smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[N+](C)(C)C12CC3CC(CC(C3)C1)C2	5002989	KKXBPUAYFJQMLN-UHFFFAOYSA-N	194.342	2.661	5	40	AFBB	
CC[N+](C)(CC)CSCC(C)C	1568280	QZENUAJUWYZGQQ-UHFFFAOYSA-N	190.376	2.820	5	40	AFBB	
CC[N+](C)(CC)c1ccccc1	1627266	VXXRVQGAGIGJHM-UHFFFAOYSA-N	164.272	2.664	5	40	AFBB	
CCC[N+](C)(C)C1CCCCC1	1720077	ZOGXUYXWOWQGCX-UHFFFAOYSA-N	170.320	2.806	5	40	AFBB	
Cc1cccc(C[N+](C)(C)C)c1C	1758841	VVUHXNXULKQSPQ-UHFFFAOYSA-N	178.299	2.510	5	40	AFBB	
CC/C(=C\c1ccccc1)[N+](=O)[O-]	4523360	ZWVYQTKQQAYACO-CSKARUKUSA-N	177.203	2.714	5	40	AFBB	
C[N+]1(C)CCC[C@@H]1c1ccccc1	1621828	NNGVUCVPEZHVEP-GFCCVEGCSA-N	176.283	2.598	5	40	AFBB	
CC(C)=C[C@H]1[C@@H](C[N+](C)(C)C)C1(C)C	2102900	QLILVQDSMKJWQS-NWDGAFQWSA-N	196.358	2.931	5	40	AFBB	biogenic
CCCc1ccc([N+](=O)[O-])cc1	2510137	SXQBFCVVZIYXHV-UHFFFAOYSA-N	165.192	2.547	5	40	AFBB	
Cc1cccc([N+](=O)[O-])c1NC(C)C	34501098	BLVYJMCXKCUHNV-UHFFFAOYSA-N	194.234	2.724	5	40	AFBB	
O=[N+]([O-])c1ccc(-c2ccco2)cc1	32223670	XQFDRMWXIPRVSO-UHFFFAOYSA-N	189.170	2.855	5	40	AFBB	biogenic
C1CCC[N+]2(CCC1)CCCCC2	1646424	MLTFBDOBHZGONR-UHFFFAOYSA-N	182.331	2.951	5	40	AFBB	
C=Cc1c(F)ccc([N+](=O)[O-])c1C	1504245243	YUWMHIAVFRGPRA-UHFFFAOYSA-N	181.166	2.685	5	40	AFBB	
CCNc1ccc([N+](=O)[O-])cc1CC	226315002	HHCQBKUWNHFSCZ-UHFFFAOYSA-N	194.234	2.589	5	40	AFBB	
O=[N+]([O-])c1ccc(S)c(Cl)c1	1737234	APOVVHFOZVRYTL-UHFFFAOYSA-N	189.623	2.537	5	40	AFBB	in-vitro
Cc1cc(NC(C)C)ccc1[N+](=O)[O-]	35277253	BWWGVVAJWLILJN-UHFFFAOYSA-N	194.234	2.724	5	40	AFBB	
CCCC(=C[N+](=O)[O-])CCC	39147553	RWYZUGCBAMPONQ-UHFFFAOYSA-N	157.213	2.747	5	40	AFBB	
CC[N+](CC)(CC)CC(C)(F)F	1083813799	KULCGNPJTQEQGG-UHFFFAOYSA-N	180.262	2.518	5	40	AFBB	
C[N+](C)(C)CCC1CCCCC1	1709107	DVNPFJRTTRZFGO-UHFFFAOYSA-N	170.320	2.663	5	40	AFBB	
C[N+]1(C2CCCCC2)CCCCC1	1720065	WRBHPVSDEUXZLC-UHFFFAOYSA-N	182.331	2.950	5	40	AFBB	
C1=CC[C@@H]2C[N+]3(CCCCC3)CC2=C1	1321706	MIJMSPDZMJWAOE-CYBMUJFWSA-N	190.310	2.503	5	40	AFBB	
C[C@@H]1N=Nc2cc([N+](=O)[O-])ccc21	71254463	WSBALESTOVVPLV-YFKPBYRVSA-N	177.163	2.753	5	40	AFBB	
O=c1ccoc2ccc3ccccc3c12	16756486	JEUUNKOFKDUVMN-UHFFFAOYSA-N	196.205	2.946	5	40	AFBB	
CC1(C)CC[N+]1(C)Cc1ccccc1	5085943	RZAMAOUJIJRSNO-UHFFFAOYSA-N	190.310	2.816	5	40	AFBB	
C1CCC[N+]2(CC1)CCCCCC2	1646388	ZVTJGXFCNXPNTP-UHFFFAOYSA-N	182.331	2.951	5	40	AFBB	
O=[N+]([O-])c1cccc2c1[C@@H]1C=C[C@H]2C1	6093860	WDACAIAYIWOBAP-JGVFFNPUSA-N	187.198	2.736	5	40	AFBB	
CC(C)c1ccc(C=O)cc1[N+](=O)[O-]	1440525	VUYAJVSQKPFUSL-UHFFFAOYSA-N	193.202	2.531	5	40	AFBB	in-vitro
CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1	5011806	QOBVERLJVQAUPG-MRVPVSSYSA-N	194.234	2.805	5	40	AFBB	
Fc1cccc([N+](F)(F)F)c1F	85483696	CLXYNIXXGSPIBI-UHFFFAOYSA-N	184.087	2.926	5	40	AFBB	
O=[N+]([O-])c1cc(Cl)c2cc[nH]c2c1	34752672	LVUXYHRYTRBKLD-UHFFFAOYSA-N	196.593	2.730	5	40	AFBB	
O=[N+]([O-])c1cc(C2CC2)ccc1F	91297647	TUFIOLOCINEBGD-UHFFFAOYSA-N	181.166	2.611	5	40	AFBB	
CCCC[N+](CC)(CC)CC	1999085	MPDDDPYHTMZBMG-UHFFFAOYSA-N	158.309	2.663	5	40	AFBB	
CCC[N+]([O-])(CCC)CCC	34334757	BRWMGQIDLLHJHL-UHFFFAOYSA-N	159.273	2.531	5	40	AFBB	
CC(C)(C)c1cc([N+](=O)[O-])ccc1O	19801375	WPLSSAJHDAQNCO-UHFFFAOYSA-N	195.218	2.598	5	40	AFBB	in-vitro
C[N+]1(C)CCC[C@H]1c1ccccc1	4536548	NNGVUCVPEZHVEP-LBPRGKRZSA-N	176.283	2.598	5	40	AFBB	
Fc1ccc2cc3cccc[n+]3cc2c1	1579149	VKHLIQGHEWDIHX-UHFFFAOYSA-N	198.220	2.718	5	40	AFBB	
O=[N+]([O-])c1cccc2c1[C@@H]1C=C[C@@H]2C1	100939963	WDACAIAYIWOBAP-HTQZYQBOSA-N	187.198	2.736	5	40	AFBB	
C[C@H]1C[C@@H]1c1ccccc1[N+](=O)[O-]	3163348	CBOKNANVTRCTJD-CBAPKCEASA-N	177.203	2.718	5	40	AFBB	
CC(C)CNc1ccc([N+](=O)[O-])cc1	21049772	MGFXEDUJKGYLLC-UHFFFAOYSA-N	194.234	2.663	5	40	AFBB	
Cc1nc2cccc([N+](=O)[O-])c2s1	1713669	HCEHJNNCXDXKMG-UHFFFAOYSA-N	194.215	2.513	5	40	AFBB	
C[C@H]1N=Nc2cc([N+](=O)[O-])ccc21	71254462	WSBALESTOVVPLV-RXMQYKEDSA-N	177.163	2.753	5	40	AFBB	
O=[N+]([O-])c1c(S)cccc1Cl	60023241	LDLFDPSNJMBFGU-UHFFFAOYSA-N	189.623	2.537	5	40	AFBB	
Cc1ccc([N+](=O)[O-])cc1NC(C)C	35223857	LHYOQKQVMYTNLB-UHFFFAOYSA-N	194.234	2.724	5	40	AFBB	
C[C@H]1CCCCC[N+]12CCCC2	1646421	ZFEMVASKPXLUME-NSHDSACASA-N	168.304	2.560	5	40	AFBB	
CC[N+]1(CC)C[C@H](C)C[C@@H](C)C1	90373121	HURFPPGERZMNDA-GHMZBOCLSA-N	170.320	2.519	5	40	AFBB	
Cc1cc2ccc([N+](=O)[O-])cc2o1	39414081	OARGPFUERLBQDJ-UHFFFAOYSA-N	177.159	2.649	5	40	AFBB	
C[C@@H]1CCCCC[N+]12CCCC2	4747949	ZFEMVASKPXLUME-LLVKDONJSA-N	168.304	2.560	5	40	AFBB	
CC[N+](C)(C)[C@H](C)c1ccccc1	1724269	HDOKKAIFLQXFTF-LLVKDONJSA-N	178.299	2.844	5	40	AFBB	
CC1=C[C@@H](C)[C@H](C[N+](C)(C)C)[C@@H](C)C1	4424413	BMJOTGJLAJOLGB-AGIUHOORSA-N	196.358	2.931	5	40	AFBB	
CCCC[N+]1(C)C[C@@H]2CC=CC[C@H]2C1	1677230	SMSZWBPHIXRRQJ-STQMWFEESA-N	194.342	2.829	5	40	AFBB	
O=[N+]([O-])c1cccc2ccsc12	715516	CDGUTXAPQVWGNU-UHFFFAOYSA-N	179.200	2.810	5	40	AFBB	
C[N+](C)([O-])C12CC3CC(CC(C3)C1)C2	5845886	IYWIVICINGQCIS-UHFFFAOYSA-N	195.306	2.529	5	40	AFBB	
Nc1nc2ccccc2c2ccccc12	31460423	FVCXJXKLDUJOFA-UHFFFAOYSA-N	194.237	2.970	5	40	AFBB	
CC(C)=C[C@@H]1[C@@H](C[N+](C)(C)C)C1(C)C	2102902	QLILVQDSMKJWQS-VXGBXAGGSA-N	196.358	2.931	5	40	AFBB	biogenic
CC(F)(F)c1ccccc1[N+](=O)[O-]	77011814	WAATWIWRTPMVAU-UHFFFAOYSA-N	187.145	2.707	5	40	AFBB	in-vitro
CC(C)C[N+]1(C)Cc2ccccc2C1	3635056	ZFMNAKYGWJSEHH-UHFFFAOYSA-N	190.310	2.803	5	40	AFBB	
CCc1c[nH]c2ccc([N+](=O)[O-])cc12	143986480	ZIRWJKIUEPRDEK-UHFFFAOYSA-N	190.202	2.639	5	40	AFBB	
CC(C)(c1ccccc1)[N+](C)(C)C	1555458	UQGRFGNSADNFSU-UHFFFAOYSA-N	178.299	2.628	5	40	AFBB	
CCc1cc([N+](=O)[O-])ccc1Cl	138190018	KLTVZRPJZKYWTP-UHFFFAOYSA-N	185.610	2.811	5	40	AFBB	
C/C=C\COc1ccc([N+](=O)[O-])cc1	4900502	HFZWOZLSGZTNMH-IHWYPQMZSA-N	193.202	2.550	5	40	AFBB	
c1cnc2cc3ncccc3cc2c1	3845537	RFGXNUXNXWMFRQ-UHFFFAOYSA-N	180.210	2.783	5	40	AFBB	
N#[N+]c1ccc(Cl)cc1[N+](=O)[O-]	4521468	PKGYYZYRNOVFKK-UHFFFAOYSA-N	184.562	2.733	5	40	AFBB	
C1CCC[N+]2(CC1)CCCCC2	1451700	HRRGWUPDHSNXDY-UHFFFAOYSA-N	168.304	2.561	5	40	AFBB	
CCc1cccc([N+](=O)[O-])c1CC	1688673	JWVFDOSCMSIWBR-UHFFFAOYSA-N	179.219	2.720	5	40	AFBB	
CC[C@@H](C)Nc1ccccc1[N+](=O)[O-]	21050822	XREOIGVTRISZBP-MRVPVSSYSA-N	194.234	2.805	5	40	AFBB	
O=[N+]([O-])c1ccc(C(F)F)s1	1857793678	FVRSTTHVSMMJSI-UHFFFAOYSA-N	179.147	2.594	5	40	AFBB	
Cc1ccc(C[N+](C)(C)C)c(C)c1	20356985	MCIOXGUCAXEHKB-UHFFFAOYSA-N	178.299	2.510	5	40	AFBB	
C[N+](C)(C)Cc1cc2ccccc2o1	494039	WWNSDXHFKXKTHT-UHFFFAOYSA-N	190.266	2.639	5	40	AFBB	
O=[N+]([O-])c1ccc(-c2ccccc2)o1	57476744	BOIIMUYDECZHCJ-UHFFFAOYSA-N	189.170	2.855	5	40	AFBB	
CC(C)(C)c1ccc(O)cc1[N+](=O)[O-]	19801506	DINMMUZPTWKFNH-UHFFFAOYSA-N	195.218	2.598	5	40	AFBB	
Cc1cc(C)c(C[N+](C)(C)C)c(C)c1	1555238	UKRUMBUOQYHIOJ-UHFFFAOYSA-N	192.326	2.818	5	40	AFBB	
Fc1cccc2cc3cccc[n+]3cc12	1713645	YKRHQAIHJWZQHU-UHFFFAOYSA-N	198.220	2.718	5	40	AFBB	
C[N+](C)(C)Cc1ccc(Cl)cc1	1664056	KIIIYXTYUZPBIF-UHFFFAOYSA-N	184.690	2.546	5	40	AFBB	
C/C(=C/c1ccccc1C)[N+](=O)[O-]	3073547	UGRWKHJLICNPPQ-CLFYSBASSA-N	177.203	2.633	5	40	AFBB	
C[C@H]1CCC[N+]2(CCCCC2)CC1	4747951	LXENMZCXIGMVPV-LBPRGKRZSA-N	182.331	2.807	5	40	AFBB	
CCCC[N+]1(C)C[C@H]2CC=CC[C@H]2C1	12402973	SMSZWBPHIXRRQJ-PBWFPOADSA-N	194.342	2.829	5	40	AFBB	
CC1=C[C@H](C)[C@@H](C[N+](C)(C)C)[C@H](C)C1	106533542	BMJOTGJLAJOLGB-YNEHKIRRSA-N	196.358	2.931	5	40	AFBB	
CC[N+](CC)(CC)C[Si](C)(C)C	195784157	PWNAEOFMCQJLCY-UHFFFAOYSA-N	188.411	2.740	5	40	AFBB	
C[C@@H]1C[C@@H]1c1ccccc1[N+](=O)[O-]	3163349	CBOKNANVTRCTJD-APPZFPTMSA-N	177.203	2.718	5	40	AFBB	
C/C(=C/c1sccc1C)[N+](=O)[O-]	3850482	XAIOJTJIVZHGIA-ALCCZGGFSA-N	183.232	2.694	5	40	AFBB	
Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1O	19801533	SYYSFGBSQBFNSL-UHFFFAOYSA-N	195.218	2.534	5	40	AFBB	
c1cnc2cc3cccnc3cc2c1	11535924	GDISDVBCNPLSDU-UHFFFAOYSA-N	180.210	2.783	5	40	AFBB	
CCCc1cccc([N+](=O)[O-])c1	2570688	DFYMEQJBQLOZGW-UHFFFAOYSA-N	165.192	2.547	5	40	AFBB	
CC1(C)C[N+](C)(Cc2ccccc2)C1	1726980	NJUGEYKQZLPDNV-UHFFFAOYSA-N	190.310	2.673	5	40	AFBB	
O=[N+]([O-])c1ccccc1CC1CC1	5514896	WIYRCNYKODTPEW-UHFFFAOYSA-N	177.203	2.547	5	40	AFBB	
O=[N+]([O-])c1ccc(C(F)F)c(F)c1	47203478	YCDXUPWJDHZXHV-UHFFFAOYSA-N	191.108	2.672	5	40	AFBB	
C[n+]1cccc2ccc3ccccc3c21	2541108	FFDQLKHTYULTRK-UHFFFAOYSA-N	194.257	2.818	5	40	AFBB	
CC[C@H](C)Nc1ccccc1[N+](=O)[O-]	21050831	XREOIGVTRISZBP-QMMMGPOBSA-N	194.234	2.805	5	40	AFBB	
O=[N+]([O-])c1cc(F)cc(Cl)c1F	95930271	KEZVSFPNJJNPHU-UHFFFAOYSA-N	193.536	2.526	5	40	AFBB	
O=[N+]([O-])c1cccc2c1[C@H]1C=C[C@@H]2C1	6093859	WDACAIAYIWOBAP-SFYZADRCSA-N	187.198	2.736	5	40	AFBB	
O=[N+]([O-])C=Cc1ccc(Cl)cc1	1857793050	GLJATYFHELDGEA-UHFFFAOYSA-N	183.594	2.587	5	40	AFBB	
O=[N+]([O-])c1ccc2[nH]cc(Cl)c2c1	22013149	VFIAOMIKIHVUKN-UHFFFAOYSA-N	196.593	2.730	5	40	AFBB	
CC[N+]1(CC)Cc2cccc(C)c2C1	1246395	ZIJCZZVLMPOXMK-UHFFFAOYSA-N	190.310	2.865	5	40	AFBB	
C[N+]1(C)CC=CC[C@H]1c1ccccc1	3198042	LJUPSYJKVKGLEJ-ZDUSSCGKSA-N	188.294	2.764	5	40	AFBB	
O=[N+]([O-])c1cccc(-c2ccco2)c1	5671443	ORTCGUMURUBCPP-UHFFFAOYSA-N	189.170	2.855	5	40	AFBB	
C/C(=C\[C@@H](C)c1ccccc1)[N+](=O)[O-]	1656065	LMLHPMRQZGAIEQ-NCXKZPMSSA-N	191.230	2.971	5	40	AFBB	
C/C=C/c1ccc([N+](=O)[O-])cc1	4590842	XEFDXKFPMZOEMV-NSCUHMNNSA-N	163.176	2.628	5	40	AFBB	
c1ccc2c(c1)ccc1nccnc12	1681124	YUFRAQHYKKPYLH-UHFFFAOYSA-N	180.210	2.783	5	40	AFBB	
Cc1ccc([N+](=O)[O-])c(Cl)c1C	117242751	LGVZYDQFUPEYNJ-UHFFFAOYSA-N	185.610	2.865	5	40	AFBB	
C[N+]12CCCc3cccc(c31)CCC2	1621764	MDWZIHPBIGDFDH-UHFFFAOYSA-N	188.294	2.516	5	40	AFBB	
CSc1cc(C)ccc1[N+](=O)[O-]	1722519	PSHOIEMEQBSIIG-UHFFFAOYSA-N	183.232	2.625	5	40	AFBB	
CC/C(=C/c1ccccc1)[N+](=O)[O-]	1602667	ZWVYQTKQQAYACO-NTMALXAHSA-N	177.203	2.714	5	40	AFBB	
CC(C)CNc1ccccc1[N+](=O)[O-]	20023038	XLGCTQLWXUOYSE-UHFFFAOYSA-N	194.234	2.663	5	40	AFBB	
Cc1cc2cc(C)c([N+](=O)[O-])cc2[nH]1	35326926	VNNOIJLJZVDIQN-UHFFFAOYSA-N	190.202	2.693	5	40	AFBB	
Fc1ccc2nc3ccccc3nc2c1	4933954	IAGQFKKPPASHTB-UHFFFAOYSA-N	198.200	2.922	5	40	AFBB	
CC[N+]1(CC)C[C@@H](C)C[C@H](C)C1	90373120	HURFPPGERZMNDA-QWRGUYRKSA-N	170.320	2.519	5	40	AFBB	
CCc1cc2cc([N+](=O)[O-])ccc2[nH]1	1719412	WRLFHXVSIGSOCA-UHFFFAOYSA-N	190.202	2.639	5	40	AFBB	
CC(C)=C[C@@H]1[C@H](C[N+](C)(C)C)C1(C)C	2102905	QLILVQDSMKJWQS-NEPJUHHUSA-N	196.358	2.931	5	40	AFBB	biogenic
O=[N+]([O-])c1c[nH]c2c(Cl)cccc12	73648001	WSDQTPKDSBLWAR-UHFFFAOYSA-N	196.593	2.730	5	40	AFBB	
O=[N+]([O-])c1ccc(F)cc1C(F)F	47203492	ADBUIWGABVQONJ-UHFFFAOYSA-N	191.108	2.672	5	40	AFBB	
Cc1ccc(C(C)C)c(O)c1[N+](=O)[O-]	34439946	CYUYOFIGNXMLPJ-UHFFFAOYSA-N	195.218	2.732	5	40	AFBB	
O=[N+]([O-])c1cc(F)ccc1C(F)F	47203488	JGLJIQJQYKADLK-UHFFFAOYSA-N	191.108	2.672	5	40	AFBB	
Fc1ccc2c[n+]3ccccc3cc2c1	1713648	RTVFPDUPKCXGAX-UHFFFAOYSA-N	198.220	2.718	5	40	AFBB	
Cc1cc(Cl)c(F)c([N+](=O)[O-])c1	64220103	GEWCFHQAVJUARY-UHFFFAOYSA-N	189.573	2.696	5	40	AFBB	
C[N+]1(Cc2ccccc2)CCCCC1	1598858	MJVQEAJNFJOTNB-UHFFFAOYSA-N	190.310	2.817	5	40	AFBB	
O=[N+]([O-])c1ccc2c(c1)CCCC=C2	16083254	IMGQDYNEIBCUDQ-UHFFFAOYSA-N	189.214	2.944	5	40	AFBB	
CC1=C[C@@H](C)[C@@H](C[N+](C)(C)C)[C@H](C)C1	106533543	BMJOTGJLAJOLGB-JHJVBQTASA-N	196.358	2.931	5	40	AFBB	
O=[N+]([O-])c1ccc2ccsc2c1	34581880	ZBWHFIUQUWBWLE-UHFFFAOYSA-N	179.200	2.810	5	40	AFBB	in-vitro
CC(C)=CC[N+]1(C)CCCCC1	1293470	OWDMPORMLCDLMM-UHFFFAOYSA-N	168.304	2.583	5	40	AFBB	
C[N+](C)(C)C1CCCCCCC1	5029977	WULNFMINZMIBRS-UHFFFAOYSA-N	170.320	2.806	5	40	AFBB	
CCCC[N+]1(C)Cc2ccccc2C1	1677225	YMLMVKIMQJMODR-UHFFFAOYSA-N	190.310	2.947	5	40	AFBB	
Cc1ccc([N+](=O)[O-])c(NC(C)C)c1	83823466	BDEBTWADHBUCSF-UHFFFAOYSA-N	194.234	2.724	5	40	AFBB	
CCSc1cccc([N+](=O)[O-])c1	21986361	DIAULDRPQLGWSI-UHFFFAOYSA-N	183.232	2.707	5	40	AFBB	
CC(C)(C)c1cccc([N+](=O)[O-])c1O	34410301	GNGBGYYGJIJQGM-UHFFFAOYSA-N	195.218	2.598	5	40	AFBB	
CC[N+](C)(C)[C@@H](C)c1ccccc1	6424750	HDOKKAIFLQXFTF-NSHDSACASA-N	178.299	2.844	5	40	AFBB	
O=[N+]([O-])c1ccc(Cl)c2cc[nH]c12	89204719	NDHBCNHRLXZLGN-UHFFFAOYSA-N	196.593	2.730	5	40	AFBB	in-vitro
CC[N+](C)(CC)Cc1ccccc1	1561901	IVFSNAWJLNNRKU-UHFFFAOYSA-N	178.299	2.673	5	40	AFBB	
C1=CC[C@H]2C[N+]3(CCCCC3)CC2=C1	1321707	MIJMSPDZMJWAOE-ZDUSSCGKSA-N	190.310	2.503	5	40	AFBB	biogenic
C[C@H]1C[C@H]1c1ccccc1[N+](=O)[O-]	3163346	CBOKNANVTRCTJD-IONNQARKSA-N	177.203	2.718	5	40	AFBB	
C[N+](C)(C)CCc1ccc(Cl)cc1	1598784	HFSROLTYSUHMBO-UHFFFAOYSA-N	198.717	2.589	5	40	AFBB	
O=c1cc[nH]c2c1ccc1ccccc12	2583871	TXJHJSRAIZDOMP-UHFFFAOYSA-N	195.221	2.681	5	40	AFBB	
C/C(=C/c1ccc(C)cc1)[N+](=O)[O-]	50752	JEKFDNFWPBWEKO-CLFYSBASSA-N	177.203	2.633	5	40	AFBB	
CCC[N+](C)(CCC)CCC	2572462	VFOJFWOVDZGATC-UHFFFAOYSA-N	158.309	2.663	5	40	AFBB	
Cc1ccc(NC(C)C)cc1[N+](=O)[O-]	35223827	VYOVRUMNTYRYAW-UHFFFAOYSA-N	194.234	2.724	5	40	AFBB	
CC(C)c1ccc([N+](=O)[O-])cc1F	38218633	MEKNILQFRBZDJJ-UHFFFAOYSA-N	183.182	2.857	5	40	AFBB	in-vitro
CC(C)=C[C@H]1[C@H](C[N+](C)(C)C)C1(C)C	2102903	QLILVQDSMKJWQS-RYUDHWBXSA-N	196.358	2.931	5	40	AFBB	biogenic
O=[N+]([O-])c1cc(S)ccc1Cl	2586004	IAYMABJPMMKXFR-UHFFFAOYSA-N	189.623	2.537	5	40	AFBB	
CC[N+]1(CC=C(C)C)CCCCC1	1245326	GJEYRVVMKNSXDV-UHFFFAOYSA-N	182.331	2.973	5	40	AFBB	
C/C(=C\[C@H](C)c1ccccc1)[N+](=O)[O-]	1656063	LMLHPMRQZGAIEQ-WKMLFNHBSA-N	191.230	2.971	5	40	AFBB	
Cc1cccc2cc3ccccc3c[n+]12	1713667	AVDQMHZPNUUWOK-UHFFFAOYSA-N	194.257	2.887	5	40	AFBB	
CCn1ccc2cc([N+](=O)[O-])ccc21	90459546	XOJVXYVKUFVBQE-UHFFFAOYSA-N	190.202	2.569	5	40	AFBB	
CC1=C[C@H](C)[C@H](C[N+](C)(C)C)[C@H](C)C1	1299940	BMJOTGJLAJOLGB-XQQFMLRXSA-N	196.358	2.931	5	40	AFBB	
CSc1ccc(/C=C/[N+](=O)[O-])cc1	100470	LMSZTOUHOKERPN-VOTSOKGWSA-N	195.243	2.656	5	40	AFBB	
O=[N+]([O-])c1cccc(C(F)F)c1F	47203476	LVPDSOXLXWWHNG-UHFFFAOYSA-N	191.108	2.672	5	40	AFBB	
CC(C)(C)Nc1cccc([N+](=O)[O-])c1	96316044	PLUOCINBYVQNEX-UHFFFAOYSA-N	194.234	2.805	5	40	AFBB	
C1CCC[N+]2(CCC1)CCCC2	1646420	GKFGKWOIXHJNPX-UHFFFAOYSA-N	168.304	2.561	5	40	AFBB	
CC[N+]1(CC)[C@@H](C)CCC[C@H]1C	17951653	YWZGBJRUJMCHLS-PHIMTYICSA-N	170.320	2.804	5	40	AFBB	
Cc1cc(Cl)cc(C)c1[N+](=O)[O-]	59080041	IRVUFOGXUJFQDK-UHFFFAOYSA-N	185.610	2.865	5	40	AFBB	
CC1=C[C@H](C)[C@H](C[N+](C)(C)C)[C@@H](C)C1	4424405	BMJOTGJLAJOLGB-AVGNSLFASA-N	196.358	2.931	5	40	AFBB	
c1cnc2c(c1)cnc1ccccc12	39223646	DXWXJWBEPBDZMZ-UHFFFAOYSA-N	180.210	2.783	5	40	AFBB	
CC[N+]1(CC)C[C@@H](C)C[C@@H](C)C1	90373119	HURFPPGERZMNDA-PHIMTYICSA-N	170.320	2.519	5	40	AFBB	
CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1	5500011	QOBVERLJVQAUPG-QMMMGPOBSA-N	194.234	2.805	5	40	AFBB	
c1ccc2c(c1)C[N+]1(CCCCC1)C2	1241794	JPYLJGUZJUJOLR-UHFFFAOYSA-N	188.294	2.701	5	40	AFBB	
O=[N+]([O-])c1cc(F)cc(C(F)F)c1	47203486	JRQUPPMRQIWAIR-UHFFFAOYSA-N	191.108	2.672	5	40	AFBB	
CC1=C[C@@H](C)[C@H](C[N+](C)(C)C)[C@H](C)C1	4424408	BMJOTGJLAJOLGB-UPJWGTAASA-N	196.358	2.931	5	40	AFBB	
O=[N+]([O-])c1cccc2cc(Cl)[nH]c12	59608022	JYBUPTYYZSEHLA-UHFFFAOYSA-N	196.593	2.730	5	40	AFBB	
C/C=C/COc1ccc([N+](=O)[O-])cc1	1556226	HFZWOZLSGZTNMH-NSCUHMNNSA-N	193.202	2.550	5	40	AFBB	
CC[N+]1(CC)Cc2ccccc2C1	64220181	DBPAZOXKWZQWKB-UHFFFAOYSA-N	176.283	2.557	5	40	AFBB	
CCCCc1ccc(N)cc1[N+](=O)[O-]	71404321	CPIPXAUOBLEFFO-UHFFFAOYSA-N	194.234	2.520	5	40	AFBB	
O=[N+]([O-])c1ccc(C(F)F)cc1F	47203485	AFFPEEJNSFMVRR-UHFFFAOYSA-N	191.108	2.672	5	40	AFBB	
C[C@@H]1C[C@H]1c1ccccc1[N+](=O)[O-]	3163347	CBOKNANVTRCTJD-VXNVDRBHSA-N	177.203	2.718	5	40	AFBB	
CC1(c2ccc([N+](=O)[O-])cc2)CC1	1441560	GDSHKRFBTKLMRH-UHFFFAOYSA-N	177.203	2.646	5	40	AFBB	
Cc1ccc(C)c([N+](=O)[O-])c1Cl	59080031	DFKWXXILDUNDDF-UHFFFAOYSA-N	185.610	2.865	5	40	AFBB	
C[N+]1(C)CC=CC[C@@H]1c1ccccc1	1585447	LJUPSYJKVKGLEJ-CYBMUJFWSA-N	188.294	2.764	5	40	AFBB	
CCCC[N+]1(C)C[C@H]2CC=CC[C@@H]2C1	1677229	SMSZWBPHIXRRQJ-CHWSQXEVSA-N	194.342	2.829	5	40	AFBB	
CCc1ccc([N+](=O)[O-])c(CC)c1	20232301	OSZWPSNUUXGHIC-UHFFFAOYSA-N	179.219	2.720	5	40	AFBB	
C[C@@H]1CCC[N+]2(CCCCC2)CC1	1646423	LXENMZCXIGMVPV-GFCCVEGCSA-N	182.331	2.807	5	40	AFBB	
C[N+]1(C)Cc2cc3ccccc3cc2C1	1261484	ZKRBJEJZLNXPMN-UHFFFAOYSA-N	198.289	2.930	5	40	AFBB	
Cc1cccc(C)c1/C=C/[N+](=O)[O-]	2519278	BMWXALXCXAXAPU-VOTSOKGWSA-N	177.203	2.551	5	40	AFBB	
[O-][n+]1cccc2c3ccccc3ccc21	3852464	DKQBDZRIEMVCDX-UHFFFAOYSA-N	195.221	2.626	5	40	AFBB