smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(O)c1cn(COCCO)c2cc([N+](=O)[O-])ccc2c1=O	28570709	MJKXAUZMNJGDAP-UHFFFAOYSA-N	308.246	0.574	5	1	DCBF	
CN1C(=O)c2ccc([N+](=O)[O-])cc2[C@]2(CC(O)=NC2=O)C1=O	26182197	UBCINXWBKJCNQL-ZDUSSCGKSA-N	303.230	0.332	5	1	DCBF	
Nc1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2[N+](=O)[O-])s1	45505887	JVLKXYRWZIHIEG-BQBZGAKWSA-N	317.396	0.917	5	1	DCBF	
CC(C)[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	84619773	VUIQQQXCPLQUKM-MRVPVSSYSA-O	315.829	0.755	5	1	DCBF	
C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O	13863115	SHHCEBVPGFCVNO-QMMMGPOBSA-N	302.308	0.830	5	1	DCBF	
CN(C)Cc1ccc(CNCCN2CCN/C2=C\[N+](=O)[O-])o1	3788957	PPULTLGLSHUABV-SDNWHVSQSA-N	309.370	0.412	5	1	DCBF	
C[C@H]1O[C@H](n2ccc3ccc([N+](=O)[O-])cc32)[C@@H](O)[C@@H](O)[C@@H]1O	17216352	RPHNMGIXLHJSEW-NJHYNOGISA-N	308.290	0.550	5	1	DCBF	
CO[C@H]1C[C@@H](SC[C@@H](NC(C)=O)C(=O)O)C[N+](C)(C)C1	238746016	HZBJMQMLQFYBOR-QJPTWQEYSA-O	305.420	0.173	5	1	DCBF	
C[N+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21	100053299	GSYQNAMOFFWAPF-PPOBMCMBSA-N	319.357	0.931	5	3	DCBF	in-vitro
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1-c1nnn[nH]1	13745409	ZVTNFDJNGBTYNG-UHFFFAOYSA-N	303.194	0.525	5	1	DCBF	
O=[N+]([O-])c1ccc(NC(P(=O)(O)O)P(=O)(O)O)cc1	96286212	HTWBLJFKBSZUAN-UHFFFAOYSA-N	312.111	0.646	5	1	DCBF	
O=C1N[C@H](Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)N2CCC[C@@H]12	13430137	ITINUQXUQFAVER-ZJUUUORDSA-N	305.290	0.332	5	1	DCBF	biogenic
Nc1nc(=O)c([C@@H](CCc2ccccc2)C[N+](=O)[O-])c(N)[nH]1	136379941	LFHFQNDFQHVUFH-JTQLQIEISA-N	303.322	0.927	5	1	DCBF	
O=C(O)[C@]1(OCc2ccccc2[N+](=O)[O-])C=C[C@@H](O)[C@H](O)C1	13531590	HNHYMFKEBUOPPZ-BZPMIXESSA-N	309.274	0.617	5	1	DCBF	
C[C@@H]1S[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H](O)[C@H]1O	40434703	KJLNCXREDXUMNY-NPIRLYGUSA-N	301.320	0.518	5	1	DCBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1nnc2ccccc21	1772649626	ITJRMCOMUAHGTL-JTQLQIEISA-N	302.294	0.906	5	1	DCBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(O)nc(N)nc2[nH]1	587267914	IHMJQAPUHWTZFE-UHFFFAOYSA-N	318.297	0.917	5	1	DCBF	
O=c1c2ccccc2n2nnc3ccc(NCCNCCO)c1c32	5732911	ZPTZQTRXGWKCLC-UHFFFAOYSA-N	323.356	0.828	5	1	DCBF	
Nc1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2[N+](=O)[O-])s1	45505884	JVLKXYRWZIHIEG-RNFRBKRXSA-N	317.396	0.917	5	1	DCBF	
O=C(O)C[C@@H](O)Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586886901	CIZNTQXGBXOJIN-YFKPBYRVSA-N	310.222	0.757	5	1	DCBF	
Cn1c(=O)c2nc3sc4ccccc4c(=N)n3c2n(C)c1=O	5722042	KKXXGJNITNOJBF-UHFFFAOYSA-N	313.342	0.579	5	1	DCBF	
COc1cc(C[C@H](CO[N+](=O)[O-])[N+](=O)[O-])cc(OC)c1O	38143402	WDEGMTMTRQEPGR-MRVPVSSYSA-N	302.239	0.806	5	1	DCBF	
CCOC(=O)CNC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	13863239	BXOMPUNTJFSTEN-UHFFFAOYSA-N	319.273	0.938	5	1	DCBF	
O=C(O)Cn1c(O)c(O)n(Cc2cccc([N+](=O)[O-])c2)c1=O	169715174	BGDNVNUTHGLNRS-UHFFFAOYSA-N	309.234	0.102	5	1	DCBF	
O=C(O)CC[C@@H](NC(=O)Nc1ncc([N+](=O)[O-])s1)C(=O)O	1857588531	IGFUVZWMSRBJHZ-SCSAIBSYSA-N	318.267	0.491	5	1	DCBF	
C[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)c1ccccc1	29324964	MTBGMUGBSOIFQN-HZSIZEEPSA-N	319.357	0.825	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3c(N)ncnc3[nH]2)[C@@H]1C[N+](=O)[O-]	587266326	ZZNUDCVAERZBDO-BWZBUEFSSA-N	304.310	0.596	5	1	DCBF	
CN(C)CCNC(=O)Cn1cc([N+](=O)[O-])c(=O)c2ccccc21	1629052	FITXWLIVHRSYQV-UHFFFAOYSA-N	318.333	0.588	5	1	DCBF	
CNC1=C([N+](=O)[O-])[C@H](c2ccc([N+](=O)[O-])cc2)N=C2N=CNN21	1911580884	OBOWMXOZBGZWRV-VIFPVBQESA-N	317.265	0.519	5	1	DCBF	
CC1(C)C[N@@]1C[C@@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	1857536622	IKXQOBBUVJYNLY-UFNACEAMSA-N	309.322	0.772	5	1	DCBF	
C[C@H]1[C@@H](C)N1C[C@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	28110263	QXRZDJCYVWWCQH-KMFKRPOGSA-N	309.322	0.771	5	1	DCBF	
C=C1C(=O)N(CC(=O)O)C(=O)N1Cc1cccc([N+](=O)[O-])c1	1891354	BEVCFRPRMCYQIE-UHFFFAOYSA-N	305.246	0.957	5	1	DCBF	
Nc1ncc(-c2nc3c(O)nc(S)nc3[nH]2)cc1[N+](=O)[O-]	587268336	RUPFXQQQDCDATH-UHFFFAOYSA-N	305.279	0.900	5	1	DCBF	
C[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)c1ccccc1	29324970	MTBGMUGBSOIFQN-URHIDPGUSA-N	319.357	0.825	5	1	DCBF	
CNCCC[N+](C)(C)CCCN(C)CCCC[C@@H](N)C(=O)O	2356525642	WNXPSYBBCKSHPR-OAHLLOKOSA-O	317.498	0.576	5	1	DCBF	
O=C(c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)N(CCO)CCO	96272541	JGRYSELUHWOLPI-UHFFFAOYSA-N	320.305	0.412	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3c(O)nc(N)nc3[nH]2)[C@H]1C[N+](=O)[O-]	587261344	BDGYSVDNFRFNCU-QYNIQEEDSA-N	320.309	0.301	5	1	DCBF	
O=[N+]([O-])c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c1	33370746	RZUPPTSNKSBSQO-DJLDLDEBSA-N	308.183	0.154	5	1	DCBF	in-vitro
C[N+]1([O-])[C@@H]2CC(OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12	102652012	GSYQNAMOFFWAPF-YLYNSEKISA-N	319.357	0.931	5	1	DCBF	
c1ccc2c(c1)c1nc3nonc3nc1n2CCc1nn[nH]n1	474605888	GQIVONMEFNDYFD-UHFFFAOYSA-N	307.277	0.877	5	1	DCBF	
C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCCCCO[N+](=O)[O-]	29123206	KXEQINOXAQJZHP-NSHDSACASA-O	321.350	0.848	5	1	DCBF	
CCN(CC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	13648894	CJNBCZAOKZPEFM-UHFFFAOYSA-N	318.311	0.997	5	1	DCBF	
O=C(O)CNC(=O)CCCC(=O)NCc1ccc([N+](=O)[O-])cc1	2043202	UCFVFUIGNWHAJJ-UHFFFAOYSA-N	323.305	0.582	5	1	DCBF	in-vivo
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1[C@H]1N=CNN1	1911575672	BQJOLZVNZZIETN-AWEZNQCLSA-N	311.257	0.764	5	1	DCBF	
CC1(C)CN1C[C@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	26506662	IKXQOBBUVJYNLY-XEIZQSICSA-N	309.322	0.772	5	1	DCBF	
CCN(CC)CCNc1n[n+](=O)c2cc([N+](=O)[O-])ccc2n1O	31829744	KHGBPGRYANDNNC-UHFFFAOYSA-N	323.333	0.850	5	1	DCBF	
O=C(O)CN1C(=O)C(=O)N(CCc2cccc([N+](=O)[O-])c2)C1=O	29561666	PIHIQTRFQPHVFX-UHFFFAOYSA-N	321.245	0.013	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3c(O)nc(O)nc3[nH]2)[C@@H]1C[N+](=O)[O-]	587263004	JBUPMDAGDRJMFX-FSDSQADBSA-N	321.293	0.425	5	1	DCBF	
C[C@@H]1O[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	4360796	MZGWUMLEARWVSJ-LNOLMHQLSA-N	318.713	0.488	5	1	DCBF	
Nc1ncc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(O)n1	587253879	RWZQLEHGLCPFGZ-UHFFFAOYSA-N	317.221	1.124	5	1	DCBF	
C[C@H]1[C@@H](C)[N@@]1C[C@@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	1857543808	QXRZDJCYVWWCQH-IENUYLQWSA-N	309.322	0.771	5	1	DCBF	
O=c1[nH]c2cc(-n3cnc([N+](=O)[O-])c3)c([N+](=O)[O-])cc2nc1O	13734397	HMTVDMNTPJFLRS-UHFFFAOYSA-N	318.205	0.631	5	1	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cnnc(O)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587263020	JEIVLVHMHZSRGJ-GJMOJQLCSA-N	305.294	0.719	5	1	DCBF	
C[C@@H]1O[C@H](n2ccc3ccc([N+](=O)[O-])cc32)[C@@H](O)[C@@H](O)[C@@H]1O	17216349	RPHNMGIXLHJSEW-OPKVAGGOSA-N	308.290	0.550	5	1	DCBF	
Nc1ncnc2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc12	587265492	UXKHPQACPJWRTB-ZETCQYMHSA-N	315.293	0.791	5	1	DCBF	
CCOC(=O)[C@H]1C(=O)NC(N)=N[C@H]1c1ccccc1[N+](=O)[O-]	169353577	ZFVKVONJWNWKPW-ZJUUUORDSA-N	306.278	0.260	5	1	DCBF	
C[C@@]1(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCC(=O)NC1=O	13440205	SSFKURSGJRBEPO-CQSZACIVSA-N	317.257	0.386	5	1	DCBF	
Cn1c(=O)nc2n(-c3cc[n+](C)cc3)c3ccccc3nc-2c1=O	13755552	GULRJNZBMXTKFC-UHFFFAOYSA-N	320.332	0.409	5	1	DCBF	
CC1(C)C[C@]12NC(=O)N(NC(=O)c1ccc([N+](=O)[O-])cc1)C2=O	66252220	RGEWLAXAVMJUQQ-CQSZACIVSA-N	318.289	0.960	5	1	DCBF	
CC1(C)C[N@@]1C[C@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	1857536621	IKXQOBBUVJYNLY-NTHPWERVSA-N	309.322	0.772	5	1	DCBF	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1[C@@H]1N=CNN1	1911575673	BQJOLZVNZZIETN-CQSZACIVSA-N	311.257	0.764	5	1	DCBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31[C@@H](O)C[N@+](C)([O-])C2	1857584147	UNTLMPNSJZDBOO-TUEPYVCHSA-N	319.357	0.834	5	1	DCBF	
C[C@@H]1S[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1O	253633420	KJLNCXREDXUMNY-XQFKGYICSA-N	301.320	0.518	5	1	DCBF	
O=C(O)CNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c[nH]1	1857642565	JQXUYRROQFFGFH-UHFFFAOYSA-N	321.249	0.318	5	1	DCBF	
O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]13)O2	5996545	HGPZOPYXWPAUKK-OXIQGZBJSA-N	316.269	0.966	5	1	DCBF	
O=c1nc2[nH][nH]cc2c2nc(-c3ccc(O)c([N+](=O)[O-])c3)nn12	1772655134	IICFLZJHJLBBQT-UHFFFAOYSA-N	313.233	0.575	5	1	DCBF	
Cc1ncc([N+](=O)[O-])n1CC(=O)NS(=O)(=O)c1ccccc1	72116809	WGUUIXDGODOOAS-UHFFFAOYSA-N	324.318	0.605	5	1	DCBF	
O=C(O)Cn1c(=O)ccn(Cc2cccc([N+](=O)[O-])c2)c1=O	27754744	SJVJLGNXBBJBOL-UHFFFAOYSA-N	305.246	0.051	5	1	DCBF	
C[C@@H]1O[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	4360801	MZGWUMLEARWVSJ-VVBYJNJRSA-N	318.713	0.488	5	1	DCBF	
CCOC(=O)[C@H]1C(=O)NC(N)=N[C@H]1c1ccc([N+](=O)[O-])cc1	169353583	JGSIQDRJQJJCAF-ZJUUUORDSA-N	306.278	0.260	5	1	DCBF	
O=c1[nH]c(=O)c2c1c1[nH]c3ccccc3c1c1c(=O)[nH]c(=O)c21	3948576	IZHSJTMCSHXFHX-UHFFFAOYSA-N	305.249	0.600	5	1	DCBF	in-vivo
NC1=NS(=O)(=O)Nc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc21	5843614	RTWANQMMWSAULE-UHFFFAOYSA-N	308.279	0.361	5	1	DCBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)N1CCNC(=O)C1	587649104	QARGNVSOQYTPPJ-UHFFFAOYSA-N	302.290	0.957	5	1	DCBF	
Nc1nc(=O)c([C@H](CCc2ccccc2)C[N+](=O)[O-])c(N)[nH]1	136379981	LFHFQNDFQHVUFH-SNVBAGLBSA-N	303.322	0.927	5	1	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3c(O)nc(O)nc3[nH]2)[C@@H]1C[N+](=O)[O-]	587263003	JBUPMDAGDRJMFX-DSYKOEDSSA-N	321.293	0.425	5	1	DCBF	
N[C@@H](CC[P@](=O)(O)[C@H](O)c1csc([N+](=O)[O-])c1)C(=O)O	1772625273	GDELUTDICYGXSV-RCOVLWMOSA-N	324.251	0.720	5	1	DCBF	
CC(=O)Nc1nc(NC(C)=O)nc(-c2ccc([N+](=O)[O-])o2)n1	29058812	OSFMMSIDSIQFIT-UHFFFAOYSA-N	306.238	0.957	5	1	DCBF	
CCC(=O)OC[C@@H](O)CO[P@](=O)(O)OCC[N+](C)(C)C	13508640	YYZULYFULDDFDM-SNVBAGLBSA-O	314.295	0.140	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3c(O)nc(N)nc3[nH]2)[C@@H]1C[N+](=O)[O-]	587261343	BDGYSVDNFRFNCU-FSDSQADBSA-N	320.309	0.301	5	1	DCBF	
Nc1nc(O)c2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2n1	587268938	NVKAJYAYEKCINH-UHFFFAOYSA-N	302.254	0.556	5	1	DCBF	
C[N+]1(CCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)CCOCC1	100729730	IBSHRNDMGHASAQ-CHWSQXEVSA-N	313.805	0.981	5	3	DCBF	
O=C(O)[C@]1(O)C=C[C@@H](OCc2ccc([N+](=O)[O-])cc2)[C@H](O)C1	13531614	WNMVBDKWHSREPB-BZPMIXESSA-N	309.274	0.617	5	1	DCBF	
N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccc([N+](=O)[O-])cc2)C1	29564599	WIPVHEBYHAHMBU-ZWNOBZJWSA-N	309.278	0.036	5	1	DCBF	
C[C@@]1(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CCC(=O)NC1=O	13440207	JYJXLTUJYMFOCC-CQSZACIVSA-N	317.257	0.386	5	1	DCBF	
CCCN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1	13743339	DSMKHUPEQUHVTC-UHFFFAOYSA-N	304.306	0.893	5	1	DCBF	
CCOC(=O)[C@@H]1C(=O)NC(N)=N[C@H]1c1ccccc1[N+](=O)[O-]	169353576	ZFVKVONJWNWKPW-UWVGGRQHSA-N	306.278	0.260	5	1	DCBF	
CCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC	38791424	PCZQIVIHHPZDRR-LLVKDONJSA-O	300.312	0.878	5	1	DCBF	
Cn1c(=O)nc2n(-c3ccncc3)c3ccccc3nc-2c1=O	13755550	OZFVBMIPWZBTLG-UHFFFAOYSA-N	305.297	0.979	5	1	DCBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31[C@H](O)C[N@@+](C)([O-])C2	1857744495	UNTLMPNSJZDBOO-LOMUYOJASA-N	319.357	0.834	5	1	DCBF	
O=[N+]([O-])c1cccc(NC(P(=O)(O)O)P(=O)(O)O)c1	13673738	VPXZTOOBAWPNGR-UHFFFAOYSA-N	312.111	0.646	5	1	DCBF	
[O-][N+]12CC[C@@H]3C[C@@H](O)[C@@H](O)[C@@H](c4cc5c(cc4C1)OCO5)[C@@H]32	59085635	QNIAIGLXWYJZTF-WMJAPKHUSA-N	305.330	0.841	5	1	DCBF	
CN(C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O	28475849	WUEDMUAWRBOAER-UHFFFAOYSA-N	304.306	0.728	5	1	DCBF	
O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N(CCO)CCO	96272553	JDUBXCFOZGEJDD-UHFFFAOYSA-N	320.305	0.412	5	1	DCBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(O)nc(N)nc2[nH]1	587274206	OCLHJSUULFOGBI-RXMQYKEDSA-N	304.270	0.549	5	1	DCBF	
CC(=O)Nc1ccc(C[C@H]2CNC(=N)NC2=N)cc1[N+](=O)[O-]	13757722	NADBPOSSPVEVKV-VIFPVBQESA-N	304.310	0.817	5	1	DCBF	
C[C@@H]1O[C@H](n2ccc3ccc([N+](=O)[O-])cc32)[C@H](O)[C@@H](O)[C@@H]1O	254200550	RPHNMGIXLHJSEW-ZDEGCGEKSA-N	308.290	0.550	5	1	DCBF	
O=C(CCNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CCOC1=O	1857614972	BUYYXMZJMPNRNZ-NSHDSACASA-N	321.289	0.146	5	1	DCBF	
O=[N+]([O-])c1ccc([C@@H]2O[C@@H]2S(=O)(=O)N2CCOCC2)cc1	26292989	IHIGVHDIBGJBSK-NWDGAFQWSA-N	314.319	0.654	5	1	DCBF	
C[C@@H]1O[C@H](n2ccc3ccc([N+](=O)[O-])cc32)[C@H](O)[C@H](O)[C@H]1O	254200548	RPHNMGIXLHJSEW-WBFOWJMUSA-N	308.290	0.550	5	1	DCBF	
CC(=O)NC[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)O1	40639617	COIUPEKHXBQYPM-VIFPVBQESA-N	324.249	0.964	5	1	DCBF	
COc1ccc2nc3nc(N4CCOCC4)[nH]c(=O)c3nc2c1	29131660	JGVPDXSIYHBMMJ-UHFFFAOYSA-N	313.317	0.712	5	1	DCBF	
C[P@](=O)(O)[C@H](O)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12	40465420	SDERSEQFDCMMAZ-JTQLQIEISA-N	315.178	0.840	5	1	DCBF	
Nc1nc(O)c2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2n1	587274720	ZYLLEASGRNSLPR-UHFFFAOYSA-N	304.270	0.378	5	1	DCBF	
O=[N+]([O-])c1nccn1CCCNCCCn1ccnc1[N+](=O)[O-]	1637823	AIODJPQEXPCGSE-UHFFFAOYSA-N	323.313	0.966	5	1	DCBF	
CCS(=O)(=O)NCCCc1nc2cncc([N+](=O)[O-])c2[nH]1	586944370	ULXZPYVEHYWORG-UHFFFAOYSA-N	313.339	0.738	5	1	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3c(O)ncnc3[nH]2)[C@H]1C[N+](=O)[O-]	587261473	BXCCVDNITBFCDF-CSMHCCOUSA-N	305.294	0.719	5	1	DCBF	
Cc1cn(-c2cc3c(cc2[N+](=O)[O-])[nH]c(=O)c(=O)n3O)cn1	13759252	KHLFEXDJQLGJPC-UHFFFAOYSA-N	303.234	0.329	5	1	DCBF	
C[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)c1ccccc1	29324953	MTBGMUGBSOIFQN-MMZFKTHWSA-N	319.357	0.825	5	1	DCBF	
N[C@@H](CC[P@](=O)(O)[C@@H](N)c1csc([N+](=O)[O-])c1)C(=O)O	1772615520	HWKCLORKWKMUIF-POYBYMJQSA-N	323.267	0.686	5	1	DCBF	
O=C(O)[C@@H]1[C@@H]2C=C[C@@]3(CN(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]13)O2	485670	HGPZOPYXWPAUKK-YFCNSXCBSA-N	316.269	0.966	5	1	DCBF	
N[C@@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O	13440463	SDPSTQUUXVTUDE-SSDOTTSWSA-N	316.166	0.084	5	1	DCBF	
C[C@H]1O[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	4360792	MZGWUMLEARWVSJ-NWOINBQQSA-N	318.713	0.488	5	1	DCBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31[C@@H](O)C[N@@+](C)([O-])C2	1857584146	UNTLMPNSJZDBOO-MWRXHXJCSA-N	319.357	0.834	5	1	DCBF	
N=c1[nH]cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc-2[nH]1	587263729	CTYGDKSUIIASAT-ZETCQYMHSA-N	315.293	0.573	5	1	DCBF	
O=[N+]([O-])c1ccc([C@@H]2O[C@H]2S(=O)(=O)N2CCOCC2)cc1	26292997	IHIGVHDIBGJBSK-RYUDHWBXSA-N	314.319	0.654	5	1	DCBF	
C[C@H]1[C@@H](C)[N@@]1C[C@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	1857543809	QXRZDJCYVWWCQH-ZZNWJIEESA-N	309.322	0.771	5	1	DCBF	
C[N@+]1([O-])[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12	299813090	GSYQNAMOFFWAPF-AOMHAQMOSA-N	319.357	0.931	5	1	DCBF	
COC(=O)C1=C[C@@H](O)[C@H](O)[C@H](OCc2cccc([N+](=O)[O-])c2)C1	653873336	CYRBRGHFJBKMMG-MCIONIFRSA-N	323.301	0.705	5	1	DCBF	
N[C@@H](CC[P@](=O)(O)[C@@H](O)c1csc([N+](=O)[O-])c1)C(=O)O	1772625272	GDELUTDICYGXSV-IMTBSYHQSA-N	324.251	0.720	5	1	DCBF	
O=[N+]([O-])c1ncn(CCCN2CCN(c3ccncc3)CC2)n1	96938740	GGDRWWANTBFDEX-UHFFFAOYSA-N	317.353	0.794	5	1	DCBF	
O=C(NCCO)c1ccc(CN2CCOCC2)c([N+](=O)[O-])c1	2178320278	VRMOZTXQLGVGGG-UHFFFAOYSA-N	309.322	0.149	5	1	DCBF	
NS(=O)(=O)c1ccc(NN/C=C2/C=CC=N2)c([N+](=O)[O-])c1	13120121	SFZYYOAKEBMLEH-FPLPWBNLSA-N	309.307	0.641	5	3	DCBF	
CN(C)CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	26174168	UXVMHPDFGRRXPH-UHFFFAOYSA-N	321.381	0.988	5	1	DCBF	
CN(C)Cc1ccc(CNCCN2CCN=C2C[N+](=O)[O-])o1	169714632	KFALQMGXUTWRGV-UHFFFAOYSA-N	309.370	0.422	5	1	DCBF	
CN1C(=O)c2ccc([N+](=O)[O-])cc2[C@@]2(CC(O)=NC2=O)C1=O	26182196	UBCINXWBKJCNQL-CYBMUJFWSA-N	303.230	0.332	5	1	DCBF	
CCOC(=O)[C@@H]1C(=O)NC(N)=N[C@@H]1c1ccccc1[N+](=O)[O-]	169353572	ZFVKVONJWNWKPW-VHSXEESVSA-N	306.278	0.260	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3c(O)ncnc3[nH]2)[C@@H]1C[N+](=O)[O-]	587261470	BXCCVDNITBFCDF-BWZBUEFSSA-N	305.294	0.719	5	1	DCBF	
O=C(O)[C@@H](O)[C@@H](O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586887688	IWKOIAQPSYPONF-SFYZADRCSA-N	301.642	0.603	5	1	DCBF	
O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]13)O2	5996542	HGPZOPYXWPAUKK-ASHKBJFXSA-N	316.269	0.966	5	1	DCBF	
N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2cccc([N+](=O)[O-])c2)C1	29562332	JKNQVGYOGNQKRM-ZWNOBZJWSA-N	309.278	0.036	5	1	DCBF	
Cn1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c3c(nnn3C)c21	1857561270	UNEBEWKJDUWVND-UHFFFAOYSA-N	303.234	0.427	5	1	DCBF	
CCOC(=O)[C@H]1C(=O)NC(N)=N[C@@H]1c1ccccc1[N+](=O)[O-]	169353574	ZFVKVONJWNWKPW-NXEZZACHSA-N	306.278	0.260	5	1	DCBF	
COC(=O)[C@H](c1c([N+](=O)[O-])cn2c1CCCC2)S(C)(=O)=O	1772590571	OOXLYMBLHIFVKZ-NSHDSACASA-N	316.335	0.991	5	1	DCBF	
CN(C)CCNC(=O)Cn1ccc(=O)c2c([N+](=O)[O-])cccc21	1626380	LLZYENZLPBFDHE-UHFFFAOYSA-N	318.333	0.588	5	1	DCBF	
CC(=O)OCCCNc1nc2scnn2c(=O)c1[N+](=O)[O-]	1857570341	YBPTVKILRZZXHQ-UHFFFAOYSA-N	313.295	0.424	5	1	DCBF	
CC[C@H](NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)C(=O)O	26570135	IPLLUVXKUQLDGV-QMMMGPOBSA-N	322.277	0.077	5	1	DCBF	
NCC(=O)N1[C@H](c2ccccc2[N+](=O)[O-])SC[C@H]1C(=O)O	71318437	YONYYWUWRZBURM-ONGXEEELSA-N	311.319	0.581	5	1	DCBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c[nH]c(=N)[nH]c-2n1	587268088	LDLNZKMQZXKSFL-UHFFFAOYSA-N	302.298	0.993	5	1	DCBF	
COC(=O)[C@@H](c1c([N+](=O)[O-])cn2c1CCC2)S(C)(=O)=O	1772632937	UHOKWSIQPYGPGT-SNVBAGLBSA-N	302.308	0.601	5	1	DCBF	
C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	13839992	YXRYBYLDTDHXDS-QMMMGPOBSA-N	302.308	0.830	5	1	DCBF	
C[C@@H]1S[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O	253633419	KJLNCXREDXUMNY-UOAXWKJLSA-N	301.320	0.518	5	1	DCBF	
O=C(O)CC[C@H](NC(=O)Nc1ncc([N+](=O)[O-])s1)C(=O)O	1857588530	IGFUVZWMSRBJHZ-BYPYZUCNSA-N	318.267	0.491	5	1	DCBF	
C[N@@+]1([O-])[C@@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12	299813092	GSYQNAMOFFWAPF-RCJHLRBMSA-N	319.357	0.931	5	1	DCBF	
CCOC(=O)[C@@H]1C(=O)NC(N)=N[C@H]1c1ccc([N+](=O)[O-])cc1	169353582	JGSIQDRJQJJCAF-UWVGGRQHSA-N	306.278	0.260	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cnnc(O)c3[nH]2)[C@H]1C[N+](=O)[O-]	587263021	JEIVLVHMHZSRGJ-PRJMDXOYSA-N	305.294	0.719	5	1	DCBF	
C[C@H]1[C@@H](C)[N@]1C[C@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	1857543807	QXRZDJCYVWWCQH-HOOALCFWSA-N	309.322	0.771	5	1	DCBF	
C[C@@H]1S[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H](O)[C@@H]1O	26156744	KJLNCXREDXUMNY-KHIDNNIESA-N	301.320	0.518	5	1	DCBF	
COC(Cn1c(=N)ccc2c1nc1ccccc1[n+]2[O-])OC	100975790	FDMIDHPNRLRZCV-UHFFFAOYSA-N	300.318	0.921	5	1	DCBF	
CCC(=O)OCc1cn(CCn2c([N+](=O)[O-])cnc2C)nn1	40918494	XJOWXEGNOWMKNF-UHFFFAOYSA-N	308.298	0.845	5	1	DCBF	
O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3cnccn3)c2[nH]c1=O	27867126	ZHUOLSVKEIUQJT-UHFFFAOYSA-N	314.261	0.527	5	1	DCBF	
O=[N+]([O-])c1ccc(CN2C[C@H](N3CC=CC3)CS2(=O)=O)cc1	103063393	YZXDEBQIDLJLMU-AWEZNQCLSA-N	323.374	0.981	5	3	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3c[nH]c(=N)[nH]c-3n2)[C@@H]1C[N+](=O)[O-]	587261310	ARTUGKSCKWTLOU-GJMOJQLCSA-N	304.310	0.378	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3c(O)ncnc3[nH]2)[C@H]1C[N+](=O)[O-]	587261476	BXCCVDNITBFCDF-PRJMDXOYSA-N	305.294	0.719	5	1	DCBF	
O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]13)O2	485671	HGPZOPYXWPAUKK-OHTBPHCPSA-N	316.269	0.966	5	1	DCBF	
O=[N+]([O-])c1cc(-n2nnnc2N=c2nc[nH][nH]2)ccc1Cl	1857748073	PUYCJGJZLRGGSB-UHFFFAOYSA-N	307.661	0.508	5	1	DCBF	
O=[N+]([O-])c1ccn(CCCc2nc3c(O)nc(O)nc3[nH]2)n1	587272956	FQPOPCNZJSPVFP-UHFFFAOYSA-N	305.254	0.502	5	1	DCBF	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C[N+](C)(C)C)cc1	29235391	HJVJQZMFTUHXJF-LBPRGKRZSA-O	315.415	0.823	5	1	DCBF	
COC(=O)[C@@H](c1c([N+](=O)[O-])cn2c1CCCC2)S(C)(=O)=O	1772590569	OOXLYMBLHIFVKZ-LLVKDONJSA-N	316.335	0.991	5	1	DCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1	587274353	JTUPINJMQJCAMR-UHFFFAOYSA-N	322.306	0.519	5	1	DCBF	
O=C(Nc1nnn[nH]1)c1cc(=O)c2cc([N+](=O)[O-])ccc2o1	169314578	WPVMLMDZKIKAAM-UHFFFAOYSA-N	302.206	0.467	5	1	DCBF	
O=[N+]([O-])c1ncn(CCNS(=O)(=O)Cc2ccccc2)n1	84690100	PSVJFNXTFGAPOA-UHFFFAOYSA-N	311.323	0.306	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cnnc(O)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587263018	JEIVLVHMHZSRGJ-BWZBUEFSSA-N	305.294	0.719	5	1	DCBF	
C[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@H]12)c1ccccc1	253634030	MTBGMUGBSOIFQN-ONIAQPFYSA-N	319.357	0.825	5	1	DCBF	
C[N+]1(CCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)CCOCC1	100729726	IBSHRNDMGHASAQ-STQMWFEESA-N	313.805	0.981	5	3	DCBF	
[O-][N+]12CCC3=C[C@H](O)[C@@H](O)[C@@H](c4cc5c(cc4C1)OCO5)[C@@H]32	238782239	ICOVPZQITIHSQV-JUSLXSLOSA-N	303.314	0.761	5	1	DCBF	
CCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21	13759220	HWKMFWIFKLFYLM-UHFFFAOYSA-N	301.262	0.804	5	1	DCBF	
C[N+]1([O-])[C@@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12	103017283	GSYQNAMOFFWAPF-AOXQTWTJSA-N	319.357	0.931	5	1	DCBF	
CC(C)C[C@H](N)C(=O)NC[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1	72116501	BMEJTMZRLKJDST-IHRRRGAJSA-N	324.381	0.445	5	1	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3c(O)nc(N)nc3[nH]2)[C@H]1C[N+](=O)[O-]	587261345	BDGYSVDNFRFNCU-VQVTYTSYSA-N	320.309	0.301	5	1	DCBF	
Nc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2[N+](=O)[O-])s1	45505881	JVLKXYRWZIHIEG-RQJHMYQMSA-N	317.396	0.917	5	1	DCBF	
C=C1N(CC(=O)O)C(=O)C(=O)N1Cc1cccc([N+](=O)[O-])c1	27761116	SJCNQTFUQFAZLN-UHFFFAOYSA-N	305.246	0.321	5	1	DCBF	
CC(C)(NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)C(=O)O	26567788	DCZKJXBMRHPVJS-UHFFFAOYSA-N	322.277	0.077	5	1	DCBF	
O=C(O)c1nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2nc1O	13553632	SRHWHIIUDXEGMO-UHFFFAOYSA-N	320.261	0.778	5	1	DCBF	
O=C(O)c1nc2c(=O)[nH]c3cc(Cl)c([N+](=O)[O-])cc3n2n1	13798639	ABINBWFVNGKXMJ-UHFFFAOYSA-N	309.625	0.831	5	1	DCBF	
Nc1nc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n[nH]1	27647405	RVIGRNPOSDKUJO-UHFFFAOYSA-N	303.326	0.617	5	1	DCBF	
CN(C)CCNC(=O)Cn1ccc(=O)c2cc([N+](=O)[O-])ccc21	1626381	ADGXAFXLLWBEHJ-UHFFFAOYSA-N	318.333	0.588	5	1	DCBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(O)nc(N)nc2[nH]1	587267415	JXQVBDYJTAXGTM-YFKPBYRVSA-N	304.270	0.663	5	1	DCBF	
COC(=O)[C@H](O)[C@H]1OC(=O)C(c2ccc([N+](=O)[O-])cc2)=C1O	102244748	MTQYGRZWSQTZFM-MNOVXSKESA-N	309.230	0.323	5	1	DCBF	
O=C(O)CN1C(=O)CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	100789502	FJBMJIQITUSUCJ-UHFFFAOYSA-N	321.245	0.360	5	1	DCBF	
COc1cc(C[C@@H](CO[N+](=O)[O-])[N+](=O)[O-])cc(OC)c1O	38143401	WDEGMTMTRQEPGR-QMMMGPOBSA-N	302.239	0.806	5	1	DCBF	
Cn1c(=O)nc2n(-c3cccnc3)c3ccccc3nc-2c1=O	13755551	XPLJVTKXYPAXEB-UHFFFAOYSA-N	305.297	0.979	5	1	DCBF	
C[C@@H]1O[C@H](n2ccc3ccc([N+](=O)[O-])cc32)[C@H](O)[C@H](O)[C@@H]1O	254200547	RPHNMGIXLHJSEW-RLJBGXMOSA-N	308.290	0.550	5	1	DCBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(O)nc(O)nc2[nH]1	587266857	BOAKIJHONNXWQV-RXMQYKEDSA-N	305.254	0.787	5	1	DCBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(O)ncnc2[nH]1	587265543	VWCVOTIKIBMRJB-ZETCQYMHSA-N	316.277	0.915	5	1	DCBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(O)nc(N)nc2[nH]1	587267400	JXQVBDYJTAXGTM-RXMQYKEDSA-N	304.270	0.663	5	1	DCBF	
C[C@@]1(O)CCn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@H]1O	1631670	WCPMGBMEIMZWGL-DLBZAZTESA-N	312.325	0.962	5	1	DCBF	
CO[C@@H]1C[C@H](SC[C@@H](NC(C)=O)C(=O)O)C[N+](C)(C)C1	2356334481	HZBJMQMLQFYBOR-GRYCIOLGSA-O	305.420	0.173	5	1	DCBF	
CCC(=O)O[C@H](CO)CO[P@](=O)(O)OCC[N+](C)(C)C	13542215	UQKHQGLDMCRPFS-SNVBAGLBSA-O	314.295	0.140	5	1	DCBF	
C[C@H]1O[C@@H](n2ccc3ccc([N+](=O)[O-])cc32)[C@@H](O)[C@@H](O)[C@@H]1O	5836164	RPHNMGIXLHJSEW-KPSHWXKVSA-N	308.290	0.550	5	1	DCBF	
CNS(=O)(=O)NCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586943208	VYRHNVFSRADSKA-UHFFFAOYSA-N	319.730	0.678	5	1	DCBF	
Cc1ncc([N+](=O)[O-])n1CC(O)Cn1c([N+](=O)[O-])cnc1C	27642200	KAOLQMBIYJYWNM-UHFFFAOYSA-N	310.270	0.574	5	1	DCBF	
O=c1[nH]c2cc(CN3CCC(O)CC3)c([N+](=O)[O-])cc2[nH]c1=O	27756391	IPMRIGJHONCQSR-UHFFFAOYSA-N	320.305	0.081	5	1	DCBF	
C[C@H](NCCc1cc([N+](=O)[O-])cc2nc(O)c(=O)[nH]c12)C(=O)O	26505026	ZYHCDHIRIOEXSZ-LURJTMIESA-N	322.277	0.142	5	1	DCBF	
O=C(O)[C@H](O)[C@@H](O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586887675	IWKOIAQPSYPONF-HTQZYQBOSA-N	301.642	0.603	5	1	DCBF	
C[C@]1(O)CCn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@H]1O	1631671	WCPMGBMEIMZWGL-IRXDYDNUSA-N	312.325	0.962	5	1	DCBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(O)nc(O)nc2[nH]1	587266860	BOAKIJHONNXWQV-YFKPBYRVSA-N	305.254	0.787	5	1	DCBF	
NS(=O)(=O)c1c[nH]c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c1	586930805	YXANWXRLQGAZIT-UHFFFAOYSA-N	308.279	0.509	5	1	DCBF	
CNS(=O)(=O)NCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586941556	AZLSWXIGWBPTQT-UHFFFAOYSA-N	303.275	0.164	5	1	DCBF	
C[C@]1(O)CCn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@@H]1O	1631673	WCPMGBMEIMZWGL-SJORKVTESA-N	312.325	0.962	5	1	DCBF	
O=[N+]([O-])c1cc([C@H](O)P(=O)(O)O)c2nc(O)c(O)nc2c1	13440453	DXMSFQCLDURRBX-SECBINFHSA-N	317.150	0.118	5	1	DCBF	
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N+]2([O-])CCC[C@H]12)[C@H](C)O	4610714	DLNWZIVYKQXLTN-LGBSZNQHSA-N	301.383	0.794	5	1	DCBF	
CC(=O)Nc1ccc(C[C@@H]2CNC(=N)NC2=N)cc1[N+](=O)[O-]	13757720	NADBPOSSPVEVKV-SECBINFHSA-N	304.310	0.817	5	1	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3c(O)nc(N)nc3[nH]2)[C@@H]1C[N+](=O)[O-]	587261342	BDGYSVDNFRFNCU-DSYKOEDSSA-N	320.309	0.301	5	1	DCBF	
C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O	26378880	SHHCEBVPGFCVNO-MRVPVSSYSA-N	302.308	0.830	5	1	DCBF	
Cc1nc([N+](=O)[O-])cn1C[C@H](O)Cn1c([N+](=O)[O-])cnc1C	1772592363	NMKUYGKDWQWZHZ-VIFPVBQESA-N	310.270	0.574	5	1	DCBF	
C[C@H]1[C@@H](C)[N@]1C[C@@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	1857543806	QXRZDJCYVWWCQH-FHSKZCRASA-N	309.322	0.771	5	1	DCBF	
O=C(CO)Nc1cc2nc3cc(CO)ccc3oc-2cc1=O	58583505	OQMHQWLKGNKBET-UHFFFAOYSA-N	300.270	0.716	5	1	DCBF	in-vitro
CCOC(=O)[C@H]1C(=O)NC(N)=N[C@@H]1c1ccc([N+](=O)[O-])cc1	169353581	JGSIQDRJQJJCAF-NXEZZACHSA-N	306.278	0.260	5	1	DCBF	
C[N+]1([O-])[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21	100299144	GSYQNAMOFFWAPF-VDLGPJQBSA-N	319.357	0.931	5	1	DCBF	
CC(=O)N[C@@H](Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O	25989494	YSJXWUCOJMNTRC-QMMMGPOBSA-N	313.222	0.340	5	1	DCBF	
C[N+]1([O-])[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21	238750884	GSYQNAMOFFWAPF-JDNBALDISA-N	319.357	0.931	5	1	DCBF	
C[N+]1([O-])[C@@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12	102623375	GSYQNAMOFFWAPF-SMLJKDQTSA-N	319.357	0.931	5	1	DCBF	
O=C(O)[C@]1(O)C=C[C@@H](OCc2ccccc2[N+](=O)[O-])[C@H](O)C1	13531617	KKNDQIGUXIEMRA-BZPMIXESSA-N	309.274	0.617	5	1	DCBF	
O=c1c2cc3c(cc2nc2ccc(-c4nnn[nH]4)cn12)OCO3	27853788	DEOLUTWWQFIYFX-UHFFFAOYSA-N	308.257	0.757	5	1	DCBF	
O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3ncccn3)c2[nH]c1=O	27862831	NRFWLSXHQWAZSM-UHFFFAOYSA-N	314.261	0.527	5	1	DCBF	
O=C(O)Cn1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1=O	21295	HXPSFLFBTMZTJA-UHFFFAOYSA-N	305.246	0.051	5	1	DCBF	
COc1ccc2cc3c(=O)nc(N(C)CCO)nc-3n(C)c2c1	28651826	PWJCHBWZYDWPIA-UHFFFAOYSA-N	314.345	0.870	5	1	DCBF	
COc1ccc2c(c1)[n+]([O-])c1c(=O)nc(SC)nc-1n2C	102211940	JEKDMXBHYRVYAO-UHFFFAOYSA-N	304.331	0.797	5	1	DCBF	
CCOC(=O)c1nc2c(=O)[nH]c3ccc([N+](=O)[O-])cc3n2n1	13677419	JIMCTXMCYBKBFL-UHFFFAOYSA-N	303.234	0.656	5	1	DCBF	
Nc1nnc(SCC(=O)N[C@H]2CCCC[C@H]2[N+](=O)[O-])s1	45505890	JVLKXYRWZIHIEG-NKWVEPMBSA-N	317.396	0.917	5	1	DCBF	
Cc1cc2[nH]c([C@@H](N)CP(=O)(O)O)nc2cc1[N+](=O)[O-]	586920081	LRFPMYROGWIHTM-LURJTMIESA-N	300.211	0.957	5	1	DCBF	
CO[C@@H]1C[C@H](SC[C@H](NC(C)=O)C(=O)O)C[N+](C)(C)C1	2356334484	HZBJMQMLQFYBOR-WOPDTQHZSA-O	305.420	0.173	5	1	DCBF	
C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	27557991	YXRYBYLDTDHXDS-MRVPVSSYSA-N	302.308	0.830	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3c(O)nc(O)nc3[nH]2)[C@H]1C[N+](=O)[O-]	587263005	JBUPMDAGDRJMFX-QYNIQEEDSA-N	321.293	0.425	5	1	DCBF	
O=c1[nH]c2cc(CN3CCC[C@@H]3CO)c([N+](=O)[O-])cc2[nH]c1=O	96248117	DMYCMDSYPCHHCX-SECBINFHSA-N	320.305	0.081	5	1	DCBF	
O=C(Nc1nnn[nH]1)c1cc2ccc([N+](=O)[O-])cc2[nH]c1=O	13745403	SEQLVKLCYQERMK-UHFFFAOYSA-N	301.222	0.202	5	1	DCBF	
O=[N+]([O-])c1cc([C@@H](O)P(=O)(O)O)c2nc(O)c(O)nc2c1	13440454	DXMSFQCLDURRBX-VIFPVBQESA-N	317.150	0.118	5	1	DCBF	
C[N@+]1([O-])[C@@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12	253982852	GSYQNAMOFFWAPF-CPJACJKDSA-N	319.357	0.931	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3c[nH]c(=N)[nH]c-3n2)[C@@H]1C[N+](=O)[O-]	587261308	ARTUGKSCKWTLOU-BWZBUEFSSA-N	304.310	0.378	5	1	DCBF	
CCN(CC)CCNc1nc2ccc([N+](=O)[O-])cc2[n+]([O-])n1	1620155	LULPABKXBDZZJE-UHFFFAOYSA-N	306.326	0.925	5	1	DCBF	
CN1C(=O)C(C(=O)c2cccc([N+](=O)[O-])c2)C(=O)N(C)C1=O	103238342	NUXHQSXWCOHOLN-UHFFFAOYSA-N	305.246	0.444	5	1	DCBF	
CCS[C@H](N)NCc1cc(O)n2nc(N)c([N+](=O)[O-])c2n1	26006198	UHBRQQHYPLDMOJ-SNVBAGLBSA-N	313.343	0.010	5	1	DCBF	
Cc1cc([N+](=O)[O-])nn1Cc1ccc2c(O)nc(O)nc2n1	587552670	CCIOBNSTISFTDK-UHFFFAOYSA-N	302.250	0.897	5	1	DCBF	
O=C(C1CC1)N1CCN(CCCn2cnc([N+](=O)[O-])n2)CC1	96938746	SUNHKMLYAXDCSD-UHFFFAOYSA-N	308.342	0.131	5	1	DCBF	
CC1(C)C[N@]1C[C@@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	1857536619	IKXQOBBUVJYNLY-CVGXFRLUSA-N	309.322	0.772	5	1	DCBF	
N[C@@H](CC[P@](=O)(O)[C@H](N)c1csc([N+](=O)[O-])c1)C(=O)O	1772615521	HWKCLORKWKMUIF-XPUUQOCRSA-N	323.267	0.686	5	1	DCBF	
CC(C)N1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1	13743358	AEDLNEYZMCRALO-UHFFFAOYSA-N	304.306	0.891	5	1	DCBF	
[O-][N@@+]12Cc3cc4c(cc3[C@]3(C=C[C@@H](O)C[C@@H]31)[C@@H](O)C2)OCO4	1857562866	SZTXPMXHIBXPSP-MKFINAITSA-N	303.314	0.545	5	1	DCBF	
O=C(OCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)[C@@H]1CCCN1	1772575653	MOQLDOOYMOJUCI-ZDUSSCGKSA-N	317.305	0.971	5	1	DCBF	
O=C(O)[C@@H](O)[C@H](O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586887689	IWKOIAQPSYPONF-YUMQZZPRSA-N	301.642	0.603	5	1	DCBF	
CC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	84587660	CZOBQZSQCIQAQN-ZETCQYMHSA-O	301.802	0.509	5	1	DCBF	
CC[C@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	84587886	CZOBQZSQCIQAQN-SSDOTTSWSA-O	301.802	0.509	5	1	DCBF	
CC(C)[C@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	84596980	VUIQQQXCPLQUKM-QMMMGPOBSA-O	315.829	0.755	5	1	DCBF	
C[C@@H]1O[C@H](n2ccc3ccc([N+](=O)[O-])cc32)[C@H](O)[C@@H](O)[C@H]1O	254200546	RPHNMGIXLHJSEW-RCIDEBEYSA-N	308.290	0.550	5	1	DCBF	
C[C@H]1[C@@H](C)N1C[C@@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	28110258	QXRZDJCYVWWCQH-ZRGSKWPGSA-N	309.322	0.771	5	1	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3c(O)nc(O)nc3[nH]2)[C@H]1C[N+](=O)[O-]	587263006	JBUPMDAGDRJMFX-VQVTYTSYSA-N	321.293	0.425	5	1	DCBF	
Cc1ncc([N+](=O)[O-])n1CCNCCCn1ccnc1[N+](=O)[O-]	1630226	XHXDJNORFNWDPG-UHFFFAOYSA-N	323.313	0.884	5	1	DCBF	
O=[N+]([O-])c1ccc([C@H]2O[C@@H]2S(=O)(=O)N2CCOCC2)cc1	26292994	IHIGVHDIBGJBSK-VXGBXAGGSA-N	314.319	0.654	5	1	DCBF	
O=C(O)C[C@H](O)Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586886888	CIZNTQXGBXOJIN-RXMQYKEDSA-N	310.222	0.757	5	1	DCBF	
C[C@H]1S[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H](O)[C@@H]1O	26156767	KJLNCXREDXUMNY-FDMIMSKNSA-N	301.320	0.518	5	1	DCBF	
C[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@@H]12)c1ccccc1	253634027	MTBGMUGBSOIFQN-AHCXZYCDSA-N	319.357	0.825	5	1	DCBF	
NCC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1ccccc1[N+](=O)[O-]	71318436	YONYYWUWRZBURM-GXSJLCMTSA-N	311.319	0.581	5	1	DCBF	
CN1C(=O)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=O	1772618198	ODJLNQPBQDXRBR-UHFFFAOYSA-N	320.261	0.200	5	1	DCBF	
C[C@@H]1S[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H](O)[C@@H]1O	26156760	KJLNCXREDXUMNY-UHUARQJVSA-N	301.320	0.518	5	1	DCBF	
C[N+]1([O-])[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12	100743525	GSYQNAMOFFWAPF-KDLMWCPMSA-N	319.357	0.931	5	1	DCBF	
C[N+]1([O-])[C@H]2CC[C@@H]1[C@@H](O)[C@H](OC(=O)[C@H](CO)c1ccccc1)C2	238735642	GNXKAXFNXJDWHO-NRHWOBRCSA-N	321.373	0.914	5	1	DCBF	
CC(C)(CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	84596603	XZLGIZJACGYZNG-UHFFFAOYSA-O	301.802	0.509	5	1	DCBF	
CC1(C)CN1C[C@@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	26506657	IKXQOBBUVJYNLY-MDMSGNINSA-N	309.322	0.772	5	1	DCBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC2)c([N+](=O)[O-])c1	82149929	QQFWUZXYJZUNOE-UHFFFAOYSA-N	317.279	0.524	5	1	DCBF	
CO[C@H]1C[C@@H](SC[C@H](NC(C)=O)C(=O)O)C[N+](C)(C)C1	238738594	HZBJMQMLQFYBOR-TUAOUCFPSA-O	305.420	0.173	5	1	DCBF	
CNCCC[N+](C)(C)CCCN(C)CCCC[C@H](N)C(=O)O	238747143	WNXPSYBBCKSHPR-HNNXBMFYSA-O	317.498	0.576	5	1	DCBF	
CCOC(=O)[C@@H]1C(=O)NC(N)=N[C@@H]1c1ccc([N+](=O)[O-])cc1	169353580	JGSIQDRJQJJCAF-VHSXEESVSA-N	306.278	0.260	5	1	DCBF	
O=c1oc2c([N+](=O)[O-])c(O)c([N+](=O)[O-])cc2cc1-c1nn[nH]n1	1772620403	NOVXPDYFJUJBLO-UHFFFAOYSA-N	320.177	0.495	5	1	DCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587275109	URZCPVBTJKWEOG-UHFFFAOYSA-N	322.306	0.519	5	1	DCBF	
NS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCC2)c([N+](=O)[O-])c1	13648904	PHNRDZIWGZJBSY-UHFFFAOYSA-N	316.295	0.751	5	1	DCBF	
O=c1[nH]c(=O)c2c1c1[nH]c3ccccc3c1c1c(=O)oc(=O)c21	40879607	GARYKMYTRRTRLH-UHFFFAOYSA-N	306.233	0.865	5	1	DCBF	
O=C(O)c1cn(COCCO)c2ccc([N+](=O)[O-])cc2c1=O	28569526	IMUMPHYGVUPTAM-UHFFFAOYSA-N	308.246	0.574	5	1	DCBF	
COCCOCCOCCOC(=O)N1CC[N+](C)(C)CC1	71295255	COSTZFLZTXCUAL-UHFFFAOYSA-N	305.395	0.195	5	1	DCBF	
O=[N+]([O-])c1ccc([C@H]2O[C@H]2S(=O)(=O)N2CCOCC2)cc1	26293004	IHIGVHDIBGJBSK-NEPJUHHUSA-N	314.319	0.654	5	1	DCBF	
O=C(NCCOCCO)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1	96272536	VMYCSNWOQRUXIE-UHFFFAOYSA-N	320.305	0.724	5	1	DCBF	
CN1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc3c2=O)CC1	26751587	RXYWIPJKVNZWCZ-UHFFFAOYSA-N	316.317	0.824	5	1	DCBF	
O=[N+]([O-])c1ncn(CCCN2CCN(c3ccccn3)CC2)n1	96938756	WHJVDJGTNKAREE-UHFFFAOYSA-N	317.353	0.794	5	1	DCBF	
O=C(O)c1nc2c(=O)[nH]c3c([N+](=O)[O-])cc(Cl)cc3n2n1	13798642	HSDNAXAPRAAMSE-UHFFFAOYSA-N	309.625	0.831	5	1	DCBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cnnc(O)c2[nH]1	587263971	ITNUDKWEPLUQFM-ZETCQYMHSA-N	316.277	0.915	5	1	DCBF	
N[C@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O	13440465	SDPSTQUUXVTUDE-ZETCQYMHSA-N	316.166	0.084	5	1	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3c(N)ncnc3[nH]2)[C@@H]1C[N+](=O)[O-]	587266336	ZZNUDCVAERZBDO-GJMOJQLCSA-N	304.310	0.596	5	1	DCBF	
CO[C@@H]1C[C@@H](SC[C@@H](NC(C)=O)C(=O)O)C[N+](C)(C)C1	2356334482	HZBJMQMLQFYBOR-IJLUTSLNSA-O	305.420	0.173	5	1	DCBF	
N=c1[nH]c2nc(-c3cnc(N)c([N+](=O)[O-])c3)nc-2c(Cl)[nH]1	587268183	NCRBTRDMWWVGNN-UHFFFAOYSA-N	306.673	0.923	5	1	DCBF	
CN1CCN(c2ccc([N+](=O)[O-])c(-n3ncccc3=O)c2)CC1	28955610	MYBGUIWPZVAIMK-UHFFFAOYSA-N	315.333	0.893	5	1	DCBF	
Nc1nc(O)c2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2n1	587270010	HNEOTKRXQGJJNW-QMMMGPOBSA-N	315.293	0.791	5	1	DCBF	
NS(=O)(=O)c1c[nH]c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)c1	586930776	XWJRNVIKUASUHK-UHFFFAOYSA-N	308.279	0.509	5	1	DCBF	
Cn1c(=O)nc2n(-c3ccc[n+](C)c3)c3ccccc3nc-2c1=O	29331185	RCBMBMPINCPBMV-UHFFFAOYSA-N	320.332	0.409	5	1	DCBF	
CN(C)CCNC(=O)Cn1ccc(=O)c2ccc([N+](=O)[O-])cc21	1626382	UUPZNEQTVXGZLC-UHFFFAOYSA-N	318.333	0.588	5	1	DCBF	
O=C(O)[C@H](O)[C@H](O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586887687	IWKOIAQPSYPONF-JGVFFNPUSA-N	301.642	0.603	5	1	DCBF	
Cn1c(=O)c2c(nc3sc4ccccc4c(=O)n32)n(C)c1=O	13217378	SVOPXNRQKZTEJF-UHFFFAOYSA-N	314.326	0.460	5	1	DCBF	
O=[N+]([O-])c1ncn(CCc2ccc3c(O)nc(O)nc3n2)n1	587556156	VDOIZXGJQKGRGM-UHFFFAOYSA-N	303.238	0.178	5	1	DCBF	
CN1C(=O)C(C(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)N(C)C1=O	1772632297	ACLGUJMQZBLDFI-UHFFFAOYSA-N	320.261	0.200	5	1	DCBF	
O=C(CCCCCOC(=O)c1cccc2c1no[n+]2[O-])NO	473087284	DYOHEGLBPDIIBM-UHFFFAOYSA-N	309.278	0.684	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3c(N)ncnc3[nH]2)[C@H]1C[N+](=O)[O-]	587266339	ZZNUDCVAERZBDO-PRJMDXOYSA-N	304.310	0.596	5	1	DCBF	
O=C(CCNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCOC1=O	1857614971	BUYYXMZJMPNRNZ-LLVKDONJSA-N	321.289	0.146	5	1	DCBF	
NC(=O)[C@@H](N)CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	96086643	RTUBWEYSVHBUFM-VIFPVBQESA-N	311.298	0.898	5	1	DCBF	in-vitro
C[C@H](OCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)C(=O)O	26574425	VLNJERKNWWNNEI-YFKPBYRVSA-N	309.234	0.114	5	1	DCBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CNC[C@@H](C3)C2)cc1	103243596	DSEDACYVHWKFBD-PHIMTYICSA-N	311.363	0.825	5	1	DCBF	
CCC[C@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	84596800	TWXWLVQMLQMQRI-MRVPVSSYSA-O	315.829	0.899	5	1	DCBF	
N[C@@H](CP(=O)(O)O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586923604	VDZKYLYAMIJUEX-YFKPBYRVSA-N	304.174	0.788	5	1	DCBF	
O=[N+]([O-])c1ccc2c(c1)CO[C@]21O[C@H](CCO)C[C@H](O)[C@H]1O	199354528	YSNULCLLBGISAV-CABNGKKXSA-N	311.290	0.171	5	3	DCBF	
O=C(O)c1cc(=O)c2cc3c(=O)cc(C(=O)O)[nH]c3c(F)c2[nH]1	39221288	AVXJYTICAOFLJO-UHFFFAOYSA-N	318.216	0.905	5	1	DCBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(O)nc(N)nc2[nH]1	587274207	OCLHJSUULFOGBI-YFKPBYRVSA-N	304.270	0.549	5	1	DCBF	
C[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@H]12)c1ccccc1	253634028	MTBGMUGBSOIFQN-ATLSCFEFSA-N	319.357	0.825	5	1	DCBF	
C[N+]1([O-])[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]21	102222477	GSYQNAMOFFWAPF-NLJIVHMVSA-N	319.357	0.931	5	1	DCBF	
CCCNc1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	13648892	IOJAESFEVURKSE-UHFFFAOYSA-N	304.284	0.972	5	1	DCBF	
O=C(O)CCCNCc1cc([N+](=O)[O-])cc2nc(O)c(=O)[nH]c12	26570439	UBHLVPHICBZXDK-UHFFFAOYSA-N	322.277	0.491	5	1	DCBF	
O=C(CCSc1ccc([N+](=O)[O-])c2nonc12)NCCO	299825063	VXFVBFNBUAVFFG-UHFFFAOYSA-N	312.307	0.722	5	1	DCBF	
C[P@](=O)(O)[C@@H](O)c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12	40465422	SDERSEQFDCMMAZ-SNVBAGLBSA-N	315.178	0.840	5	1	DCBF	
O=C(CNCCNc1ccc([N+](=O)[O-])cn1)N1CCSC1	13522772	GNGDOYBBHVLAFP-UHFFFAOYSA-N	311.367	0.524	5	1	DCBF	
O=[N+]([O-])c1ncn(CCCN2CCN(c3ncccn3)CC2)n1	96938755	ASDJTGVPYXJCBR-UHFFFAOYSA-N	318.341	0.189	5	1	DCBF	
C[C@@H]1S[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O	253633415	KJLNCXREDXUMNY-CAXGQTPXSA-N	301.320	0.518	5	1	DCBF	
CCS(=O)(=O)NCCCc1nc2cc([N+](=O)[O-])cnc2[nH]1	586944767	ZGWHNUOHSJCWHR-UHFFFAOYSA-N	313.339	0.738	5	1	DCBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(O)nc(O)nc2[nH]1	587274201	OBFQMGVLZWLTTI-YFKPBYRVSA-N	305.254	0.673	5	1	DCBF	
CC(=O)N[C@H](Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(=O)O	25989502	YSJXWUCOJMNTRC-MRVPVSSYSA-N	313.222	0.340	5	1	DCBF	
C[N+]1([O-])[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]12	102222475	GSYQNAMOFFWAPF-GYCFKPDDSA-N	319.357	0.931	5	1	DCBF	
O=C(O)CNCCNCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587229343	VTZQFDYHAZUXIS-UHFFFAOYSA-N	311.273	0.374	5	1	DCBF	
CC(=O)Nc1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1C	6818718	QHKZCCCQOLBPHF-UHFFFAOYSA-N	313.317	0.447	5	1	DCBF	
O=c1[nH]c2cc(CN3CC=CCC3)c([N+](=O)[O-])cc2[nH]c1=O	27758495	WQDNWRKVUVAGDZ-UHFFFAOYSA-N	302.290	0.887	5	1	DCBF	
N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2[N+](=O)[O-])C1	29562335	DQMVLUXFRLQZJH-ZWNOBZJWSA-N	309.278	0.036	5	1	DCBF	
Cc1cc(=O)c2c(O)cc3oc(=O)c4c(c3c2o1)=CCN(C)C=4	2356868103	WYHDGNQIFMOQBB-UHFFFAOYSA-N	311.293	0.377	5	1	DCBF	
O=C(O)c1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1	26493020	URWGATGVZXHWNI-UHFFFAOYSA-N	316.229	0.614	5	1	DCBF	
Cn1c([N+](=O)[O-])cnc1COc1ccnc(N2CCNCC2)c1	66077003	WHXUOXWVAFEJNX-UHFFFAOYSA-N	318.337	0.712	5	1	DCBF	
C[N@@+]1([O-])[C@@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@H]12	299813091	GSYQNAMOFFWAPF-DDHKBXJMSA-N	319.357	0.931	5	1	DCBF	
CO[C@@H]1C[C@@H](SC[C@H](NC(C)=O)C(=O)O)C[N+](C)(C)C1	2356334483	HZBJMQMLQFYBOR-UTUOFQBUSA-O	305.420	0.173	5	1	DCBF	
O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OCc2cccc([N+](=O)[O-])c2)C1	653882857	JUPWSUUHJCXLFM-JHJVBQTASA-N	309.274	0.617	5	1	DCBF	
C[C@H]1O[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	4360799	MZGWUMLEARWVSJ-FSVXGXJESA-N	318.713	0.488	5	1	DCBF	
C[C@@H]1S[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@H]1O	253633417	KJLNCXREDXUMNY-GHIOYOQGSA-N	301.320	0.518	5	1	DCBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1	587274942	XGGKUAKWXVBYQO-UHFFFAOYSA-N	308.689	0.832	5	1	DCBF	
Cc1cc2[nH]c(CNCCNCC(=O)O)nc2cc1[N+](=O)[O-]	587229102	OFKOGOCIYVYCJL-UHFFFAOYSA-N	307.310	0.543	5	1	DCBF	
CC1(C)C[N@]1C[C@H](O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	1857536620	IKXQOBBUVJYNLY-HKMHFKNRSA-N	309.322	0.772	5	1	DCBF	
C[N+]1([O-])[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21	2510043	GSYQNAMOFFWAPF-IILNCVEESA-N	319.357	0.931	5	1	DCBF	
CCOC(=O)Cc1nc(N)n(C(=O)c2ccc([N+](=O)[O-])cc2)n1	40394009	VJMOOKJQYBFLIT-UHFFFAOYSA-N	319.277	0.563	5	1	DCBF	
N[C@@H](CC[P@](=O)(O)Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O	1772628031	ZJMMIQORYZRSFH-QMMMGPOBSA-N	318.222	0.873	5	1	DCBF	
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1P(=O)(O)O	13745411	ODUUHISBILAFIK-UHFFFAOYSA-N	315.134	0.148	5	1	DCBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2c(O)nc(S)nc2[nH]1	587274993	YYVDIERYABWYTD-UHFFFAOYSA-N	307.295	0.809	5	1	DCBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)N1CCNC(=O)C1	587649132	QSRKUNUFTOXHEP-UHFFFAOYSA-N	302.290	0.957	5	1	DCBF	
C[N+]1([O-])[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@@H]12	12671915	GSYQNAMOFFWAPF-QIVNNUMGSA-N	319.357	0.931	5	1	DCBF	
C[N+]1(CCN2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)CCOCC1	18154888	IBSHRNDMGHASAQ-OLZOCXBDSA-N	313.805	0.981	5	3	DCBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(O)nc(O)nc2[nH]1	587274198	OBFQMGVLZWLTTI-RXMQYKEDSA-N	305.254	0.673	5	1	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3c[nH]c(=N)[nH]c-3n2)[C@H]1C[N+](=O)[O-]	587261309	ARTUGKSCKWTLOU-CSMHCCOUSA-N	304.310	0.378	5	1	DCBF	
CCC[C@@H](CNC(=O)c1nc(Cl)c(N)nc1N)[N+](C)(C)C	84596858	TWXWLVQMLQMQRI-QMMMGPOBSA-O	315.829	0.899	5	1	DCBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1nnc2ccccc21	1772649627	ITJRMCOMUAHGTL-SNVBAGLBSA-N	302.294	0.906	5	1	DCBF	
Cc1nc([N+](=O)[O-])cn1C[C@@H](O)Cn1c([N+](=O)[O-])cnc1C	1772592359	NMKUYGKDWQWZHZ-SECBINFHSA-N	310.270	0.574	5	1	DCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1	587275019	PXROVTQLHLGSKW-UHFFFAOYSA-N	311.265	0.847	5	1	DCBF	
CCN(CC)CCNc1n[n+]([O-])c2cc([N+](=O)[O-])ccc2[n+]1[O-]	5886555	NYEUAKOHUDTNHD-UHFFFAOYSA-N	322.325	0.164	5	1	DCBF	
COc1cc2cc3c(O)nc(C(N)=O)nc3nc2cc1OC	26647871	DNYNLYNMFPSZMV-UHFFFAOYSA-N	300.274	1.000	5	1	DCBF	
C[C@H]1S[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H](O)[C@H]1O	40434701	KJLNCXREDXUMNY-FXFBJLSPSA-N	301.320	0.518	5	1	DCBF	
CCOn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21	13759246	FJTIQCCVIWOMDR-UHFFFAOYSA-N	317.261	0.232	5	1	DCBF	
CNC1=C([N+](=O)[O-])[C@@H](c2ccc([N+](=O)[O-])cc2)N=C2N=CNN21	1911580883	OBOWMXOZBGZWRV-SECBINFHSA-N	317.265	0.519	5	1	DCBF	
O=c1[nH]c2cc(CN3CCC[C@H](O)C3)c([N+](=O)[O-])cc2[nH]c1=O	96903191	ZIJMCXYRUWQXSV-VIFPVBQESA-N	320.305	0.081	5	1	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3c(O)ncnc3[nH]2)[C@@H]1C[N+](=O)[O-]	587261474	BXCCVDNITBFCDF-GJMOJQLCSA-N	305.294	0.719	5	1	DCBF	
O=[N+]([O-])c1ccc2c(c1)CO[C@@]21O[C@H](CCO)C[C@H](O)[C@H]1O	95569482	YSNULCLLBGISAV-YXCITZCRSA-N	311.290	0.171	5	3	DCBF	
COC(=O)c1ccc2oc3cc(=O)c(N)c(C(N)=O)c-3nc2c1	83924221	SCRSWHLCZLKZNI-UHFFFAOYSA-N	313.269	0.761	5	1	DCBF	in-vitro
C[N+]1(CCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)CCOCC1	4104163	IBSHRNDMGHASAQ-QWHCGFSZSA-N	313.805	0.981	5	3	DCBF	
C[N+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2	238767732	KTEZTXILEWEQIF-KMJNKSQXSA-N	321.373	0.914	5	1	DCBF	
C[C@@H]1O[C@@H](n2ccc3ccc([N+](=O)[O-])cc32)[C@@H](O)[C@@H](O)[C@@H]1O	5836166	RPHNMGIXLHJSEW-ZDMXAGDWSA-N	308.290	0.550	5	1	DCBF	
O=C(O)c1ccc2nc3ccc(OCCO)cc3c(=O)n2c1	169321103	GCTYHDIIKIBUAC-UHFFFAOYSA-N	300.270	0.917	5	1	DCBF	
Cn1c(=O)c2nc(-c3ccc([N+](=O)[O-])cc3N)[nH]c2n(C)c1=O	100683368	ICGTYVBXXUETOI-UHFFFAOYSA-N	316.277	0.118	5	1	DCBF	
O=C(O)[C@]1(OCc2ccc([N+](=O)[O-])cc2)C=C[C@@H](O)[C@H](O)C1	13531587	QUCSAOBCMGHYBN-BZPMIXESSA-N	309.274	0.617	5	1	DCBF	
CC1(C)C[C@@]12NC(=O)N(NC(=O)c1ccc([N+](=O)[O-])cc1)C2=O	66252221	RGEWLAXAVMJUQQ-AWEZNQCLSA-N	318.289	0.960	5	1	DCBF	
CC(C)[C@@](O)(C(=O)OC[C@@H]1CC[N+]2([O-])CCC[C@H]12)[C@@H](C)O	4610712	DLNWZIVYKQXLTN-ITLHPOFBSA-N	301.383	0.794	5	1	DCBF	
COC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(C)=O	13514471	PHIZERZKVIUDPM-LLVKDONJSA-O	314.295	0.404	5	1	DCBF	
O=[N+]([O-])c1cn(Cc2nc(O)nc(O)c2Br)cn1	13607781	FZZLPTYUKLCVJS-UHFFFAOYSA-N	316.071	0.803	5	1	DCBF	
C[C@@]1(O)CCn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@@H]1O	1631672	WCPMGBMEIMZWGL-IAGOWNOFSA-N	312.325	0.962	5	1	DCBF	
COC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(C)=O	13514469	PHIZERZKVIUDPM-NSHDSACASA-O	314.295	0.404	5	1	DCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3c[nH]c(=N)[nH]c-3n2)[C@H]1C[N+](=O)[O-]	587261311	ARTUGKSCKWTLOU-PRJMDXOYSA-N	304.310	0.378	5	1	DCBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(O)nc(O)nc2[nH]1	587271028	XIKRCRQFTNTFLF-QMMMGPOBSA-N	316.277	0.915	5	1	DCBF	
O=C(O)c1cc(=O)c2c(ccc3[nH]c(C(=O)O)cc(=O)c32)[nH]1	39221231	SMQWUBPKKHMGCW-UHFFFAOYSA-N	300.226	0.766	5	1	DCBF	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C[N+](C)(C)C)cc1	29235399	HJVJQZMFTUHXJF-GFCCVEGCSA-O	315.415	0.823	5	1	DCBF	
O=c1[nH]c2cc(CN3CCC[C@@H](O)C3)c([N+](=O)[O-])cc2[nH]c1=O	96903192	ZIJMCXYRUWQXSV-SECBINFHSA-N	320.305	0.081	5	1	DCBF	
O=C1C=C[C@@H]2O[C@H](c3c([N+](=O)[O-])cccc3[N+](=O)[O-])[C@@H](O)[C@@H]2O1	40980767	FZKTXEFXWKWTPW-HWNAMQAFSA-N	322.229	0.785	5	1	DCBF	
CCS[C@@H](N)NCc1cc(O)n2nc(N)c([N+](=O)[O-])c2n1	26006191	UHBRQQHYPLDMOJ-JTQLQIEISA-N	313.343	0.010	5	1	DCBF	
N=c1[nH]cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc-2[nH]1	587269141	HEYBUAYCWRGZOW-UHFFFAOYSA-N	323.276	0.873	5	1	DCBF	
O=[N+]([O-])c1cccnc1NCc1nc2c(O)nc(O)nc2[nH]1	587268556	DJNPMFXPYYXOLR-UHFFFAOYSA-N	303.238	0.679	5	1	DCBF	
CCN1CCN(Cc2nc(=O)c3cc([N+](=O)[O-])ccc3[nH]2)CC1	199443920	YLCPSURLZQQBNQ-UHFFFAOYSA-N	317.349	0.969	5	1	DCBF	
O=C(O)c1cc(=O)c2c(ccc3c(=O)cc(C(=O)O)[nH]c32)[nH]1	39221266	RAEIRHYFVKEMOH-UHFFFAOYSA-N	300.226	0.766	5	1	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3c(N)ncnc3[nH]2)[C@H]1C[N+](=O)[O-]	587266333	ZZNUDCVAERZBDO-CSMHCCOUSA-N	304.310	0.596	5	1	DCBF	
NC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82084890	BSCLQNNTJRLFOG-UHFFFAOYSA-N	306.303	0.933	5	1	DCBF	
O=C(c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1	26282964	LUZNBBPGOHLPBY-UHFFFAOYSA-N	322.277	0.795	5	1	DCBF	
O=c1[nH]c2cc(CN3CCC[C@H]3CO)c([N+](=O)[O-])cc2[nH]c1=O	96248118	DMYCMDSYPCHHCX-VIFPVBQESA-N	320.305	0.081	5	1	DCBF	
C[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@@H]12)c1ccccc1	253634029	MTBGMUGBSOIFQN-IDCNUPLLSA-N	319.357	0.825	5	1	DCBF	
COC(=O)[C@H](c1c([N+](=O)[O-])cn2c1CCC2)S(C)(=O)=O	1772632936	UHOKWSIQPYGPGT-JTQLQIEISA-N	302.308	0.601	5	1	DCBF	
O=[N+]([O-])c1ccc(CN2C[C@@H](N3CC=CC3)CS2(=O)=O)cc1	103063396	YZXDEBQIDLJLMU-CQSZACIVSA-N	323.374	0.981	5	3	DCBF	
CS(=O)(=O)c1ccc(CNC(=O)c2nc([N+](=O)[O-])c[nH]2)cc1	1857741883	ATALBRDFIISQQB-UHFFFAOYSA-N	324.318	0.651	5	1	DCBF	
O=C(O)CN1C(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=S	1891352	NTWQJLVMCMGYFX-UHFFFAOYSA-N	323.286	0.135	5	1	DCBF	
C[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)c1ccccc1	29324959	MTBGMUGBSOIFQN-MWPGWRTMSA-N	319.357	0.825	5	1	DCBF	
C[N+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21	102946613	GSYQNAMOFFWAPF-GSPAOXBCSA-N	319.357	0.931	5	1	DCBF	
C[C@H]1S[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@@H](O)[C@@H]1O	26156753	KJLNCXREDXUMNY-OVBJLEGISA-N	301.320	0.518	5	1	DCBF	
COc1ccc2c(c1)n(C)c1nc(SC)nc(=O)c-1[n+]2[O-]	101134034	NASAMIJVZNSVEY-UHFFFAOYSA-N	304.331	0.797	5	1	DCBF	
O=[N+]([O-])c1ccc(S[C@@H]2SC[C@@H](O)[C@@H](O)[C@@H]2O)cc1	2007192	OPCNOADOCCIZJH-ZNSHCXBVSA-N	303.361	0.843	5	1	DCBF	
C[C@@H](OCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)C(=O)O	26574423	VLNJERKNWWNNEI-RXMQYKEDSA-N	309.234	0.114	5	1	DCBF	
CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(N)cc3n2n1	13532651	GGRJEKBVVSTFIJ-UHFFFAOYSA-N	318.249	0.238	5	1	DCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cnnc(O)c3[nH]2)[C@H]1C[N+](=O)[O-]	587263019	JEIVLVHMHZSRGJ-CSMHCCOUSA-N	305.294	0.719	5	1	DCBF