smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1cc2ccccc2o1	442885869	MNVMNYXUEGKQNC-ZIAGYGMSSA-N	324.380	5.061	5	20	DKBD	
O=[N+]([O-])c1cc(/C=C/c2nc3cc(Cl)ccc3s2)cs1	48579068	FLSGVLKEZGQLTR-DAFODLJHSA-N	322.798	5.090	5	20	DKBD	
CC[C@@H](N[C@H](C)c1cc(C)sc1C)c1cccc([N+](=O)[O-])c1	195614607	FQSWMEAPFBGCJS-SJKOYZFVSA-N	318.442	5.075	5	20	DKBD	
Cc1ccc([C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1	532199616	HIUPYLYFVLUXGV-MGPUTAFESA-N	324.424	5.014	5	20	DKBD	
Cc1c([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])oc2ccccc12	477868160	VILHCPGZTSMQBO-KGLIPLIRSA-N	324.380	5.061	5	20	DKBD	
COc1ccccc1[C@H](C)S[C@@H](C)c1ccccc1[N+](=O)[O-]	463215292	UDAKQKYEQBVELH-STQMWFEESA-N	317.410	5.159	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CC1CC1)c1ccccc1	611474124	HZTSUIZYUKQVGF-YWZLYKJASA-N	324.424	5.095	5	20	DKBD	
CC[C@H](N[C@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1	195548101	NIFDYLCQNIDJEU-PXAZEXFGSA-N	318.804	5.050	5	20	DKBD	
Oc1ccccc1SCc1nc2ccccc2c2ccccc12	523377362	NHLMDVMQOGUEMJ-UHFFFAOYSA-N	317.413	5.386	5	20	DKBD	
Clc1c2ccccc2c(CNCc2ccoc2)c2ccccc12	916845697	DICWRBLXOHQSTQ-UHFFFAOYSA-N	321.807	5.529	5	20	DKBD	
Cc1ccccc1[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1	492878157	REOHFOWAVQHBKP-QRWLVFNGSA-N	324.424	5.014	5	20	DKBD	
CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1	390170612	ACKLIXRAVCBWQE-YJBOKZPZSA-N	312.413	5.014	5	20	DKBD	
CC[C@H](N[C@H](c1ccccc1)C(C)C)c1cccc([N+](=O)[O-])c1	319822089	LWOPNDBAOHEAGV-OALUTQOASA-N	312.413	5.033	5	20	DKBD	
CC(C)C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	320134752	VAWRXQMQHIDBPX-DNVCBOLYSA-N	312.413	5.033	5	20	DKBD	
C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1csc2ccccc12	729986386	MOOHSBWNEIVOEJ-JTQLQIEISA-N	316.357	5.122	5	20	DKBD	
Cc1ccc([C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1	532199615	HIUPYLYFVLUXGV-FOIQADDNSA-N	324.424	5.014	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-]	482436749	JJGFFMDAOYNMLA-FOIQADDNSA-N	324.424	5.095	5	20	DKBD	
O=[N+]([O-])c1cccc2nc(/C=C/c3ccc(Cl)s3)ccc12	14178730	WHZJENGVXWUKMN-GQCTYLIASA-N	316.769	5.028	5	20	DKBD	
C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1	319824536	MGHWYUWIHCBFPD-KDOFPFPSSA-N	312.413	5.033	5	20	DKBD	
COc1ccccc1[C@@H](C)S[C@@H](C)c1cccc([N+](=O)[O-])c1	463205204	LTDXXZZZDKKMAL-QWHCGFSZSA-N	317.410	5.159	5	20	DKBD	
Cc1ccc([C@H](C)N[C@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-]	482436751	JJGFFMDAOYNMLA-MGPUTAFESA-N	324.424	5.095	5	20	DKBD	
CC[C@H](N[C@@H](C)c1cc(C)sc1C)c1cccc([N+](=O)[O-])c1	195614606	FQSWMEAPFBGCJS-SJCJKPOMSA-N	318.442	5.075	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1cccc(C)c1C)c1cccc([N+](=O)[O-])c1	483124202	GIYGAHPMYGHLKJ-HNAYVOBHSA-N	312.413	5.014	5	20	DKBD	
CC[C@H](N[C@@H](C)c1cccc(C)c1C)c1cccc([N+](=O)[O-])c1	483124204	GIYGAHPMYGHLKJ-KXBFYZLASA-N	312.413	5.014	5	20	DKBD	
CC[C@@H](N[C@H](c1ccccc1)C(C)C)c1cccc([N+](=O)[O-])c1	319822088	LWOPNDBAOHEAGV-MOPGFXCFSA-N	312.413	5.033	5	20	DKBD	
CC[C@@H](N[C@H](c1ccccc1C)C1CC1)c1cccc([N+](=O)[O-])c1	482942453	COKIWAQTTQWXPS-UXHICEINSA-N	324.424	5.095	5	20	DKBD	
c1coc(CSCc2nc3ccccc3c3ccccc23)c1	515335890	SENFVBSZGFKWHW-UHFFFAOYSA-N	305.402	5.414	5	20	DKBD	
Cc1ccc([C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C2CC2)cc1	531688581	OXNMTQPXPHPVKZ-QRWLVFNGSA-N	324.424	5.014	5	20	DKBD	
C[C@H](Sc1ccc([N+](=O)[O-])c2cccnc12)c1cccs1	771218306	HBKQEYIFERBHBZ-JTQLQIEISA-N	316.407	5.058	5	20	DKBD	
Cc1ccccc1[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1	531718238	XNGBZYRILCXBFY-MGPUTAFESA-N	324.424	5.014	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@H](C)c2cccc(C3CC3)c2)cc1[N+](=O)[O-]	578627720	TYKBAURFLZIYEV-HUUCEWRRSA-N	324.424	5.192	5	20	DKBD	
O=[N+]([O-])c1cc(Cl)ccc1CNc1cccc(C2CCC2)c1	864028019	JEJCQJSTYLSSEG-UHFFFAOYSA-N	316.788	5.128	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](c1ccccc1)C1CCC1	489979031	NUIOZUJASLYDEE-QRWLVFNGSA-N	324.424	5.095	5	20	DKBD	
O=[N+]([O-])c1cccc2ccc(/C=C\c3ccc(Cl)s3)nc12	514912497	PLFBWULTUVLTAO-SREVYHEPSA-N	316.769	5.028	5	20	DKBD	
O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(Cl)s3)nc12	14178415	PLFBWULTUVLTAO-VOTSOKGWSA-N	316.769	5.028	5	20	DKBD	
Cc1c([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)oc2ccccc12	195656623	PTCFHJRICWKNSE-KGLIPLIRSA-N	324.380	5.061	5	20	DKBD	
C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1	319824534	MGHWYUWIHCBFPD-KBXCAEBGSA-N	312.413	5.033	5	20	DKBD	
CC(C)C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1	539091346	XLWIKTRARMCLMU-BBRMVZONSA-N	318.442	5.094	5	20	DKBD	
C[C@H](SCc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1	746389854	ZPCYYZHRMWZNCL-VIFPVBQESA-N	313.831	5.304	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1	390170610	ACKLIXRAVCBWQE-MAUKXSAKSA-N	312.413	5.014	5	20	DKBD	
Cc1c(CNc2cccc(-c3cccs3)c2)cccc1[N+](=O)[O-]	462232722	IQZNOGHMIAIEPK-UHFFFAOYSA-N	324.405	5.244	5	20	DKBD	
CC[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(C)cc1	550300567	YRFXWXFAQFBHOS-KRWDZBQOSA-N	321.380	5.015	5	20	DKBD	
C[C@H](Nc1ccc(-c2ccccc2)cc1)c1ccccc1[N+](=O)[O-]	324851677	KMRFHJSYODHYST-HNNXBMFYSA-N	318.376	5.435	5	20	DKBD	
O=[N+]([O-])c1cccc2nc(/C=C\c3ccc(Cl)s3)ccc12	590778364	WHZJENGVXWUKMN-XQRVVYSFSA-N	316.769	5.028	5	20	DKBD	
CC(C)c1nc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)cs1	609236527	BQUWDVKLMSDFNC-LLVKDONJSA-N	322.455	5.169	5	20	DKBD	
CC(C)C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	390396145	FZBQPQJXOFFJNH-KXBFYZLASA-N	312.413	5.033	5	20	DKBD	
Cc1ccc([C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cc1	532199705	PBWUJKUDRROSGD-YWZLYKJASA-N	324.424	5.014	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-]	325116625	NTPTZBXLGYXSMP-KGLIPLIRSA-N	324.380	5.061	5	20	DKBD	
Cc1c([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)oc2ccccc12	477866407	VAEGFATWYHBRRI-ZIAGYGMSSA-N	324.380	5.061	5	20	DKBD	
Cc1ccc2cc([C@H](C)N[C@H](C)c3cccc([N+](=O)[O-])c3)oc2c1	425938398	QDXWSPOQZBSGCY-KGLIPLIRSA-N	324.380	5.061	5	20	DKBD	
CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	315165472	HEIYZLULIVFVLD-MLGOLLRUSA-N	318.804	5.050	5	20	DKBD	
COc1cccc([C@@H](O)c2cc3ccccc3c3ccccc23)c1	98177877	ZNVIKOXIUZHPPZ-JOCHJYFZSA-N	314.384	5.083	5	20	DKBD	
Cc1c([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)oc2ccccc12	195656619	PTCFHJRICWKNSE-KBPBESRZSA-N	324.380	5.061	5	20	DKBD	
CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	218215793	RBGGPILZGZOOBH-SJKOYZFVSA-N	318.804	5.050	5	20	DKBD	
CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1	536825510	GSUSBKLTUSVFRB-YJBOKZPZSA-N	312.413	5.014	5	20	DKBD	
CC[C@@H](Nc1ccc(CSC)cc1)c1cccc([N+](=O)[O-])c1	540832019	GXHRFRPZKYFRPS-QGZVFWFLSA-N	316.426	5.021	5	20	DKBD	
Cc1ccc(CNc2ccccc2SC(C)C)cc1[N+](=O)[O-]	864029435	OCCWAQXCXCABNX-UHFFFAOYSA-N	316.426	5.016	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-]	36992021	JVPOJIZTBTXFAY-GHMZBOCLSA-N	324.833	5.030	5	20	DKBD	
CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1	195613434	AXCMVWUEMKRNLL-PXAZEXFGSA-N	318.804	5.050	5	20	DKBD	
CC(C)c1nc(CS[C@@H](C)c2ccccc2[N+](=O)[O-])cs1	437256633	FILRQXYEPGZQSN-NSHDSACASA-N	322.455	5.169	5	20	DKBD	
CSc1cccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1	513577258	RZYGILWPMUSGRO-UHFFFAOYSA-N	316.426	5.052	5	20	DKBD	
C[C@H](N[C@@H](C)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	324842189	FGTKIYPZSRGUID-GJZGRUSLSA-N	320.392	5.160	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1	173416870	TYKIAMUKADFUAT-GXFFZTMASA-N	324.833	5.112	5	20	DKBD	
Cc1ccccc1[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1	532228599	CCTFLRDORBLRFG-FOIQADDNSA-N	324.424	5.014	5	20	DKBD	
Cc1ccc([C@H](C)N[C@@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-]	36992020	JVPOJIZTBTXFAY-QWRGUYRKSA-N	324.833	5.030	5	20	DKBD	
COc1ccccc1[C@H](C)S[C@H](C)c1ccccc1[N+](=O)[O-]	463215290	UDAKQKYEQBVELH-OLZOCXBDSA-N	317.410	5.159	5	20	DKBD	
CC[C@@H](N[C@H](C)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1	195548109	SPTNFPZPIVAWEW-SJKOYZFVSA-N	318.804	5.050	5	20	DKBD	
c1ccc(-c2ccc3ccc4c5ccccc5ccc4c3c2)cc1	201468012	NJJQCAPXIUBNCO-UHFFFAOYSA-N	304.392	6.813	5	20	DKBD	
CC[C@@H](N[C@@H](c1ccccc1)C(C)C)c1cccc([N+](=O)[O-])c1	319822091	LWOPNDBAOHEAGV-RTBURBONSA-N	312.413	5.033	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1	386055638	GPOLZFHKLMSBFN-BLLLJJGKSA-N	318.804	5.050	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1ccccc1C)C1CC1	492878158	REOHFOWAVQHBKP-YWZLYKJASA-N	324.424	5.014	5	20	DKBD	
CC[C@@H](N[C@@H](c1ccccc1C)C1CC1)c1cccc([N+](=O)[O-])c1	482942455	COKIWAQTTQWXPS-WOJBJXKFSA-N	324.424	5.095	5	20	DKBD	
CCSCc1cccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])c1	525244054	YNOIIEGDSZEEOO-ZDUSSCGKSA-N	316.426	5.021	5	20	DKBD	
c1cc2c3ccc4c5c(ccc(c6ccc7c(c1CC7)c26)c53)CC4	142307157	FCUZIOYDBKVZCF-UHFFFAOYSA-N	304.392	5.934	5	20	DKBD	
C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1	319824538	MGHWYUWIHCBFPD-KSSFIOAISA-N	312.413	5.033	5	20	DKBD	
CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1	386055641	GPOLZFHKLMSBFN-MLGOLLRUSA-N	318.804	5.050	5	20	DKBD	
Cc1csc(CNCc2c3ccccc3cc3ccccc23)n1	30635975	DFKYHSDAXGTAKL-UHFFFAOYSA-N	318.445	5.048	5	20	DKBD	
Clc1ccc(-c2cccc3ccc4cccnc4c23)cc1Cl	44138312	GSIDSVOBVWEBON-UHFFFAOYSA-N	324.210	6.362	5	20	DKBD	
Cc1ncc(CNCc2c3ccccc3cc3ccccc23)s1	105448801	JFEHYCUNCYHLCQ-UHFFFAOYSA-N	318.445	5.048	5	20	DKBD	
CC(C)c1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1	302803449	GHHOAKSSYSQRDP-HUUCEWRRSA-N	312.413	5.130	5	20	DKBD	
C[C@H](N[C@H](C)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	324842191	FGTKIYPZSRGUID-LSDHHAIUSA-N	320.392	5.160	5	20	DKBD	
Cc1ccccc1[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1	531718240	XNGBZYRILCXBFY-QRWLVFNGSA-N	324.424	5.014	5	20	DKBD	
c1cc2ccc3c4ccc5ccc6ccc(c7ccc1c2c73)c4c65	104959613	STKSNWOTLMRYFR-UHFFFAOYSA-N	300.360	6.919	5	20	DKBD	
C[C@@H](N[C@H](C)c1cccc2ccccc12)c1ccccc1[N+](=O)[O-]	324082854	ZWAANOSLRGKICB-HUUCEWRRSA-N	320.392	5.160	5	20	DKBD	
Cc1c([C@@H](C)N[C@@H](CC2CC2)c2ccccc2)cccc1[N+](=O)[O-]	611474547	YFWXGZCJGRKQPO-BEFAXECRSA-N	324.424	5.095	5	20	DKBD	
CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1	552062178	OVXZRXGAMNPSED-CRAIPNDOSA-N	312.413	5.014	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	315165464	HEIYZLULIVFVLD-BLLLJJGKSA-N	318.804	5.050	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1	540396808	FHQRLEMOEOTEIA-CMPLNLGQSA-N	324.833	5.112	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CC1CC1)c1ccccc1	611474122	HZTSUIZYUKQVGF-MGPUTAFESA-N	324.424	5.095	5	20	DKBD	
C[C@H](Sc1c([N+](=O)[O-])cnc2ccccc12)c1cccs1	813596292	XCPZHVCQYYGDTR-JTQLQIEISA-N	316.407	5.058	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](c1ccccc1C)C1CC1	492878155	REOHFOWAVQHBKP-FOIQADDNSA-N	324.424	5.014	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CC1CC1)c1ccccc1	611474121	HZTSUIZYUKQVGF-FOIQADDNSA-N	324.424	5.095	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1cc(C)sc1C)c1cccc([N+](=O)[O-])c1	195614605	FQSWMEAPFBGCJS-YVEFUNNKSA-N	318.442	5.075	5	20	DKBD	
COc1ccccc1[C@@H](C)S[C@@H](C)c1ccccc1[N+](=O)[O-]	463215291	UDAKQKYEQBVELH-QWHCGFSZSA-N	317.410	5.159	5	20	DKBD	
Cc1c([C@H](C)N[C@@H](CC2CC2)c2ccccc2)cccc1[N+](=O)[O-]	611474550	YFWXGZCJGRKQPO-KXBFYZLASA-N	324.424	5.095	5	20	DKBD	
CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1	536825506	GSUSBKLTUSVFRB-QAPCUYQASA-N	312.413	5.014	5	20	DKBD	
CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1	453245160	GUALFISNLNAGAU-GWCFXTLKSA-N	324.833	5.112	5	20	DKBD	
Cc1ccccc1[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1	531718242	XNGBZYRILCXBFY-YWZLYKJASA-N	324.424	5.014	5	20	DKBD	
c1ccc2c(c1)nc(CSc1ccncc1)c1ccccc12	533447582	MJAVHMNTYIJYTI-UHFFFAOYSA-N	302.402	5.075	5	20	DKBD	
CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1	552062180	OVXZRXGAMNPSED-QAPCUYQASA-N	312.413	5.014	5	20	DKBD	
Clc1ccc(CNCc2c3ccccc3cc3ccccc23)o1	920957164	LUFMPRMNRXIFSK-UHFFFAOYSA-N	321.807	5.529	5	20	DKBD	
Cc1c([C@H](C)N[C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-]	159923119	UCPUOKQHMNFJKZ-KBPBESRZSA-N	324.380	5.061	5	20	DKBD	
Cc1ccc([C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C2CC2)cc1	531688582	OXNMTQPXPHPVKZ-YWZLYKJASA-N	324.424	5.014	5	20	DKBD	
O=[N+]([O-])c1cc(/C=C\c2nc3cc(Cl)ccc3s2)cs1	603893804	FLSGVLKEZGQLTR-RJRFIUFISA-N	322.798	5.090	5	20	DKBD	
C[C@@H](Sc1ccc2ncccc2c1[N+](=O)[O-])c1cccs1	737423772	BGNHJTQUXCOKPG-SNVBAGLBSA-N	316.407	5.058	5	20	DKBD	
CC[C@H](N[C@@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1	195548094	NIFDYLCQNIDJEU-SJCJKPOMSA-N	318.804	5.050	5	20	DKBD	
CC[C@H](Nc1ccc(CSC)cc1)c1cccc([N+](=O)[O-])c1	540832017	GXHRFRPZKYFRPS-KRWDZBQOSA-N	316.426	5.021	5	20	DKBD	
C[C@@H](Nc1ccc([N+](=O)[O-])s1)c1csc2ccccc12	729985830	CHJKNOSFURNCSD-SECBINFHSA-N	304.396	5.044	5	20	DKBD	
CC(C)C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1	539091357	XLWIKTRARMCLMU-CZUORRHYSA-N	318.442	5.094	5	20	DKBD	
C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1cccc([N+](=O)[O-])c1	319860780	RCMPMMAUHUOJEC-RDTXWAMCSA-N	312.413	5.033	5	20	DKBD	
CC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1	552062181	OVXZRXGAMNPSED-YJBOKZPZSA-N	312.413	5.014	5	20	DKBD	
C[C@@H]1CSC(SCc2nc3ccccc3c3ccccc23)=N1	766292729	KPCUCMNMMAXSLW-GFCCVEGCSA-N	324.474	5.113	5	20	DKBD	
Nc1ccc2ccccc2c1-c1cccc2cc3ccccc3cc12	2332241119	LZMKCCJFEWFCEY-UHFFFAOYSA-N	319.407	6.395	5	20	DKBD	
CC(C)c1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	302803448	GHHOAKSSYSQRDP-GJZGRUSLSA-N	312.413	5.130	5	20	DKBD	
C[C@H](N[C@@H](C)c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	216266429	YASRBAFMHUBZRU-GJZGRUSLSA-N	320.392	5.160	5	20	DKBD	
CC[C@H](N[C@@H](c1ccccc1)C(C)C)c1cccc([N+](=O)[O-])c1	319822090	LWOPNDBAOHEAGV-RBUKOAKNSA-N	312.413	5.033	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1ccccc1)C1CCC1	489979032	NUIOZUJASLYDEE-YWZLYKJASA-N	324.424	5.095	5	20	DKBD	
CCSCc1cccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1	539741324	RCCOEYGWHPCXML-CYBMUJFWSA-N	316.426	5.021	5	20	DKBD	
Brc1ccc2c(ccc3c4ccccc4ccc23)c1	196141613	IKUFMQMCBFBQJU-UHFFFAOYSA-N	307.190	5.909	5	20	DKBD	
CC[C@@H](N[C@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1	195548097	NIFDYLCQNIDJEU-SJKOYZFVSA-N	318.804	5.050	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1ccccc1)C1CCC1	489979030	NUIOZUJASLYDEE-MGPUTAFESA-N	324.424	5.095	5	20	DKBD	
C[C@@H](Nc1ccc2c3c(cccc13)CC2)c1ccccc1[N+](=O)[O-]	463917546	YCWUGOXWPROWHV-CYBMUJFWSA-N	318.376	5.020	5	20	DKBD	
CC(C)c1ccc(CNc2ccc3occc3c2)cc1[N+](=O)[O-]	864017533	OXQWZQIURRITPM-UHFFFAOYSA-N	310.353	5.077	5	20	DKBD	
CCC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccsc1	443085610	CFPVFILVPGNBER-BBRMVZONSA-N	318.442	5.157	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@H](CC2CC2)c2ccccc2)cc1[N+](=O)[O-]	611474258	NWQMBNSNAOQHSV-DNVCBOLYSA-N	324.424	5.095	5	20	DKBD	
Oc1nc(-c2cccc(C(F)F)c2)nc2cc3ccccc3cc12	777401963	DYAUHQMLWSYHMV-UHFFFAOYSA-N	322.314	5.093	5	20	DKBD	
CC[C@@H](N[C@H](C)c1cccc(C)c1C)c1cccc([N+](=O)[O-])c1	483124200	GIYGAHPMYGHLKJ-DNVCBOLYSA-N	312.413	5.014	5	20	DKBD	
N#Cc1cccc(CNCc2c3ccccc3cc3ccccc23)c1	237853000	CFNXTJFSXRUMKO-UHFFFAOYSA-N	322.411	5.154	5	20	DKBD	
CCC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccsc1	443085612	CFPVFILVPGNBER-CJNGLKHVSA-N	318.442	5.157	5	20	DKBD	
Oc1ccc(SCc2nc3ccccc3c3ccccc23)cc1	64037587	SELHNUASWWSAHA-UHFFFAOYSA-N	317.413	5.386	5	20	DKBD	
CC[C@H](N[C@H](C)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1	195548111	SPTNFPZPIVAWEW-PXAZEXFGSA-N	318.804	5.050	5	20	DKBD	
CC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	315165476	HEIYZLULIVFVLD-WBMJQRKESA-N	318.804	5.050	5	20	DKBD	
Cc1ccc([C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1	532199618	HIUPYLYFVLUXGV-YWZLYKJASA-N	324.424	5.014	5	20	DKBD	
CCSCc1cccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1	540839505	YZXBIIUZYVAZPF-ZDUSSCGKSA-N	316.426	5.021	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@@H](C)c2csc(Cl)c2)cc1[N+](=O)[O-]	191375949	SHDRFSKTCJPDOZ-MNOVXSKESA-N	324.833	5.030	5	20	DKBD	
CCC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1	480050550	WLJQNNJVIKDKHM-MAUKXSAKSA-N	312.413	5.095	5	20	DKBD	
C[C@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)c1ccsc1	619745951	XQZSPRPNDJLPRY-NSHDSACASA-N	320.414	5.007	5	20	DKBD	
c1ccc2c(CNCc3ccsc3)c3ccccc3cc2c1	727643416	YBGRMBACLHMWAA-UHFFFAOYSA-N	303.430	5.344	5	20	DKBD	
CC[C@@H](Nc1cccc(CSC)c1)c1cccc([N+](=O)[O-])c1	538636198	MDPCBNYQFLHDKT-QGZVFWFLSA-N	316.426	5.021	5	20	DKBD	
CCC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1	480050549	WLJQNNJVIKDKHM-CRAIPNDOSA-N	312.413	5.095	5	20	DKBD	
Cc1c([C@@H](C)N[C@H](CC2CC2)c2ccccc2)cccc1[N+](=O)[O-]	611474548	YFWXGZCJGRKQPO-DNVCBOLYSA-N	324.424	5.095	5	20	DKBD	
C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1csc2ccccc12	729986389	MOOHSBWNEIVOEJ-SNVBAGLBSA-N	316.357	5.122	5	20	DKBD	
C[C@@H](SCc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1	737407483	ZKDYBNQXYSJOQG-SECBINFHSA-N	313.831	5.304	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-]	482436753	JJGFFMDAOYNMLA-QRWLVFNGSA-N	324.424	5.095	5	20	DKBD	
CC(C)C[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	542557758	ZRSYSYUXJLDUNF-HIFRSBDPSA-N	318.442	5.094	5	20	DKBD	
Cc1ncsc1CNCc1c2ccccc2cc2ccccc12	105494487	DLVSPLVDIQIESF-UHFFFAOYSA-N	318.445	5.048	5	20	DKBD	
Cc1c([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])oc2ccccc12	477864835	VILHCPGZTSMQBO-ZIAGYGMSSA-N	324.380	5.061	5	20	DKBD	
C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1	216263188	WOJORKIEBWHCPE-CABCVRRESA-N	320.392	5.160	5	20	DKBD	
C[C@H](N[C@H](C)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1	216263316	WOJORKIEBWHCPE-LSDHHAIUSA-N	320.392	5.160	5	20	DKBD	
CC(C)C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1	540191365	LTOYIJNFKYDOCG-CZUORRHYSA-N	318.442	5.094	5	20	DKBD	
Cc1c([C@@H](C)N[C@@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-]	159922975	UCPUOKQHMNFJKZ-KGLIPLIRSA-N	324.380	5.061	5	20	DKBD	
Cc1c([C@H](C)N[C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-]	159923365	UCPUOKQHMNFJKZ-UONOGXRCSA-N	324.380	5.061	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1cc2ccccc2o1	442885868	MNVMNYXUEGKQNC-UONOGXRCSA-N	324.380	5.061	5	20	DKBD	
CCC(=O)c1ccc(S[C@@H](C)c2cccs2)c([N+](=O)[O-])c1	795093979	CNDUFYYVIRGRKN-JTQLQIEISA-N	321.423	5.102	5	20	DKBD	
C[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1	216263232	WOJORKIEBWHCPE-GJZGRUSLSA-N	320.392	5.160	5	20	DKBD	
CC(C)C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1	539091354	XLWIKTRARMCLMU-CJNGLKHVSA-N	318.442	5.094	5	20	DKBD	
C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12	324842188	FGTKIYPZSRGUID-CABCVRRESA-N	320.392	5.160	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(C3CC3)c2)cc1[N+](=O)[O-]	578627721	TYKBAURFLZIYEV-LSDHHAIUSA-N	324.424	5.192	5	20	DKBD	
Cc1ccc([C@H](C)N[C@@H](c2ccccc2)C2CCC2)cc1[N+](=O)[O-]	482436756	JJGFFMDAOYNMLA-YWZLYKJASA-N	324.424	5.095	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@@H](CC2CC2)c2ccccc2)cc1[N+](=O)[O-]	611474257	NWQMBNSNAOQHSV-BEFAXECRSA-N	324.424	5.095	5	20	DKBD	
Cc1ccc([C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)C2CC2)cc1	531688580	OXNMTQPXPHPVKZ-MGPUTAFESA-N	324.424	5.014	5	20	DKBD	
Cc1c([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)oc2ccccc12	195656621	PTCFHJRICWKNSE-ZIAGYGMSSA-N	324.380	5.061	5	20	DKBD	
C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)c1ccsc1	619745950	XQZSPRPNDJLPRY-LLVKDONJSA-N	320.414	5.007	5	20	DKBD	
CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	218215733	RBGGPILZGZOOBH-SJCJKPOMSA-N	318.804	5.050	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](c1ccccc1)C1CCC1	489979023	NUIOZUJASLYDEE-FOIQADDNSA-N	324.424	5.095	5	20	DKBD	
CCSc1ccc([C@H](C)Nc2cccc(F)c2[N+](=O)[O-])cc1	728909532	PDRLBSUQLHFXRY-NSHDSACASA-N	320.389	5.019	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1cc2ccccc2o1	467281950	MNVMNYXUEGKQNC-KBPBESRZSA-N	324.380	5.061	5	20	DKBD	
CCC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccsc1	443085616	CFPVFILVPGNBER-XJKSGUPXSA-N	318.442	5.157	5	20	DKBD	
C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(C(F)F)c1	468744680	NXMZTGPSPLLYCR-WQLSENKSSA-N	318.323	5.048	5	20	DKBD	
Cc1c([C@@H](C)N[C@@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-]	482434133	DMLJJQWNTWOMGY-QRWLVFNGSA-N	324.424	5.095	5	20	DKBD	
Cc1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C(F)(F)F	390695156	REFQGEOTDFSHKV-NSHDSACASA-N	324.302	5.095	5	20	DKBD	
CC[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccc(C)cc1	550300568	YRFXWXFAQFBHOS-QGZVFWFLSA-N	321.380	5.015	5	20	DKBD	
CCC[C@@H](N[C@@H](CC)c1cccs1)c1cccc([N+](=O)[O-])c1	314825712	RRSTVSVNAJOZCR-JKSUJKDBSA-N	318.442	5.238	5	20	DKBD	
O=[N+]([O-])c1cc(CNc2ccc3oc4ccccc4c3c2)cs1	390289051	OEEWVOXOJYDUDM-UHFFFAOYSA-N	324.361	5.168	5	20	DKBD	
CN(Cc1cscn1)Cc1c2ccccc2cc2ccccc12	769125538	PNQDOXSNZTUDMI-UHFFFAOYSA-N	318.445	5.082	5	20	DKBD	
Cc1c([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)oc2ccccc12	477864726	VAEGFATWYHBRRI-KGLIPLIRSA-N	324.380	5.061	5	20	DKBD	
Cc1ccc([C@@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cc1	532199700	PBWUJKUDRROSGD-FOIQADDNSA-N	324.424	5.014	5	20	DKBD	
C[C@H](Sc1ccc2ncccc2c1[N+](=O)[O-])c1cccs1	737423770	BGNHJTQUXCOKPG-JTQLQIEISA-N	316.407	5.058	5	20	DKBD	
Cc1c([C@@H](C)N[C@H](C)c2cc3ccccc3o2)cccc1[N+](=O)[O-]	159923224	UCPUOKQHMNFJKZ-ZIAGYGMSSA-N	324.380	5.061	5	20	DKBD	
CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1	173416883	TYKIAMUKADFUAT-MFKMUULPSA-N	324.833	5.112	5	20	DKBD	
Brc1cccc2ccc3c4ccccc4ccc3c12	196141622	YEFNZOMNXYLTQV-UHFFFAOYSA-N	307.190	5.909	5	20	DKBD	
C[C@@H](N[C@@H](c1ccccc1)C(C)(C)C)c1cccc([N+](=O)[O-])c1	319860774	RCMPMMAUHUOJEC-KDOFPFPSSA-N	312.413	5.033	5	20	DKBD	
C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(C(F)F)c1	468744681	NXMZTGPSPLLYCR-XYOKQWHBSA-N	318.323	5.048	5	20	DKBD	
CC(C)C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	390396144	FZBQPQJXOFFJNH-HNAYVOBHSA-N	312.413	5.033	5	20	DKBD	
C[C@H](Nc1ccc2c3c(cccc13)CC2)c1ccccc1[N+](=O)[O-]	463917547	YCWUGOXWPROWHV-ZDUSSCGKSA-N	318.376	5.020	5	20	DKBD	
CCSc1ccc([C@@H](C)Nc2cccc(F)c2[N+](=O)[O-])cc1	728909531	PDRLBSUQLHFXRY-LLVKDONJSA-N	320.389	5.019	5	20	DKBD	
Brc1ccc2c(ccc3ccc4ccccc4c32)c1	261508525	UFUYMMCTTXAPHF-UHFFFAOYSA-N	307.190	5.909	5	20	DKBD	
CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1	195613431	AXCMVWUEMKRNLL-SJCJKPOMSA-N	318.804	5.050	5	20	DKBD	
CC(C)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1	540191363	LTOYIJNFKYDOCG-CJNGLKHVSA-N	318.442	5.094	5	20	DKBD	
CCC[C@H](N[C@@H](CC)c1cccs1)c1cccc([N+](=O)[O-])c1	314825710	RRSTVSVNAJOZCR-HOTGVXAUSA-N	318.442	5.238	5	20	DKBD	
Cc1ccc([C@H](C)N[C@@H](CC2CC2)c2ccccc2)cc1[N+](=O)[O-]	611474260	NWQMBNSNAOQHSV-KXBFYZLASA-N	324.424	5.095	5	20	DKBD	
O=[N+]([O-])c1ccc(SCc2csc(C3CCCC3)n2)cc1	63898708	KPXNDVWBXYKZHY-UHFFFAOYSA-N	320.439	5.001	5	20	DKBD	
Cc1ccccc1[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1	531718236	XNGBZYRILCXBFY-FOIQADDNSA-N	324.424	5.014	5	20	DKBD	
CC(C)C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1	539091360	XLWIKTRARMCLMU-XJKSGUPXSA-N	318.442	5.094	5	20	DKBD	
Nc1ccc2ccccc2c1-c1cc2ccccc2c2ccccc12	2332241096	IKQDUVRBDHOIHC-UHFFFAOYSA-N	319.407	6.395	5	20	DKBD	
O=[N+]([O-])c1cc(Cl)ccc1CNc1ccc(C2CCC2)cc1	864026803	FWIYXNORZDFPAD-UHFFFAOYSA-N	316.788	5.128	5	20	DKBD	
C[C@@H](N[C@H](C)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	324842190	FGTKIYPZSRGUID-HUUCEWRRSA-N	320.392	5.160	5	20	DKBD	
CC(C)C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	390396142	FZBQPQJXOFFJNH-BEFAXECRSA-N	312.413	5.033	5	20	DKBD	
CC[C@H](N[C@@H](c1ccccc1C)C1CC1)c1cccc([N+](=O)[O-])c1	482942454	COKIWAQTTQWXPS-VQTJNVASSA-N	324.424	5.095	5	20	DKBD	
C[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1	216263273	WOJORKIEBWHCPE-HUUCEWRRSA-N	320.392	5.160	5	20	DKBD	
CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1	540396811	FHQRLEMOEOTEIA-ZYHUDNBSSA-N	324.833	5.112	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1cc2ccccc2o1	467281951	MNVMNYXUEGKQNC-KGLIPLIRSA-N	324.380	5.061	5	20	DKBD	
Cc1nc(SCc2nc3ccccc3c3ccccc23)oc1C	55237885	NINGOTZHBHPNNC-UHFFFAOYSA-N	320.417	5.285	5	20	DKBD	
CC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1	386055643	GPOLZFHKLMSBFN-WBMJQRKESA-N	318.804	5.050	5	20	DKBD	
C[C@H](Sc1nc2ccccc2s1)c1ccccc1[N+](=O)[O-]	742447597	XHNXQLIQOKYIMM-JTQLQIEISA-N	316.407	5.058	5	20	DKBD	
CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1	315392518	FMPTVKAOOHLESA-SJKOYZFVSA-N	318.804	5.050	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1	453245183	GUALFISNLNAGAU-GXFFZTMASA-N	324.833	5.112	5	20	DKBD	
CC[C@H](N[C@H](C)c1cccc(C)c1C)c1cccc([N+](=O)[O-])c1	483124195	GIYGAHPMYGHLKJ-BEFAXECRSA-N	312.413	5.014	5	20	DKBD	
Cc1ccc([C@H](C)N[C@@H](C)c2cccc(C3CC3)c2)cc1[N+](=O)[O-]	578627719	TYKBAURFLZIYEV-GJZGRUSLSA-N	324.424	5.192	5	20	DKBD	
C[C@@H](Sc1c([N+](=O)[O-])cnc2ccccc12)c1cccs1	813596293	XCPZHVCQYYGDTR-SNVBAGLBSA-N	316.407	5.058	5	20	DKBD	
c1ccc2c(c1)[nH]c1ccc3ccc4[nH]c5ccccc5c4c3c12	2332241125	NAQXZKVYAZXTRW-UHFFFAOYSA-N	306.368	6.109	5	20	DKBD	
C[C@@H](Nc1cccc(SC(F)F)c1)c1ccc([N+](=O)[O-])cc1	749840970	SPXBDOLZUZGGQM-SNVBAGLBSA-N	324.352	5.083	5	20	DKBD	
C[C@@H](Nc1cccc(SC(F)F)c1)c1cccc([N+](=O)[O-])c1	777673976	SYTAIKGHPKDWLX-SNVBAGLBSA-N	324.352	5.083	5	20	DKBD	
COc1ccccc1[C@@H](C)S[C@H](C)c1cccc([N+](=O)[O-])c1	463205202	LTDXXZZZDKKMAL-CHWSQXEVSA-N	317.410	5.159	5	20	DKBD	
CCSCc1cccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1	539741325	RCCOEYGWHPCXML-ZDUSSCGKSA-N	316.426	5.021	5	20	DKBD	
CC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1	390170611	ACKLIXRAVCBWQE-QAPCUYQASA-N	312.413	5.014	5	20	DKBD	
Cc1c([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])oc2ccccc12	477868158	VILHCPGZTSMQBO-KBPBESRZSA-N	324.380	5.061	5	20	DKBD	
Cc1ccc([C@H](C)N[C@@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-]	325116624	NTPTZBXLGYXSMP-KBPBESRZSA-N	324.380	5.061	5	20	DKBD	
CC[C@@H](N[C@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1	544896338	AFQPGBKEWUZWGS-CRAIPNDOSA-N	312.413	5.014	5	20	DKBD	
CC[C@H](N[C@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1	324823365	AHJMYCIVOHFEQV-DYVFJYSZSA-N	324.380	5.143	5	20	DKBD	
COc1cccc([C@H](O)c2cc3ccccc3c3ccccc23)c1	98177876	ZNVIKOXIUZHPPZ-QFIPXVFZSA-N	314.384	5.083	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1ccccc1C)C1CC1	492878156	REOHFOWAVQHBKP-MGPUTAFESA-N	324.424	5.014	5	20	DKBD	
C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12	216266380	YASRBAFMHUBZRU-CABCVRRESA-N	320.392	5.160	5	20	DKBD	
C[C@@H](Nc1ccc(-c2ccccc2)cc1)c1ccccc1[N+](=O)[O-]	324851679	KMRFHJSYODHYST-OAHLLOKOSA-N	318.376	5.435	5	20	DKBD	
Cc1ccccc1[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1	532228601	CCTFLRDORBLRFG-MGPUTAFESA-N	324.424	5.014	5	20	DKBD	
CC(C)C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	542557757	ZRSYSYUXJLDUNF-DZGCQCFKSA-N	318.442	5.094	5	20	DKBD	
C[C@@H](Sc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1	137344393	GUIBFQWSBHJQFK-SNVBAGLBSA-N	316.407	5.058	5	20	DKBD	
CCC[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1	216476923	KSGAMCPPQNPNJR-KRWDZBQOSA-N	321.380	5.096	5	20	DKBD	
Cc1ccc([C@H](N[C@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cc1	532199704	PBWUJKUDRROSGD-QRWLVFNGSA-N	324.424	5.014	5	20	DKBD	
C[C@H](SCc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1	737407488	ZKDYBNQXYSJOQG-VIFPVBQESA-N	313.831	5.304	5	20	DKBD	
CCC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1	480050552	WLJQNNJVIKDKHM-YJBOKZPZSA-N	312.413	5.095	5	20	DKBD	
Cc1c(CNc2ccccc2SC(C)C)cccc1[N+](=O)[O-]	864019246	WSXSKOJSIZQUSR-UHFFFAOYSA-N	316.426	5.016	5	20	DKBD	
Cc1c([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)oc2ccccc12	477864723	VAEGFATWYHBRRI-KBPBESRZSA-N	324.380	5.061	5	20	DKBD	
CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1	536825486	GSUSBKLTUSVFRB-CRAIPNDOSA-N	312.413	5.014	5	20	DKBD	
CC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)cc1	390170604	ACKLIXRAVCBWQE-CRAIPNDOSA-N	312.413	5.014	5	20	DKBD	
CC(C)C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	320134754	VAWRXQMQHIDBPX-KXBFYZLASA-N	312.413	5.033	5	20	DKBD	
CCCC[C@H](C)N(C)C(=O)c1cc2ccccc2c2cccnc12	485156807	DITWGBNCZXLBRX-HNNXBMFYSA-N	320.436	5.039	5	20	DKBD	
FC(F)(F)CCNCc1c2ccccc2cc2ccccc12	742390994	YMTBOTSFROOFLO-UHFFFAOYSA-N	303.327	5.035	5	20	DKBD	
Cc1ccc([C@H](C)N[C@@H](C)c2csc(Cl)c2)cc1[N+](=O)[O-]	191375964	SHDRFSKTCJPDOZ-QWRGUYRKSA-N	324.833	5.030	5	20	DKBD	
CC(C)C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1	540191367	LTOYIJNFKYDOCG-XJKSGUPXSA-N	318.442	5.094	5	20	DKBD	
CC[C@H](N[C@@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1	544896343	AFQPGBKEWUZWGS-YJBOKZPZSA-N	312.413	5.014	5	20	DKBD	
CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	315165468	HEIYZLULIVFVLD-LRDDRELGSA-N	318.804	5.050	5	20	DKBD	
CCSCc1cccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)c1	540839503	YZXBIIUZYVAZPF-CYBMUJFWSA-N	316.426	5.021	5	20	DKBD	
C[C@H](N[C@@H](C)c1cccc2ccccc12)c1ccccc1[N+](=O)[O-]	324082853	ZWAANOSLRGKICB-GJZGRUSLSA-N	320.392	5.160	5	20	DKBD	
CCCC[C@@H](C)N(C)C(=O)c1cc2ccccc2c2cccnc12	485156808	DITWGBNCZXLBRX-OAHLLOKOSA-N	320.436	5.039	5	20	DKBD	
Cc1cscc1NC(=O)c1cc2ccccc2c2cccnc12	439616706	XBUKLQIBRBQJPP-UHFFFAOYSA-N	318.401	5.010	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1	315392520	FMPTVKAOOHLESA-YVEFUNNKSA-N	318.804	5.050	5	20	DKBD	
CC(C)C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	542557760	ZRSYSYUXJLDUNF-ZFWWWQNUSA-N	318.442	5.094	5	20	DKBD	
Cc1ccc([C@H](C)N[C@H](C)c2cccc(C3CC3)c2)cc1[N+](=O)[O-]	578627718	TYKBAURFLZIYEV-CABCVRRESA-N	324.424	5.192	5	20	DKBD	
O=[N+]([O-])c1ccc(Oc2ccc3ccccc3c2)c2ccncc12	25369159	AOVUWZISQOKTRO-UHFFFAOYSA-N	316.316	5.089	5	20	DKBD	
COc1ccccc1[C@H](C)S[C@H](C)c1cccc([N+](=O)[O-])c1	463205203	LTDXXZZZDKKMAL-OLZOCXBDSA-N	317.410	5.159	5	20	DKBD	
CCC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1	480050551	WLJQNNJVIKDKHM-QAPCUYQASA-N	312.413	5.095	5	20	DKBD	
C[C@H](Nc1ccc([N+](=O)[O-])s1)c1csc2ccccc12	729985831	CHJKNOSFURNCSD-VIFPVBQESA-N	304.396	5.044	5	20	DKBD	
CC(C)C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccs1	542557759	ZRSYSYUXJLDUNF-UKRRQHHQSA-N	318.442	5.094	5	20	DKBD	
CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	218215860	RBGGPILZGZOOBH-PXAZEXFGSA-N	318.804	5.050	5	20	DKBD	
Cc1ncsc1NC(=O)c1c2ccccc2cc2ccccc12	760955627	UHKOEPSUFUTJIB-UHFFFAOYSA-N	318.401	5.010	5	20	DKBD	
OCc1cccc(NCc2c3ccccc3cc3ccccc23)c1	789564469	YQOKZYOPLPBLKC-UHFFFAOYSA-N	313.400	5.097	5	20	DKBD	
CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1	173416897	TYKIAMUKADFUAT-ZWNOBZJWSA-N	324.833	5.112	5	20	DKBD	
Cc1cc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)s1	603951884	NWTBJRQZZDFOMB-UHFFFAOYSA-N	316.407	5.064	5	20	DKBD	
Cc1ccc2cc([C@H](C)N[C@@H](C)c3cccc([N+](=O)[O-])c3)oc2c1	425938397	QDXWSPOQZBSGCY-KBPBESRZSA-N	324.380	5.061	5	20	DKBD	
CC(C)(C)c1cc2c3c(c1)c1ccccc1c[n+]3Cc1ccccc1-2	1857523877	QBFDMKQPGQJTGU-UHFFFAOYSA-N	324.447	5.607	5	20	DKBD	
O=[N+]([O-])c1cc(/C=C(/Cl)c2nc3ccccc3s2)cs1	917142840	AKTJVYMGVHDHIB-WEVVVXLNSA-N	322.798	5.003	5	20	DKBD	
Cc1ccc(C)c(CSc2ccc([N+](=O)[O-])c3cnccc23)c1	517358011	WOLWWKHKMCKMDD-UHFFFAOYSA-N	324.405	5.052	5	20	DKBD	
CC[C@H](N[C@H](C)c1cc(C)sc1C)c1cccc([N+](=O)[O-])c1	195614608	FQSWMEAPFBGCJS-PXAZEXFGSA-N	318.442	5.075	5	20	DKBD	
C[C@H](Nc1cccc(SC(F)F)c1)c1cccc([N+](=O)[O-])c1	777673975	SYTAIKGHPKDWLX-JTQLQIEISA-N	324.352	5.083	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-]	325116627	NTPTZBXLGYXSMP-ZIAGYGMSSA-N	324.380	5.061	5	20	DKBD	
CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1	386055639	GPOLZFHKLMSBFN-LRDDRELGSA-N	318.804	5.050	5	20	DKBD	
O=[N+]([O-])c1c(Oc2ccc3ccccc3c2)ccc2ncccc12	480451816	WUHVCCMKILHIND-UHFFFAOYSA-N	316.316	5.089	5	20	DKBD	
Cc1c([C@H](C)N[C@H](CC2CC2)c2ccccc2)cccc1[N+](=O)[O-]	611474549	YFWXGZCJGRKQPO-HNAYVOBHSA-N	324.424	5.095	5	20	DKBD	
CC(C)c1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1	302803447	GHHOAKSSYSQRDP-CABCVRRESA-N	312.413	5.130	5	20	DKBD	
CC[C@H](N[C@@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1	324823367	AHJMYCIVOHFEQV-GUYCJALGSA-N	324.380	5.143	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@H](C)c2csc(Cl)c2)cc1[N+](=O)[O-]	191375975	SHDRFSKTCJPDOZ-GHMZBOCLSA-N	324.833	5.030	5	20	DKBD	
Cc1c([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)oc2ccccc12	195656617	PTCFHJRICWKNSE-UONOGXRCSA-N	324.380	5.061	5	20	DKBD	
CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2[N+](=O)[O-])cc1	91693004	KJIBNMFWZIUIOK-UHFFFAOYSA-N	311.425	5.857	5	20	DKBD	
C[C@H](N[C@H](C)c1cccc2ccccc12)c1ccccc1[N+](=O)[O-]	324082851	ZWAANOSLRGKICB-CABCVRRESA-N	320.392	5.160	5	20	DKBD	
C[C@@H](Sc1nc2ccccc2s1)c1ccccc1[N+](=O)[O-]	742447598	XHNXQLIQOKYIMM-SNVBAGLBSA-N	316.407	5.058	5	20	DKBD	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CC1CC1)c1ccccc1	611474123	HZTSUIZYUKQVGF-QRWLVFNGSA-N	324.424	5.095	5	20	DKBD	
CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1	315392517	FMPTVKAOOHLESA-SJCJKPOMSA-N	318.804	5.050	5	20	DKBD	
Cc1ccc2cc([C@@H](C)N[C@@H](C)c3cccc([N+](=O)[O-])c3)oc2c1	425938399	QDXWSPOQZBSGCY-UONOGXRCSA-N	324.380	5.061	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1	195613429	AXCMVWUEMKRNLL-YVEFUNNKSA-N	318.804	5.050	5	20	DKBD	
O=[N+]([O-])c1ccc(/C=C/SC2CCC(C(F)(F)F)CC2)o1	829935553	HIDGQPLSPLVYAH-BQYQJAHWSA-N	321.320	5.013	5	20	DKBD	
Cc1ccc2cc([C@@H](C)N[C@H](C)c3cccc([N+](=O)[O-])c3)oc2c1	425938400	QDXWSPOQZBSGCY-ZIAGYGMSSA-N	324.380	5.061	5	20	DKBD	
Cc1ccccc1[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1	532228604	CCTFLRDORBLRFG-QRWLVFNGSA-N	324.424	5.014	5	20	DKBD	
O=[N+]([O-])c1ccccc1CNc1ccc2oc3ccccc3c2c1	165285423	CPTRZPDKPAWRCW-UHFFFAOYSA-N	318.332	5.106	5	20	DKBD	
Cc1ccc([C@H](C)N[C@H](C)c2csc(Cl)c2)cc1[N+](=O)[O-]	191375990	SHDRFSKTCJPDOZ-WDEREUQCSA-N	324.833	5.030	5	20	DKBD	
Cc1cc(-c2ccccc2)ccc1NCc1csc([N+](=O)[O-])c1	525176176	LPCWYCVBBUPULF-UHFFFAOYSA-N	324.405	5.244	5	20	DKBD	
O=[N+]([O-])c1cc(/C=C\c2ccc3ccc(Cl)cc3n2)cs1	603894126	SNGRQCJYURIIBR-KTAJNNJTSA-N	316.769	5.028	5	20	DKBD	
C[C@H](N[C@@H](c1ccccc1)C(C)(C)C)c1cccc([N+](=O)[O-])c1	319860777	RCMPMMAUHUOJEC-KSSFIOAISA-N	312.413	5.033	5	20	DKBD	
CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1	532499436	GUALFISNLNAGAU-MFKMUULPSA-N	324.833	5.112	5	20	DKBD	
CN(C(=O)c1c2ccccc2cc2ccccc12)C1CCCC1	762270942	HITVHMMDAYLHJA-UHFFFAOYSA-N	303.405	5.008	5	20	DKBD	
CCSCc1cccc(N[C@H](C)c2ccccc2[N+](=O)[O-])c1	525244053	YNOIIEGDSZEEOO-CYBMUJFWSA-N	316.426	5.021	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1	544896340	AFQPGBKEWUZWGS-MAUKXSAKSA-N	312.413	5.014	5	20	DKBD	
CC(C)(C)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c(=O)c2c1	1857791542	MBGISWAEISPTQJ-UHFFFAOYSA-N	307.437	5.276	5	20	DKBD	
Cc1c([C@H](C)N[C@@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-]	482434136	DMLJJQWNTWOMGY-YWZLYKJASA-N	324.424	5.095	5	20	DKBD	
C[C@@H](SCCCCC(F)(F)F)c1cccc([N+](=O)[O-])c1	507643992	MBROPEOQTISDKC-SNVBAGLBSA-N	307.337	5.122	5	20	DKBD	
CC(C)C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1	540190933	LTOYIJNFKYDOCG-BBRMVZONSA-N	318.442	5.094	5	20	DKBD	
Cc1ccccc1[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1	532228607	CCTFLRDORBLRFG-YWZLYKJASA-N	324.424	5.014	5	20	DKBD	
C[C@@H](SCc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1	588667697	RFUPBIMIPMSCAD-CYBMUJFWSA-N	324.405	5.137	5	20	DKBD	
CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1	195613433	AXCMVWUEMKRNLL-SJKOYZFVSA-N	318.804	5.050	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1	195548092	NIFDYLCQNIDJEU-YVEFUNNKSA-N	318.804	5.050	5	20	DKBD	
CC(C)c1nc(CS[C@H](C)c2ccccc2[N+](=O)[O-])cs1	437256632	FILRQXYEPGZQSN-LLVKDONJSA-N	322.455	5.169	5	20	DKBD	
Cc1ccc([C@@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)C2CC2)cc1	532199701	PBWUJKUDRROSGD-MGPUTAFESA-N	324.424	5.014	5	20	DKBD	
Cc1c([C@@H](C)N[C@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-]	482434126	DMLJJQWNTWOMGY-FOIQADDNSA-N	324.424	5.095	5	20	DKBD	
C[C@H]1CSC(SCc2nc3ccccc3c3ccccc23)=N1	766292752	KPCUCMNMMAXSLW-LBPRGKRZSA-N	324.474	5.113	5	20	DKBD	
CC[C@H](N[C@H](C)c1c(C)cccc1C)c1cccc([N+](=O)[O-])c1	544896341	AFQPGBKEWUZWGS-QAPCUYQASA-N	312.413	5.014	5	20	DKBD	
CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	385987890	CFBZZVMAHYGMEU-PXAZEXFGSA-N	318.804	5.050	5	20	DKBD	
CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1	532499437	GUALFISNLNAGAU-ZWNOBZJWSA-N	324.833	5.112	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	385987896	CFBZZVMAHYGMEU-YVEFUNNKSA-N	318.804	5.050	5	20	DKBD	
C[C@@H](SCCCCC(F)(F)F)c1ccccc1[N+](=O)[O-]	507632977	CBEUFXLOLKJBNE-SNVBAGLBSA-N	307.337	5.122	5	20	DKBD	
C[C@H](N[C@H](c1ccccc1)C(C)(C)C)c1cccc([N+](=O)[O-])c1	319860770	RCMPMMAUHUOJEC-KBXCAEBGSA-N	312.413	5.033	5	20	DKBD	
Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-]	36992019	JVPOJIZTBTXFAY-MNOVXSKESA-N	324.833	5.030	5	20	DKBD	
Cc1cnc(CNCc2c3ccccc3cc3ccccc23)s1	174573345	IQYHMRKREZBTCJ-UHFFFAOYSA-N	318.445	5.048	5	20	DKBD	
CCC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccsc1	443085614	CFPVFILVPGNBER-CZUORRHYSA-N	318.442	5.157	5	20	DKBD	
C[C@@H](N[C@H](C)c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	216266475	YASRBAFMHUBZRU-HUUCEWRRSA-N	320.392	5.160	5	20	DKBD	
CC(C)n1cc(NCc2c3ccccc3cc3ccccc23)cn1	727471209	NLLSJMRFBZQVGL-UHFFFAOYSA-N	315.420	5.383	5	20	DKBD	
CC(C)C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	320134753	VAWRXQMQHIDBPX-HNAYVOBHSA-N	312.413	5.033	5	20	DKBD	
Cc1ccc([C@H](C)N[C@H](C)c2cc3ccccc3o2)cc1[N+](=O)[O-]	325116626	NTPTZBXLGYXSMP-UONOGXRCSA-N	324.380	5.061	5	20	DKBD	
Cc1c([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])oc2ccccc12	477864832	VILHCPGZTSMQBO-UONOGXRCSA-N	324.380	5.061	5	20	DKBD	
C[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc2ccccc12	324082855	ZWAANOSLRGKICB-LSDHHAIUSA-N	320.392	5.160	5	20	DKBD	
CC(C)c1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1	302803451	GHHOAKSSYSQRDP-LSDHHAIUSA-N	312.413	5.130	5	20	DKBD	
Clc1c2ccccc2c(CNCc2ccco2)c2ccccc12	821130079	OYCQCZHVRNAKGH-UHFFFAOYSA-N	321.807	5.529	5	20	DKBD	
CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1	173416860	TYKIAMUKADFUAT-GWCFXTLKSA-N	324.833	5.112	5	20	DKBD	
C[C@@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1cccs1	737425229	QSLFGCWCWNFHQU-MRVPVSSYSA-N	322.436	5.119	5	20	DKBD	
CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	385987894	CFBZZVMAHYGMEU-SJKOYZFVSA-N	318.804	5.050	5	20	DKBD	
C[C@H](Sc1nc2ccc([N+](=O)[O-])cc2s1)c1cccs1	737425230	QSLFGCWCWNFHQU-QMMMGPOBSA-N	322.436	5.119	5	20	DKBD	
C[C@@H](N[C@H](c1ccccc1)C(C)(C)C)c1ccc([N+](=O)[O-])cc1	319824541	MGHWYUWIHCBFPD-RDTXWAMCSA-N	312.413	5.033	5	20	DKBD	
Cc1ccc(SCc2nc3ccccc3c3ccccc23)nc1	643098679	SBENTACVAQFDSV-UHFFFAOYSA-N	316.429	5.384	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1	324823369	AHJMYCIVOHFEQV-SUMWQHHRSA-N	324.380	5.143	5	20	DKBD	
C[C@H](Nc1cccc(SC(F)F)c1)c1ccc([N+](=O)[O-])cc1	749840962	SPXBDOLZUZGGQM-JTQLQIEISA-N	324.352	5.083	5	20	DKBD	
CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	385987892	CFBZZVMAHYGMEU-SJCJKPOMSA-N	318.804	5.050	5	20	DKBD	
O=[N+]([O-])c1cc(CSc2ccc3ccccc3c2)cs1	48619405	FGHXKPMBZSLIBK-UHFFFAOYSA-N	301.392	5.102	5	20	DKBD	
CC[C@H](N[C@H](c1ccccc1C)C1CC1)c1cccc([N+](=O)[O-])c1	482942452	COKIWAQTTQWXPS-PMACEKPBSA-N	324.424	5.095	5	20	DKBD	
CC[C@H](Nc1cccc(CSC)c1)c1cccc([N+](=O)[O-])c1	538636197	MDPCBNYQFLHDKT-KRWDZBQOSA-N	316.426	5.021	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(C)c1	552062179	OVXZRXGAMNPSED-MAUKXSAKSA-N	312.413	5.014	5	20	DKBD	
Cc1ccc([C@H](C)N[C@H](CC2CC2)c2ccccc2)cc1[N+](=O)[O-]	611474259	NWQMBNSNAOQHSV-HNAYVOBHSA-N	324.424	5.095	5	20	DKBD	
C[C@@H](SCc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1	746389845	ZPCYYZHRMWZNCL-SECBINFHSA-N	313.831	5.304	5	20	DKBD	
Cc1nc(SCc2nc3ccccc3c3ccccc23)[nH]c1C	555069494	DBTQJCDCYZFCDU-UHFFFAOYSA-N	319.433	5.020	5	20	DKBD	
O=[N+]([O-])c1ccccc1-c1nc(C2CCC(F)(F)CC2)cs1	430839681	UJEJNELSMJKGNR-UHFFFAOYSA-N	324.352	5.011	5	20	DKBD	
CCC[C@@H](N[C@H](CC)c1cccs1)c1cccc([N+](=O)[O-])c1	314825711	RRSTVSVNAJOZCR-HZPDHXFCSA-N	318.442	5.238	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1	536825500	GSUSBKLTUSVFRB-MAUKXSAKSA-N	312.413	5.014	5	20	DKBD	
C[C@H](Sc1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1	137344339	GUIBFQWSBHJQFK-JTQLQIEISA-N	316.407	5.058	5	20	DKBD	
Cc1c([C@H](C)N[C@H](c2ccccc2)C2CCC2)cccc1[N+](=O)[O-]	482434131	DMLJJQWNTWOMGY-MGPUTAFESA-N	324.424	5.095	5	20	DKBD	
CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1	540396809	FHQRLEMOEOTEIA-JQWIXIFHSA-N	324.833	5.112	5	20	DKBD	
O=[N+]([O-])c1cc(/C=C/c2ccc3ccc(Cl)cc3n2)cs1	603894129	SNGRQCJYURIIBR-ORCRQEGFSA-N	316.769	5.028	5	20	DKBD	
C[C@H](SCc1cccc2cccnc12)c1cccc([N+](=O)[O-])c1	588667702	RFUPBIMIPMSCAD-ZDUSSCGKSA-N	324.405	5.137	5	20	DKBD	
COc1ccccc1[C@H](C)S[C@@H](C)c1cccc([N+](=O)[O-])c1	463205205	LTDXXZZZDKKMAL-STQMWFEESA-N	317.410	5.159	5	20	DKBD	
Cc1ccc([C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)C2CC2)cc1	531688579	OXNMTQPXPHPVKZ-FOIQADDNSA-N	324.424	5.014	5	20	DKBD	
CCC(=O)c1ccc(S[C@H](C)c2cccs2)c([N+](=O)[O-])c1	795093983	CNDUFYYVIRGRKN-SNVBAGLBSA-N	321.423	5.102	5	20	DKBD	
CC(C)C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	390396143	FZBQPQJXOFFJNH-DNVCBOLYSA-N	312.413	5.033	5	20	DKBD	
CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	218215655	RBGGPILZGZOOBH-YVEFUNNKSA-N	318.804	5.050	5	20	DKBD	
CCC[C@H](N[C@H](CC)c1cccs1)c1cccc([N+](=O)[O-])c1	314825708	RRSTVSVNAJOZCR-CVEARBPZSA-N	318.442	5.238	5	20	DKBD	
c1ccc(SCc2nc3ccccc3c3ccccc23)nc1	641880280	VNQXFFSUAOOHLP-UHFFFAOYSA-N	302.402	5.075	5	20	DKBD	
CC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(Cl)s1	540396810	FHQRLEMOEOTEIA-PWSUYJOCSA-N	324.833	5.112	5	20	DKBD	
CN(Cc1nccs1)Cc1c2ccccc2cc2ccccc12	769469375	WXKYLSZYWNRORD-UHFFFAOYSA-N	318.445	5.082	5	20	DKBD	
CCC[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1	216476878	KSGAMCPPQNPNJR-QGZVFWFLSA-N	321.380	5.096	5	20	DKBD	
CC(C)c1nc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)cs1	609236528	BQUWDVKLMSDFNC-NSHDSACASA-N	322.455	5.169	5	20	DKBD	
CC(C)(C)C(c1ccc2ccc3cccnc3c2n1)C(C)(C)C	2332241223	JJNDBTHDFJAIOJ-UHFFFAOYSA-N	306.453	5.959	5	20	DKBD	
CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1	315392516	FMPTVKAOOHLESA-PXAZEXFGSA-N	318.804	5.050	5	20	DKBD	
CC(C)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1	320134750	VAWRXQMQHIDBPX-BEFAXECRSA-N	312.413	5.033	5	20	DKBD	
C[C@H](SCCCCC(F)(F)F)c1cccc([N+](=O)[O-])c1	507643990	MBROPEOQTISDKC-JTQLQIEISA-N	307.337	5.122	5	20	DKBD	
O=[N+]([O-])c1ccc(/C=C\SC2CCC(C(F)(F)F)CC2)o1	829935554	HIDGQPLSPLVYAH-FPLPWBNLSA-N	321.320	5.013	5	20	DKBD	
COc1ccccc1[C@@H](C)S[C@H](C)c1ccccc1[N+](=O)[O-]	463215289	UDAKQKYEQBVELH-CHWSQXEVSA-N	317.410	5.159	5	20	DKBD	
CC[C@@H](N[C@H](C)c1cc2ccccc2o1)c1cccc([N+](=O)[O-])c1	324823363	AHJMYCIVOHFEQV-CXAGYDPISA-N	324.380	5.143	5	20	DKBD	
C[C@@H](Sc1ccc([N+](=O)[O-])c2cccnc12)c1cccs1	771218313	HBKQEYIFERBHBZ-SNVBAGLBSA-N	316.407	5.058	5	20	DKBD	
Cc1c([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)oc2ccccc12	477866405	VAEGFATWYHBRRI-UONOGXRCSA-N	324.380	5.061	5	20	DKBD	
O=[N+]([O-])c1cccc(-c2nc(C3CCC(F)(F)CC3)cs2)c1	430832667	IIANBNJWJPYHDD-UHFFFAOYSA-N	324.352	5.011	5	20	DKBD	
C[C@H](SCCCCC(F)(F)F)c1ccccc1[N+](=O)[O-]	507632975	CBEUFXLOLKJBNE-JTQLQIEISA-N	307.337	5.122	5	20	DKBD	
Cc1cc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)s1	603951882	NTIJASMBZFREFD-UHFFFAOYSA-N	316.407	5.064	5	20	DKBD	
C[C@H](N[C@H](C)c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	216266517	YASRBAFMHUBZRU-LSDHHAIUSA-N	320.392	5.160	5	20	DKBD	
Cc1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1C(F)(F)F	390695154	REFQGEOTDFSHKV-LLVKDONJSA-N	324.302	5.095	5	20	DKBD	
Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)s2)cc1[N+](=O)[O-]	36992022	JVPOJIZTBTXFAY-WDEREUQCSA-N	324.833	5.030	5	20	DKBD	
Cc1ccc([C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C2CC2)cc1	532199617	HIUPYLYFVLUXGV-QRWLVFNGSA-N	324.424	5.014	5	20	DKBD