](=O)[O-])c1	463256130	JOEWKDGSJPLQSP-GFCCVEGCSA-N	273.357	4.757	5	20	CJBD	
CC(C)c1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	480675004	LLGWANDGESPVRN-AWEZNQCLSA-N	298.386	4.569	5	20	CJBD	
Cc1cccc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	178684546	CFXISULXTIIKQI-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1	315361841	AZSLWIHVZGPOPG-RHSMWYFYSA-N	298.386	4.705	5	20	CJBD	
C[C@H](CS[C@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F	439029692	SMIPWKJDOCMNKA-RKDXNWHRSA-N	293.310	4.587	5	20	CJBD	
CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1	315580791	QPOMMTNZMHAKBG-KBXCAEBGSA-N	298.386	4.705	5	20	CJBD	
C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1	1321037243	OMSRSIXVICWKGD-ACCUITESSA-N	290.322	4.704	5	20	CJBD	
Cc1ccc2nc(/C=C\c3ccccc3[N+](=O)[O-])ccc2c1	207995805	XFPAHIBDRIBARO-CLFYSBASSA-N	290.322	4.622	5	20	CJBD	
Cc1ccccc1-c1csc(-c2ccc([N+](=O)[O-])cc2)n1	917629759	SWWDDFFFWORINW-UHFFFAOYSA-N	296.351	4.694	5	20	CJBD	
C[C@H](Sc1sccc1[N+](=O)[O-])c1ccc(F)cc1	302013323	ZYRAVUPQDDLLSI-QMMMGPOBSA-N	283.349	4.649	5	20	CJBD	
C[C@H](Nc1cccc2c1CCCC2)c1ccccc1[N+](=O)[O-]	386466752	XRQDCYUMCCUBCW-ZDUSSCGKSA-N	296.370	4.647	5	20	CJBD	
Cc1ccc2nc(/C=C/c3ccccc3[N+](=O)[O-])ccc2c1	7586279	XFPAHIBDRIBARO-VQHVLOKHSA-N	290.322	4.622	5	20	CJBD	
CC(C)[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	78972150	DMRNYGKLWJUHNR-KDOFPFPSSA-N	298.386	4.643	5	20	CJBD	
C[C@@H](Nc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	314373732	PMSXEWXVXOOWJX-CYBMUJFWSA-N	292.338	4.921	5	20	CJBD	
CCCC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1	315537632	GZGVVICCACPTCQ-SFHVURJKSA-N	298.386	4.616	5	20	CJBD	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	317745570	OIGBODYUKKTDHV-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
CC(C)[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	78972188	MZECCGXLGBTQAL-RDTXWAMCSA-N	298.386	4.643	5	20	CJBD	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1SC1CCCC1	57367021	COXZQIJNBFAGLU-UHFFFAOYSA-N	291.294	4.648	5	20	CJBD	
C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1cccs1	737405197	FTKLTHJIZPZXMA-SNVBAGLBSA-N	279.386	4.651	5	20	CJBD	
Cc1cccc([C@@H]2CCCN2c2ccccc2[N+](=O)[O-])c1C	462864405	XUPHZGSSUHQZDP-INIZCTEOSA-N	296.370	4.553	5	20	CJBD	
N[C@H](c1ccc2cc3ccccc3cc2c1)C(F)(F)F	72195727	GYHKGMNJBQKBNZ-OAHLLOKOSA-N	275.273	4.555	5	20	CJBD	
O=[N+]([O-])c1ccc(Oc2ccc(-c3cscn3)cc2)cc1	611370767	DXRFVSKXBYWQJF-UHFFFAOYSA-N	298.323	4.511	5	20	CJBD	
Cc1c(CNc2cccc3ccsc23)cccc1[N+](=O)[O-]	386485009	XLKQGHZIAIHPET-UHFFFAOYSA-N	298.367	4.730	5	20	CJBD	
CC(C)(C)CC(C)(C)NCc1ccc(Cl)cc1[N+](=O)[O-]	50443945	YDSPCVZCSFWPNT-UHFFFAOYSA-N	298.814	4.553	5	20	CJBD	
CSc1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1	57688882	MMCXRJHKZXAELC-UHFFFAOYSA-N	291.397	4.609	5	20	CJBD	
CC[C@H](N[C@@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	195656558	OKUQILKZWHFWNK-KSSFIOAISA-N	298.386	4.705	5	20	CJBD	
C/C=C\c1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	521483521	KDPPHBFELHEWTB-DXTPNHAXSA-N	282.343	4.801	5	20	CJBD	
Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)c(C)s1	47873325	QRSDYFCKZRJEBK-VIFPVBQESA-N	294.351	4.585	5	20	CJBD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1	165904104	ZILWFFWROUXUMN-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
Cc1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl	19998400	VAPDYPFXELHZAH-LLVKDONJSA-N	290.750	4.730	5	20	CJBD	
C[C@H](Nc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	314373735	PMSXEWXVXOOWJX-ZDUSSCGKSA-N	292.338	4.921	5	20	CJBD	
CC(C)c1cccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1	480675005	LLGWANDGESPVRN-CQSZACIVSA-N	298.386	4.569	5	20	CJBD	
O=[N+]([O-])c1ccc(Cl)c(CSc2ccc(F)cc2)c1	36964977	AMMHATJUCFDJKA-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
CC[C@H](c1ccccc1)N(CC)Cc1ccccc1[N+](=O)[O-]	519909465	YSTQAMBLIJBBCH-QGZVFWFLSA-N	298.386	4.568	5	20	CJBD	
C[C@H](CS/C=C\c1ccc([N+](=O)[O-])o1)c1ccccc1	789981991	GFKBUVJBMWZPRK-ZWLSGLHFSA-N	289.356	4.695	5	20	CJBD	
C[C@H](SCCc1ccc([N+](=O)[O-])cc1)c1cccs1	737405156	FGNLCGWWSDRWKM-NSHDSACASA-N	293.413	4.693	5	20	CJBD	
C/C=C\c1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1	554085642	FVOGNJIFNKKCTG-ACVFHECNSA-N	282.343	4.801	5	20	CJBD	
O=[N+]([O-])c1cccc(Cl)c1CNc1cccc(Cl)c1	104321514	OHKRGESKMZXULF-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
C[C@@H](Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1	26759444	RDLKHVGPIUIRAO-LLVKDONJSA-N	282.299	4.514	5	20	CJBD	
C[C@@H](Sc1sccc1[N+](=O)[O-])c1ccc(F)cc1	302013322	ZYRAVUPQDDLLSI-MRVPVSSYSA-N	283.349	4.649	5	20	CJBD	
C[C@H](Sc1ccc(F)cc1)c1ccccc1[N+](=O)[O-]	463040437	VXODTDRCVMXAET-JTQLQIEISA-N	277.320	4.587	5	20	CJBD	
O=[N+]([O-])c1cccc(SCc2cccc(C(F)F)c2)c1	509726286	BOHCDMUDZRUJCA-UHFFFAOYSA-N	295.310	4.825	5	20	CJBD	
Cc1ccc([C@@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])s1	36971557	HZIXVSVUMFUKFR-SECBINFHSA-N	296.779	4.791	5	20	CJBD	
Cc1cc([C@@H](C)Nc2cccc(F)c2[N+](=O)[O-])c(C)s1	48805635	JBRMVNDIVFGYQX-SECBINFHSA-N	294.351	4.585	5	20	CJBD	
CN(C(=O)c1c2ccccc2cc2ccccc12)C1CCC1	173479034	QQSRHJOSRQFJSZ-UHFFFAOYSA-N	289.378	4.618	5	20	CJBD	
C[C@@H](SCCc1ccc([N+](=O)[O-])cc1)c1cccs1	737405154	FGNLCGWWSDRWKM-LLVKDONJSA-N	293.413	4.693	5	20	CJBD	
Cc1cccc(C)c1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1	544896469	FLESWECJLIMZKD-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
C[C@@H](SCc1ccccc1[N+](=O)[O-])c1ccccc1	609235410	YKJXKJIBLLUNAU-GFCCVEGCSA-N	273.357	4.589	5	20	CJBD	
C/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1	885709429	QTIGKIDYIKWIDH-OUKQBFOZSA-N	290.322	4.704	5	20	CJBD	
CC(C)(C)C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1	525128773	FBVHRLIKIOVJGZ-CQSZACIVSA-N	299.374	4.579	5	20	CJBD	
O=[N+]([O-])c1cccc(Cl)c1CNc1ccccc1Cl	111333166	DWVYZDBJLOHJGG-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1F)c1cccs1	737422070	BYAXFCUTHZZRCH-QMMMGPOBSA-N	283.349	4.649	5	20	CJBD	
C/C=C\c1ccc(NCc2cccc([N+](=O)[O-])c2C)cc1	519846526	LFZQNBGDGRCUFE-HYXAFXHYSA-N	282.343	4.548	5	20	CJBD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1	193900584	LZFSFJNXXDBADP-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1	414219585	HVJYHEHVCRLORE-RHSMWYFYSA-N	298.386	4.705	5	20	CJBD	
Cc1ccc(C)c(SCc2ccccc2[N+](=O)[O-])c1	253598379	JUEQXOVMZZPOQX-UHFFFAOYSA-N	273.357	4.504	5	20	CJBD	
Cc1c([C@H](C)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12	315476256	KMFBMYSPUGKULH-LBPRGKRZSA-N	296.326	4.823	5	20	CJBD	
O=[N+]([O-])c1ccc(/C=C/SCCCc2ccccc2)o1	789919812	GXWKYJDRXFGUBZ-ZRDIBKRKSA-N	289.356	4.525	5	20	CJBD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1	119636164	MOWXEHWNAXNVIX-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
C[C@@H](SCc1cccc([N+](=O)[O-])c1)c1ccccc1F	507816286	VEEBNVNFBJFEIO-LLVKDONJSA-N	291.347	4.728	5	20	CJBD	
COc1ccccc1[C@@H](C)Sc1sccc1[N+](=O)[O-]	611412640	BIMHKFRTTBUMPP-SECBINFHSA-N	295.385	4.518	5	20	CJBD	
C[C@@H](SC[C@H](C)C(F)(F)F)c1cccc([N+](=O)[O-])c1	439029690	SMIPWKJDOCMNKA-DTWKUNHWSA-N	293.310	4.587	5	20	CJBD	
C[C@@H](SCc1ccccc1[N+](=O)[O-])c1ccccc1F	604511498	BSXSKIAHJLXLHV-LLVKDONJSA-N	291.347	4.728	5	20	CJBD	
C[C@@H](Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1	20358646	OJOREQFBXRIBBD-SECBINFHSA-N	294.713	4.560	5	20	CJBD	
C[C@@H](SC1=Nc2ccccc2C1)c1ccccc1[N+](=O)[O-]	742455040	WZHFWBKZYXHWLB-LLVKDONJSA-N	298.367	4.675	5	20	CJBD	
Cc1ccccc1S[C@@H](C)c1ccccc1[N+](=O)[O-]	463262247	YUBAQJJQXBCMNB-LBPRGKRZSA-N	273.357	4.757	5	20	CJBD	
CCc1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1	216263013	XBOBEBZTIHSMEG-UONOGXRCSA-N	298.386	4.569	5	20	CJBD	
Cc1ccc(SCc2cccc([N+](=O)[O-])c2C)cc1	603722865	RUANWLACHYYBIU-UHFFFAOYSA-N	273.357	4.504	5	20	CJBD	
Cc1ccccc1[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	120369534	IFBCTIHXOWSPMW-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
C[C@H](Nc1sccc1[N+](=O)[O-])c1cc2ccccc2o1	301940874	VBRPQOJXIHHULO-VIFPVBQESA-N	288.328	4.576	5	20	CJBD	
O=[N+]([O-])c1ccc(Cl)cc1CSc1ccccc1F	746390399	GGBOWHYGRRIECH-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
C[C@@H](Nc1ccsc1[N+](=O)[O-])c1cc2ccccc2o1	49056662	SDYCHHMZIARIBG-SECBINFHSA-N	288.328	4.576	5	20	CJBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)c1ccccc1F	604512749	MYRKSEHCXRTPAJ-SECBINFHSA-N	295.310	4.726	5	20	CJBD	
CCc1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	216262930	XBOBEBZTIHSMEG-KBPBESRZSA-N	298.386	4.569	5	20	CJBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F	195541863	OJKRJNOLXQXISB-SECBINFHSA-N	295.310	4.726	5	20	CJBD	
O=[N+]([O-])c1cc(CNc2ccccc2Cl)ccc1Cl	149338586	YSRFOWBFLRIVCN-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1cc(F)cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1	538639102	CWJWIDFQFYTICL-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F	60518551	FGQAOHVIUQRVIH-VIFPVBQESA-N	295.310	4.726	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1	165903733	VIYDESKMNIJTSP-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
c1ccc2cc3cc([C@H]4CCCCN4)ccc3cc2c1	1690152872	YTCPGUFQMDCBNO-LJQANCHMSA-N	261.368	4.808	5	20	CJBD	
CCCC[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1	315155595	UESDPFCVGHFOFS-KRWDZBQOSA-N	298.386	4.616	5	20	CJBD	
CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1	130902259	ZIEMHWUYLOUZSA-WMLDXEAASA-N	298.386	4.705	5	20	CJBD	
Cc1cccc(C)c1[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-]	546228254	JJIYGPYQHVTSDR-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
Cc1c(CNc2cccc3ccccc23)cccc1[N+](=O)[O-]	97335881	FEZCGIMVNIOENB-UHFFFAOYSA-N	292.338	4.669	5	20	CJBD	
CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1	130902471	ZIEMHWUYLOUZSA-PBHICJAKSA-N	298.386	4.705	5	20	CJBD	
O=[N+]([O-])c1cc(Cl)ccc1CSc1ccccc1	609693397	RGELIKUYSXFTSQ-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
O=[N+]([O-])c1ccc(SCc2ccc(F)cc2Cl)cc1	6333415	PVPZQACORQQRBI-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
C[C@@H](Nc1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-]	37070063	HCMHCUGCUMTTES-SECBINFHSA-N	294.713	4.560	5	20	CJBD	
Cc1cccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C	178656813	DLNKZSKFZHPTAH-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
Cc1ccc(CNc2cccc3ccccc23)cc1[N+](=O)[O-]	237807489	PQJQPKFKRMGSOC-UHFFFAOYSA-N	292.338	4.669	5	20	CJBD	
Cc1ccc(F)cc1N[C@H](C)c1cccc([N+](=O)[O-])c1C	539719672	WGQSDOVWCUPAJN-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
C[C@H](Sc1ccccc1[N+](=O)[O-])c1cccs1	737423873	YRSGSMZUYNCJCC-VIFPVBQESA-N	265.359	4.510	5	20	CJBD	
Cc1c(CNc2ccc(C(C)C)cc2)cccc1[N+](=O)[O-]	35648696	FXGLBYQYBAWNGV-UHFFFAOYSA-N	284.359	4.639	5	20	CJBD	
Cc1cccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1C	178656827	DLNKZSKFZHPTAH-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
O=[N+]([O-])c1ccc(SCc2ccc(C(F)F)cc2)cc1	460759838	RKIFEDZIWGHXLC-UHFFFAOYSA-N	295.310	4.825	5	20	CJBD	
C[C@H](Nc1ccc(C2CC2)cc1)c1ccccc1[N+](=O)[O-]	611304369	ATSOWNNLJGDTOK-LBPRGKRZSA-N	282.343	4.645	5	20	CJBD	
CCc1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1	216262974	XBOBEBZTIHSMEG-ZIAGYGMSSA-N	298.386	4.569	5	20	CJBD	
Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1	531974719	SJVYYVIYNYLOJZ-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
Cc1ccc(CNc2cccc(C3CCC3)c2)cc1[N+](=O)[O-]	864038010	DFDLDPYWBNRHGY-UHFFFAOYSA-N	296.370	4.783	5	20	CJBD	
C[C@H](Nc1cccc(C(F)F)c1)c1ccccc1[N+](=O)[O-]	80467107	JINURPPGNINCLI-JTQLQIEISA-N	292.285	4.706	5	20	CJBD	
Cc1cccc([C@H]2CCCN2c2ccccc2[N+](=O)[O-])c1C	462864406	XUPHZGSSUHQZDP-MRXNPFEDSA-N	296.370	4.553	5	20	CJBD	
Fc1c(Br)c2ccccc2c2ccccc12	2332241131	NSQBZHZDTRPDPT-UHFFFAOYSA-N	275.120	4.895	5	20	CJBD	
Cc1c(Cl)cccc1N[C@@H](C)c1ccccc1[N+](=O)[O-]	20525963	MIJWZJYADQGQPB-NSHDSACASA-N	290.750	4.730	5	20	CJBD	
C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	37177185	IGGXAPGGWWDORD-VIFPVBQESA-N	294.713	4.560	5	20	CJBD	
Cc1cccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1C	173420362	AIRPZMBPKILPAO-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
C[C@H](Nc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	314468385	KECAIQWFQWEDBZ-ZDUSSCGKSA-N	292.338	4.921	5	20	CJBD	
O=[N+]([O-])c1cccc(Cl)c1CNc1ccc(Cl)cc1	111333153	NVQFOSNYGGTQGT-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1ccsc1/C=C\c1ccc2cccc([N+](=O)[O-])c2n1	33527739	QPXZHGQTFRJBMS-FPLPWBNLSA-N	296.351	4.683	5	20	CJBD	
Cc1cccc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c1	437434825	WFBWWYGAEUNHGI-GFCCVEGCSA-N	273.357	4.757	5	20	CJBD	
O=[N+]([O-])c1ccc(CNc2ccc(Cl)cc2)cc1Cl	761515908	VNKXMLJDGAHLOD-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1ccc(CNc2cccc3ccsc23)cc1[N+](=O)[O-]	386333094	QDUZFPBHCLYRCZ-UHFFFAOYSA-N	298.367	4.730	5	20	CJBD	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1	47873270	LHIRIPVJQCEMNP-SECBINFHSA-N	294.713	4.560	5	20	CJBD	
C[C@@H](SCc1ccc([N+](=O)[O-])cc1F)c1cccs1	747810825	YZFUUXLBFBTSLV-SECBINFHSA-N	297.376	4.790	5	20	CJBD	
Cc1cc(F)ccc1N[C@@H](C)c1cccc([N+](=O)[O-])c1C	540821557	LWIGXMONEDEIRX-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
Cc1c(CNc2ccc3ccccc3c2)cccc1[N+](=O)[O-]	97336799	GKQKHRDCUDIGLB-UHFFFAOYSA-N	292.338	4.669	5	20	CJBD	
C[C@H](Nc1cccc2ccsc12)c1cccc([N+](=O)[O-])c1	386237563	AFCBRIDQJSBJGO-NSHDSACASA-N	298.367	4.983	5	20	CJBD	
C/C(=C/c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1	1321037244	OMSRSIXVICWKGD-QBFSEMIESA-N	290.322	4.704	5	20	CJBD	
CC[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)c1cccs1	49531350	OOGGXQKVPHQAOF-LBPRGKRZSA-N	276.361	4.528	5	20	CJBD	
Cc1cc(C)cc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1	531974720	SJVYYVIYNYLOJZ-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
CC(C)(C)c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1	21813312	RCZCOXVVANJUQJ-UHFFFAOYSA-N	284.359	4.504	5	20	CJBD	
C[C@@H](SCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1	521611827	HSIHNCCCVOJHDW-LLVKDONJSA-N	291.347	4.728	5	20	CJBD	
Cc1c(O)cc2ccc3c(C)c(O)cc4ccc1c2c43	15121065	YVIRWYDEYOKIRX-UHFFFAOYSA-N	262.308	4.612	5	20	CJBD	
O=[N+]([O-])c1ccc(F)cc1CSc1ccccc1Cl	915790610	YOHKDVSGVZYAGS-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
Cc1ccc(C)c([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1	52712470	QIQOGZPNUAVGAZ-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])s2)c(C)s1	604408738	FPHNABXPQYIGAM-QMMMGPOBSA-N	282.390	4.508	5	20	CJBD	
O=[N+]([O-])c1ccc(Cl)cc1CNc1ccccc1Cl	93632505	XCKXBJJJJCAURQ-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1	119636000	MOWXEHWNAXNVIX-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
O=[N+]([O-])c1ccc(SCc2ccccc2)c(Cl)c1	57366929	WCBAXKSFMOJVIU-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
O=[N+]([O-])c1cccc(F)c1CSc1cccc(Cl)c1	504542662	SSYBEROQHIBGLU-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C	193901101	OWRKNNLQPFPEOL-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1	315361848	AZSLWIHVZGPOPG-YOEHRIQHSA-N	298.386	4.705	5	20	CJBD	
CC(=O)[C@H](C)SCc1nc2ccccc2c2ccccc12	530721523	POFRGLFAJDQMHG-ZDUSSCGKSA-N	295.407	4.599	5	20	CJBD	
CCC[C@H](NCc1ccccc1C)c1cccc([N+](=O)[O-])c1	314640076	FDEWQTGPKZTDOU-SFHVURJKSA-N	298.386	4.534	5	20	CJBD	
O=[N+]([O-])c1cc(-c2nc3cccc(Cl)c3s2)cs1	513856713	AMIGBQIAZUOGIB-UHFFFAOYSA-N	296.760	4.586	5	20	CJBD	
C[C@@H]1CCCN1C(=O)c1c2ccccc2cc2ccccc12	1252686666	ZKDQBHILKOYMEC-CQSZACIVSA-N	289.378	4.618	5	20	CJBD	
Cc1ccsc1/C=C\c1ccc2c([N+](=O)[O-])cccc2n1	213646267	LUXXNSWBAZNYNG-VURMDHGXSA-N	296.351	4.683	5	20	CJBD	
CCCC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1	315537629	GZGVVICCACPTCQ-GOSISDBHSA-N	298.386	4.616	5	20	CJBD	
C[C@H](Nc1ccccc1[N+](=O)[O-])c1csc2ccccc12	729986652	PPQWIIFFUXCXGO-NSHDSACASA-N	298.367	4.983	5	20	CJBD	
Cc1cc(N[C@@H](C)c2ccccc2Cl)ccc1[N+](=O)[O-]	48331298	VHNUTNVEQKCTAL-NSHDSACASA-N	290.750	4.730	5	20	CJBD	
C[C@@H](Sc1cccs1)c1ccccc1[N+](=O)[O-]	78961661	RILBIGFVRWNUPP-SECBINFHSA-N	265.359	4.510	5	20	CJBD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1	165904342	ZILWFFWROUXUMN-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
C[C@@H](Nc1cccc2c1CCCC2)c1ccccc1[N+](=O)[O-]	386466751	XRQDCYUMCCUBCW-CYBMUJFWSA-N	296.370	4.647	5	20	CJBD	
CC(C)[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	78972145	DMRNYGKLWJUHNR-KBXCAEBGSA-N	298.386	4.643	5	20	CJBD	
O=[N+]([O-])c1ccccc1Oc1cc(Cl)ccc1Cl	6398863	RPHIFXGARPFXRD-UHFFFAOYSA-N	284.098	4.694	5	20	CJBD	
CCC(CC)S[C@@H](C)c1ccccc1[N+](=O)[O-]	463261834	XSGSWAUEPNPOQE-JTQLQIEISA-N	253.367	4.578	5	20	CJBD	
CO[C@H](C)CCNCc1c2ccccc2cc2ccccc12	726607964	ZGDFSJPWXYKBMC-OAHLLOKOSA-N	293.410	4.508	5	20	CJBD	
C[C@@H](Nc1cccc2ccsc12)c1cccc([N+](=O)[O-])c1	386237562	AFCBRIDQJSBJGO-LLVKDONJSA-N	298.367	4.983	5	20	CJBD	
Cc1c([C@H](C)Nc2ccc(C3CC3)cc2)cccc1[N+](=O)[O-]	611477236	CAZAOKLOPAUCMF-ZDUSSCGKSA-N	296.370	4.954	5	20	CJBD	
CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)c1)c1cccs1	49531351	OOGGXQKVPHQAOF-GFCCVEGCSA-N	276.361	4.528	5	20	CJBD	
Cc1ccc2nc(/C=C\c3cccc([N+](=O)[O-])c3)ccc2c1	96759328	WMUIPIGTNMQLTN-VURMDHGXSA-N	290.322	4.622	5	20	CJBD	
COCCCCCS[C@@H](C)c1cc([N+](=O)[O-])ccc1C	486103510	NMFRMJGNOUUFCQ-ZDUSSCGKSA-N	297.420	4.514	5	20	CJBD	
CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1	130902013	ZIEMHWUYLOUZSA-YOEHRIQHSA-N	298.386	4.705	5	20	CJBD	
Cc1cc([C@@H](C)Nc2ccc([N+](=O)[O-])s2)c(C)s1	604408737	FPHNABXPQYIGAM-MRVPVSSYSA-N	282.390	4.508	5	20	CJBD	
Cc1cccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1C	173420373	AIRPZMBPKILPAO-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
O=[N+]([O-])c1cc(CNc2cccc(C3CCC3)c2)cs1	461726315	JXCDETFGOCLYBG-UHFFFAOYSA-N	288.372	4.536	5	20	CJBD	
CC(C)[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	78972172	MZECCGXLGBTQAL-KSSFIOAISA-N	298.386	4.643	5	20	CJBD	
CC(C)[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	78972180	MZECCGXLGBTQAL-KBXCAEBGSA-N	298.386	4.643	5	20	CJBD	
Cc1ccc(-c2csc(-c3ccccc3)n2)cc1[N+](=O)[O-]	7889382	YXHCWTFVRBPBAV-UHFFFAOYSA-N	296.351	4.694	5	20	CJBD	
COCCCCNCc1c2ccccc2cc2ccccc12	237185458	PIRNNFVAKAVDKL-UHFFFAOYSA-N	293.410	4.509	5	20	CJBD	
Cc1cc(C)cc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1	317745566	OIGBODYUKKTDHV-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
CCCCCS[C@@H](C)c1ccccc1[N+](=O)[O-]	437267778	KGLVKJSAZOBGMM-NSHDSACASA-N	253.367	4.579	5	20	CJBD	
Cc1c(Cl)cccc1N[C@H](C)c1ccccc1[N+](=O)[O-]	20525962	MIJWZJYADQGQPB-LLVKDONJSA-N	290.750	4.730	5	20	CJBD	
Cc1cc([C@@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)o1	36971659	UPGPRWWCRMNFMZ-SECBINFHSA-N	294.738	4.631	5	20	CJBD	
C[C@@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])cc1Cl	796473816	MQLLBVTVMBJCDT-VIFPVBQESA-N	296.779	4.507	5	20	CJBD	
C/C=C\c1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1	554085643	FVOGNJIFNKKCTG-RJNRQISESA-N	282.343	4.801	5	20	CJBD	
CC(C)c1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1	478403279	JBGNFINBYSGDMJ-AWEZNQCLSA-N	298.386	4.569	5	20	CJBD	
CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1	414219587	HVJYHEHVCRLORE-WMLDXEAASA-N	298.386	4.705	5	20	CJBD	
O=[N+]([O-])c1ccccc1CSCCCCC(F)(F)F	507636880	WDMIESFTEWJLBR-UHFFFAOYSA-N	293.310	4.561	5	20	CJBD	
Cc1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1C	538510503	PPUFSJZJAAHOGL-CQSZACIVSA-N	284.359	4.693	5	20	CJBD	
C/C(=C/Cl)CS[C@H](C)c1ccccc1[N+](=O)[O-]	797811673	BEYDZTXEJOQJEA-UJICNMFASA-N	271.769	4.532	5	20	CJBD	
CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1	130902669	ZIEMHWUYLOUZSA-RHSMWYFYSA-N	298.386	4.705	5	20	CJBD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1	193900615	LZFSFJNXXDBADP-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
Cc1cccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C	173420347	AIRPZMBPKILPAO-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
C[C@H](Sc1cccc(F)c1)c1ccccc1[N+](=O)[O-]	440852027	XIZRIJNWVCXMCV-JTQLQIEISA-N	277.320	4.587	5	20	CJBD	
Cc1nc(S[C@H](C)c2ccccc2[N+](=O)[O-])sc1C	742452792	FMWHYAOFHBIHEL-SNVBAGLBSA-N	294.401	4.521	5	20	CJBD	
CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1	414219582	HVJYHEHVCRLORE-PBHICJAKSA-N	298.386	4.705	5	20	CJBD	
C[C@@H](SCCCCCF)c1ccccc1[N+](=O)[O-]	551369350	ZCWIMDOVOZCHOZ-LLVKDONJSA-N	271.357	4.529	5	20	CJBD	
C[C@H](Oc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-]	463044238	QHNFWNLEHREWPM-VIFPVBQESA-N	295.697	4.527	5	20	CJBD	
Cc1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1F	539678627	KPFJTULFFOIJEI-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
CC(C)(C)c1ccccc1NCc1ccc([N+](=O)[O-])cc1	35039707	PLNDOOPHYZSFFU-UHFFFAOYSA-N	284.359	4.504	5	20	CJBD	
Cc1ccccc1-c1csc(-c2cccc([N+](=O)[O-])c2)n1	917628096	BYAWDHQHEZMGRI-UHFFFAOYSA-N	296.351	4.694	5	20	CJBD	
Cc1cc(C)cc([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1	539295315	JYMNEUGHJSFZAC-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
O=[N+]([O-])c1ccccc1CSc1ccccc1Cl	60649951	QITZZOSZWOFHRF-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
Cc1cc(CSc2ccc([N+](=O)[O-])cc2)c(C)s1	516381510	RLLSJOJWRBJPGC-UHFFFAOYSA-N	279.386	4.565	5	20	CJBD	
O=[N+]([O-])c1cc(NCc2ccccc2Cl)ccc1Cl	35047085	PSFWJDMHBZYGLG-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1nc(S[C@@H](C)c2ccccc2[N+](=O)[O-])sc1C	742452791	FMWHYAOFHBIHEL-JTQLQIEISA-N	294.401	4.521	5	20	CJBD	
CC(C)[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	78972157	DMRNYGKLWJUHNR-RDTXWAMCSA-N	298.386	4.643	5	20	CJBD	
O=[N+]([O-])c1sccc1Oc1cc(Cl)ccc1Cl	603600567	YREMDBZYHMZHKN-UHFFFAOYSA-N	290.127	4.755	5	20	CJBD	
c1ccc(-n2ncc3c4[nH]c5ccccc5c4ccc32)cc1	642880849	KWJWTPUMMUHRNX-UHFFFAOYSA-N	283.334	4.660	5	20	CJBD	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1	35014119	AFSIEUYAXUAKSK-LLVKDONJSA-N	282.299	4.514	5	20	CJBD	
Cc1cc(F)ccc1N[C@H](C)c1cccc([N+](=O)[O-])c1C	540821556	LWIGXMONEDEIRX-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
C[C@H](SCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1	62697672	HSIHNCCCVOJHDW-NSHDSACASA-N	291.347	4.728	5	20	CJBD	
c1ccc2c(CNc3ccon3)c3ccccc3cc2c1	766110112	SHLBAXZPHYTKLM-UHFFFAOYSA-N	274.323	4.593	5	20	CJBD	
C[C@@H](SCc1ccccc1[N+](=O)[O-])c1cccc(F)c1	552468779	YCWGISNKYUTXRK-LLVKDONJSA-N	291.347	4.728	5	20	CJBD	
O=[N+]([O-])c1ccccc1CNc1cc(Cl)ccc1Cl	20562567	NALKBDXIIODGED-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
O=[N+]([O-])c1cc(Cl)ccc1CNc1cccc(Cl)c1	50443168	LRUXMWSTXIIPQW-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
C[C@@H](SCc1ccccc1[N+](=O)[O-])c1cccs1	737404750	WCEQCHMGNZLICQ-SNVBAGLBSA-N	279.386	4.651	5	20	CJBD	
CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1	320749375	VUQCWRLOZCXNLA-KBXCAEBGSA-N	298.386	4.705	5	20	CJBD	
C[C@@H](Nc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1	226039068	NTQYKTLSMIJPNX-SECBINFHSA-N	294.713	4.560	5	20	CJBD	
C[C@H](SCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1	604046794	DROHYWXMVMYMRA-NSHDSACASA-N	291.347	4.728	5	20	CJBD	
CCC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	315850129	LMCOYQVJMFUMCK-KDOFPFPSSA-N	298.386	4.787	5	20	CJBD	
CCC[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccc1	34990199	WOXNGOAFHAOQES-CQSZACIVSA-N	270.332	4.548	5	20	CJBD	
Cc1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1F	537485340	AFFIRYKZSNYRLY-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1	193900571	LZFSFJNXXDBADP-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
C[C@H](SCc1cc(F)ccc1[N+](=O)[O-])c1cccs1	737403204	XZFIVEKSKVMDOQ-VIFPVBQESA-N	297.376	4.790	5	20	CJBD	
CC(C)c1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1	783316530	OTYVTPFKKRPUIN-CQSZACIVSA-N	298.386	4.569	5	20	CJBD	
O=[N+]([O-])c1ccc(Cl)cc1CNc1ccc(Cl)cc1	93632486	VZEUGFFUXPHGRN-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
C/C(=C\c1csc([N+](=O)[O-])c1)c1ccc2ccccc2n1	1321169087	HFPDISMWVHHXHX-DHZHZOJOSA-N	296.351	4.765	5	20	CJBD	
FC1(F)CC(NCc2c3ccccc3cc3ccccc23)C1	758599817	UXTDMWGJYTZQRU-UHFFFAOYSA-N	297.348	4.880	5	20	CJBD	
C[C@@H](Nc1ccccc1[N+](=O)[O-])c1csc2ccccc12	729986651	PPQWIIFFUXCXGO-LLVKDONJSA-N	298.367	4.983	5	20	CJBD	
O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2Cl)c1	230572281	HHFZVDMJROYYKX-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
O=[N+]([O-])c1ccccc1CNc1ccc(Cl)cc1Cl	19999878	DPRBGCSZYAXFPA-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1	320749380	VUQCWRLOZCXNLA-RDTXWAMCSA-N	298.386	4.705	5	20	CJBD	
Cc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	8297472	JTIAAQHWKLGHNG-UHFFFAOYSA-N	296.351	4.694	5	20	CJBD	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1ccoc1C	479106806	VEEIFBIXUSTRGT-LLVKDONJSA-N	277.345	4.658	5	20	CJBD	
O=[N+]([O-])c1ccccc1NCc1ccc(Cl)cc1Cl	34979472	YNBCHWRYXUJKSM-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
CCC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1	318317921	RUZZAQVECRMWKW-QGZVFWFLSA-N	298.386	4.534	5	20	CJBD	
Cc1c(CNc2ccc(C3CCC3)cc2)cccc1[N+](=O)[O-]	864027107	SILKJHZCOPWKJI-UHFFFAOYSA-N	296.370	4.783	5	20	CJBD	
O=[N+]([O-])c1cccc(CNc2ccc(Cl)c(Cl)c2)c1	381401	CLAIHASCUIROOE-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
CC(C)c1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1	387421635	GHTKZWKSZYGYMV-CQSZACIVSA-N	298.386	4.569	5	20	CJBD	
Cc1cc(C)cc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1	539295313	JYMNEUGHJSFZAC-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
CC[C@@H](c1ccccc1)N(CC)Cc1ccccc1[N+](=O)[O-]	519909464	YSTQAMBLIJBBCH-KRWDZBQOSA-N	298.386	4.568	5	20	CJBD	
C[C@H](Sc1sccc1[N+](=O)[O-])c1cccs1	775674442	BBFCGGGDWWAILD-ZETCQYMHSA-N	271.388	4.571	5	20	CJBD	
O=[N+]([O-])c1ccc(CNc2cc(Cl)cc(Cl)c2)cc1	21012092	UUMPQTYWHXSCCF-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1cc(COc2cc(Cl)ccc2[N+](=O)[O-])c(C)s1	920992479	XRSSXXLSBMRZLR-UHFFFAOYSA-N	297.763	4.506	5	20	CJBD	
Cc1ccccc1Sc1ccc2ncccc2c1[N+](=O)[O-]	480345623	FEWAQNOYDRUDAB-UHFFFAOYSA-N	296.351	4.603	5	20	CJBD	
C[C@@H](SCc1ccc(F)cc1)c1ccccc1[N+](=O)[O-]	437279998	ZWCPGAUBZHSTKX-LLVKDONJSA-N	291.347	4.728	5	20	CJBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1	498109891	JGQHATGCOZQUAE-SECBINFHSA-N	295.310	4.726	5	20	CJBD	
Cc1c([C@@H](C)Nc2ccccc2[N+](=O)[O-])oc2ccccc12	386086438	MLIVUKVZMYSJBK-GFCCVEGCSA-N	296.326	4.823	5	20	CJBD	
O=[N+]([O-])c1ccsc1Oc1cncc(-c2ccccc2)c1	589601389	FQFLFPAKDRAHKQ-UHFFFAOYSA-N	298.323	4.511	5	20	CJBD	
C[C@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F	37061053	RZTUDTZDXQKOAL-VIFPVBQESA-N	294.713	4.560	5	20	CJBD	
C[C@H](SCc1ccccc1[N+](=O)[O-])c1cccc(F)c1	552468781	YCWGISNKYUTXRK-NSHDSACASA-N	291.347	4.728	5	20	CJBD	
CSc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])s2)cc1	619588694	BNZLAIOUSBEKLO-VIFPVBQESA-N	294.401	4.551	5	20	CJBD	
O=[N+]([O-])c1ccc(CNc2cc(Cl)ccc2Cl)cc1	21819929	UCKUNUSWEMCIQY-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1ccccc1[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1	303015405	YDJIVBFKLCVWPT-SFHVURJKSA-N	296.370	4.553	5	20	CJBD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1	314678194	KCMDKFLOOJAYFL-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)s1	36971119	JOWSKGPCNLSDJG-VIFPVBQESA-N	296.779	4.791	5	20	CJBD	
C[C@@H](SCc1cc(F)ccc1[N+](=O)[O-])c1cccs1	737403203	XZFIVEKSKVMDOQ-SECBINFHSA-N	297.376	4.790	5	20	CJBD	
Cc1cc(N[C@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-]	314611939	IXVRNECFRSETLH-GFCCVEGCSA-N	296.326	4.823	5	20	CJBD	
CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1	320749379	VUQCWRLOZCXNLA-KSSFIOAISA-N	298.386	4.705	5	20	CJBD	
CC(C)c1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1	20526002	URGLEVJJWPSTKQ-CYBMUJFWSA-N	284.359	4.891	5	20	CJBD	
Cc1ccccc1SCc1cccc([N+](=O)[O-])c1C	60430740	ULHHVOXZDRLKMD-UHFFFAOYSA-N	273.357	4.504	5	20	CJBD	
Cc1ccccc1CSc1ccc([N+](=O)[O-])c(C)c1	603837232	NEHPHMYOQDPAJW-UHFFFAOYSA-N	273.357	4.504	5	20	CJBD	
CSc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])s2)cc1	619590018	BNZLAIOUSBEKLO-SECBINFHSA-N	294.401	4.551	5	20	CJBD	
Cc1cc([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])c(C)s1	35252127	JFZMYEKHUYRAKS-SECBINFHSA-N	294.351	4.585	5	20	CJBD	
CC(C)(C)c1ccccc1NCc1ccccc1[N+](=O)[O-]	35039746	VYXNVHKUKWKHMB-UHFFFAOYSA-N	284.359	4.504	5	20	CJBD	
O=C(Nc1ccccc1)c1cc2ccccc2c2cccnc12	46898335	YKDSJMBAIJRGBG-UHFFFAOYSA-N	298.345	4.640	5	20	CJBD	
C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1	609237537	CCRXLYKSRVECOV-LLVKDONJSA-N	291.347	4.728	5	20	CJBD	
Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-]	546228256	JJIYGPYQHVTSDR-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
FC(F)(F)CNCc1c2ccccc2cc2ccccc12	920957005	QYGWRCOFXGEFFF-UHFFFAOYSA-N	289.300	4.645	5	20	CJBD	
Cc1cc(COc2ccc(Cl)cc2[N+](=O)[O-])c(C)s1	518723123	CSIHTGMMQQKPKD-UHFFFAOYSA-N	297.763	4.506	5	20	CJBD	
O=[N+]([O-])c1ccc(CSCc2ccc(Cl)s2)cc1	818328891	YEYSEPVSELAGFF-UHFFFAOYSA-N	299.804	4.743	5	20	CJBD	
CC[C@@H](c1ccccc1)N(CC)Cc1ccc([N+](=O)[O-])cc1	479577613	JGBJHYLPRXGSLD-SFHVURJKSA-N	298.386	4.568	5	20	CJBD	
O=[N+]([O-])c1sccc1SCc1ccc(Cl)cc1	144284959	HDRGXVMAMBURTH-UHFFFAOYSA-N	285.777	4.602	5	20	CJBD	
Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	7844514	KTLFYRXBPGSSKX-UHFFFAOYSA-N	296.351	4.694	5	20	CJBD	
Cc1c(CS[C@H](C)c2cccs2)cccc1[N+](=O)[O-]	737404629	ACIMWOKFWWZEKP-LLVKDONJSA-N	293.413	4.959	5	20	CJBD	
CC[C@H](N[C@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	195656561	OKUQILKZWHFWNK-KDOFPFPSSA-N	298.386	4.705	5	20	CJBD	
C[C@@H](Sc1ccccc1F)c1ccccc1[N+](=O)[O-]	463036787	LFFMCIJXNUOOAX-SNVBAGLBSA-N	277.320	4.587	5	20	CJBD	
CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1	315361844	AZSLWIHVZGPOPG-WMLDXEAASA-N	298.386	4.705	5	20	CJBD	
Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	544896483	FLESWECJLIMZKD-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
Cc1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c(F)c1	539647515	COPRNIRNVWDAQJ-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
Cc1ccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl	37176813	BVXMHNCYEJLDKV-NSHDSACASA-N	290.750	4.730	5	20	CJBD	
C[C@H](SCc1ccc([N+](=O)[O-])cc1F)c1cccs1	747810826	YZFUUXLBFBTSLV-VIFPVBQESA-N	297.376	4.790	5	20	CJBD	
C[C@H](SCc1c(F)cccc1[N+](=O)[O-])c1cccs1	737402921	QOHTVGXRDASOPO-VIFPVBQESA-N	297.376	4.790	5	20	CJBD	
O=[N+]([O-])c1cccc(CNc2cc(Cl)cc(Cl)c2)c1	19985992	UHQLSUCCCLLLIN-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1cccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)c1C	609671036	HANXTTYDMJBNGL-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
Cc1ccc([C@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])s1	36971559	HZIXVSVUMFUKFR-VIFPVBQESA-N	296.779	4.791	5	20	CJBD	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1	539295309	JYMNEUGHJSFZAC-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
O=[N+]([O-])c1ccc(F)cc1CSc1cccc(Cl)c1	726121182	XOPNUVCLFLIFTC-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
C[C@H](SCCCOC(C)(C)C)c1ccccc1[N+](=O)[O-]	610703819	UYGSFGHKENXLAX-LBPRGKRZSA-N	297.420	4.594	5	20	CJBD	
C[C@H](CS/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1	789981988	GFKBUVJBMWZPRK-BZYZDCJZSA-N	289.356	4.695	5	20	CJBD	
O=[N+]([O-])c1ccc(F)cc1CSc1ccc(Cl)cc1	915790536	PFYRCUOOZQYXIR-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
CCC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	315850130	LMCOYQVJMFUMCK-KSSFIOAISA-N	298.386	4.787	5	20	CJBD	
Cc1c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12	315476251	KMFBMYSPUGKULH-GFCCVEGCSA-N	296.326	4.823	5	20	CJBD	
Cc1cccc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	178684552	CFXISULXTIIKQI-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
O=[N+]([O-])c1cc(CNc2ccc(C3CCC3)cc2)cs1	487155772	MGLQSQAHDIEENI-UHFFFAOYSA-N	288.372	4.536	5	20	CJBD	
Cc1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1F	539610562	CFOVOXRBYQRBKU-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
Cc1ccsc1/C=C/c1ccc2c([N+](=O)[O-])cccc2n1	8321796	LUXXNSWBAZNYNG-SOFGYWHQSA-N	296.351	4.683	5	20	CJBD	
O=C(Oc1ccccc1)c1cc2ccccc2c2cccnc12	915799672	IQQFBJLGUNOBJW-UHFFFAOYSA-N	299.329	4.607	5	20	CJBD	
Cc1cccc([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1C	540388305	LUDLXKCMLRMEPY-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
Cc1cc(COc2ccc([N+](=O)[O-])cc2Cl)c(C)s1	516372197	WJORZTDXNWOPHH-UHFFFAOYSA-N	297.763	4.506	5	20	CJBD	
C/C=C/c1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1	554085644	FVOGNJIFNKKCTG-VUUYWXRKSA-N	282.343	4.801	5	20	CJBD	
C[C@@H](Sc1sccc1[N+](=O)[O-])c1cccs1	775674441	BBFCGGGDWWAILD-SSDOTTSWSA-N	271.388	4.571	5	20	CJBD	
Cc1ccccc1[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	120369684	IFBCTIHXOWSPMW-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1	519873348	KJPVVJNCOBZDCQ-VIFPVBQESA-N	295.310	4.726	5	20	CJBD	
O=[N+]([O-])c1ccc(CSc2cccc(Cl)c2)cc1	72076723	HFCDRSPHDDKJAR-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
CCC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	315785696	XLFVSMXVOBMYME-KSSFIOAISA-N	298.386	4.787	5	20	CJBD	
CCC[C@H](NCc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	386222910	OUUCZMQDJPQDDZ-SFHVURJKSA-N	298.386	4.534	5	20	CJBD	
Cc1cccc([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1C	178656856	DLNKZSKFZHPTAH-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1	165904210	ZILWFFWROUXUMN-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
O=[N+]([O-])c1ccccc1Oc1ccc2ccccc2c1	8147615	FSHUQSQHLICCRQ-UHFFFAOYSA-N	265.268	4.540	5	20	CJBD	
C[C@H](Sc1ccc(F)cc1[N+](=O)[O-])c1cccs1	737423008	MHUYHYMSWZJJFE-QMMMGPOBSA-N	283.349	4.649	5	20	CJBD	
O=C(Nc1cccnc1)c1c2ccccc2cc2ccccc12	1323426447	LBIVBRUHYNOXQI-UHFFFAOYSA-N	298.345	4.640	5	20	CJBD	
CC[C@H](c1ccccc1)N(CC)Cc1cccc([N+](=O)[O-])c1	519909412	WRZKDRGSXIKZNO-GOSISDBHSA-N	298.386	4.568	5	20	CJBD	
Cc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1F	539678629	KPFJTULFFOIJEI-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
C[C@H](SC[C@@H](C)C(F)(F)F)c1cccc([N+](=O)[O-])c1	439029689	SMIPWKJDOCMNKA-BDAKNGLRSA-N	293.310	4.587	5	20	CJBD	
C[C@@H](Sc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-]	463267441	QXQOBSDALIEASC-SECBINFHSA-N	295.310	4.726	5	20	CJBD	
COc1ccccc1[C@H](C)Sc1sccc1[N+](=O)[O-]	611412657	BIMHKFRTTBUMPP-VIFPVBQESA-N	295.385	4.518	5	20	CJBD	
CC(C)(C)c1ccccc1NCc1cccc([N+](=O)[O-])c1	35039734	SKMYCQZUVYUTHO-UHFFFAOYSA-N	284.359	4.504	5	20	CJBD	
Cc1cccc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1C	178656841	DLNKZSKFZHPTAH-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
Cc1c(CNc2cccc(C3CCC3)c2)cccc1[N+](=O)[O-]	864028545	ROTJVSHALZDMBL-UHFFFAOYSA-N	296.370	4.783	5	20	CJBD	
Cc1cnc(Cl)c2c1[nH]c1ccc3cc(O)ccc3c12	58631971	WGZZCINOMPRGRY-UHFFFAOYSA-N	282.730	4.537	5	20	CJBD	in-vitro
O=[N+]([O-])c1cccc(CSCCCCC(F)(F)F)c1	507599817	QUMITGUPMDDKJZ-UHFFFAOYSA-N	293.310	4.561	5	20	CJBD	
O=[N+]([O-])c1ccc(Cl)cc1CSc1ccc(F)cc1	746390829	PIEKXLIKSMRDOB-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
Cc1c(CNc2ccccc2C(C)C)cccc1[N+](=O)[O-]	35648674	CDYAKFLJGGOJSA-UHFFFAOYSA-N	284.359	4.639	5	20	CJBD	
Cc1c(CNc2cccc(C(C)C)c2)cccc1[N+](=O)[O-]	35648856	PGXQTOXWAWTPGO-UHFFFAOYSA-N	284.359	4.639	5	20	CJBD	
CC(C)c1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1	478403280	JBGNFINBYSGDMJ-CQSZACIVSA-N	298.386	4.569	5	20	CJBD	
Cc1ccc(Oc2ccc3ncccc3c2[N+](=O)[O-])cc1C	480347453	KEWCOIRFFAPLPS-UHFFFAOYSA-N	294.310	4.552	5	20	CJBD	
Cc1cc(N[C@H](C)c2ccccc2Cl)ccc1[N+](=O)[O-]	48331299	VHNUTNVEQKCTAL-LLVKDONJSA-N	290.750	4.730	5	20	CJBD	
Cc1c(F)cccc1N[C@H](C)c1cccc([N+](=O)[O-])c1C	539741703	QPAYGBJTTZVAEH-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
C[C@@H](S[C@H](C)c1ccccc1[N+](=O)[O-])c1cccnc1	1117497241	HYIQYSSFCHAUFC-VXGBXAGGSA-N	288.372	4.545	5	20	CJBD	
CCC[C@@H](N[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1	386175151	FEPNJZDKRXLYMM-RDTXWAMCSA-N	298.386	4.787	5	20	CJBD	
Cc1cc(N[C@H](C)c2ccccc2[N+](=O)[O-])ccc1C1CC1	478417152	PTOHKULZINMEBV-CYBMUJFWSA-N	296.370	4.954	5	20	CJBD	
Cc1cc(C)c([N+](=O)[O-])cc1N[C@H](C)c1ccccc1F	159658390	TXRCMNPYWMBOQI-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
O=[N+]([O-])c1cccc(CNc2cc(Cl)ccc2Cl)c1	20017778	KVVXDPFQSRYWIQ-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
O=[N+]([O-])c1ccc(-c2nc(C3CCCCC3)cs2)cc1	603951809	FLYQLGRUPFXGNI-UHFFFAOYSA-N	288.372	4.766	5	20	CJBD	
O=[N+]([O-])c1cc(Cl)ccc1CSc1ccc(F)cc1	609693338	HWLUFXHCOSCSFO-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
Cc1ccc(C)c([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	52712469	QIQOGZPNUAVGAZ-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)SCCOC(C)(C)C	486146323	KADLIYKCYPLPKT-LBPRGKRZSA-N	297.420	4.513	5	20	CJBD	
C[C@@H](SC[C@H](C)C(F)(F)F)c1ccccc1[N+](=O)[O-]	439070158	UWKUOOUGOWAELZ-DTWKUNHWSA-N	293.310	4.587	5	20	CJBD	
O=[N+]([O-])c1ccc(SCc2cccc(Cl)c2)cc1	6331103	RHGHIUIXGTWPKP-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1	414219588	HVJYHEHVCRLORE-YOEHRIQHSA-N	298.386	4.705	5	20	CJBD	
Cc1cccc(SCc2cccc([N+](=O)[O-])c2C)c1	604469208	AHVAHKSYWQXPLA-UHFFFAOYSA-N	273.357	4.504	5	20	CJBD	
O=[N+]([O-])c1ccccc1N[C@@H](c1ccccc1)C1CCC1	511455680	TXDZCPPYEKESFG-KRWDZBQOSA-N	282.343	4.548	5	20	CJBD	
O=[N+]([O-])c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1	21510130	NPNYMPBEKNETCE-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	37177186	IGGXAPGGWWDORD-SECBINFHSA-N	294.713	4.560	5	20	CJBD	
Cc1cccc(C)c1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1	546930722	FEJYNIOZQVNCHD-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
CSc1ccc(CSc2sccc2[N+](=O)[O-])cc1	619503828	QCVZKUGVCWCXJE-UHFFFAOYSA-N	297.426	4.671	5	20	CJBD	
C[C@@H](Oc1ccc(Cl)cc1F)c1ccccc1[N+](=O)[O-]	463044237	QHNFWNLEHREWPM-SECBINFHSA-N	295.697	4.527	5	20	CJBD	
Cc1cc([C@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)o1	36971661	UPGPRWWCRMNFMZ-VIFPVBQESA-N	294.738	4.631	5	20	CJBD	
O=[N+]([O-])c1ccc(-c2csc(C3CCCCC3)n2)cc1	48640415	USHFWJFRIVKLAB-UHFFFAOYSA-N	288.372	4.766	5	20	CJBD	
C[C@@H](Sc1ccccc1[N+](=O)[O-])c1ccc(F)cc1	63282299	ZBEWUPBGNFLNAV-SNVBAGLBSA-N	277.320	4.587	5	20	CJBD	
c1cncc(CNCc2c3ccccc3cc3ccccc23)c1	22770573	XMGFGEDVBBCUFO-UHFFFAOYSA-N	298.389	4.678	5	20	CJBD	
C[C@H](S[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccnc1	1117497240	HYIQYSSFCHAUFC-RYUDHWBXSA-N	288.372	4.545	5	20	CJBD	
C[C@@H](Nc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	314468383	KECAIQWFQWEDBZ-CYBMUJFWSA-N	292.338	4.921	5	20	CJBD	
Cc1cc(C)cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	317745567	OIGBODYUKKTDHV-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
CC(C)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	72879370	ZTYREXHTJRJHNF-KDOFPFPSSA-N	298.386	4.643	5	20	CJBD	
O=[N+]([O-])c1cc(CNc2cccc(Cl)c2)ccc1Cl	149338817	NSCGKKUFAXFVKJ-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1	315580798	QPOMMTNZMHAKBG-RDTXWAMCSA-N	298.386	4.705	5	20	CJBD	
CCC[C@H](CC)SCc1nc2cc([N+](=O)[O-])ccc2o1	477076258	JUOUXXAILFFABN-NSHDSACASA-N	294.376	4.548	5	20	CJBD	
Cc1cc(F)cc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1	538639100	CWJWIDFQFYTICL-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)c(C)s1	48335258	RYSPDKVHHBRUQO-NSHDSACASA-N	290.388	4.755	5	20	CJBD	
O=[N+]([O-])c1sccc1Oc1ccc(Cl)cc1Cl	216095714	IINVMGQLBJHYTP-UHFFFAOYSA-N	290.127	4.755	5	20	CJBD	
CCC(CC)(CC)S/C=C/c1ccc([N+](=O)[O-])o1	789982988	GFCNLRZPMFDQKY-MDZDMXLPSA-N	269.366	4.861	5	20	CJBD	
Cc1ccc(/C=C\c2nc3ccccc3s2)cc1[N+](=O)[O-]	97993148	PJLRRAPZLTZXPA-HJWRWDBZSA-N	296.351	4.683	5	20	CJBD	
C[C@@H](Sc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1	63282293	XRAPMPUGKUENOV-SECBINFHSA-N	295.310	4.726	5	20	CJBD	
C[C@@H](SC1CCCCC1)c1ccccc1[N+](=O)[O-]	463034675	FPUZBHRUYNFCFV-LLVKDONJSA-N	265.378	4.722	5	20	CJBD	
CCC[C@@H](NCc1ccccc1C)c1cccc([N+](=O)[O-])c1	314640070	FDEWQTGPKZTDOU-GOSISDBHSA-N	298.386	4.534	5	20	CJBD	
Cc1ccccc1[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1	303015404	YDJIVBFKLCVWPT-GOSISDBHSA-N	296.370	4.553	5	20	CJBD	
CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1	315751111	HQQYILLVHLKLDT-KBXCAEBGSA-N	298.386	4.705	5	20	CJBD	
Cc1cccc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	178684559	CFXISULXTIIKQI-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
CCC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1	318317920	RUZZAQVECRMWKW-KRWDZBQOSA-N	298.386	4.534	5	20	CJBD	
C[C@H](Nc1ccc(C2CC2)cc1)c1cccc([N+](=O)[O-])c1	611477242	DEJBYZFPKAYHFN-LBPRGKRZSA-N	282.343	4.645	5	20	CJBD	
C[C@H](SCc1ccc([N+](=O)[O-])cc1)c1ccccc1	603775982	MRVQWEOQHYZJGE-LBPRGKRZSA-N	273.357	4.589	5	20	CJBD	
C[C@H](SCc1ccc([N+](=O)[O-])cc1)c1ccccc1F	64376685	CIFIZFUTEDZJQL-NSHDSACASA-N	291.347	4.728	5	20	CJBD	
C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1	47873269	LHIRIPVJQCEMNP-VIFPVBQESA-N	294.713	4.560	5	20	CJBD	
Cc1ccc(-c2csc(C3CCCC3)n2)cc1[N+](=O)[O-]	603950465	FZBLYBBWXQITBG-UHFFFAOYSA-N	288.372	4.684	5	20	CJBD	
Cc1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1Cl	20525932	OTPPMGMWHIACQD-LLVKDONJSA-N	290.750	4.730	5	20	CJBD	
Cc1nc(-c2ccc([N+](=O)[O-])cc2)sc1-c1ccccc1	556027058	XODPBMUBNPTIGM-UHFFFAOYSA-N	296.351	4.694	5	20	CJBD	
O=[N+]([O-])c1ccccc1SCc1ccc(Cl)cc1	164537274	XZZLCDNRHBZSOH-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
Cc1ccc(F)c(N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1	537445587	OXSXHYRVSKOAQS-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
CCC[C@H](N[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1	386175150	FEPNJZDKRXLYMM-KSSFIOAISA-N	298.386	4.787	5	20	CJBD	
C[C@H]1CCCN1C(=O)c1c2ccccc2cc2ccccc12	1252686658	ZKDQBHILKOYMEC-AWEZNQCLSA-N	289.378	4.618	5	20	CJBD	
CC[C@H](c1ccccc1)N(CC)Cc1ccc([N+](=O)[O-])cc1	479577612	JGBJHYLPRXGSLD-GOSISDBHSA-N	298.386	4.568	5	20	CJBD	
Cc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	8297471	MRUSBOLLOSHIIY-UHFFFAOYSA-N	296.351	4.694	5	20	CJBD	
CC[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1ccccc1	303096915	FYJNPSNNXWANSQ-OAHLLOKOSA-N	273.357	4.838	5	20	CJBD	
O=[N+]([O-])c1ccc(-c2nc3cccc(Cl)c3s2)cc1	513856704	AGTAKGOQXHPGAF-UHFFFAOYSA-N	290.731	4.525	5	20	CJBD	
C/C(=C/c1csc([N+](=O)[O-])c1)c1ccc2ccccc2n1	1321169089	HFPDISMWVHHXHX-FLIBITNWSA-N	296.351	4.765	5	20	CJBD	
CC(C)(C)C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1	525642093	GJZXZAFHBPILTB-OAHLLOKOSA-N	299.374	4.579	5	20	CJBD	
O=[N+]([O-])c1ccccc1CSc1ccc(F)c(Cl)c1	612391644	HOCJXIKWFSMPQM-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1ccccc1F	516381190	BAFKHVIKYDHSTB-JTQLQIEISA-N	277.320	4.587	5	20	CJBD	
CC(C)c1nnc(-c2cc3ccccc3c3cccnc23)o1	1118065485	PYDIRGXDWKDXQR-UHFFFAOYSA-N	289.338	4.561	5	20	CJBD	
C[C@H](SCc1cccc([N+](=O)[O-])c1)c1ccccc1F	507816289	VEEBNVNFBJFEIO-NSHDSACASA-N	291.347	4.728	5	20	CJBD	
O=[N+]([O-])c1ccccc1CNc1cccc(Cl)c1Cl	21818828	ZPKSDBKYOGOCGR-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
C[C@@H](Nc1ccc(C2CC2)cc1)c1ccccc1[N+](=O)[O-]	611304368	ATSOWNNLJGDTOK-GFCCVEGCSA-N	282.343	4.645	5	20	CJBD	
CC[C@@H](c1ccccc1)N(CC)Cc1cccc([N+](=O)[O-])c1	519909413	WRZKDRGSXIKZNO-SFHVURJKSA-N	298.386	4.568	5	20	CJBD	
Cc1ccc(/C=C/c2ccc3ccccc3n2)cc1[N+](=O)[O-]	16404865	HHECRDIMFAFHBK-CSKARUKUSA-N	290.322	4.622	5	20	CJBD	
O=[N+]([O-])c1cnc(Oc2ccc(-c3ccccc3)cc2)s1	443409817	OXIRTXNGHMRLJE-UHFFFAOYSA-N	298.323	4.511	5	20	CJBD	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1ccoc1C	479106808	VEEIFBIXUSTRGT-NSHDSACASA-N	277.345	4.658	5	20	CJBD	
C/C=C\c1ccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1	582852811	WLSWXMFOGVPNRJ-DHCBQETCSA-N	282.343	4.801	5	20	CJBD	
CC[C@@H](N[C@@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	195656556	OKUQILKZWHFWNK-KBXCAEBGSA-N	298.386	4.705	5	20	CJBD	
Cc1ccc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1	165903858	VIYDESKMNIJTSP-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1	315580793	QPOMMTNZMHAKBG-KDOFPFPSSA-N	298.386	4.705	5	20	CJBD	
Cc1cccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C	173420334	AIRPZMBPKILPAO-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1csc2ccccc12	729987450	ZZHYQHMJZLLGFW-LLVKDONJSA-N	298.367	4.983	5	20	CJBD	
O=[N+]([O-])c1ccc(Cl)c(CSc2ccccc2)c1	36964971	ZAPYQFLUXGTMBD-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
Cc1ccc(/C=C\c2ccc3cccc([N+](=O)[O-])c3n2)s1	96792272	FHTHDMTUMHJWSU-NTMALXAHSA-N	296.351	4.683	5	20	CJBD	
Brc1ccc2[nH]c3cnc4ccccc4c3c2c1	1988182140	IOSISHRQVBDORS-UHFFFAOYSA-N	297.155	4.632	5	20	CJBD	
C[C@H](Nc1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-]	37070062	HCMHCUGCUMTTES-VIFPVBQESA-N	294.713	4.560	5	20	CJBD	
Cc1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cc1C	69294940	KLHYSHZYGNJNRM-UHFFFAOYSA-N	294.310	4.552	5	20	CJBD	
Cc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	120369402	IFBCTIHXOWSPMW-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
CCC[C@H](N[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1	386175147	FEPNJZDKRXLYMM-KDOFPFPSSA-N	298.386	4.787	5	20	CJBD	
O=[N+]([O-])c1ccc(/C=C/Sc2ccccc2Cl)o1	918996284	INXYQJHUQWXEEG-BQYQJAHWSA-N	281.720	4.604	5	20	CJBD	
O=[N+]([O-])c1ccccc1CSC/C=C/c1ccccc1	58690969	PARMPGQRKSYITB-RMKNXTFCSA-N	285.368	4.541	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1	165903979	ZILWFFWROUXUMN-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
CC(C)(C)C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1	525642092	GJZXZAFHBPILTB-HNNXBMFYSA-N	299.374	4.579	5	20	CJBD	
O=[N+]([O-])c1ccc(/C=C\Sc2ccccc2Cl)o1	918996296	INXYQJHUQWXEEG-FPLPWBNLSA-N	281.720	4.604	5	20	CJBD	
CCC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	315785692	XLFVSMXVOBMYME-KBXCAEBGSA-N	298.386	4.787	5	20	CJBD	
C[C@H](S[C@H](C)c1ccccc1[N+](=O)[O-])c1cccnc1	1117497238	HYIQYSSFCHAUFC-NWDGAFQWSA-N	288.372	4.545	5	20	CJBD	
O=[N+]([O-])c1ccc(Cl)c(CSc2ccccc2F)c1	37404370	ASSPQSBGCPXZFP-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
Cc1ccccc1Sc1ccc([N+](=O)[O-])c2cnccc12	108721428	XYBWBUIPAVSZFT-UHFFFAOYSA-N	296.351	4.603	5	20	CJBD	
C[C@H](Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1	26759447	RDLKHVGPIUIRAO-NSHDSACASA-N	282.299	4.514	5	20	CJBD	
O=[N+]([O-])c1ccc(/C=C\SCCCc2ccccc2)o1	789919811	GXWKYJDRXFGUBZ-BENRWUELSA-N	289.356	4.525	5	20	CJBD	
O=[N+]([O-])c1cccc(CSCc2ccc(Cl)s2)c1	818327140	AQCBLIJMOLYEPL-UHFFFAOYSA-N	299.804	4.743	5	20	CJBD	
CC[C@H](Sc1ccc([N+](=O)[O-])cc1)c1ccccc1	303096914	FYJNPSNNXWANSQ-HNNXBMFYSA-N	273.357	4.838	5	20	CJBD	
Cc1cc(C)cc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1	317745569	OIGBODYUKKTDHV-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F	195541865	OJKRJNOLXQXISB-VIFPVBQESA-N	295.310	4.726	5	20	CJBD	
C[C@@H](CS/C=C\c1ccc([N+](=O)[O-])o1)c1ccccc1	789981989	GFKBUVJBMWZPRK-PRDAAYKISA-N	289.356	4.695	5	20	CJBD	
Cc1ccc2nc(/C=C/c3csc([N+](=O)[O-])c3)ccc2c1	510314913	XKWHWTXALLBFFA-HWKANZROSA-N	296.351	4.683	5	20	CJBD	
CCCC[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1	315155596	UESDPFCVGHFOFS-QGZVFWFLSA-N	298.386	4.616	5	20	CJBD	
C[C@H](SCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1	609237538	CCRXLYKSRVECOV-NSHDSACASA-N	291.347	4.728	5	20	CJBD	
Cc1cccc(C)c1[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-]	546228255	JJIYGPYQHVTSDR-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
CC(C)(C)C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1	525128772	FBVHRLIKIOVJGZ-AWEZNQCLSA-N	299.374	4.579	5	20	CJBD	
Cc1nc(-c2cccc([N+](=O)[O-])c2)sc1-c1ccccc1	550963087	VROBDXSCLYPUBP-UHFFFAOYSA-N	296.351	4.694	5	20	CJBD	
Cc1cc([C@H](C)Nc2cccc(F)c2[N+](=O)[O-])c(C)s1	48805638	JBRMVNDIVFGYQX-VIFPVBQESA-N	294.351	4.585	5	20	CJBD	
Cc1cc2cc(N[C@@H](C)c3ccccc3[N+](=O)[O-])ccc2[nH]1	439604632	RVYQKSBDXSSULT-LBPRGKRZSA-N	295.342	4.558	5	20	CJBD	
Cc1ccc([N+](=O)[O-])c(C)c1N[C@H](C)c1ccccc1F	600847507	DWKOMBHCRSODLJ-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
O=[N+]([O-])c1ccc(Cl)cc1CSc1cccs1	746389316	NIXSFMNYWBNNEZ-UHFFFAOYSA-N	285.777	4.602	5	20	CJBD	
O=[N+]([O-])c1c(SC2CCCCC2)ccc2ncccc12	462921209	DASOEXUBSQNDJN-UHFFFAOYSA-N	288.372	4.568	5	20	CJBD	
Cc1cnc(Oc2cc(C(C)C)ccc2C)c([N+](=O)[O-])c1	463049852	WLSKZBIBRBEQEK-UHFFFAOYSA-N	286.331	4.522	5	20	CJBD	
C[C@H](Nc1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1	226039076	NTQYKTLSMIJPNX-VIFPVBQESA-N	294.713	4.560	5	20	CJBD	
Cc1cccc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1	178684536	CFXISULXTIIKQI-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C	453249949	WKXFYJFGUNVNAQ-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1	47873292	PPWCGYZMXYXXRX-MRXNPFEDSA-N	288.322	4.543	5	20	CJBD	
CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1	47873291	PPWCGYZMXYXXRX-INIZCTEOSA-N	288.322	4.543	5	20	CJBD	
CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1	315751115	HQQYILLVHLKLDT-KDOFPFPSSA-N	298.386	4.705	5	20	CJBD	
O=[N+]([O-])c1ccc(CNc2cccc(Cl)c2Cl)cc1	21510147	HNMGDWDXVKXBLK-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
C[C@H](Nc1ccsc1[N+](=O)[O-])c1cc2ccccc2o1	49056660	SDYCHHMZIARIBG-VIFPVBQESA-N	288.328	4.576	5	20	CJBD	
Cc1cc(N[C@@H](C)c2cc3ccccc3o2)ccc1[N+](=O)[O-]	314611944	IXVRNECFRSETLH-LBPRGKRZSA-N	296.326	4.823	5	20	CJBD	
CCC[C@H](NCc1cccc(C)c1)c1cccc([N+](=O)[O-])c1	314132891	GIYBEMNLCSDDNZ-SFHVURJKSA-N	298.386	4.534	5	20	CJBD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C	453249937	WKXFYJFGUNVNAQ-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
CCC[C@@H](NCc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	386222907	OUUCZMQDJPQDDZ-GOSISDBHSA-N	298.386	4.534	5	20	CJBD	
Cc1cccc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1C	540388303	LUDLXKCMLRMEPY-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
C[C@H](CS[C@H](C)c1ccccc1[N+](=O)[O-])C(F)(F)F	439070160	UWKUOOUGOWAELZ-RKDXNWHRSA-N	293.310	4.587	5	20	CJBD	
C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12	24153509	JQDJUOKSISXPTH-ZDUSSCGKSA-N	292.338	4.921	5	20	CJBD	
C[C@H](SC[C@H](C)C(F)(F)F)c1cccc([N+](=O)[O-])c1	439029691	SMIPWKJDOCMNKA-IUCAKERBSA-N	293.310	4.587	5	20	CJBD	
C[C@@H](SCc1ccccc1)c1ccccc1[N+](=O)[O-]	463040401	VKLDSCDLRGAREG-GFCCVEGCSA-N	273.357	4.589	5	20	CJBD	
C[C@H](SCc1ccccc1[N+](=O)[O-])c1ccccc1	609235411	YKJXKJIBLLUNAU-LBPRGKRZSA-N	273.357	4.589	5	20	CJBD	
Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	52712468	QIQOGZPNUAVGAZ-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
C[C@H](Nc1cccc2ccsc12)c1ccc([N+](=O)[O-])cc1	395316199	RDLUZLANYADBFJ-NSHDSACASA-N	298.367	4.983	5	20	CJBD	
C/C=C/c1ccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1	582852814	WLSWXMFOGVPNRJ-OOPCZODUSA-N	282.343	4.801	5	20	CJBD	
O=[N+]([O-])c1cc(Cl)ccc1CSc1ccccc1F	609693374	NHEZEWJMZHGACR-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
O=[N+]([O-])c1cccc(CNc2cccc(Cl)c2Cl)c1	21517330	PVOGMCOQXRRZGZ-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
O=[N+]([O-])c1cc(Cl)ccc1CNc1ccc(Cl)cc1	50443171	PQTHOFOGFPFXFJ-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1F	537485339	AFFIRYKZSNYRLY-GFCCVEGCSA-N	288.322	4.524	5	20	CJBD	
O=[N+]([O-])c1ccccc1CNc1cc(Cl)cc(Cl)c1	21018270	NUHVXTNMOSDHGV-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1	165903487	VIYDESKMNIJTSP-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
Cc1c(COc2ccccc2C(C)C)cccc1[N+](=O)[O-]	70285349	KFBOOEHECUUCJU-UHFFFAOYSA-N	285.343	4.606	5	20	CJBD	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12	24153506	JQDJUOKSISXPTH-CYBMUJFWSA-N	292.338	4.921	5	20	CJBD	
Cc1ccc(C)c([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1	78995169	MFOBMRRIDSIYLR-GJZGRUSLSA-N	298.386	4.623	5	20	CJBD	
CC[C@@H](N[C@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	195656560	OKUQILKZWHFWNK-RDTXWAMCSA-N	298.386	4.705	5	20	CJBD	
Cc1cccc(S[C@@H](C)c2ccccc2[N+](=O)[O-])c1	463256131	JOEWKDGSJPLQSP-LBPRGKRZSA-N	273.357	4.757	5	20	CJBD	
C[C@H](Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1	20358647	OJOREQFBXRIBBD-VIFPVBQESA-N	294.713	4.560	5	20	CJBD	
Cc1ccccc1S[C@H](C)c1ccccc1[N+](=O)[O-]	463262245	YUBAQJJQXBCMNB-GFCCVEGCSA-N	273.357	4.757	5	20	CJBD	
Cc1ccc(F)c(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1	537445599	OXSXHYRVSKOAQS-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
Cc1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1F	539610563	CFOVOXRBYQRBKU-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
C[C@H](SCc1ccc(F)cc1)c1ccccc1[N+](=O)[O-]	437280000	ZWCPGAUBZHSTKX-NSHDSACASA-N	291.347	4.728	5	20	CJBD	
O=[N+]([O-])c1ccc(CSc2ccc(F)c(Cl)c2)cc1	514315605	FDQDPNNQPFFPNV-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
Cc1ccc(-c2nc3ccccc3n2C(C)C)cc1[N+](=O)[O-]	603836089	FCYHXUBCEVPFAN-UHFFFAOYSA-N	295.342	4.501	5	20	CJBD	
C/C=C\c1ccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1	582852815	WLSWXMFOGVPNRJ-SCOBNMCVSA-N	282.343	4.801	5	20	CJBD	
O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2Cl)cc1	37061483	BLFHWXXNAMNYLH-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
Cc1cccc(Sc2ccc([N+](=O)[O-])c3cnccc23)c1	195718666	UDOVCDBPEGAKKT-UHFFFAOYSA-N	296.351	4.603	5	20	CJBD	
CC(C)[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1	78972185	MZECCGXLGBTQAL-KDOFPFPSSA-N	298.386	4.643	5	20	CJBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1	604071326	BPVPURGHJVXLDU-JTQLQIEISA-N	277.320	4.587	5	20	CJBD	
O=[N+]([O-])c1cccc(CSc2ccccc2Cl)c1	60650091	IXCJDPIZEAFXSX-UHFFFAOYSA-N	279.748	4.541	5	20	CJBD	
Cc1cccc(C)c1[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1	544896480	FLESWECJLIMZKD-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1	63282284	KJPVVJNCOBZDCQ-SECBINFHSA-N	295.310	4.726	5	20	CJBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1F)c1ccccc1F	64550925	MYRKSEHCXRTPAJ-VIFPVBQESA-N	295.310	4.726	5	20	CJBD	
C[C@@H](Nc1cccc2ccsc12)c1ccc([N+](=O)[O-])cc1	395316196	RDLUZLANYADBFJ-LLVKDONJSA-N	298.367	4.983	5	20	CJBD	
Cc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1C	538510502	PPUFSJZJAAHOGL-AWEZNQCLSA-N	284.359	4.693	5	20	CJBD	
C[C@H](SCc1ccccc1[N+](=O)[O-])c1cccs1	737404747	WCEQCHMGNZLICQ-JTQLQIEISA-N	279.386	4.651	5	20	CJBD	
CC(C)(C)c1ccc(NCc2ccccc2[N+](=O)[O-])cc1	20545443	NUPZQBOIDPHACK-UHFFFAOYSA-N	284.359	4.504	5	20	CJBD	
O=[N+]([O-])c1cccc(SCc2ccc(C(F)F)cc2)c1	509707785	JXTMROJVNKSCFM-UHFFFAOYSA-N	295.310	4.825	5	20	CJBD	
Cc1ccc([N+](=O)[O-])c(C)c1N[C@@H](C)c1ccccc1F	600847515	DWKOMBHCRSODLJ-LBPRGKRZSA-N	288.322	4.524	5	20	CJBD	
Cc1ccc(/C=C\c2ccc3ccccc3n2)cc1[N+](=O)[O-]	208012478	HHECRDIMFAFHBK-NTMALXAHSA-N	290.322	4.622	5	20	CJBD	
Cc1ccc(C)c([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1	78995163	MFOBMRRIDSIYLR-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
Cc1ccc(S[C@@H](C)c2ccccc2[N+](=O)[O-])cc1	463035837	PTBUKFHKDMEQHX-LBPRGKRZSA-N	273.357	4.757	5	20	CJBD	
O=[N+]([O-])c1cccc(-c2nc3cccc(Cl)c3s2)c1	513856752	AXNKOVYGTUDMGA-UHFFFAOYSA-N	290.731	4.525	5	20	CJBD	
C[C@@H](Nc1sccc1[N+](=O)[O-])c1cc2ccccc2o1	301940873	VBRPQOJXIHHULO-SECBINFHSA-N	288.328	4.576	5	20	CJBD	
CCC(CC)(CC)S/C=C\c1ccc([N+](=O)[O-])o1	789982987	GFCNLRZPMFDQKY-KTKRTIGZSA-N	269.366	4.861	5	20	CJBD	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	71996550	MYHUOLZAQADSFX-JTQLQIEISA-N	277.320	4.587	5	20	CJBD	
O=[N+]([O-])c1ccc(/C=C/Sc2ccc(Cl)cc2)o1	821776353	VCNANXVLIMGOTP-BQYQJAHWSA-N	281.720	4.604	5	20	CJBD	
COCCCCCS[C@H](C)c1cc([N+](=O)[O-])ccc1C	486103509	NMFRMJGNOUUFCQ-CYBMUJFWSA-N	297.420	4.514	5	20	CJBD	
O=[N+]([O-])c1cccc(F)c1CSc1ccccc1Cl	504524250	NNBASPQSTOECAR-UHFFFAOYSA-N	297.738	4.680	5	20	CJBD	
Cc1ccccc1[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	120369892	IFBCTIHXOWSPMW-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
Cc1c([C@H](C)Nc2ccccc2[N+](=O)[O-])oc2ccccc12	386086439	MLIVUKVZMYSJBK-LBPRGKRZSA-N	296.326	4.823	5	20	CJBD	
Cc1csc(S[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1	778549646	AGNMDMDSYMSUSF-SNVBAGLBSA-N	294.401	4.521	5	20	CJBD	
O=[N+]([O-])c1ccc(/C=C\Sc2ccc(Cl)cc2)o1	821776365	VCNANXVLIMGOTP-FPLPWBNLSA-N	281.720	4.604	5	20	CJBD	
C[C@H](Sc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-]	463267442	QXQOBSDALIEASC-VIFPVBQESA-N	295.310	4.726	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1	314678198	KCMDKFLOOJAYFL-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1cccs1	774534106	HYJUMCLFLDTIBP-SECBINFHSA-N	265.359	4.510	5	20	CJBD	
C[C@H](Nc1ccc([N+](=O)[O-])s1)c1cc2ccccc2o1	48999527	CNMVHFXPJZANKJ-VIFPVBQESA-N	288.328	4.576	5	20	CJBD	
CC(C)(C)c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1	21009001	GPSQLBUDJVZJAK-UHFFFAOYSA-N	284.359	4.504	5	20	CJBD	
O=[N+]([O-])c1ccc(CSCCCCC(F)(F)F)cc1	507637521	XUFNDSTXOCFPKD-UHFFFAOYSA-N	293.310	4.561	5	20	CJBD	
C[C@@H](SCc1cccc([N+](=O)[O-])c1)c1ccccc1	216096694	MUTRZLLVIMQOGJ-GFCCVEGCSA-N	273.357	4.589	5	20	CJBD	
O=[N+]([O-])c1cc(Cl)ccc1CNc1ccccc1Cl	50443187	LHBJCMLNLRBLCN-UHFFFAOYSA-N	297.141	4.514	5	20	CJBD	
CCCc1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1	20526205	ROOLRHDDTPHYAI-CYBMUJFWSA-N	284.359	4.720	5	20	CJBD	
Cc1cc2cc(N[C@H](C)c3ccccc3[N+](=O)[O-])ccc2[nH]1	439604631	RVYQKSBDXSSULT-GFCCVEGCSA-N	295.342	4.558	5	20	CJBD	
CSc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])s1	619699016	MHSXNLRHXPUHOW-SECBINFHSA-N	294.401	4.551	5	20	CJBD	
CCC[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	34990202	HXYYIPZBVYLQAV-MRXNPFEDSA-N	270.332	4.548	5	20	CJBD	
C[C@@H](Sc1ccc(F)cc1)c1ccccc1[N+](=O)[O-]	463040438	VXODTDRCVMXAET-SNVBAGLBSA-N	277.320	4.587	5	20	CJBD	
c1coc(CNCc2c3ccccc3cc3ccccc23)c1	15566050	STDHGKCCKLXZBE-UHFFFAOYSA-N	287.362	4.876	5	20	CJBD	
C[C@@H](Nc1ccc([N+](=O)[O-])s1)c1cc2ccccc2o1	48999529	CNMVHFXPJZANKJ-SECBINFHSA-N	288.328	4.576	5	20	CJBD	
Cc1cc(C)cc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1	531974722	SJVYYVIYNYLOJZ-LSDHHAIUSA-N	298.386	4.623	5	20	CJBD	
C[C@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])cc1Cl	796473815	MQLLBVTVMBJCDT-SECBINFHSA-N	296.779	4.507	5	20	CJBD	
CCC[C@@H](NCc1cccc(C)c1)c1cccc([N+](=O)[O-])c1	314132889	GIYBEMNLCSDDNZ-GOSISDBHSA-N	298.386	4.534	5	20	CJBD	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F	604067450	ITZDQPMWUXNRBJ-SECBINFHSA-N	295.310	4.726	5	20	CJBD	
C[C@@H](Nc1ccc(C2CC2)cc1)c1ccc([N+](=O)[O-])cc1	611304409	HZXVZTJTCBRJMW-GFCCVEGCSA-N	282.343	4.645	5	20	CJBD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C	193901130	OWRKNNLQPFPEOL-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
Cc1cccc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1C	540388304	LUDLXKCMLRMEPY-HUUCEWRRSA-N	298.386	4.623	5	20	CJBD	
Cc1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1Cl	20525933	OTPPMGMWHIACQD-NSHDSACASA-N	290.750	4.730	5	20	CJBD	
CC(C)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1	387421625	GHTKZWKSZYGYMV-AWEZNQCLSA-N	298.386	4.569	5	20	CJBD	
Cc1cccc([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1C	540388301	LUDLXKCMLRMEPY-CABCVRRESA-N	298.386	4.623	5	20	CJBD	
C[C@@H](Sc1ccccc1[N+](=O)[O-])c1cccs1	737423872	YRSGSMZUYNCJCC-SECBINFHSA-N	265.359	4.510	5	20	CJBD	
CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1	315751119	HQQYILLVHLKLDT-KSSFIOAISA-N	298.386	4.705	5	20	CJBD	
Cc1cccc(Sc2ccc3ncccc3c2[N+](=O)[O-])c1	480457550	BPYZWQUFGVSPOC-UHFFFAOYSA-N	296.351	4.603	5	20	CJBD	
O=[N+]([O-])c1cccc(-c2nc3cc(Cl)ccc3s2)c1	98177981	OSFIQYPJIDVQFK-UHFFFAOYSA-N	290.731	4.525	5	20	CJBD	
CCC[C@@H](N[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1	386175146	FEPNJZDKRXLYMM-KBXCAEBGSA-N	298.386	4.787	5	20	CJBD	
Cc1ccc2nc(/C=C\c3csc([N+](=O)[O-])c3)ccc2c1	510314914	XKWHWTXALLBFFA-HYXAFXHYSA-N	296.351	4.683	5	20	CJBD	
CC(C)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	72879368	ZTYREXHTJRJHNF-KSSFIOAISA-N	298.386	4.643	5	20	CJBD