smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H]1O[C@@H](n2c3ccc(Cl)cc3c3ccc4c5ccccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O	85599966	LBDPGQPRGMVQFN-HHTRDJEISA-N	436.895	4.082	5	1	IIBF	
CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)CN(C)C	4213305	SIEIHEVXROWHPH-PNHOKKKMSA-N	438.956	4.328	5	1	IIBF	
CS(=O)(=O)c1ccc(-n2nc(COc3cccc([N+](=O)[O-])c3)cc2-c2ccccc2)cc1	13585675	JTASBVPEDOWYBH-UHFFFAOYSA-N	449.488	4.430	5	1	IIBF	
O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccccc1[N+](=O)[O-]	96167969	PKKSAEXXNYVOPT-UHFFFAOYSA-N	430.417	4.179	5	1	IIBF	
O=[N+]([O-])c1cccnc1NCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	587268516	BHRSRKBRQMAYNX-UHFFFAOYSA-N	432.156	4.139	5	1	IIBF	
COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@@H](O)CCCCC(C)C)cccc3nc12	40954699	KWXXXQCBEMOCFC-LEWJYISDSA-N	438.524	4.404	5	1	IIBF	biogenic
CCCCNc1ncc(C(=O)NCCc2ccccc2OC)c(-c2cccc([N+](=O)[O-])c2)n1	82135940	UJTJHVVXJYCSPG-UHFFFAOYSA-N	449.511	4.245	5	1	IIBF	
Cc1ccc(CCNc2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1	82149311	RSMVBFPGAXQXGU-UHFFFAOYSA-N	431.496	4.155	5	1	IIBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	587267668	OSZISBFMRKCODG-SSDOTTSWSA-N	434.172	4.246	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1	587747986	RCHCENKJSVCDGR-FKIZINRSSA-N	445.292	4.056	5	1	IIBF	
Cn1c2ccccc2c2c3c(cccc31)c1cc(/C=C/C(=O)N3CCOCC3)ccc1[n+]2C	13675624	MSFKZNOBXNRNJW-ACCUITESSA-N	436.535	4.334	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587568867	OHOZVNBGIFMLEJ-AVRDEDQJSA-N	425.368	4.325	5	1	IIBF	
COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OC	587747882	SROTVXMILPTQDL-HUTHGQBESA-N	425.254	4.137	5	1	IIBF	
Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	586941785	WPNQILWKQWZALS-KHPPLWFESA-N	429.505	4.058	5	1	IIBF	
O=[N+]([O-])c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	586957501	BXCPRKQZTZXASO-GKCIPKSASA-N	426.498	4.166	5	1	IIBF	
Cc1c(Br)cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1C	587116225	AAIHALVCVFHCSH-UHFFFAOYSA-N	432.200	4.422	5	1	IIBF	
COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587749021	ZOCUTZIYPXEVBW-YYSFKGJASA-N	425.254	4.008	5	1	IIBF	
CCN(C)c1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1	105175944	DRROAMXDQYDGDM-JKTDJZPLSA-N	437.544	4.308	5	1	IIBF	
O=C1C[C@@H]2OCC=C3C[N@+]4(CC5CCCCC5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64	299812693	LUKZBVLMTSSIFN-VRJZGZEMSA-N	431.600	4.188	5	1	IIBF	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1	587048717	MBGSIWFAHAKRFQ-UHFFFAOYSA-N	429.864	4.434	5	1	IIBF	
O=C(NCc1ccc2c(c1)CN(c1ccc(F)cc1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1857766842	XUMZEFHLXPKSFY-UHFFFAOYSA-N	436.399	4.092	5	1	IIBF	
CC(C)c1ccc2nc3ccc(C(=O)NCCCCCCc4cncnc4)cn3c(=O)c2c1	27524918	XMGWUMLCQPDZIO-UHFFFAOYSA-N	443.551	4.294	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccnc(Cl)c2[nH]1	586949542	YFYGEHAOTOXBGL-UHFFFAOYSA-N	443.872	4.296	5	1	IIBF	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O	587332170	FLRXKDSWFNQYKM-NFBKMPQASA-N	439.395	4.428	5	1	IIBF	
CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C	4213299	SIEIHEVXROWHPH-VHKYSDTDSA-N	438.956	4.328	5	1	IIBF	
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccnc3)CCC1CC2)(c1ccccc1)N1CCCCC1	73196762	ZZAVQSJREUCADH-XUGYUHTKSA-N	448.631	4.178	5	1	IIBF	
CN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4cc(F)ccc4c3c2c1=O	39365320	SCZAVLMLUROKQX-UHFFFAOYSA-N	431.423	4.189	5	1	IIBF	
C[N+](C)(CCNC(=O)c1cccc2cc3ccccc3nc12)Cc1ccc([N+](=O)[O-])s1	5822966	PFQNRRZXGGMYKN-UHFFFAOYSA-O	435.529	4.364	5	1	IIBF	
CCCCn1c(=O)c2cc(NCCN(C)C)ccc2c2cnc3cc4c(cc3c21)OCO4	40421771	BKEDARFGTIXHAP-UHFFFAOYSA-N	432.524	4.205	5	1	IIBF	
CCN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1	82136196	BMBQSANQSPACPF-UHFFFAOYSA-N	439.903	4.452	5	1	IIBF	
CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc([N+](=O)[O-])c1Cl	586927077	SKYLAJGBYLGWLS-UHFFFAOYSA-N	437.758	4.353	5	1	IIBF	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cs1	587019112	GORRSCFODLATPA-UHFFFAOYSA-N	439.413	4.071	5	1	IIBF	
CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc([N+](=O)[O-])c3[nH]2)CC1	587091314	IKPNRKQSOVGABR-UHFFFAOYSA-N	444.410	4.276	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc([N+](=O)[O-])cc2)N1	587746453	JZKAPRLTIXJNDO-VXBHKPKKSA-N	434.309	4.350	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1nc([N+](=O)[O-])cc1C	587865601	CQNLDMLGOFRXKT-UHFFFAOYSA-N	437.378	4.111	5	1	IIBF	
CCCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1	82216878	TWNBEPAGCDZCMU-UHFFFAOYSA-N	437.475	4.375	5	1	IIBF	
Cc1cc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1[N+](=O)[O-]	587661419	NWLSFBZJDCDFHN-UHFFFAOYSA-N	433.395	4.138	5	1	IIBF	
Cc1cccnc1[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21	962732192	XZVWSJWTBQJKQB-UGKGYDQZSA-N	441.409	4.236	5	1	IIBF	
Cc1onc(-c2nc3cc(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080447	VNELCFRNUOMYFW-UHFFFAOYSA-N	437.641	4.095	5	1	IIBF	
O=C(CN1C(=O)S/C(=C\c2sc(Cl)nc2Cl)C1=O)c1ccc([N+](=O)[O-])cc1	28650513	FRKYBHLPKWMNCI-WZUFQYTHSA-N	444.277	4.277	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(N)c2c1	587621476	UKARTXYPXCVFPQ-UHFFFAOYSA-N	438.465	4.135	5	1	IIBF	
c1ccn2c(N3CCCC3)[n+]3c4ccccc4n4c(N5CCCC5)[n+]5ccccc5c4c3c2c1	31897998	UYPGVLKECXROKF-UHFFFAOYSA-N	448.574	4.023	5	1	IIBF	
C[C@@H](OC(=O)Nc1nc(OCc2ccccc2)c2nc[nH]c2n1)c1ccc([N+](=O)[O-])cc1	73390228	SBGHBPWTRMPXSY-CYBMUJFWSA-N	434.412	4.150	5	1	IIBF	
O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCN1	103204980	BGMLWWCIIYZKLD-SFHVURJKSA-N	439.578	4.053	5	1	IIBF	
CCOc1cc([C@H]2NC(=O)N=C(c3cccnc3)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O	169702719	ADNUWBLFRFEGIQ-PZJWPPBQSA-N	432.436	4.132	5	1	IIBF	
Cc1c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)nnn1Cc1ccc(Br)cc1	587280039	YXZNIXSKCYBTMP-UHFFFAOYSA-N	441.241	4.283	5	1	IIBF	
COc1cccc2cc(-c3csc(NC(=O)Nc4cccc([N+](=O)[O-])c4)n3)c(=O)oc12	261133925	LRAIHDFVZAJJCC-UHFFFAOYSA-N	438.421	4.477	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1	587750216	HFQDMZJHJJVIPK-LZVRBXCZSA-N	432.249	4.374	5	1	IIBF	
O=C1NC(=O)c2c1c1c3ccc(C(F)(F)F)cc3[nH]c1c1c2c2cccc3c2n1CCNC3	14945562	BMOCFBZBVQDGBM-UHFFFAOYSA-N	448.404	4.435	5	1	IIBF	
CC(=O)NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1	28898819	TZULVOQMJGKZTP-UHFFFAOYSA-N	446.939	4.005	5	1	IIBF	
CC(C)(C)NC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1	35902336	DTHMAIBRMAAIJG-UHFFFAOYSA-N	443.934	4.186	5	1	IIBF	
N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1	587258998	CKBWAHBECQYOSH-IBGZPJMESA-N	440.507	4.366	5	1	IIBF	
CCCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br	587259934	JBWTXYQRAQFMLT-RWMBFGLXSA-N	438.322	4.165	5	1	IIBF	
CCN(CC)Cc1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621106	OJPGOAPYDMEAOP-UHFFFAOYSA-N	446.529	4.036	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1	587750282	HJFDRQISNLZTMJ-RNODOKPDSA-N	445.292	4.171	5	1	IIBF	
O=[N+]([O-])c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1[N+](=O)[O-]	586983787	CFRVFVHRJDMOKR-QGZVFWFLSA-N	446.261	4.327	5	1	IIBF	
O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(CO)oc2cc(Br)cnc12	587275510	CLBLFLFOSWTKMU-UHFFFAOYSA-N	443.209	4.482	5	1	IIBF	
CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	2478213	IYUBXAZVCGNNTD-UHFFFAOYSA-N	427.388	4.315	5	1	IIBF	
CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCOC	4214614	VOHTXMFWNJWHLA-RTBURBONSA-N	425.913	4.415	5	1	IIBF	
O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1	586999850	JGPDXHNEEWHMES-UHFFFAOYSA-N	436.605	4.366	5	1	IIBF	
O=C(O)C[C@@H](c1c(O)c2ccccc2oc1=O)c1cc(=O)oc2c1ccc1ccccc12	1857634064	WVHBXYIALLQZLS-GOSISDBHSA-N	428.396	4.365	5	1	IIBF	
COc1cc2cc(CN3CCCC[C@H]3CO)c3cc(OC)c(OC)cc3c2cc1OC	103175481	NJNWZSQWZHPFLJ-SFHVURJKSA-N	425.525	4.374	5	1	IIBF	
Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc2cc1[N+](=O)[O-]	587238087	AREMPYVIFKZCPM-NYFKNOIKSA-N	430.505	4.335	5	1	IIBF	
CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587746333	MRZSDJTXWRHTBD-HUTHGQBESA-N	425.254	4.224	5	1	IIBF	
CCc1c(CN2CCCc3ccccc32)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O	72177699	HEPBXXNGHGJFPF-UHFFFAOYSA-N	436.537	4.486	5	1	IIBF	
O=[N+]([O-])c1cncc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12	587178439	BIQBSXDMNAOHLW-UHFFFAOYSA-N	434.115	4.157	5	1	IIBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1	587268770	DTNULTKRPZSUDO-UHFFFAOYSA-N	432.234	4.409	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1)CC2=O	587468794	DLSFOHBOBAYIEP-QHCPKHFHSA-N	440.496	4.168	5	1	IIBF	
C[C@@](O)(CSc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857592441	JGEITDDJBCVTLM-MRXNPFEDSA-N	436.358	4.374	5	1	IIBF	
CCOC(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587578365	WMAHSYYHFUJBJK-ZJSXRUAMSA-N	449.415	4.111	5	1	IIBF	
CCCCNc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccc([N+](=O)[O-])cc2)n1	82149838	QZTKMPBMJNUUCH-UHFFFAOYSA-N	449.511	4.245	5	1	IIBF	
CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1O	101598204	QWIZWBDBKSYVMF-LJQANCHMSA-N	430.457	4.459	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1	587261477	BYTVIVDMRYVURD-GFCCVEGCSA-N	439.403	4.147	5	1	IIBF	
CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587572912	AHULPCKRBWIVKA-QPPBQGQZSA-N	449.415	4.111	5	1	IIBF	
COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c([N+](=O)[O-])c1	13587570	UWQKSXFJZSTDPS-UHFFFAOYSA-N	440.886	4.359	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(Cc1ccccc1[N+](=O)[O-])CC2=O	587473712	ZYSRFRYDZARMNW-HSZRJFAPSA-N	427.453	4.153	5	1	IIBF	
CCN(CC)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620879	IIBHSRGKROKESY-UHFFFAOYSA-N	432.502	4.040	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1	587748785	WKDRHXCCSBOISE-XUAOIPRYSA-N	435.249	4.024	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1	587748786	WKDRHXCCSBOISE-YAVQKDKNSA-N	435.249	4.024	5	1	IIBF	
CC(C)CN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1	82216947	BQPPATIWHBKCJB-IAGOWNOFSA-N	425.533	4.262	5	1	IIBF	
Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc12	587037375	IHRVALMEQOBGOJ-LBPRGKRZSA-N	441.520	4.407	5	1	IIBF	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587232982	GZOCQWFTTRNKMS-ONGXEEELSA-N	425.283	4.394	5	1	IIBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1	587274891	OPFGTJKQOMOYPA-UHFFFAOYSA-N	430.346	4.143	5	1	IIBF	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc([N+](=O)[O-])cc4)nc4ccccn14)[C@@H](C2)C3=O	587433124	OHOOCLRPJVAHSK-BXKMTCNYSA-N	427.416	4.407	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1	587747989	RCHCENKJSVCDGR-YUNKPMOVSA-N	445.292	4.056	5	1	IIBF	
CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(NCCc3c2c(C(C)C)nn3C)c2ccc(O)cc2O1	962918485	IZKZCKOYZVJOBA-RUZDIDTESA-N	446.507	4.370	5	1	IIBF	
Nc1ccc2c(c1)oc1c(NCCc3ccccc3)c(F)cc3c(=O)c(C(=O)O)cn2c13	1772600132	MJIBSZHMULOKQW-UHFFFAOYSA-N	431.423	4.273	5	1	IIBF	
CN(C)C1=Nc2ccccc2[C@H](CC(=O)NCc2ccc([N+](=O)[O-])cc2)N1c1ccccc1	49844827	HCOLRSVHDDZVKO-QHCPKHFHSA-N	443.507	4.412	5	1	IIBF	in-vivo
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2cccc(F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723527	KMNDOCKUJXUOGX-PZJWPPBQSA-N	440.427	4.099	5	1	IIBF	
CC[C@H](C)CCC[C@H](O)[C@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12	40424401	BNLCCYULJSGXCA-ONGXBYRLSA-N	438.524	4.404	5	1	IIBF	biogenic
CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)C(C)(C)[N@@+](C)([O-])[C@@H]1c1ccccc1	253854756	SIBBRESKFMTZJN-IBVKSMDESA-N	433.549	4.030	5	1	IIBF	
CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1	587140494	HDURXMNQQOMSNS-HNNXBMFYSA-N	440.884	4.329	5	1	IIBF	
CC(C)COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br	587260687	ZBWMDXTUOLDTSB-FRRDWIJNSA-N	438.322	4.021	5	1	IIBF	
O=C1c2ccc(O)cc2OC2(CCN(c3ncccc3[N+](=O)[O-])CC2)[C@H]1c1ccc(F)cc1	587339449	UFTSGRIWZWMVRX-NRFANRHFSA-N	449.438	4.233	5	1	IIBF	
CCO[C@@H](C)Oc1cc2ncnc(Nc3ccc(C)c([N+](=O)[O-])c3)c2c2c1OCCO2	653905734	HWZKUDPVOFVABK-CYBMUJFWSA-N	426.429	4.123	5	1	IIBF	
O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1)C(F)(F)F	962727744	AONJJWDUEBNFSI-HIFRSBDPSA-N	434.292	4.229	5	1	IIBF	
COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C[C@H]1C(C)(C)[C@@H]2CC[C@@]1(C)O2	14637781	RCBJTBFVHREOHR-LLJLJFOGSA-N	426.465	4.208	5	1	IIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3[nH]1)(c1ccc([N+](=O)[O-])cc1)O2	587391754	YHPWCVUYZAAHAZ-XMMPIXPASA-N	428.448	4.465	5	1	IIBF	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc([N+](=O)[O-])cc1Br	587657494	WHGZKSUVHMXCOO-UHFFFAOYSA-N	441.216	4.258	5	1	IIBF	
O=C(O)CCN(CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)Cc1ccccc1	587193362	IIJMUPOAHASEMO-UHFFFAOYSA-N	425.492	4.179	5	1	IIBF	
CN1CCc2c(Br)cccc2[C@H]1c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	963270671	QLRGQMIUACPIMZ-FQEVSTJZSA-N	427.302	4.335	5	1	IIBF	
CN(CC(=O)OCCC1CCCCC1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085837	AWNSZQRHQBDHFN-UHFFFAOYSA-N	431.514	4.304	5	1	IIBF	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1	587047892	BTXNCHZFOXBWOE-UHFFFAOYSA-N	429.864	4.434	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1	587749773	FSJHTSMDSIRHNI-HOGDKLEQSA-N	432.249	4.374	5	1	IIBF	
O=c1ccc2nc3ccc(OCc4ccc(I)cc4)cc3oc-2c1	199627530	BFNQDADPMSFZAZ-UHFFFAOYSA-N	429.213	4.476	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1	587749775	FSJHTSMDSIRHNI-ZRNGKTOUSA-N	432.249	4.374	5	1	IIBF	
N[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C1CC1	587255713	OIXUJAPEYRRCRT-HSZRJFAPSA-N	441.443	4.255	5	1	IIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(C(=O)O)c4)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587434374	UETMFOZRUVWJMT-FDDCHVKYSA-N	431.400	4.457	5	1	IIBF	
COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)[C@H](O)[C@H]1CCCN1C3	14649170	NYKPXBAWFYIQBH-UZUQRXQVSA-N	439.508	4.047	5	1	IIBF	biogenic
CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)CC2=O	587463888	ZPTGQIKBOWDJGV-SFHVURJKSA-N	431.832	4.451	5	1	IIBF	
CS(=O)(=O)c1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1Cl	586926268	MRIGHFORYMUBGL-UHFFFAOYSA-N	435.767	4.094	5	1	IIBF	
CSc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	1772608383	PCAKINKSZLIGQG-UHFFFAOYSA-N	432.465	4.212	5	1	IIBF	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82149789	UHINQPHFJGMDQG-HDICACEKSA-N	445.523	4.464	5	1	IIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587262199	GALFXWUTPVDLFE-SZEHBUNVSA-N	434.212	4.005	5	1	IIBF	
CCCCOc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br	587266405	WATFYSFYTYYICU-ZDUSSCGKSA-N	449.305	4.361	5	1	IIBF	
O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	1857564301	IDVJVALZCBHNHO-KBPBESRZSA-N	446.376	4.155	5	1	IIBF	
CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1nn(C)cc1[N+](=O)[O-]	587389154	JIOQZJRIQROAQS-IBGZPJMESA-N	438.440	4.116	5	1	IIBF	
COc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1[N+](=O)[O-]	587577540	SKEGTHZAPSFAIV-WMZHIEFXSA-N	432.388	4.493	5	1	IIBF	
CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCC1CCCCC1	82082158	PSLNQQUJFQWLPI-IBGZPJMESA-N	444.557	4.169	5	1	IIBF	
COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC(C)C)c([N+](=O)[O-])cc1OC	773750	LXRSAAOAPVZRQQ-UHFFFAOYSA-N	429.404	4.211	5	1	IIBF	
O=c1c([C@@H](Nc2ccccc2[N+](=O)[O-])c2nnnn2C2CCCCC2)coc2ccccc12	103267733	AESZMXNIHRYYAO-OAQYLSRUSA-N	446.467	4.394	5	1	IIBF	
COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccc([N+](=O)[O-])cc3[nH]1)C(=O)OC2	586915627	PBZLRMDNSHPBSF-UUILKARUSA-N	437.452	4.286	5	1	IIBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	587267726	PLYZLINLRVTWBH-SSDOTTSWSA-N	434.172	4.246	5	1	IIBF	
O=C(Cc1ccccc1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1	1857610132	ZYGOJUVPOLZRCT-HSZRJFAPSA-N	444.491	4.255	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@H](OC)[C@@H](C)/C=C/CC(=O)OC	8019131	ODXWPZBXBHPTPI-COIVBBLUSA-N	439.505	4.096	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@@H](c3ccco3)C2)cc1	31905899	XMKNEKNCBQOPCV-LJQANCHMSA-N	427.438	4.163	5	1	IIBF	
O=[N+]([O-])c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	586957503	BXCPRKQZTZXASO-UAOJZALGSA-N	426.498	4.166	5	1	IIBF	
COc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1OC	587054372	KFSHVLDDUYUCIS-GOSISDBHSA-N	432.864	4.269	5	1	IIBF	
COC(=O)c1cc(CCCCCCCNc2ccc([N+](=O)[O-])c3nonc23)sc1N	1772640535	IIXSAYMSJRANJU-UHFFFAOYSA-N	433.490	4.166	5	1	IIBF	
CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587746340	MRZSDJTXWRHTBD-XLFHBGCDSA-N	425.254	4.224	5	1	IIBF	
CCCCNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1	82135578	QBQUPQCSWDJMIJ-UHFFFAOYSA-N	437.475	4.375	5	1	IIBF	
CC(C)OC(=O)[C@@H]1C(C(C)C)=NC(=O)N(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	169730110	RWSBQRWSUJGFGX-AEFFLSMTSA-N	433.461	4.281	5	1	IIBF	
O=C(O[C@H]1C[N+]2(C/C=C/c3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1ccco1	113052621	YFGXVTSBNYARIS-HRNXPIIASA-N	444.551	4.381	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1ncc([N+](=O)[O-])c1C	587865855	MCOFPSZKRJTGMN-UHFFFAOYSA-N	437.378	4.111	5	1	IIBF	
CCN(CC)CCNC(=O)c1cc(I)cc2cc3ccccc3nc12	40380333	DXISLFWNKJKSMQ-UHFFFAOYSA-N	447.320	4.064	5	1	IIBF	
O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCO1	103215616	MEKWBYSWMSPJDL-SFHVURJKSA-N	440.562	4.480	5	1	IIBF	
COc1cc2c(cc1OC)[C@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])N(C)[C@H](C)C2	962635732	MICWPWGSNKYOFI-DMZKTXOQSA-N	447.919	4.386	5	1	IIBF	
CCN(CC)CCNC(=O)c1cccc2cc3cc(I)ccc3nc12	40848930	JJIUNBCSAZLLJV-UHFFFAOYSA-N	447.320	4.064	5	1	IIBF	
O=[N+]([O-])c1cnc2ccc(Br)cc2c1-n1cc(COc2ccccc2)nn1	103271670	GBJSIWBKHMSXKC-UHFFFAOYSA-N	426.230	4.065	5	1	IIBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3nc(Cl)cnc3Br)[nH]c12	587005410	HVELFUGBJKZBHY-UHFFFAOYSA-N	433.447	4.107	5	1	IIBF	
COc1cc2c3c(c1)O[C@](CC(=O)Nc1ccccc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O	587432703	KXINQCJPGHYENG-NBGIEHNGSA-N	444.443	4.275	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2	72122918	KXRPXNFKLZYNKS-SFHVURJKSA-N	449.385	4.334	5	1	IIBF	
COc1ccccc1C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)cc1	1857610259	JOIPXSFOIPLTRU-UHFFFAOYSA-N	431.408	4.248	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587568870	OHOZVNBGIFMLEJ-XMSQKQJNSA-N	425.368	4.325	5	1	IIBF	
Cc1c(-c2ccccc2)nnc(NCCSCc2ccc(CN(C)C)o2)c1[N+](=O)[O-]	1772611258	MSJNFKAPNQYNLY-UHFFFAOYSA-N	427.530	4.360	5	1	IIBF	
CCCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br	587259931	JBWTXYQRAQFMLT-AGIUHOORSA-N	438.322	4.165	5	1	IIBF	
COc1ccc(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-]	587661596	RWOCAAJGTOWAPH-UHFFFAOYSA-N	433.395	4.002	5	1	IIBF	
CCOC(=O)N1C(C(F)(F)F)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1ccccc1[N+](=O)[O-]	26493385	VVNNIDBFXIMJFS-HNNXBMFYSA-N	443.378	4.294	5	1	IIBF	
COc1ccc(CCNCCCCCCNCCc2cccc([N+](=O)[O-])c2)cc1OC	45193904	NQTYAIOOQXEGAV-UHFFFAOYSA-N	429.561	4.137	5	1	IIBF	
Cc1cccc2c(O)c3c(NCc4cccnc4)ccc(C(=O)NCCCN(C)C)c3nc12	299871748	ZDTOAAPDAXSUJS-UHFFFAOYSA-N	443.551	4.091	5	1	IIBF	
CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	774191	KXXZXOZTQPPDKB-AWEZNQCLSA-N	445.859	4.080	5	1	IIBF	
COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)N(C)C)cc2NC3=O)ccc1[N+](=O)[O-]	34072671	FDMSWGUJFDPKLS-UHFFFAOYSA-N	446.463	4.210	5	1	IIBF	in-vitro
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(I)cnc4[nH]3)c2)c1	587269869	IEOXHOPSKJYZCK-UHFFFAOYSA-N	443.204	4.200	5	1	IIBF	
Cc1ccc(OC[C@@]2(C(C)(C)C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c([N+](=O)[O-])c1	963221845	FVXSMOIHJFXLAE-NBGIEHNGSA-N	449.507	4.371	5	1	IIBF	
CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCc1ccccc1F	775970	IFESIOTUUUPKCS-UHFFFAOYSA-N	441.415	4.345	5	1	IIBF	
Cc1nn(Cc2ccccc2-c2nc3c(Br)ccnc3[nH]2)c(C)c1[N+](=O)[O-]	587264236	DJYVSZVOEZXMMW-UHFFFAOYSA-N	427.262	4.157	5	1	IIBF	
O=C(O)c1cc(Br)cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12	587269405	MYQYVJLBWUTROX-UHFFFAOYSA-N	431.246	4.199	5	1	IIBF	
Cc1cccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1	96167954	XMQFSSHNSMTFMU-UHFFFAOYSA-N	426.454	4.348	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1	587750909	KKIWCHCSUMRJCD-XCLFUZPHSA-N	445.292	4.171	5	1	IIBF	
COC(=O)c1cc2c(cc1OC)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2	29125650	LBQSENNSTBCYSO-UHFFFAOYSA-N	449.419	4.375	5	1	IIBF	
CCN(C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1	82135981	ARWOLSYXFAFEMP-UHFFFAOYSA-N	425.876	4.409	5	1	IIBF	
N[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586983977	LUTCTUBQDYZCSC-LLVKDONJSA-N	440.095	4.239	5	1	IIBF	
Cc1csc([C@](O)(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)C(F)(F)F)n1	587092695	AFYUTRBOHCIIPA-LJQANCHMSA-N	429.427	4.417	5	1	IIBF	
CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)C(C)(C)[N@+](C)([O-])[C@@H]1c1ccccc1	253854753	SIBBRESKFMTZJN-FQRUVTKNSA-N	433.549	4.030	5	1	IIBF	
COc1ccc(Nc2ncnc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(n[nH]c2C)O3)cc1	1772646934	KITUOODSRRQJGX-SFHVURJKSA-N	430.424	4.454	5	1	IIBF	
O=C1c2ccccc2C[C@@]23C4=C(NCCC4=NC[C@H]12)c1nccc2c1c3nc1ccccc12	2356848622	PGWPQBKCTVOMEI-GDJIYFAZSA-N	428.495	4.249	5	1	IIBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	587269573	FLCAXIDEYBUFDU-LBPRGKRZSA-N	429.196	4.495	5	1	IIBF	
COC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccc([N+](=O)[O-])c1	587623382	RQZLXKGCAIEVFB-UHFFFAOYSA-N	429.230	4.097	5	1	IIBF	
COc1cccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c1	96167992	ZUGHALSHLSNLHR-UHFFFAOYSA-N	442.453	4.048	5	1	IIBF	
Cc1c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2	587028847	AIGROIJXXYKHMG-UHFFFAOYSA-N	446.286	4.383	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1	587748784	WKDRHXCCSBOISE-FVEXXERHSA-N	435.249	4.024	5	1	IIBF	
C[N+]1(CCC(=O)Nc2ccc3nc4c5[nH]c6ccccc6c5ccn4c(=O)c3c2)CCCC1	96258309	BDUDWPYTOJWNKS-UHFFFAOYSA-O	440.527	4.051	5	1	IIBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2cccs2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723554	PZOXTGHVURODSB-IEBWSBKVSA-N	428.466	4.021	5	1	IIBF	
Fc1ccc(-n2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1	103247840	LLVNBYPCHDXBDR-UHFFFAOYSA-N	438.510	4.430	5	1	IIBF	
Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2cc1[N+](=O)[O-]	587238090	AREMPYVIFKZCPM-YOKWENHESA-N	430.505	4.335	5	1	IIBF	
COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1ccc([N+](=O)[O-])n1	587511648	HZORHVZANULMRC-QFIPXVFZSA-N	433.464	4.434	5	1	IIBF	
Cc1ccc(NC(=S)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1	653804986	JMDGKQGNIDNIPY-OAQYLSRUSA-N	439.497	4.139	5	1	IIBF	
CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2nc3sc4c(c3c(=S)n12)CCCC4	64564460	VNBLVLKGCGATHI-UHFFFAOYSA-N	425.495	4.454	5	1	IIBF	
CN(CC(=O)OCCC1CCCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085777	KERFCXAXSFGLEC-UHFFFAOYSA-N	431.514	4.304	5	1	IIBF	
CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C)c([N+](=O)[O-])cc2[nH]1	587181693	ZTPWWTNWCLYUJQ-SECBINFHSA-N	425.230	4.219	5	1	IIBF	
COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCC(C)C)cc1	774439	DOTGMTZPCKCAQN-UHFFFAOYSA-N	439.424	4.040	5	1	IIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC[N+](C)(C)C)[C@@H]1c1ccccc1C(F)(F)F	27206041	RVAIAUUNPHNKKA-LJQANCHMSA-O	441.470	4.203	5	1	IIBF	
CN(C)S(=O)(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1	587272263	QTBYYFZPHOVTRH-UHFFFAOYSA-N	438.465	4.181	5	1	IIBF	
CCN(CC)CCNC(=O)c1ccc2c3c1nc1ccccc1c3[nH]n2CCN(CC)CC	26982473	RYKZOXWICYCOLY-UHFFFAOYSA-N	448.615	4.084	5	1	IIBF	
Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1	95570126	BENAHSCGIDYNRC-UHFFFAOYSA-N	439.463	4.144	5	1	IIBF	
CC[C@H](C)n1ncc(I)c1-c1nc2cc(C)c([N+](=O)[O-])cc2[nH]1	587181694	ZTPWWTNWCLYUJQ-VIFPVBQESA-N	425.230	4.219	5	1	IIBF	
O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)Oc2c1ccc1c2CCCC1	587512128	LIWNYSFYQMWTFD-DEOSSOPVSA-N	436.508	4.389	5	1	IIBF	
CN1CCC(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)CC1	95574885	DMPNZWATLDPOGT-UHFFFAOYSA-N	447.369	4.333	5	1	IIBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c3cccnc3c3ncccc3c2[nH]1	587117268	HXGLDSWWGWZGPV-UHFFFAOYSA-N	427.346	4.140	5	1	IIBF	
O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](=O)[O-])c1	13608802	UDKZGAJICQNPNZ-OWOJBTEDSA-N	449.338	4.010	5	1	IIBF	
COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O	587431905	IECGEMBYZHECRH-AVRWGWEMSA-N	441.443	4.365	5	1	IIBF	
Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)CC2)cc1	586955834	XCWCVOPUZNZJIZ-UHFFFAOYSA-N	434.905	4.001	5	1	IIBF	
N[C@@H](CCc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587273261	SFSCQJOWHCMDNK-IBGZPJMESA-N	431.452	4.162	5	1	IIBF	
O=c1cc(N2CCN(CC3CCCCC3)CC2)oc2c([N+](=O)[O-])cc(C(F)(F)F)cc12	1857552788	BNCBPDWGXVYQNS-UHFFFAOYSA-N	439.434	4.422	5	1	IIBF	
C[C@H](c1ccccc1)N1CCN(C(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	95576768	UEWFLTHFUANTRV-CQSZACIVSA-N	432.527	4.259	5	1	IIBF	
Cc1ccc(CCNc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1	82149241	QWFXWCHHDRIEQQ-UHFFFAOYSA-N	431.496	4.251	5	1	IIBF	
COC(=O)c1cccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12	587118882	QSNSFRLJMXHMFA-UHFFFAOYSA-N	445.357	4.188	5	1	IIBF	
Cn1cnnc1Sc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	587530643	CYDNPUDUKUEYHE-LJQANCHMSA-N	436.493	4.460	5	1	IIBF	
COC(=O)c1cc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2C)cc([N+](=O)[O-])c1	12474378	KUSCRNRCDUWRGS-UHFFFAOYSA-N	428.397	4.038	5	3	IIBF	
COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NC(C)C)c([N+](=O)[O-])cc1OC	775336	JCSCGBSFDDLCAF-UHFFFAOYSA-N	429.404	4.211	5	1	IIBF	
COc1cc2c3c(cc4c5c(ccc4c3c1OC)OCO5)N(CCN1CCCCC1)C2=O	40880588	VLBGOZABSUWQNZ-UHFFFAOYSA-N	434.492	4.185	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@H](OC)[C@H](C)/C=C\CC(=O)OC	254017718	ODXWPZBXBHPTPI-NURZJLDZSA-N	439.505	4.096	5	1	IIBF	
O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1	1857553706	HFEFVMLCQRYGPR-HNNXBMFYSA-N	449.901	4.169	5	1	IIBF	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N2CCC[C@H]2C(=O)O)ccc1[N+](=O)[O-]	13553381	VQJLJGFMNFFKDI-YDPGBSGYSA-N	447.532	4.064	5	1	IIBF	
O=[N+]([O-])c1c(Br)ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12	587085030	MROAOFQXHRRYGM-UHFFFAOYSA-N	437.685	4.061	5	1	IIBF	
Cc1cc(N(C)Cc2nc3c(Br)cnc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F	587136427	FTWGWCVWAHOVKV-UHFFFAOYSA-N	428.649	4.366	5	1	IIBF	
CCN(CC)CCNC(=O)c1ccc(I)c2cc3ccccc3nc12	40848920	YINZEKFSQJPJBB-UHFFFAOYSA-N	447.320	4.064	5	1	IIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587262190	FZKQTIRBUBVPQE-HLTSFMKQSA-N	434.212	4.005	5	1	IIBF	
COCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	2482401	WGXXPESOZSYCSL-UHFFFAOYSA-N	433.823	4.476	5	1	IIBF	
O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccc(Br)cc1Br	45366913	MGOABCWEOZZCDP-UHFFFAOYSA-N	431.040	4.469	5	1	IIBF	
Cc1c(F)ccc2c1[C@](c1ccc([N+](=O)[O-])o1)(c1c(C)c(C=O)c3ccccn13)NCC2	962094505	TTXRMWIDYXJCGG-XMMPIXPASA-N	433.439	4.447	5	1	IIBF	
CC(C)c1ccc2nc3ccc(C(=O)NCCSCc4cccnc4)cn3c(=O)c2c1	29561819	UIAMPVINIBQYAZ-UHFFFAOYSA-N	432.549	4.029	5	1	IIBF	
Cc1cc(N(C)Cc2nc3c(Cl)c(Br)cnc3[nH]2)c([N+](=O)[O-])cc1F	587137167	RCFDRPZESAOLKM-UHFFFAOYSA-N	428.649	4.366	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cccnc3)c2c1	587621137	PIECSTARKMGXQO-UHFFFAOYSA-N	438.465	4.256	5	1	IIBF	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1	653822606	AKHORBVDJWDXKB-LJQANCHMSA-N	426.473	4.421	5	1	IIBF	
CCCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br	587259933	JBWTXYQRAQFMLT-FRRDWIJNSA-N	438.322	4.165	5	1	IIBF	
CN(C)/C=C/[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587575316	JAHFSAZCJHWCFZ-AUJBNRGBSA-N	432.432	4.233	5	1	IIBF	
O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(F)c([N+](=O)[O-])c(F)c2)N1	963191356	PABVXXMDEPGUOX-SMDDNHRTSA-N	436.720	4.234	5	1	IIBF	
Cc1nc(C(=O)NC2CCCCC2)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1	13478220	GEDNOIZSFNHONI-NRFANRHFSA-N	428.514	4.462	5	3	IIBF	
CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1	82135551	WFQZSRWURQXVGN-CALCHBBNSA-N	425.533	4.262	5	1	IIBF	
CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3cc([N+](=O)[O-])ccc23)c(C(=O)OCC)n1	587648069	ZRAVLXNBHFIPFN-UHFFFAOYSA-N	448.435	4.282	5	1	IIBF	
O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)c([N+](=O)[O-])c1	1857577187	XVXNHWFEOPSZPM-VXGBXAGGSA-N	446.376	4.155	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccc3OC(F)(F)F)cc1)C2	45286020	CHUDDRAZPAJVQG-HNNXBMFYSA-N	435.358	4.335	5	1	IIBF	
CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)CC1	82135710	KCSSBZVIBKUUHT-ROUUACIJSA-N	437.544	4.406	5	1	IIBF	
N[C@H](N=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1	587118950	SIBRONHMTJMBAR-QGZVFWFLSA-N	445.361	4.125	5	1	IIBF	
C[C@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1	72122832	GCQULPFKBAHEAF-LRDDRELGSA-N	434.374	4.411	5	1	IIBF	
O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1c(CO)oc2cc(Br)cnc12	587275937	HITDMYJOYWIRKY-UHFFFAOYSA-N	443.209	4.482	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	587728887	UEMMZYICEKLBJM-YYSFKGJASA-N	427.245	4.442	5	1	IIBF	
COc1cccc2cc3c(nc12)[C@@H](c1cn(C)c(=O)c2cc4ccc(C)cc4nc12)NCC3	963035322	NAIBTTQQLDYBIT-AREMUKBSSA-N	436.515	4.187	5	1	IIBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	587270595	OCZKSQXPRCXBTI-LBPRGKRZSA-N	445.195	4.375	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1	587749811	ZJWJRCUJHYUKRO-YMTOWFKASA-N	425.302	4.151	5	1	IIBF	
COc1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c12	586949201	VAICODOGALKPNG-UHFFFAOYSA-N	438.465	4.256	5	1	IIBF	
CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1ccc(Cl)cc1	1772628768	RSFDDQPUJGNJQE-SFHVURJKSA-N	446.894	4.276	5	1	IIBF	
O=c1c2cc(Br)ccc2oc2cc(OCCCCCO[N+](=O)[O-])cc(O)c12	1857633092	GAHMOBYLKXSWFM-UHFFFAOYSA-N	438.230	4.172	5	1	IIBF	
COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	716123	PZVCZPUFYVNKBM-XMMPIXPASA-N	448.475	4.409	5	3	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc(OC(F)(F)F)cc1)C2	45286278	RZPZCCGJVLLCBH-INIZCTEOSA-N	435.358	4.335	5	1	IIBF	
C[C@]1(COc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1	653795610	DPHNECIRHCYCIH-HXUWFJFHSA-N	443.847	4.319	5	1	IIBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	587263568	CFWMPQWNSQPOOJ-JKYUHCHBSA-N	443.313	4.071	5	1	IIBF	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)c([N+](=O)[O-])c1C	587391292	UEUCOMRMJDLFIM-OAQYLSRUSA-N	436.468	4.062	5	1	IIBF	
O=[N+]([O-])c1c(Br)ccc2nc(C(F)(Br)Br)[nH]c12	587088425	NKZHWZISPREUBR-UHFFFAOYSA-N	431.841	4.103	5	1	IIBF	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc([N+](=O)[O-])cnc4[nH]3)nc2n1	587115483	WMQLHHMSJNHPFL-UHFFFAOYSA-N	437.407	4.332	5	1	IIBF	
Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc2cc1[N+](=O)[O-]	587238084	AREMPYVIFKZCPM-LEXZLQQCSA-N	430.505	4.335	5	1	IIBF	
CC[C@@H](C)CCC[C@@H](O)[C@@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12	169293186	BNLCCYULJSGXCA-LPTQZCDUSA-N	438.524	4.404	5	1	IIBF	
Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	586940750	FCMMAEFDQRGBQK-RAXLEYEMSA-N	429.505	4.058	5	1	IIBF	
CN1C(=O)[C@@H](Cc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)NC(=O)c2cc(Cl)ccc21	40564820	FXMKDQVQQXWJFU-HXUWFJFHSA-N	435.867	4.233	5	1	IIBF	
O=[N+]([O-])c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	586957717	DMYRDKARZSRGLK-BJZITVGISA-N	426.498	4.166	5	1	IIBF	
O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc([N+](=O)[O-])cc1	586987368	NVNMICSZJOPXJV-UHFFFAOYSA-N	425.400	4.241	5	1	IIBF	
Cc1cc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2cc1[N+](=O)[O-]	587167741	RBTWGWJCCIXDDU-UHFFFAOYSA-N	432.458	4.448	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2cccc([N+](=O)[O-])c2)N1	587748581	VSVSYVWIWAAFSB-WYRIXSBYSA-N	436.281	4.275	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1	587750494	ICHJOZGNKCUKJT-XXFAHNHDSA-N	433.237	4.170	5	1	IIBF	
Cc1cc(CCCCCOc2c(Br)cc(C3=NCCO3)cc2[N+](=O)[O-])on1	27522345	SECYZSOKRMZPBW-UHFFFAOYSA-N	438.278	4.222	5	1	IIBF	
CCN(Cc1ccccc1)C(=O)c1cnc(NCCCOC)nc1-c1cccc([N+](=O)[O-])c1	82135985	WDTPMPSKRBMLMV-UHFFFAOYSA-N	449.511	4.163	5	1	IIBF	
O=C(O)CCNc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12	199791510	MXBPEELBEDSRKH-UHFFFAOYSA-N	437.843	4.160	5	1	IIBF	
O=C(CCn1c(-c2ccc(C(=O)O)cc2)nc2ccccc21)Nc1cccc([N+](=O)[O-])c1	1857583347	LZLNRZIEQBJCPO-UHFFFAOYSA-N	430.420	4.339	5	1	IIBF	
COc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)n(-c3cccc(C(=O)O)c3)c(=O)c2c1	58541131	RCYRDLKSQJZDNH-DHZHZOJOSA-N	443.415	4.171	5	1	IIBF	
CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587572914	AHULPCKRBWIVKA-URXFXBBRSA-N	449.415	4.111	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc([N+](=O)[O-])cc2)N1	587746151	JHOGTDYJLVYMNP-FUKJIOSGSA-N	434.309	4.350	5	1	IIBF	
O=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1	82160893	XSDVENWFVBWODO-INIZCTEOSA-N	448.357	4.487	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(Cc1ccccc1[N+](=O)[O-])CC2=O	587473717	ZYSRFRYDZARMNW-QHCPKHFHSA-N	427.453	4.153	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1	587719787	QQNJZJNSZHKXJH-DYBLOJMWSA-N	427.245	4.333	5	1	IIBF	
CC1(C)C[C@H]2[C@@H](CC[C@@]2(C)O)[C@]2(C)C[C@@H]2[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	39107605	MWHWKBGSBYCHGS-FMRFCHHCSA-N	432.473	4.262	5	1	IIBF	
CCOc1cc([C@H]2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O	114753438	IIDWQHVTAQYFRQ-OAQYLSRUSA-N	432.436	4.017	5	1	IIBF	
C[C@@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587576140	MSLWPPULACDLLS-QPPBQGQZSA-N	449.415	4.154	5	1	IIBF	
O=C(Cn1c(=O)oc2ccc(C(=O)c3ccccc3Cl)cc21)c1ccc([N+](=O)[O-])cc1	1645299	BEXZXBQWGVYTEL-UHFFFAOYSA-N	436.807	4.270	5	1	IIBF	
O=C(CNc1cccc([N+](=O)[O-])c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587656655	KIJSSYNIQJMSDY-UHFFFAOYSA-N	436.374	4.002	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1	587736957	XMUQJZRIYRUOJH-NIVTXAMTSA-N	425.229	4.196	5	1	IIBF	
COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587749018	ZOCUTZIYPXEVBW-DYBLOJMWSA-N	425.254	4.008	5	1	IIBF	
CC1CCN(c2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	82135767	WVAHGMFRSJCQQK-UHFFFAOYSA-N	431.496	4.218	5	1	IIBF	
COc1ccc(-c2c3ccc(=O)cc-3oc3cc(OCOP(=O)(O)O)ccc23)c(C)c1	72114674	SWVPGTUNGPRCDP-UHFFFAOYSA-N	442.360	4.327	5	1	IIBF	
CCN(CC)c1nc(C)c([N+](=O)[O-])c(NC(=S)Nc2cccc(Br)c2)n1	103168773	YCRPQSFQAKPGBK-UHFFFAOYSA-N	439.339	4.111	5	1	IIBF	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586974981	ZOFDXUFUMJEOLI-OAHLLOKOSA-N	449.330	4.344	5	1	IIBF	
Cc1ccc(OC[C@]2(C(C)(C)C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c([N+](=O)[O-])c1	963221847	FVXSMOIHJFXLAE-NLFFAJNJSA-N	449.507	4.371	5	1	IIBF	
CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	775216	CMSGRIXSRAPLOK-GFCCVEGCSA-N	433.823	4.210	5	1	IIBF	
CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCC1CCCCC1	82082159	PSLNQQUJFQWLPI-LJQANCHMSA-N	444.557	4.169	5	1	IIBF	
CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(Br)c1[N+](=O)[O-]	587937281	PDJQFBJPLVCGRU-SNVBAGLBSA-N	428.239	4.283	5	1	IIBF	
CC1(C)COC(CCC[C@@]2(c3ccc([N+](=O)[O-])cc3)NCCc3ccc(O)cc32)OC1	963354946	ZIVUKKLSCAJKBN-DEOSSOPVSA-N	426.513	4.259	5	1	IIBF	
O=C(Nc1nc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cs1)c1cccc(O)c1	587019253	IVSKGNJNXNPHQW-UHFFFAOYSA-N	429.845	4.130	5	1	IIBF	
C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@@H](C)O1	101467368	ZAEKBKKFRACEDV-TXEJJXNPSA-N	426.469	4.118	5	1	IIBF	
Cc1nc2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2cc1Br	587265606	RHPWFGHNDDTUIV-UHFFFAOYSA-N	441.289	4.466	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cccc([N+](=O)[O-])c2)N1	587748215	STWDRWXJMSWEMP-QCJWOHOXSA-N	434.309	4.350	5	1	IIBF	
COc1cc2c(C(=O)OCCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5	28385431	AZFPIZBTEHDQQX-UHFFFAOYSA-N	448.475	4.006	5	1	IIBF	
Cc1nn(Cc2ccccc2-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C)c1[N+](=O)[O-]	587267386	JUGRCWKTQIXSPV-UHFFFAOYSA-N	427.367	4.321	5	1	IIBF	
CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1	82216945	BQPPATIWHBKCJB-IRXDYDNUSA-N	425.533	4.262	5	1	IIBF	
Cc1ccc2nc(Sc3cc([N+](=O)[O-])ccc3C(=O)O)n(-c3ccccc3)c(=O)c2c1	96258072	NBNOPWBYFTZEGT-UHFFFAOYSA-N	433.445	4.452	5	1	IIBF	
CC(=O)Nc1ccc(-c2cc(C(=O)NCCN(C)C)c3ccc4ccccc4c3n2)cc1	1857621233	NSVKBTOKPMASBM-UHFFFAOYSA-N	426.520	4.305	5	1	IIBF	
O=c1c2ccccc2n(Cc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)c2ccc(Cl)cc12	299866860	POYWAKKROQVCMH-UHFFFAOYSA-N	445.866	4.404	5	1	IIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3[nH]1)(c1ccc([N+](=O)[O-])cc1)O2	587391753	YHPWCVUYZAAHAZ-DEOSSOPVSA-N	428.448	4.465	5	1	IIBF	
CC(C)(CO)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	775289	ZJWCTFXPCRKSFX-UHFFFAOYSA-N	447.850	4.458	5	1	IIBF	
COc1cc2c(=O)n(CCN3CCCC3)c3c4cc5c(cc4ccc3c2cc1OC)OCO5	1857632109	OKRSEHPKWSUNBD-UHFFFAOYSA-N	446.503	4.150	5	1	IIBF	
COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1C/C=C(/C)CO	136167094	ZBHFFZYPOSZDDX-AUWJEWJLSA-N	440.492	4.364	5	1	IIBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	587273277	GLJQUVAOTPUCEL-SSDOTTSWSA-N	434.172	4.132	5	1	IIBF	
COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1C[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)O2	2356390759	LGSRUNBAZQOQFF-OBWXTZQISA-N	426.465	4.208	5	1	IIBF	
CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(NCCc3c2c(C(C)C)nn3C)c2ccc(O)cc2O1	962918486	IZKZCKOYZVJOBA-VWLOTQADSA-N	446.507	4.370	5	1	IIBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	587265450	ULJWBIPKJDBTTK-KWKYVRJSSA-N	443.313	4.071	5	1	IIBF	
COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OC	587744155	GIZLVFOMZMVJSO-HUTHGQBESA-N	425.254	4.137	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cccc([N+](=O)[O-])c2)N1	587748213	STWDRWXJMSWEMP-KTNZYGIESA-N	434.309	4.350	5	1	IIBF	
Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cc(Cl)cc(Br)c1	587940613	MLZURWRDNAFDGY-UHFFFAOYSA-N	441.669	4.091	5	1	IIBF	
O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	1857564303	IDVJVALZCBHNHO-ZIAGYGMSSA-N	446.376	4.155	5	1	IIBF	
Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Cl	586962963	CXFAQYGXZOBGQK-UHFFFAOYSA-N	442.888	4.256	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1	587750910	KKIWCHCSUMRJCD-ZUOKHONESA-N	445.292	4.171	5	1	IIBF	
Cc1ccc(OC[C@]2(C(C)(C)C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c([N+](=O)[O-])c1	963221843	FVXSMOIHJFXLAE-CPJSRVTESA-N	449.507	4.371	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	587754659	ZVIBKNVQZASFJQ-JEOXALJRSA-N	436.281	4.275	5	1	IIBF	
CCOC(=O)Cc1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1	587266808	AWIDCJITBWOSLJ-UHFFFAOYSA-N	433.468	4.105	5	1	IIBF	
C[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962692516	FLYYNGJENHTXJN-HKUYNNGSSA-N	437.349	4.096	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@](c1ccc([N+](=O)[O-])cc1)(c1cc(C=O)n(C)c1)CC2=O	587471532	SWMFRTDKEOCPNB-XMMPIXPASA-N	434.448	4.313	5	1	IIBF	
O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSc4ccc(F)cc4)cc3c(=O)c2c1	169321921	TZWAVHUUZDAXTK-HNNXBMFYSA-N	440.448	4.316	5	1	IIBF	
Cc1nn(Cc2ccccc2-c2nc3c(C)c(Br)cnc3[nH]2)c(C)c1[N+](=O)[O-]	587264712	KARBILQJEZFVNA-UHFFFAOYSA-N	441.289	4.466	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1	587746159	JLYRHJXUYHYKLT-FKIZINRSSA-N	445.292	4.056	5	1	IIBF	
O=[N+]([O-])c1cc(N[C@@H]2CCCN(Cc3ccccc3OC(F)(F)F)C2)ccc1CO	1857771315	JRTACNGLJSZYHT-QGZVFWFLSA-N	425.407	4.062	5	1	IIBF	
CCN(CC)CCNC(=O)c1cccc2cc3cccc(I)c3nc12	40847160	OMMGMZOICVFHOW-UHFFFAOYSA-N	447.320	4.064	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3ccc([N+](=O)[O-])n3)c1)CC2=O	587469863	HMJDCPYORAPPKZ-NRFANRHFSA-N	437.452	4.213	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc([N+](=O)[O-])cc2)N1	587746451	JZKAPRLTIXJNDO-KEWVOAJGSA-N	434.309	4.350	5	1	IIBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1	587871936	QEGSKPRVXYHQOB-UHFFFAOYSA-N	449.442	4.238	5	1	IIBF	
COc1cc([C@@H]2NCCc3ccc(F)c(C)c32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C	962145842	MTFFPRVOZIFKBI-QFIPXVFZSA-N	440.475	4.136	5	1	IIBF	
O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1	82195407	OMADVTYNFHOHLA-IBGZPJMESA-N	426.473	4.143	5	1	IIBF	
CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cccc([N+](=O)[O-])c4[nH]3)CC2)cc1	586954553	FOVASSZVJWMAJO-UHFFFAOYSA-N	428.514	4.163	5	1	IIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1	587268915	DLLKXYGAESOLOX-UHFFFAOYSA-N	429.820	4.053	5	1	IIBF	
CCNc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-]	587660215	DEAGXCIGTDJIBV-UHFFFAOYSA-N	432.411	4.231	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1	587753891	WXYRHKFNKVFECU-DYBLOJMWSA-N	433.233	4.226	5	1	IIBF	
NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1	15937493	CRZZTLGWKFRALH-NRFANRHFSA-N	438.528	4.466	5	3	IIBF	
Cc1cccc2c(O)c3c(NCc4ccccn4)ccc(C(=O)NCCCN(C)C)c3nc12	299870970	XIHMKEPBLNIKCN-UHFFFAOYSA-N	443.551	4.091	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cccc([N+](=O)[O-])c2)N1	587749136	XHQFDMJUMPEOME-IYBXPEPISA-N	434.309	4.350	5	1	IIBF	
CCN(CC)CCNC(=O)c1c(I)ccc2cc3ccccc3nc12	40976669	AZAAGHKZRWYXAI-UHFFFAOYSA-N	447.320	4.064	5	1	IIBF	
CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148240	BQPPATIWHBKCJB-CALCHBBNSA-N	425.533	4.262	5	1	IIBF	
Cc1onc(-c2nc3c(Br)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079295	ITWVBAXHERFQNX-UHFFFAOYSA-N	437.641	4.095	5	1	IIBF	
CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1	587181590	WLFXXIUGWYPAGV-ZETCQYMHSA-N	429.193	4.049	5	1	IIBF	
COc1ccc2c(c1)c(CC(=O)OCC[N+](C)(C)C)c(C)n2C(=O)c1ccc(Cl)cc1	49069804	TZKVPPMDTCPZAQ-UHFFFAOYSA-N	443.951	4.092	5	1	IIBF	
COC(=O)c1ccc2c(c1)c(NCCCN)c1c3cc(Br)ccc3nc-1n2C	103146982	WYXDVDMEQFOZPK-UHFFFAOYSA-N	441.329	4.141	5	1	IIBF	
CCO[C@@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C\CC(=O)OC	169343871	ODXWPZBXBHPTPI-RWTQLERQSA-N	439.505	4.096	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	587727622	ONKJCHJZTCXDRR-YYSFKGJASA-N	427.245	4.442	5	1	IIBF	
O=Cc1cc(Br)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1	586983033	UAYNNBMYRAKQMH-UHFFFAOYSA-N	425.036	4.476	5	1	IIBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)ccc1C	40564768	YLMJWOCVTALBJL-UHFFFAOYSA-N	434.518	4.133	5	1	IIBF	
Cc1onc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-]	73279634	FLWANPJRCIPXMM-OAQYLSRUSA-N	440.887	4.092	5	1	IIBF	
Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1C=O	586967623	BYRMUMDZSGKBOT-UHFFFAOYSA-N	442.888	4.178	5	1	IIBF	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587040253	MEZKIWFEFYLXFK-NSHDSACASA-N	429.296	4.216	5	1	IIBF	
Cc1onc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-]	73279632	FLWANPJRCIPXMM-NRFANRHFSA-N	440.887	4.092	5	1	IIBF	
CC[C@H](C)NC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1cccc([N+](=O)[O-])c1	82135876	XUTSCIZSGCSHBH-INIZCTEOSA-N	449.511	4.243	5	1	IIBF	
CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)C(C)(C)[N+](C)([O-])[C@H]1c1ccccc1	102189701	SIBBRESKFMTZJN-DQUNLGLBSA-N	433.549	4.030	5	1	IIBF	
CC[C@@H](C)CCC[C@H](O)[C@@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12	58566725	BNLCCYULJSGXCA-NQERJWCQSA-N	438.524	4.404	5	1	IIBF	
O=C1c2ccc(O)cc2OC2(CCN(c3ncccc3[N+](=O)[O-])CC2)[C@@H]1c1ccc(F)cc1	587339453	UFTSGRIWZWMVRX-OAQYLSRUSA-N	449.438	4.233	5	1	IIBF	
N[C@@H](CO)[C@H](O)/C=C/CCCOC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34	29332342	GGALRHLPJFYVOQ-GPBDPULRSA-N	445.559	4.467	5	1	IIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Br)cc1[N+](=O)[O-]	587546523	OKSNSXUFJKOUGE-KXBFYZLASA-N	443.209	4.161	5	1	IIBF	
Cc1cccc(N2CCN(C(=O)c3cccn4c(=O)c5cc(Cl)ccc5nc34)C[C@@H]2C)c1	2957417	DHUIBTGHORZTNQ-KRWDZBQOSA-N	446.938	4.160	5	1	IIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1	587270590	WEBAPSQYRIRLAC-UHFFFAOYSA-N	434.374	4.390	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1	587753894	WXYRHKFNKVFECU-YYSFKGJASA-N	433.233	4.226	5	1	IIBF	
O=[N+]([O-])c1cccc([C@H](c2ccc(O)cc2O)c2cc(Br)c(O)cc2O)c1	73196137	ZLFKMBNDKLPUSU-LJQANCHMSA-N	432.226	4.360	5	1	IIBF	
CCCN(C(=O)c1csc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1)c1ccccc1	84690397	ZBADBMWRFHNYLK-UHFFFAOYSA-N	445.522	4.179	5	1	IIBF	
COc1cc2cc(C(=O)NCCCCCCO)c3cc(OC)c(OC)cc3c2cc1OC	103171486	YPKOJDZXFQJLLK-UHFFFAOYSA-N	441.524	4.310	5	1	IIBF	
C[C@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587576145	MSLWPPULACDLLS-ZJSXRUAMSA-N	449.415	4.154	5	1	IIBF	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587661612	SIDFEEOWQZXULL-CQSZACIVSA-N	433.395	4.219	5	1	IIBF	
COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21	962772455	WIQZOCXFUSLSPD-OXQOHEQNSA-N	445.397	4.129	5	1	IIBF	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4043232	PJALZEBHHQGPMA-FPOVZHCZSA-N	444.919	4.322	5	1	IIBF	
C[C@@](O)(CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	28086875	HBWZEPFGORKQPV-MRXNPFEDSA-N	445.375	4.004	5	1	IIBF	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1	587575717	KQIMOCUEPJMLQN-YKSBVNFPSA-N	443.415	4.404	5	1	IIBF	
CCOC(=O)c1cc(OCC)n(-c2cccc(Br)c2[N+](=O)[O-])c1OCC	587936249	HLZMSDGXIHTRGF-UHFFFAOYSA-N	427.251	4.122	5	1	IIBF	
CSc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1	1772612391	RUMMIJCTDPJGKB-UHFFFAOYSA-N	432.465	4.212	5	1	IIBF	
C[C@@H](F)[C@@H](N)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	587125609	SOFBINWXFDXBQD-ZQJOYCHOSA-N	447.422	4.203	5	1	IIBF	
C[C@@H]1n2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)[C@@H](C)S1(=O)=O)C(=O)NC4=O	28762721	KEBJMSSIYOGESY-VXGBXAGGSA-N	443.484	4.251	5	1	IIBF	
Cc1cc(N(C)Cc2nc3ccc(I)cc3[nH]2)c([N+](=O)[O-])cc1F	587137339	VLYZZQSVEUIGNT-UHFFFAOYSA-N	440.216	4.160	5	1	IIBF	
CNc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	587388864	HATVCURGQNTZSX-XMMPIXPASA-N	447.447	4.134	5	1	IIBF	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Br)c([N+](=O)[O-])c4[nH]1)(C3)C2	587949612	ITDHRDLFCDVJNA-ORMMXULVSA-N	434.290	4.387	5	1	IIBF	
CN1CCc2c(Br)cccc2[C@@]1(C)c1ncc([N+](=O)[O-])cc1Br	963282805	XVPICEXJIWTLDS-INIZCTEOSA-N	441.123	4.266	5	1	IIBF	
COCCN1C(=O)CC[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H]1c1ccccc1Cl	587061594	OJMNUSMCKGXXHS-RNODOKPDSA-N	446.866	4.357	5	1	IIBF	
COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OC	587744164	GIZLVFOMZMVJSO-XYZCENFISA-N	425.254	4.137	5	1	IIBF	
CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1O	101598198	QWIZWBDBKSYVMF-IBGZPJMESA-N	430.457	4.459	5	1	IIBF	
O=S(=O)(c1ncccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1)C(F)(F)F	587126401	ADUSCZCDFGUYSK-UHFFFAOYSA-N	429.383	4.015	5	1	IIBF	
O=S(=O)(CCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc2c(c1)CCC2	586923014	VUPDBURJJLGHAQ-UHFFFAOYSA-N	428.517	4.164	5	1	IIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C	587240051	QBHFXKCWIJVAFB-LBBIBPJZSA-N	434.468	4.165	5	1	IIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587265960	YNFUREIMUNPSGE-SZEHBUNVSA-N	434.212	4.005	5	1	IIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2)nc1C(F)(F)F	587119538	XVDSZCZIKFETTI-UHFFFAOYSA-N	432.318	4.310	5	1	IIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1	587265667	SAUGDVLBBFDALQ-NSHDSACASA-N	433.428	4.384	5	1	IIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O	587432686	KSWHAILSKKWRQQ-CVDCTZTESA-N	431.400	4.311	5	1	IIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	587859197	CLTVEYBBAYIYAG-UHFFFAOYSA-N	438.271	4.436	5	1	IIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1	587859843	KAXDKLMTGXPTQU-NSHDSACASA-N	438.271	4.337	5	1	IIBF	
COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@]1(C)COC(=O)O1)O2	40395632	BKZJCNIVAZPUQH-NLFFAJNJSA-N	431.444	4.083	5	1	IIBF	
O=[N+]([O-])c1c[nH]c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc-2c1	587120453	JMXYBPSTWPYLDO-UHFFFAOYSA-N	425.330	4.213	5	1	IIBF	
C[C@@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587554228	CMNBFWNNQXJJBH-AVRDEDQJSA-N	425.368	4.108	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C)c([N+](=O)[O-])c1C	587865943	QCFCDKGSEZLNKI-UHFFFAOYSA-N	437.378	4.030	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	587727614	ONKJCHJZTCXDRR-DYBLOJMWSA-N	427.245	4.442	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1	587749772	FSJHTSMDSIRHNI-AYLIAGHASA-N	432.249	4.374	5	1	IIBF	
O=C(O)[C@@H]1[C@H](Cc2c[nH]c3ccccc23)CCN1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	103255432	JORYDAJGXUCPKD-BUXKBTBVSA-N	442.453	4.009	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1	587749809	ZJWJRCUJHYUKRO-OTYXRUKQSA-N	425.302	4.151	5	1	IIBF	
COc1ccc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1NC(=O)c1cnccn1	96285593	MIWHEUSUNJLFSA-UHFFFAOYSA-N	447.495	4.025	5	1	IIBF	
O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSC4CCCCC4)cc3c(=O)c2c1	169321961	SQPZHSUKFHTZBL-OAHLLOKOSA-N	428.506	4.450	5	1	IIBF	
CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O	169702724	JHVSIYWXTWMWDN-MJGOQNOKSA-N	438.465	4.193	5	1	IIBF	
O=[N+]([O-])c1cc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(F)cc1O	962963484	YTFMKJVJERUXTF-GOSISDBHSA-N	426.366	4.199	5	1	IIBF	
O=c1cc(CSc2nccc(O)n2)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2o1	1857645316	HFMAOKHAURHXDN-UHFFFAOYSA-N	437.433	4.068	5	1	IIBF	
COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1C/C=C(\C)C/C=C/C(C)(C)O	39033950	KJAAMJGLBFDRRW-MHUSLGGSSA-N	426.465	4.278	5	1	IIBF	
O=[N+]([O-])c1cncc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12	587001521	ZDFBVLBTARMTPG-UHFFFAOYSA-N	425.246	4.303	5	1	IIBF	
O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccc(Cl)cc2)CC1	72107549	SSMOXOUXPJUGPV-UHFFFAOYSA-N	447.970	4.201	5	1	IIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1	587109740	MWYGJSMVEGMQQP-UHFFFAOYSA-N	425.676	4.495	5	1	IIBF	
Cc1cc(N(C)Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c([N+](=O)[O-])cc1F	587136062	AXNZICQQFUBNKI-UHFFFAOYSA-N	437.225	4.016	5	1	IIBF	
N=C(N)SCc1cc(F)ccc1Sc1ccc([N+](=O)[O-])cc1CSC(=N)N	84711354	KPKVFORNVZIISV-UHFFFAOYSA-N	425.536	4.138	5	1	IIBF	in-vitro
CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1	587181589	WLFXXIUGWYPAGV-SSDOTTSWSA-N	429.193	4.049	5	1	IIBF	
CCCOc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br	587269846	RNHWXGXJVBCDGG-UHFFFAOYSA-N	434.246	4.414	5	1	IIBF	
Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-]	587341624	ZEPBGAXQFKDPEY-UGKGYDQZSA-N	425.416	4.071	5	1	IIBF	
COc1ccc2nc(C)cc(N3CCC(NC(=O)Nc4ccc([N+](=O)[O-])cc4)CC3)c2c1	299866843	PNVSISBSOQJHIH-UHFFFAOYSA-N	435.484	4.251	5	1	IIBF	
Cc1c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	587029608	QVMWTPSYTPWFKZ-UHFFFAOYSA-N	446.286	4.383	5	1	IIBF	
O=C([C@H]1Cc2ccccc2[C@H](c2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1)C(F)(F)F	962727745	AONJJWDUEBNFSI-UKRRQHHQSA-N	434.292	4.229	5	1	IIBF	
CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)[C@@H]2c2ccccc2)cc([N+](=O)[O-])c1O	169702718	ADNUWBLFRFEGIQ-FPOVZHCZSA-N	432.436	4.132	5	1	IIBF	
O=C1C[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)CN1Cc1ccc(F)cc1F	587148314	HYYYYQTXZQJGLG-CQSZACIVSA-N	429.430	4.454	5	1	IIBF	
O=C(Nc1cccc(Cl)c1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O	103286835	OOUWAMSWXRRLRF-UHFFFAOYSA-N	428.275	4.101	5	1	IIBF	
CCOc1cc(C2=NC(=O)N[C@@H](c3cccnc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O	169702738	CKPKDXIVCGGHEH-ROUUACIJSA-N	438.465	4.193	5	1	IIBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2cccs2)[C@H]1c1cccc([N+](=O)[O-])c1	169723556	PZOXTGHVURODSB-MJGOQNOKSA-N	428.466	4.021	5	1	IIBF	
O=c1c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc(Br)cn1Cc1ccccc1	587005929	ACJPGUXKJNDSPH-UHFFFAOYSA-N	425.242	4.111	5	1	IIBF	
CC[C@@H]1Oc2c(ccc3c(=O)c4c(O)cc(O)cc4oc23)O[C@@H]1c1ccc(O)c(OC)c1	2356500923	GTGMAIGXTZWZDI-KSFYIVLOSA-N	436.416	4.363	5	1	IIBF	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccc([N+](=O)[O-])cc1	587658962	WWRCCSMEPCRTNC-UHFFFAOYSA-N	438.415	4.495	5	1	IIBF	
CCOc1ccc(-c2nn(-c3ncc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC	587669997	SNNXFSHGKKIYLL-UHFFFAOYSA-N	446.463	4.462	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	587753642	VZAUZQMJZOSMKQ-WLRWDXFRSA-N	436.281	4.275	5	1	IIBF	
COC(=O)C1=C(C)N(CCN(C)C)c2ccccc2S[C@@H]1c1cccc([N+](=O)[O-])c1	27720713	JTOAMNKQXXGKQO-OAQYLSRUSA-N	427.526	4.257	5	1	IIBF	
COc1ccc(SC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1	28089619	ZMLBRQBYJMFACT-KRWDZBQOSA-N	430.404	4.104	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(C)=O)c2c1	587619484	GWOZSPUNTAQCHE-UHFFFAOYSA-N	439.396	4.026	5	1	IIBF	
COc1cc2c(cc1OC)[C@@](C)(c1cc(N3CCCC3)ccc1[N+](=O)[O-])N(C)[C@@H](C)C2	962632605	PCWYNORMSIHRKO-FYSMJZIKSA-N	425.529	4.352	5	1	IIBF	
CSc1ccc([C@@]2(c3ccccc3C(=O)O)NCCc3c(C)ccnc32)cc1[N+](=O)[O-]	963087948	MWIZQNBZESBHTI-QHCPKHFHSA-N	435.505	4.156	5	1	IIBF	
C[C@@H](O[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1	72122833	GCQULPFKBAHEAF-WBMJQRKESA-N	434.374	4.411	5	1	IIBF	
O=[N+]([O-])c1ccc(SC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1	95579571	AOQZKMXSRQOYCY-QPJJXVBHSA-N	444.538	4.211	5	1	IIBF	
COc1ccc(CN2CCN([C@H](c3ccc([N+](=O)[O-])cc3)[C@H](O)c3ccccc3)CC2)cc1	169325024	SZEKWFSMNFHTRK-CLJLJLNGSA-N	447.535	4.196	5	1	IIBF	
CC(C)COc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br	587260684	ZBWMDXTUOLDTSB-AGIUHOORSA-N	438.322	4.021	5	1	IIBF	
O=[N+]([O-])c1cc([C@@H]2NCCc3ccc(O)cc32)cc(Br)c1OC(F)(F)F	963341180	MGSFRXVCIUXPHF-AWEZNQCLSA-N	433.180	4.197	5	1	IIBF	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccc([N+](=O)[O-])cc4)nc4sccn14)[C@@H](C2)C3=O	587451883	LIMPVTQOXZUOAP-BTYIYWSLSA-N	433.445	4.468	5	1	IIBF	
COc1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c(O)c2)cc1OC	587928045	WWEQMTBUHWPZTM-UHFFFAOYSA-N	436.380	4.436	5	1	IIBF	
CS(=O)(=O)c1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl	586924637	DGELJBZUGAZEEJ-UHFFFAOYSA-N	435.767	4.094	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1	587748895	BKBCWCDEFQEUSQ-FVMDXXJSSA-N	433.237	4.170	5	1	IIBF	
C[C@](O)(CSc1cccc(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857590493	VOELVORCDWCRSB-INIZCTEOSA-N	436.358	4.374	5	1	IIBF	
CN(C)C1=Nc2ccccc2[C@@H](CC(=O)NCc2ccc([N+](=O)[O-])cc2)N1c1ccccc1	49844828	HCOLRSVHDDZVKO-HSZRJFAPSA-N	443.507	4.412	5	1	IIBF	in-vivo
CC(C)CN(C)c1ncc(C(=O)NCC2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1	82134477	KBTFBPNTMZBGOB-UHFFFAOYSA-N	425.533	4.454	5	1	IIBF	
Cc1cccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc2)c1	96167955	LDUJDDHHYBELCT-UHFFFAOYSA-N	426.454	4.348	5	1	IIBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1cccc(Cl)c1F	473122487	SHCMONFKUMNDSZ-UHFFFAOYSA-N	433.823	4.328	5	1	IIBF	
O=[N+]([O-])c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Cl	587119483	WWVYLLNAPDROBD-UHFFFAOYSA-N	438.591	4.345	5	1	IIBF	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)OCc1ccc([N+](=O)[O-])cc1	587623600	XRONZKNSWBCCNY-UHFFFAOYSA-N	429.230	4.380	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CC(F)(F)F)c2c1	587620287	UJAXHRFQYJKHBZ-UHFFFAOYSA-N	443.403	4.299	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)c1nc(-c2cnc3ccc(Cl)cn23)cs1	28642528	WRDUSFKPZVPYTB-UHFFFAOYSA-N	434.886	4.161	5	1	IIBF	
CC(=O)Oc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1	221103548	UGRGDKXDAVOLBV-SDNWHVSQSA-N	427.416	4.390	5	1	IIBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1	586999688	FJZMDQRNTWICFQ-UHFFFAOYSA-N	425.246	4.303	5	1	IIBF	
CC1(C)C[C@@]2(CC(C)(C)c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c32)c2cc(O)c([N+](=O)[O-])cc21	36176395	AEPFEKCKSRFWJD-OAQYLSRUSA-N	443.412	4.471	5	1	IIBF	
CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)CC1	82135709	KCSSBZVIBKUUHT-HDICACEKSA-N	437.544	4.406	5	1	IIBF	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(OCCCN2CCCCC2)cc1O	261146738	NZVLULATISZKLV-UHFFFAOYSA-N	433.892	4.461	5	1	IIBF	
C[C@@](O)(CSc1cccc(F)c1F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857590494	VOELVORCDWCRSB-MRXNPFEDSA-N	436.358	4.374	5	1	IIBF	
COC(=O)c1cccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	587053903	HKQOVQYXXQEUED-MRXNPFEDSA-N	430.848	4.038	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC2=O	587472956	OVQKYSGTDSZNND-QFIPXVFZSA-N	428.441	4.014	5	1	IIBF	
CCOC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1	587661961	VBUQKMMDKVFCGU-UHFFFAOYSA-N	433.395	4.277	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	587727617	ONKJCHJZTCXDRR-LZVRBXCZSA-N	427.245	4.442	5	1	IIBF	
CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1	102985266	FHGZDMHXJUYMNN-TZIWHRDSSA-N	449.507	4.482	5	1	IIBF	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCOC)nc1-c1ccc([N+](=O)[O-])cc1	82149273	LLLRXEYBMKKBAP-UHFFFAOYSA-N	449.511	4.081	5	1	IIBF	
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)[C@H](O)[C@@H]1CCC[N@@+]1([O-])C3	257486694	MSEYHQHYVWQFRE-FIMBPPNMSA-N	425.481	4.051	5	1	IIBF	
COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@H](C)CC(=O)O)[C@@H](C2)C3=O	587420845	JEYRXMRRHADCNI-JTWCOAEXSA-N	431.828	4.011	5	1	IIBF	
O=C(O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(Cl)c(Cl)c1	96273182	UVNWTVRYSFEQAU-UHFFFAOYSA-N	425.253	4.326	5	1	IIBF	
O=C(Nc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1)c1ccc(Br)o1	587007272	GAWRLUXUKSIOPG-UHFFFAOYSA-N	442.229	4.065	5	1	IIBF	
CC[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc(I)c(C)n1	587186142	SFZVDLPGXOLFNS-LBPRGKRZSA-N	445.648	4.233	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1	587263377	MDIGPKZFYLTWJA-SNVBAGLBSA-N	447.831	4.262	5	1	IIBF	
O=[N+]([O-])c1cccnc1NCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	587268487	ADBHTJJTNNWMPD-UHFFFAOYSA-N	432.156	4.139	5	1	IIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O	587577894	UNRNVGJERUDSRW-CVDCTZTESA-N	431.356	4.110	5	1	IIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1	587859841	KAXDKLMTGXPTQU-LLVKDONJSA-N	438.271	4.337	5	1	IIBF	
CCOc1cc(C2=NC(=O)N[C@H](c3cccnc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O	169702741	CKPKDXIVCGGHEH-QZTJIDSGSA-N	438.465	4.193	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@](CNC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)C)CC2=O	587471517	SKNJLEBIEPLDKO-HSZRJFAPSA-N	426.469	4.043	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1	587734372	RAFSRUCTNTVRIG-LZVRBXCZSA-N	425.229	4.196	5	1	IIBF	
Cc1cccnc1[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21	962732189	XZVWSJWTBQJKQB-DENIHFKCSA-N	441.409	4.236	5	1	IIBF	
CCc1cc(OCCc2nc(-c3ccc([N+](=O)[O-])cc3)oc2C)ncc1CCC(=O)O	1772621685	MIXWYACOCUHRBV-UHFFFAOYSA-N	425.441	4.154	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C)c2c1	587620679	XSXZMBJSINUTRG-UHFFFAOYSA-N	429.376	4.213	5	1	IIBF	
CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1Cl	26577384	UUWBLIXLGUCSAG-YEQVNJDRSA-N	427.866	4.313	5	1	IIBF	
CCN(CC)CCNC(=O)c1c2ccccc2nc2ccc(I)cc12	40874252	VOBRTBYHSPUOFP-UHFFFAOYSA-N	447.320	4.064	5	1	IIBF	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586918383	XTXXPHOLTNFJGX-ORAYPTAESA-N	430.258	4.450	5	1	IIBF	
O=S(=O)(c1ccc(Cl)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1)N1CCC1	586955657	RFCRTFOIYHZSLP-UHFFFAOYSA-N	449.923	4.374	5	1	IIBF	
O=C(Nc1ccc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1)c1ccc(Br)o1	587006720	AQMKKPGMOCQAMA-UHFFFAOYSA-N	442.229	4.065	5	1	IIBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)cc2[nH]1	587264999	RCXPOSRKLJFLCF-KWKYVRJSSA-N	426.216	4.220	5	1	IIBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1C	35827477	MBGNUFJWISUWKT-UHFFFAOYSA-N	434.518	4.133	5	1	IIBF	
NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4cccc([N+](=O)[O-])c4)cccc23)c1	299818890	ANEYNSNFJPBMPH-UHFFFAOYSA-N	428.404	4.287	5	1	IIBF	
Cc1cc2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)[nH]c2cc1[N+](=O)[O-]	586944147	MCYRNHRCWQKTEE-UHFFFAOYSA-N	442.522	4.029	5	1	IIBF	
CC(C)Oc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br	587092456	PCUMOJLXXQZWAL-UHFFFAOYSA-N	448.199	4.447	5	1	IIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)c(Br)cnc2[nH]1	587267074	STZOSUHORJVKJU-LURJTMIESA-N	441.629	4.363	5	1	IIBF	
CC(=O)Oc1ccccc1C(=O)OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1	1857545799	DSBKPXPFPDLQLV-UHFFFAOYSA-N	426.425	4.019	5	1	IIBF	
CC[n+]1c(-c2ccccc2)c2cc(NC(=O)CCCC(N)=O)ccc2c2ccc(N)cc21	28821299	GLTAAXKOGKKPRM-UHFFFAOYSA-O	427.528	4.144	5	1	IIBF	
C[N@+]1(CCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	261141038	NBVYRBDIADJELP-OOWIMERYSA-O	442.583	4.253	5	1	IIBF	
CC1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	82149387	CUSUCAWSYTZPQX-QZTJIDSGSA-N	437.544	4.406	5	1	IIBF	
COc1ccc2c(=O)c3cccc(CN4CCN(c5ccccc5OC)CC4)c3oc2c1	96927924	SKACYVHOKYLXGO-UHFFFAOYSA-N	430.504	4.286	5	1	IIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C(=S)Nc2cc(Cl)ccn2)CC1	198797441	KZYTWMCLIHAVOY-UHFFFAOYSA-N	445.854	4.181	5	1	IIBF	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	587041156	DICJLXKMWFALJA-QGZVFWFLSA-N	432.889	4.411	5	1	IIBF	
COc1ccc(Cl)c2c1CCN[C@]2(c1ccc(C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1	963268903	AQPQHZPUCVROHC-HSZRJFAPSA-N	438.867	4.393	5	1	IIBF	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCCC1CCN(C(=O)c2ccccc2)CC1	71296545	NVBNCCVTUAUFON-BUHFOSPRSA-N	435.524	4.447	5	1	IIBF	
COc1cccc(/C=C\c2ncc([N+](=O)[O-])n2CCOC(=O)c2c[nH]c3ccccc23)c1	299830167	NKYCQCIKONDOSE-KTKRTIGZSA-N	432.436	4.309	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1	587263376	MDIGPKZFYLTWJA-JTQLQIEISA-N	447.831	4.262	5	1	IIBF	
COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@H](C)C(=O)O	587511443	GQRZDXRHAOOVCX-BLVKFPJESA-N	441.436	4.041	5	1	IIBF	
CN1C(=O)C[C@@H]2CN[C@H](c3ccc(-c4ccc(C(=O)O)cc4)cc3[N+](=O)[O-])c3cccc1c32	963034173	QRHSAMMXGYXSOE-MZNJEOGPSA-N	443.459	4.103	5	1	IIBF	
Cc1onc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080481	WDALOJYECSWIBE-UHFFFAOYSA-N	442.741	4.231	5	1	IIBF	
COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2OC)ccc1O	2356481224	IOXDNARANVBWEM-RDPSFJRHSA-N	436.416	4.154	5	1	IIBF	
COc1ccc(CN2CCN([C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H](O)c3ccccc3)CC2)cc1	169325018	SZEKWFSMNFHTRK-UIOOFZCWSA-N	447.535	4.196	5	1	IIBF	
O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1	5545784	RKPSZHPBHMZRQY-NDENLUEZSA-N	429.392	4.307	5	1	IIBF	
COc1cc(Cn2cnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)cc(OC)c1	13584435	PZGYBMWGBIVRCR-UHFFFAOYSA-N	437.481	4.092	5	1	IIBF	
CCOc1cc([C@@H]2NC(=O)NC(c3cccnc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O	114752052	OOLWDJTWVWHETJ-IBGZPJMESA-N	438.465	4.078	5	1	IIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)c(F)cc3[nH]2)CC1	587268791	ACDSUTQHNITFBV-UHFFFAOYSA-N	447.264	4.393	5	1	IIBF	
O=C(Nc1c(F)cccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1	13587608	XKPFJBJRMRYLPA-UHFFFAOYSA-N	440.339	4.175	5	1	IIBF	
CC[C@H]1Oc2c(ccc3c(=O)c4c(O)cc(O)cc4oc23)O[C@H]1c1ccc(O)c(OC)c1	2356500924	GTGMAIGXTZWZDI-ZHRRBRCNSA-N	436.416	4.363	5	1	IIBF	
O=C(CC[C@@H]1N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC1=O)OCc1ccccc1	13860463	PTRYBRYZCRKBRP-QFIPXVFZSA-N	443.459	4.277	5	1	IIBF	
CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587051246	ZTCWEUNFTRQOIR-POHAHGRESA-N	434.905	4.325	5	1	IIBF	
COc1cc(OC)c2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1	587053052	AINFXDKRJULDOM-KRWDZBQOSA-N	432.864	4.269	5	1	IIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	587747441	NTVZGJBXCAOVDI-DYBLOJMWSA-N	425.254	4.137	5	1	IIBF	
O=C([C@@H]1Cc2ccccc2[C@H](c2cccn2Cc2ccccc2[N+](=O)[O-])N1)C(F)(F)F	962711526	MBKUDWPEBVVVHR-FXAWDEMLSA-N	429.398	4.180	5	1	IIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Br)c(F)c3[nH]2)CC1	587269766	OPDXVNIGLFFROC-UHFFFAOYSA-N	447.264	4.393	5	1	IIBF	
O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1	82135670	SOHWSRRSSMZQKO-UHFFFAOYSA-N	449.486	4.472	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(F)cc2[nH]1	586949487	XJXSTNYKQGTHOO-UHFFFAOYSA-N	426.429	4.386	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1	587261480	BYTVIVDMRYVURD-LBPRGKRZSA-N	439.403	4.147	5	1	IIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1nc([N+](=O)[O-])cc1C	587860391	STINYABJDYYDOZ-UHFFFAOYSA-N	438.271	4.399	5	1	IIBF	
COc1ccc(CN2C(=O)C[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)cc1	653730573	UOQLFHXBRIBCKM-CAOCKLPOSA-N	432.476	4.304	5	1	IIBF	
O=C(Nc1cccc(OCc2cccc([N+](=O)[O-])c2)c1)C1CCN(c2ccncc2)CC1	96285759	KQNHXZBCKVNFSL-UHFFFAOYSA-N	432.480	4.424	5	1	IIBF	
COc1cc2cc(CN3CCCC[C@@H]3CO)c3cc(OC)c(OC)cc3c2cc1OC	103175476	NJNWZSQWZHPFLJ-GOSISDBHSA-N	425.525	4.374	5	1	IIBF	
O=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(Nc3ccc(F)c(F)c3F)c(F)cc2c1=O	103210313	IOBVYEGGWZFROH-UHFFFAOYSA-N	437.305	4.243	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@H](OC)[C@@H](C)/C=C\CC(=O)OC	254017702	ODXWPZBXBHPTPI-KBRZTZIUSA-N	439.505	4.096	5	1	IIBF	
O=[N+]([O-])c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1[N+](=O)[O-]	586983782	CFRVFVHRJDMOKR-KRWDZBQOSA-N	446.261	4.327	5	1	IIBF	
CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587189822	DJKXDRKNRWNSCK-QGZVFWFLSA-N	427.417	4.336	5	1	IIBF	
O=[N+]([O-])c1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1F	586960831	PSSPFARTHDTETJ-VWLOTQADSA-N	426.267	4.113	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@H](OC)[C@@H](C)C=CCC(=O)OC	1857622726	ODXWPZBXBHPTPI-RSMHBEIYSA-N	439.505	4.096	5	1	IIBF	
O=C(OC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(O)(c1ccccc1)c1ccccc1	13835331	OSRRPPAVDDEACA-UHFFFAOYSA-N	446.503	4.039	5	1	IIBF	
NCC1CCC(CNc2nc(NCc3ccc(Cl)cc3Cl)ncc2[N+](=O)[O-])CC1	28898538	ADURJIGIBOQRQJ-UHFFFAOYSA-N	439.347	4.481	5	1	IIBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC/C=C/c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723566	BTOSRYCUFZLVHX-HJJLBPTMSA-N	448.475	4.473	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1	587748592	AFIIFPLHZFWFKG-NIVTXAMTSA-N	433.233	4.226	5	1	IIBF	
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)SC(N)=N2	5852580	OLAJRZGJYUWZEJ-INIZCTEOSA-N	427.873	4.224	5	1	IIBF	
O=S(=O)(NCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc2c(c1)OCCO2	586941241	HPYXYYGRLZKAMK-UHFFFAOYSA-N	445.500	4.119	5	1	IIBF	
Cc1ccc(-n2cnnc2SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1Cl	586967520	AINVWSMFNCNPFW-UHFFFAOYSA-N	445.848	4.214	5	1	IIBF	
COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC	587743679	BFFVXIWRQVQZTI-LZVRBXCZSA-N	425.254	4.137	5	1	IIBF	
COc1cc2c(cc1CCO)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2	29125696	ZUUOGPNZOZHSJI-UHFFFAOYSA-N	435.436	4.123	5	1	IIBF	
CCO/C(O)=C1\C(C)=NC2=C([C@@H]1c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc12	101759128	MSWDIZISCNFYAT-DTBMRADHSA-N	426.450	4.115	5	1	IIBF	
CCCCc1cc(=O)oc2cc(OCc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)ccc12	586917424	BPMIDEYAGKFMBQ-UHFFFAOYSA-N	438.396	4.407	5	1	IIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-]	587262197	GALFXWUTPVDLFE-JEZHCXPESA-N	434.212	4.005	5	1	IIBF	
O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCN1	103216752	LXYAYENQKOXVRU-SFHVURJKSA-N	439.578	4.053	5	1	IIBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2cccs2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723555	PZOXTGHVURODSB-PKOBYXMFSA-N	428.466	4.021	5	1	IIBF	
COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc(Cl)c([N+](=O)[O-])n1	587380352	SZTNJHYJFXCWJJ-LJQANCHMSA-N	442.859	4.099	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	587749172	XRMPGJOYMXUXBX-GIGQVBGESA-N	439.281	4.311	5	1	IIBF	
COc1cccc([N+](=O)[O-])c1OCCNCCOc1ccccc1OCc1ccccc1	64415798	LYVYZEAKTYROJI-UHFFFAOYSA-N	438.480	4.230	5	1	IIBF	
O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12	587008572	YSZSKMACVBGTJA-UHFFFAOYSA-N	437.051	4.311	5	1	IIBF	
CC(C)(C)[C@@]1(COc2ccc([N+](=O)[O-])cc2Cl)N[C@H](C(=O)O)Cc2cccc(F)c21	962892753	DUQFTHLCHHRGIW-KKSFZXQISA-N	436.867	4.307	5	1	IIBF	
C[C@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587554230	CMNBFWNNQXJJBH-PGRDOPGGSA-N	425.368	4.108	5	1	IIBF	
CC[C@@H](C)[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	1857560735	RJHWGXRTWBZSIK-QGHHPUGFSA-N	440.283	4.390	5	1	IIBF	
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1C	205828617	VUDJPBPVCUEFHU-UHFFFAOYSA-N	435.487	4.372	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(F)c2[nH]1	586949211	VDEWXSQANJOZCC-UHFFFAOYSA-N	426.429	4.386	5	1	IIBF	
COc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1OC	587054375	KFSHVLDDUYUCIS-SFHVURJKSA-N	432.864	4.269	5	1	IIBF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1	962981660	VMKLSKUBGCVPMK-XLIONFOSSA-N	445.809	4.277	5	1	IIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	587747443	NTVZGJBXCAOVDI-LZVRBXCZSA-N	425.254	4.137	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	587753645	VZAUZQMJZOSMKQ-WYRIXSBYSA-N	436.281	4.275	5	1	IIBF	
O=C(Nc1ccc(S(=O)(=O)N2CCC3(CCCCC3)CC2)cc1)c1ccc([N+](=O)[O-])o1	198851926	IZEYMPOIFOEGMN-UHFFFAOYSA-N	447.513	4.175	5	1	IIBF	
COc1cc2c3c(c1)O[C@@H](c1c(-c4cccc([N+](=O)[O-])c4)nc4ccccn14)[C@@H](C2)C3=O	587434161	RSQJVAYBYPWWNT-BXKMTCNYSA-N	427.416	4.407	5	1	IIBF	
O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-]	28948900	JRZYSSVZZSDOHZ-UHFFFAOYSA-N	435.823	4.297	5	1	IIBF	
CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	82136059	GAPUESGEPSZZOM-UHFFFAOYSA-N	425.533	4.406	5	1	IIBF	
O=C(NCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1cccc(C(F)(F)F)c1	587111168	KEJVTYYMMUTWGU-UHFFFAOYSA-N	443.179	4.182	5	1	IIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c([N+](=O)[O-])ccc(O)c2n1	587576355	OAUHDUGMSONVSI-CVDCTZTESA-N	430.372	4.257	5	1	IIBF	
CC(C)(C)[C@]1(COc2ccc([N+](=O)[O-])cc2Cl)N[C@H](C(=O)O)Cc2cccc(F)c21	962892748	DUQFTHLCHHRGIW-HRAATJIYSA-N	436.867	4.307	5	1	IIBF	
CSc1ccc([C@]2(c3ccccc3C(=O)O)NCCc3c(C)ccnc32)cc1[N+](=O)[O-]	963087947	MWIZQNBZESBHTI-HSZRJFAPSA-N	435.505	4.156	5	1	IIBF	
Cc1ccc(S(=O)(=O)c2c(N)c3nc4ccccc4n3c3nc4ccccc4nc23)cc1	5833799	XVENTCJALKLFPV-UHFFFAOYSA-N	439.500	4.307	5	1	IIBF	
CC(C)CCc1c(OCCOc2cccc(/C=C/C(=O)NO)c2)ccc2c1OC(=O)CC2	218438433	WANCIXSROFZVFM-KPKJPENVSA-N	439.508	4.103	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(O)ccc([N+](=O)[O-])c21	587471254	PFCVPFFGHVALQO-RUZDIDTESA-N	445.427	4.412	5	1	IIBF	
CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)n2c(cc3c(Cl)cccc32)c1O	1856333	HVJIICUNLYOSAD-UHFFFAOYSA-N	436.851	4.241	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN[C@H](c3ccccc3)C2)cc1	5579439	WUABNKVQCNQNHX-FQEVSTJZSA-N	436.493	4.143	5	1	IIBF	
COc1ccccc1C1=NN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1	653729355	XSROIVXHCOVHTQ-QGZVFWFLSA-N	436.380	4.096	5	1	IIBF	
Cc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccc([N+](=O)[O-])cc2)o1	82174488	QTSODSSOVQVJAG-UHFFFAOYSA-N	431.408	4.356	5	1	IIBF	
COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4[nH]1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O	587434086	QXVWPRSTNZQBMG-AVRWGWEMSA-N	441.443	4.365	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1)CC2=O	587468790	DLSFOHBOBAYIEP-HSZRJFAPSA-N	440.496	4.168	5	1	IIBF	
O=C1C[C@@H]2OCC=C3C[N@@+]4(CC5CCCCC5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64	299812694	LUKZBVLMTSSIFN-ZNMPXEMHSA-N	431.600	4.188	5	1	IIBF	
CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1nn(C)cc1[N+](=O)[O-]	587389155	JIOQZJRIQROAQS-LJQANCHMSA-N	438.440	4.116	5	1	IIBF	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Br)cc([N+](=O)[O-])c4[nH]1)(C3)C2	587949820	KXCQJYBNGVSZTE-ORMMXULVSA-N	434.290	4.387	5	1	IIBF	
Cc1c(F)cccc1-c1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc([N+](=O)[O-])c1	587136498	JMJHFKZSBTYSBN-UHFFFAOYSA-N	427.413	4.499	5	1	IIBF	
O=[N+]([O-])c1ccc(NC2CCC(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1	1857579805	MFOMXIHXMLWEIS-UHFFFAOYSA-N	446.376	4.155	5	1	IIBF	
C[N+]1(CCO[P@](=O)(O)OCCCCC=C2C3CC4CC(C3)CC2C4)CCOCC1	27868796	VCIRXWLKWRPGMG-UHFFFAOYSA-O	428.530	4.150	5	1	IIBF	
Cc1cc(C)n2nc(S[C@@H](C)c3nnc(SCc4ccc([N+](=O)[O-])cc4)o3)nc2n1	40917575	QGSCKEOIZHVKFI-LBPRGKRZSA-N	443.514	4.178	5	1	IIBF	
CN(C)CCCN=c1c2ccccc2n(C)c2c1oc1ccc(OCCC[N+](C)(C)C)cc12	1772624891	CMEOBVWNQNTKMX-UHFFFAOYSA-N	449.619	4.405	5	1	IIBF	
CC(=O)OCc1ccc(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)cc1[N+](=O)[O-]	2178320139	KXOVZLSOKQKCBS-UHFFFAOYSA-N	445.516	4.475	5	1	IIBF	
CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-]	13560022	GSOFJSSBWMLOLV-UHFFFAOYSA-N	436.490	4.239	5	1	IIBF	
Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)cc2N)cc1	26390845	JZKRZAQZWNLPQY-UHFFFAOYSA-N	449.492	4.139	5	1	IIBF	
COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c2c1C[C@@H](O)C(C)(C)O2	49089742	GPNDGLHOWXPANW-LJQANCHMSA-N	440.492	4.252	5	1	IIBF	biogenic
CC1=Nc2cc(=O)n(Cc3ccccc3)n2[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)OC(C)C	102211744	NZLHXTCRFHPDJS-UGUGFTGJSA-N	448.479	4.496	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21	587471524	SSANDFFLMFZZDG-VWLOTQADSA-N	445.427	4.412	5	1	IIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1cc([N+](=O)[O-])cn1)c1ccccc1	587573319	BCXGFWZBJMPLRK-URXFXBBRSA-N	443.415	4.054	5	1	IIBF	
CCOc1ccc(-c2nn(-c3ccncc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC	587668833	GFPKJBJSGVPBSV-UHFFFAOYSA-N	432.436	4.153	5	1	IIBF	
COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC	587743919	CACYJZRFKJFASS-NIVTXAMTSA-N	425.254	4.137	5	1	IIBF	
CCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	2480421	XEMPGELYORPLAN-UHFFFAOYSA-N	439.424	4.184	5	1	IIBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1C	35819569	CXVCEHQWAIZMJU-UHFFFAOYSA-N	437.543	4.233	5	1	IIBF	
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	586937498	FPDFFENZRWBJLO-CQSZACIVSA-N	431.521	4.403	5	1	IIBF	
COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cccc([N+](=O)[O-])c3[nH]1)C(=O)OC2	586915619	OZIRJTKYHXNQFR-GHXNOFRVSA-N	437.452	4.286	5	1	IIBF	
COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)n5cc([N+](=O)[O-])cn5)[nH]c4c3)o2)cc1	587276951	OZDNMDDEFGCMIY-GFCCVEGCSA-N	431.412	4.003	5	1	IIBF	
C[C@@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587575931	LHWMNWMWXHHNBQ-REWPJTCUSA-N	434.404	4.050	5	1	IIBF	
O=C1C[C@@H](c2cccc(Cl)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1	13521540	AKDGPEOCWXIAPX-WWNPGLIZSA-N	437.883	4.343	5	1	IIBF	
CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)C(C)(C)[N+](C)([O-])[C@@H]1c1ccccc1	26254722	SIBBRESKFMTZJN-TUHVGIAZSA-N	433.549	4.030	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1	82147781	NOZONZPRCVFIPK-UZLBHIALSA-N	425.533	4.453	5	1	IIBF	
COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1	96167995	CUPBSYTVZMTNMJ-UHFFFAOYSA-N	442.453	4.048	5	1	IIBF	
COC(=O)c1ccc2nc3n(C)c4ccc(Br)cc4c(NCCCN)c-3c2c1	103146978	GLDDRZAYAOVGIG-UHFFFAOYSA-N	441.329	4.141	5	1	IIBF	
O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])cc2c(=O)nc(Nc3ccc(F)cc3)[nH]c12	137948996	PQAPDKITNOZTCN-UHFFFAOYSA-N	437.362	4.105	5	1	IIBF	
COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)C(=O)[C@@H](OC(C)=O)C(C)(C)O2	38269359	ZBGVUGFRAPQMKE-RUZDIDTESA-N	445.471	4.139	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1[N+](=O)[O-]	587081573	QPNCSGALKNZNNF-UHFFFAOYSA-N	435.787	4.409	5	1	IIBF	
CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1	587090910	BRCUZFIFLQFULN-UHFFFAOYSA-N	444.410	4.276	5	1	IIBF	
CCOc1ccc(-c2nn(-c3ncccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC	587670387	WRGSNUIZMIMPAA-UHFFFAOYSA-N	432.436	4.153	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cccc([N+](=O)[O-])c2)N1	587749134	XHQFDMJUMPEOME-HNDNADPKSA-N	434.309	4.350	5	1	IIBF	
CN1CCc2c(Br)cccc2[C@@H]1c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	963270673	QLRGQMIUACPIMZ-HXUWFJFHSA-N	427.302	4.335	5	1	IIBF	
COc1cc2c(cc1OC)[C@@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])N(C)[C@H](C)C2	962635751	MICWPWGSNKYOFI-MCMMXHMISA-N	447.919	4.386	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccccc3OC(F)(F)F)c1)C2	45283616	VNJXPCVPRDRZQO-HNNXBMFYSA-N	435.358	4.335	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc([N+](=O)[O-])cc2)N1	587746152	JHOGTDYJLVYMNP-GKKXHGIXSA-N	434.309	4.350	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1	587746160	JLYRHJXUYHYKLT-MPBGBICISA-N	445.292	4.056	5	1	IIBF	
COc1cc2oc3cc(OCCCCCCCO[N+](=O)[O-])cc(O)c3c(=O)c2cc1OC	1857633949	TZUJMXRYTLDAEQ-UHFFFAOYSA-N	447.440	4.207	5	1	IIBF	
COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC(C)C)c([N+](=O)[O-])cc1OC	773835	XDIBCJUJGOPZLE-UHFFFAOYSA-N	443.431	4.459	5	1	IIBF	
CN1C(=O)[C@H](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)NC(=O)c2cc(Cl)ccc21	40565310	YXHWHDPDUUONMR-FQEVSTJZSA-N	435.867	4.233	5	1	IIBF	
CC[C@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1	82135754	JIIYQWFNLBNJMI-HNNXBMFYSA-N	437.475	4.374	5	1	IIBF	
CN(C)CC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1	28898815	JIEPFEWJSJUYOR-UHFFFAOYSA-N	432.956	4.430	5	1	IIBF	
O=[N+]([O-])c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1[N+](=O)[O-]	586999192	VCVKOXGEGFFCPC-OWOJBTEDSA-N	433.174	4.041	5	1	IIBF	
CCOc1cc2oc(=O)c(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2cc1Br	587001439	ZTQVTZONDKHSED-UHFFFAOYSA-N	430.214	4.406	5	1	IIBF	
O=C(CNC(=O)OCc1ccccc1)NCc1nc2c3ccccc3c3ccccc3c2[nH]1	587226902	FOZZWACHVJNJOP-UHFFFAOYSA-N	438.487	4.412	5	1	IIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(Br)cc1[N+](=O)[O-]	587546520	OKSNSXUFJKOUGE-BEFAXECRSA-N	443.209	4.161	5	1	IIBF	
COc1cccc2cc3c(nc12)[C@H](c1cn(C)c(=O)c2cc4ccc(C)cc4nc12)NCC3	963035327	NAIBTTQQLDYBIT-SANMLTNESA-N	436.515	4.187	5	1	IIBF	
CC[C@@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1	82135753	JIIYQWFNLBNJMI-OAHLLOKOSA-N	437.475	4.374	5	1	IIBF	
Cc1nc(C(=O)NCc2ccccc2)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1	13478258	RKROUCRPAWJQCZ-QFIPXVFZSA-N	436.493	4.330	5	3	IIBF	
CC(C)(OC(=O)Nc1nc(OCc2ccccc2)c2nc[nH]c2n1)c1ccc([N+](=O)[O-])cc1	73199096	BCSGNLHUJCZFFL-UHFFFAOYSA-N	448.439	4.324	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	587747427	NTQDJSCOGKVDDA-DGIBIBHMSA-N	439.281	4.311	5	1	IIBF	
O=[N+]([O-])c1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-]	586959254	KFJBZMOPYQGXBV-HKBQPEDESA-N	436.449	4.418	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cccc([N+](=O)[O-])c3C)[nH]c2c1	587261924	KHSHGNQUZSRCRD-UHFFFAOYSA-N	438.465	4.256	5	1	IIBF	
CN(C)c1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963191213	YTESALVWJZHPPK-NVXWUHKLSA-N	443.809	4.021	5	1	IIBF	
Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2N)cc1	26378183	LLDXCXPWVDBVNS-UHFFFAOYSA-N	449.492	4.139	5	1	IIBF	
Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(O)c1	587240290	IGPAYCSJNQZMQJ-UHFFFAOYSA-N	447.407	4.242	5	1	IIBF	
CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	774192	KXXZXOZTQPPDKB-CQSZACIVSA-N	445.859	4.080	5	1	IIBF	
NCC1CCC(CNc2nc(NCc3ccccc3C(F)(F)F)ncc2[N+](=O)[O-])CC1	28898443	ARVQSIYISUWHIO-UHFFFAOYSA-N	438.454	4.193	5	1	IIBF	
CC[C@H]1Oc2c(ccc3c(=O)c4c(O)cc(O)cc4oc23)O[C@@H]1c1ccc(O)c(OC)c1	238754334	GTGMAIGXTZWZDI-OPAMFIHVSA-N	436.416	4.363	5	1	IIBF	
COc1cc([C@H]2NCCc3ccc(F)c(C)c32)ccc1OCn1nc(C)c([N+](=O)[O-])c1C	962145568	MTFFPRVOZIFKBI-JOCHJYFZSA-N	440.475	4.136	5	1	IIBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Br)ccc(Br)c2[nH]1	587267756	QBDODNVVGKHGRQ-UHFFFAOYSA-N	443.099	4.364	5	1	IIBF	
O=[N+]([O-])c1ccccc1N1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1	64559132	ZISQXFRQGSYGQN-UHFFFAOYSA-N	425.920	4.421	5	1	IIBF	
CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587141010	MKTWBFZVEJGEDB-QGZVFWFLSA-N	440.884	4.329	5	1	IIBF	
O=[N+]([O-])c1cc(CSc2nnc(CCCCCN3CCCCC3)o2)cc([N+](=O)[O-])c1	1772625509	TWASLZGEUHKWOF-UHFFFAOYSA-N	435.506	4.377	5	1	IIBF	
CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	773629	OBAYCMVEEGWGTB-AWEZNQCLSA-N	433.823	4.210	5	1	IIBF	
COc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)nn1-c1ccccc1F	587157273	ZKEDLEGLJYNUFK-UHFFFAOYSA-N	432.209	4.234	5	1	IIBF	
C[C@@H]1O[C@@H](n2c3ccccc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O	85599968	XRSXGTRHWJQWIW-LVPOYPBKSA-N	436.895	4.082	5	1	IIBF	
Nc1ncc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(-c2ccccc2Cl)n1	587061252	SQGBFSBYNPEDEM-UHFFFAOYSA-N	445.664	4.593	5	1	IIBF	
CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587748387	WRTCXQQKSMUWDJ-VVVCHXIZSA-N	425.254	4.224	5	1	IIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1cc([N+](=O)[O-])cn1)c1ccccc1	587573318	BCXGFWZBJMPLRK-QPPBQGQZSA-N	443.415	4.054	5	1	IIBF	
Cc1cccc2c(O)c3c(NCc4ccncc4)ccc(C(=O)NCCCN(C)C)c3nc12	299862905	KHGQPCYJRXDXMJ-UHFFFAOYSA-N	443.551	4.091	5	1	IIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2)nc1C(F)(F)F	587119024	UFQCDLKGBSREKO-UHFFFAOYSA-N	431.330	4.130	5	1	IIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)Nc1ccccc1)(c1ccc([N+](=O)[O-])cc1)O2	587391764	YMZQSRZWMOUJMS-XMMPIXPASA-N	431.448	4.375	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2[N+](=O)[O-])N1	587687617	VQOGADPSHBJGFI-MLXNANBUSA-N	445.086	4.278	5	1	IIBF	
O=[N+]([O-])c1cc(N[C@@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)ccc1CO	1857764866	ZXNZEBQHLUCVOY-QGZVFWFLSA-N	425.407	4.062	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1	82147783	NOZONZPRCVFIPK-JXFKEZNVSA-N	425.533	4.453	5	1	IIBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	587265457	ULJWBIPKJDBTTK-ZIDLFYJRSA-N	443.313	4.071	5	1	IIBF	
O=C(c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1)n1nc2cc1Oc1ccc(F)cc1-2	587874388	YKXYSHSYDFBXOB-UHFFFAOYSA-N	439.790	4.290	5	1	IIBF	
CCN(CC)S(=O)(=O)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1	586929931	DJBUWFXDOQPFLI-UHFFFAOYSA-N	431.521	4.357	5	1	IIBF	
Cc1ccc(NC(=O)CSCCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1	586970238	JDMWRKZVCIZGHA-UHFFFAOYSA-N	449.330	4.456	5	1	IIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587055257	NWNFCJAPZXAGFW-MRXNPFEDSA-N	435.799	4.299	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1F	587168075	RYHIQMJQZNQFDB-UHFFFAOYSA-N	436.421	4.279	5	1	IIBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	587265453	ULJWBIPKJDBTTK-MLXNANBUSA-N	443.313	4.071	5	1	IIBF	
COc1ccc([C@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587434461	VQKQPULQVJKRLF-NLFFAJNJSA-N	431.444	4.498	5	1	IIBF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1	962981662	VMKLSKUBGCVPMK-YLJYHZDGSA-N	445.809	4.277	5	1	IIBF	
Cc1c2ccccc2nc2c1c(C(F)(F)F)nn2CC(=O)Nc1ccc([N+](=O)[O-])cc1	1772657571	UDNMBPGJHJYFFD-UHFFFAOYSA-N	429.358	4.459	5	1	IIBF	
CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)CC1	1911578117	SBHQTAXEQDOAAM-UHFFFAOYSA-N	432.480	4.391	5	1	IIBF	
O=[N+]([O-])c1c(Br)ccc2nc(-c3cnn4cccc(Br)c34)[nH]c12	587006394	IROBINCSQRSEOX-UHFFFAOYSA-N	437.051	4.311	5	1	IIBF	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1	587280264	QKRMSYIYLCKPBD-UHFFFAOYSA-N	430.482	4.383	5	1	IIBF	
CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587428167	XMWILLDOXMCXRA-HOYKHHGWSA-N	434.423	4.475	5	1	IIBF	
COCCOc1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1[N+](=O)[O-]	587266372	VKYJTDIKMDBHNA-UHFFFAOYSA-N	432.305	4.212	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1	587750221	HFQDMZJHJJVIPK-YYSFKGJASA-N	432.249	4.374	5	1	IIBF	
Cc1cccnc1[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21	962732190	XZVWSJWTBQJKQB-KNQAVFIVSA-N	441.409	4.236	5	1	IIBF	
CCN1C(N2CCCCC2)=Nc2ccccc2[C@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1	45337389	YAOXFFYENABBKR-JOCHJYFZSA-N	435.528	4.151	5	1	IIBF	
O=[N+]([O-])c1ccc([C@@H](c2ccc(O)cc2O)c2cc(Br)c(O)cc2O)cc1	73196138	JVHQYPMCINMMEJ-IBGZPJMESA-N	432.226	4.360	5	1	IIBF	
C[C@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587576143	MSLWPPULACDLLS-XUZZJYLKSA-N	449.415	4.154	5	1	IIBF	
CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12	962668639	OLTNBFLVRVBQQM-LOSJGSFVSA-N	444.491	4.377	5	1	IIBF	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2N1	587124799	CJRQXNZCNJCELS-WKEGUHRASA-N	445.199	4.405	5	1	IIBF	
COc1cc2c3c(c1)O[C@H](c1c(-c4cccc([N+](=O)[O-])c4)nc4ccccn14)[C@@H](C2)C3=O	587434162	RSQJVAYBYPWWNT-XDHUDOTRSA-N	427.416	4.407	5	1	IIBF	
COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@H]2OC)ccc1O	238767051	IOXDNARANVBWEM-GBXCKJPGSA-N	436.416	4.154	5	1	IIBF	
CC(=O)Nc1cc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-]	586987189	LBSWYSKURYPGQG-UHFFFAOYSA-N	441.399	4.391	5	1	IIBF	
COC(=O)c1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c(F)c1Nc1ccccc1	587273674	JZQDLWBKVJTLEG-GFCCVEGCSA-N	438.419	4.141	5	1	IIBF	
Cc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-]	587661036	LEZBVQSVGIHKGS-UHFFFAOYSA-N	433.395	4.138	5	1	IIBF	
CC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1	1772635842	ZEYNQYPUQQIQDP-UHFFFAOYSA-N	445.544	4.102	5	1	IIBF	
C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	34802142	RKQTVVAARMPEBJ-SYQKMTEESA-O	426.584	4.417	5	1	IIBF	
O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2cccc(Cl)c2)CC1	72107548	HYAZUXSLYKBAED-UHFFFAOYSA-N	447.970	4.201	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1	82134424	XPOFJPCRSMATDI-OXJNMPFZSA-N	425.533	4.453	5	1	IIBF	
O=C(CCCN1CCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	96258304	ALKHOFYVGYELHW-UHFFFAOYSA-N	439.519	4.297	5	1	IIBF	
Cc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Br	586927207	UFKKRXSJPDZSCL-UHFFFAOYSA-N	444.694	4.266	5	1	IIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc([N+](=O)[O-])cc1Br	587866595	GWRBXCGXNCTFEW-UHFFFAOYSA-N	444.167	4.027	5	1	IIBF	
COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OCC(=O)C1CC1	1857538410	AJYNFSURSZUIAS-UHFFFAOYSA-N	428.464	4.085	5	1	IIBF	
CN1C(=O)[C@H](Cc2ccc(-c3ccccc3[N+](=O)[O-])cc2)NC(=O)c2cc(Cl)ccc21	40564196	KLUDPYKIPAWNTH-IBGZPJMESA-N	435.867	4.233	5	1	IIBF	
O=C(NCC1CC1)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1	82135163	XVOKDAYVFJZZPT-UHFFFAOYSA-N	437.887	4.457	5	1	IIBF	
CCOc1cc(C2=NC(=O)N[C@@H](c3cccnc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O	169702740	CKPKDXIVCGGHEH-MSOLQXFVSA-N	438.465	4.193	5	1	IIBF	
CS(=O)(=O)c1cc(-c2nc3cc(Br)c(F)cc3[nH]2)cc([N+](=O)[O-])c1Cl	586925327	GUGGRTRCZREUOG-UHFFFAOYSA-N	448.657	4.097	5	1	IIBF	
Cc1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-]	586961817	SZPMITQFHRAITN-JJXUHFIVSA-N	440.525	4.474	5	1	IIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnc(C(F)(F)F)[nH]c-2n1	587056909	VYYUBFXFWUGASI-LBPRGKRZSA-N	442.785	4.012	5	1	IIBF	
Cn1c(-c2ccc(OCCOCCO)cc2)[n+](C)c2c3ccccc3c3ccccc3c21	95563201	HSWOZQUJCOGGOT-UHFFFAOYSA-N	427.524	4.364	5	1	IIBF	
COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	96167996	PQWDVBOQEMNVRE-UHFFFAOYSA-N	442.453	4.048	5	1	IIBF	
O=C(NCC1CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085211	HMZQXFTYHIHYDX-IBGZPJMESA-N	442.541	4.019	5	1	IIBF	
Nc1ncc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(-c2ccccc2Cl)n1	587060556	IWNNFYGHGRAJED-UHFFFAOYSA-N	445.664	4.593	5	1	IIBF	
NCC1CCC(CNc2nc(NCc3cc(Cl)cc(Cl)c3)ncc2[N+](=O)[O-])CC1	28898593	PCDRKUYQBURZHB-UHFFFAOYSA-N	439.347	4.481	5	1	IIBF	
O=[N+]([O-])c1cnc(N[C@@H](CO)Cc2ccccc2)nc1Nc1ccc(Cl)c(Cl)c1	64503557	HRBBCJQKUAHSIT-CQSZACIVSA-N	434.283	4.451	5	1	IIBF	
Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc12	1772575239	RBFVQMZQKLKXRQ-UHFFFAOYSA-N	430.221	4.084	5	1	IIBF	
CCO[C@H](C)Oc1cc2ncnc(Nc3ccc(C)c([N+](=O)[O-])c3)c2c2c1OCCO2	653905735	HWZKUDPVOFVABK-ZDUSSCGKSA-N	426.429	4.123	5	1	IIBF	
CC(C)(C)OC(=O)NC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCC(O)CC1	587237284	QMQPJPLSCSQGRF-UHFFFAOYSA-N	433.512	4.314	5	1	IIBF	
CCCCOc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1[N+](=O)[O-]	587276684	RFVNCEXTNHDLHL-UHFFFAOYSA-N	449.257	4.401	5	1	IIBF	
O=C1c2ccccc2C[C@@]23C4=C(NCCC4=NC[C@@H]12)c1nccc2c1c3nc1ccccc12	2356848624	PGWPQBKCTVOMEI-VKGTZQKMSA-N	428.495	4.249	5	1	IIBF	
NCC1CCC(CNc2nc(NCc3cccc(Cl)c3Cl)ncc2[N+](=O)[O-])CC1	28898532	ZDPPDDUFJSLJBY-UHFFFAOYSA-N	439.347	4.481	5	1	IIBF	
O=[N+]([O-])c1cc(-c2nc3c(O)nc(O)nc3[nH]2)ccc1Sc1nc2ccccc2s1	587036993	CPRSOCBOYGOTID-UHFFFAOYSA-N	438.450	4.100	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1	587749774	FSJHTSMDSIRHNI-UGZDLDLSSA-N	432.249	4.374	5	1	IIBF	
O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccccc2Cl)CC1	72111166	GALMXPUSCAVBDI-UHFFFAOYSA-N	447.970	4.201	5	1	IIBF	
COc1ccccc1/C=C\c1ncc([N+](=O)[O-])n1CCOC(=O)c1c[nH]c2ccccc12	299832858	WUIRQLFAEGIHGZ-KHPPLWFESA-N	432.436	4.309	5	1	IIBF	
CN(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1	586928615	FYQWCHQUIJGINL-UHFFFAOYSA-N	437.912	4.133	5	1	IIBF	
Cc1nn(Cc2ccccc2-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C)c1[N+](=O)[O-]	587267634	NXSSDSKUEFMRCZ-UHFFFAOYSA-N	431.431	4.325	5	1	IIBF	
CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12	587272195	PMFGWPDPDZGROE-UHFFFAOYSA-N	438.465	4.181	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1	587748787	WMUBJPUHKQXGHK-LKFCYVNXSA-N	425.302	4.151	5	1	IIBF	
C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135765	HWSRUZBCRDMDSD-ROUUACIJSA-N	445.523	4.464	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	587261881	DLSVSPDPIJVDQG-VIFPVBQESA-N	435.339	4.144	5	1	IIBF	
NC(=O)c1cc(N2CCC(c3nc4cc(Cl)cc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-]	587262896	HHVJSFUSHAITFN-UHFFFAOYSA-N	434.283	4.261	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587263063	JYGFPNBHFNKTCG-VIFPVBQESA-N	434.792	4.384	5	1	IIBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	587273485	BPXRFUQMWPAWHK-UHFFFAOYSA-N	428.246	4.213	5	1	IIBF	
O=C(Cc1ccccc1)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1	1857606722	VXJROJWYOXYHNB-QHCPKHFHSA-N	444.491	4.255	5	1	IIBF	
COCCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1	82135962	IAFGEXJKHLZKAY-UHFFFAOYSA-N	443.548	4.254	5	1	IIBF	
CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1	587271918	LIONFZLBGOMWRK-UHFFFAOYSA-N	438.465	4.181	5	1	IIBF	
O=C(c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1)n1ncc2ccc(Cl)cc2c1=O	587653390	VCQBHJQTXLEMKR-UHFFFAOYSA-N	435.823	4.226	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cccc([N+](=O)[O-])c2)N1	587744834	GBHYBZFOBZRJPF-JEOXALJRSA-N	436.281	4.275	5	1	IIBF	
CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)CC1	28961927	VPVYRYSJZWQOKS-LJQANCHMSA-N	442.472	4.111	5	1	IIBF	
Cc1cc2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2cc1[N+](=O)[O-]	586955601	SNVJCRNSMHZULI-UHFFFAOYSA-N	442.541	4.471	5	1	IIBF	
COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587065515	SGYVZUOLHXCAEI-UHFFFAOYSA-N	440.637	4.287	5	1	IIBF	
N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1	1550218	IDFDGLCIRPBHPZ-UHFFFAOYSA-N	430.420	4.027	5	1	IIBF	investigational
O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1[N+](=O)[O-]	13608799	TYHIPEJQVKIDKD-ONEGZZNKSA-N	449.338	4.010	5	1	IIBF	
CCOC(=O)Oc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(CC)CC)c2c1	27548553	KDBYLCAGGWXYOJ-UHFFFAOYSA-N	439.472	4.456	5	1	IIBF	
Cc1ccccc1S(=O)(=O)N1[C@@H](c2ccc(Cl)cc2)C(C(=O)NO)=C[C@H]1C(C)(C)C	199883637	NLTMCQQJHNELBY-PMACEKPBSA-N	448.972	4.241	5	1	IIBF	
O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cc1Cl	586970275	VVNNRJMALLGLMS-UHFFFAOYSA-N	431.817	4.196	5	1	IIBF	
O=c1c([C@H](Nc2ccc([N+](=O)[O-])cc2)c2nnnn2C2CCCCC2)coc2ccccc12	103269336	PNXWPJDQYQBNSI-NRFANRHFSA-N	446.467	4.394	5	1	IIBF	
CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587746338	MRZSDJTXWRHTBD-VVVCHXIZSA-N	425.254	4.224	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@H](OC)[C@H](C)C=CCC(=O)OC	1857622724	ODXWPZBXBHPTPI-LYDRAKHJSA-N	439.505	4.096	5	1	IIBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	587266068	VELKUJFIJDGLEU-JTQLQIEISA-N	445.195	4.201	5	1	IIBF	
COc1ccc(OC)c2c1s/c(=N/C(=O)c1cc3c(ccc4ccccc43)oc1=O)n2C	9489635	GYICVMPXNVYLHV-OCOZRVBESA-N	446.484	4.258	5	1	IIBF	
COc1ccc2c(c1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)COC2(C)C	25971560	NBAABNIQTXXNFE-UHFFFAOYSA-N	443.525	4.273	5	1	IIBF	
CCN(CC)CCOc1ccc2c(=O)c3cc(F)c(OCCN(CC)CC)cc3[nH]c2c1	1857557299	OQTMGMFSBYKOFE-UHFFFAOYSA-N	443.563	4.262	5	1	IIBF	
O=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCN1CCNCC1)c1ccccc1-2	1857578295	JLPXBELNAFBHCZ-UHFFFAOYSA-N	427.504	4.448	5	1	IIBF	
C[C@@H](NC(=O)c1cccc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc12)[C@H](O)c1ccc(Cl)cc1	71315848	LPSCVCPFKCAOHO-WYRIXSBYSA-N	440.843	4.236	5	1	IIBF	
CCOC(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587057472	XGARMDVFVJEPCX-GOSISDBHSA-N	444.875	4.428	5	1	IIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(Br)cc3[nH]2)CC1	587269240	JDDNIRYWJPPNBT-UHFFFAOYSA-N	429.274	4.253	5	1	IIBF	
COc1cc2c3c(c1)OC1(c4cc([N+](=O)[O-])ccc4-c4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O	587434811	ZYXXBBXFRQLMLS-IBGZPJMESA-N	430.372	4.183	5	1	IIBF	
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(-n4ccnc4)cc3)ncc2[N+](=O)[O-])c1	1772631233	QJDZQTWIVCSFGX-UHFFFAOYSA-N	442.439	4.182	5	1	IIBF	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC)nc1-c1cccc([N+](=O)[O-])c1	82135489	VUJARKSJSAHSJU-UHFFFAOYSA-N	433.512	4.479	5	1	IIBF	
CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc([N+](=O)[O-])ccc1SCc1ccco1)NCC2	962929281	IJFKCMCTUQMQDP-QFIPXVFZSA-N	437.521	4.417	5	1	IIBF	
CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C(F)(F)C1	587132142	KYFJSUOSQFWPTA-QMMMGPOBSA-N	447.236	4.203	5	1	IIBF	
COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1OCC(=O)NC(C)C	587218298	IDAWZRYMEQGIRP-UHFFFAOYSA-N	441.491	4.238	5	1	IIBF	
CNc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-]	587388860	HATVCURGQNTZSX-DEOSSOPVSA-N	447.447	4.134	5	1	IIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	587743925	CAETYWXGRXYUBV-LZVRBXCZSA-N	425.254	4.137	5	1	IIBF	
C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCC1CCCCC1	82083702	IEQDGVDEJHVQQQ-AWEZNQCLSA-N	431.514	4.350	5	1	IIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCCCO3	587058034	ZPEWRJUYMKKBKR-IBGZPJMESA-N	444.875	4.413	5	1	IIBF	
Cc1onc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079938	PJTLETRDYNNSPS-UHFFFAOYSA-N	444.732	4.491	5	1	IIBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Br)c(Br)cc2[nH]1	587267543	MRIANDYRYLNDLV-ZETCQYMHSA-N	429.072	4.110	5	1	IIBF	
Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)NCc3cccc(Br)c3)cc12	653782747	NNLAJSUPDKVLFC-UHFFFAOYSA-N	439.265	4.020	5	1	IIBF	
O=c1c2c(oc3cc(C(F)(F)F)ccc13)N1C[C@@H]3CCC[N@@+]4([O-])CCC[C@@H]([C@H]34)[C@H]1CC2	1857609608	VTENJSKZUAUBDD-XZUBBPOWSA-N	434.458	4.450	5	1	IIBF	
CNC(=O)c1cc(-c2ccc3c(ccc4ccccc43)c2)n(-c2ccc(NC(=O)CN)cc2)n1	72119639	FMUZYSMRUAUHFS-UHFFFAOYSA-N	449.514	4.103	5	1	IIBF	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1	653822605	AKHORBVDJWDXKB-IBGZPJMESA-N	426.473	4.421	5	1	IIBF	
CC(C)OC(=O)[C@H]1C(C(C)C)=NC(=O)N(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	169730109	RWSBQRWSUJGFGX-FUHWJXTLSA-N	433.461	4.281	5	1	IIBF	
CCOC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587575885	LENBRZNMVGPUTK-QPPBQGQZSA-N	449.415	4.111	5	1	IIBF	
O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)c([N+](=O)[O-])c1	1857577186	XVXNHWFEOPSZPM-TXEJJXNPSA-N	446.376	4.155	5	1	IIBF	
O=C(c1ccncc1)n1nc(-c2ccccc2[N+](=O)[O-])cc1-c1cc2ccccc2oc1=O	103187680	QBJXDJAPKWRERQ-UHFFFAOYSA-N	438.399	4.315	5	1	IIBF	
O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSC4CCCCC4)cc3c(=O)c2c1	169321964	SQPZHSUKFHTZBL-HNNXBMFYSA-N	428.506	4.450	5	1	IIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)cc4)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587434090	RAEQHWYIYYPALC-FDDCHVKYSA-N	431.400	4.457	5	1	IIBF	
Nc1ncc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	587268424	XDNOJYIODKAUJA-UHFFFAOYSA-N	440.257	4.457	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)s1)C2	45317003	LKZIFOKEJUDMKR-ZDUSSCGKSA-N	441.387	4.396	5	1	IIBF	
COc1cc2cc(CN3CCCC[C@@H]3C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC	103203812	SCKWFAPPMSMUGM-HXUWFJFHSA-N	439.508	4.467	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c1)CC2=O	587471221	OXBYDMOLDXXNMO-JOCHJYFZSA-N	437.452	4.213	5	1	IIBF	
CC1=C(C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC/C=C/c2ccccc2)=C(C)N1	28568000	ULEJCAREEWJVCF-FNNXTJRKSA-N	434.448	4.171	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	587728883	UEMMZYICEKLBJM-LZVRBXCZSA-N	427.245	4.442	5	1	IIBF	
CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	2482285	QCJUOLPXSXOEGV-UHFFFAOYSA-N	427.388	4.315	5	1	IIBF	
CCN(CC)CCOc1ccc2c(=O)c3c(OCCN(CC)CC)cccc3oc2c1	34064320	IMPMKHCYKPOZGD-UHFFFAOYSA-N	426.557	4.387	5	1	IIBF	
N=C(N)c1cccc(OCCCOc2cccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)c1	45167820	DEVXWAZDSRFRCW-UHFFFAOYSA-N	449.467	4.371	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1	587748593	AFIIFPLHZFWFKG-YYSFKGJASA-N	433.233	4.226	5	1	IIBF	
Cc1c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586979360	BCPRGPKPXMZIJU-UHFFFAOYSA-N	431.290	4.041	5	1	IIBF	
N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1	586997817	VSABDRLTJCCQCJ-LLVKDONJSA-N	440.095	4.239	5	1	IIBF	
CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587048404	AIUHICVDXCZURF-WEVVVXLNSA-N	434.905	4.373	5	1	IIBF	
CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(Br)c1[N+](=O)[O-]	587937279	PDJQFBJPLVCGRU-JTQLQIEISA-N	428.239	4.283	5	1	IIBF	
O=C(O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1	43061573	UQSRLNYPAPLJBP-CMAULLTDSA-N	440.610	4.398	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC2=O	587472955	OVQKYSGTDSZNND-JOCHJYFZSA-N	428.441	4.014	5	1	IIBF	
CCc1ccccc1Sc1ccc(/C=C/C(=O)N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-]	13814858	MDLWTUYIAFVKGK-PKNBQFBNSA-N	439.537	4.012	5	1	IIBF	
C[N+]1(C[C@H]2c3ccc(O)cc3CCN2C(=O)[C@@H]2CC(=O)c3ccc(Cl)cc32)CCCC1	209477133	ZYRPWNDVFDXCNJ-PKTZIBPZSA-O	439.963	4.082	5	1	IIBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1	35998043	IQOPTPWQQQOGLW-UHFFFAOYSA-N	437.543	4.233	5	1	IIBF	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	586936001	LACKBQPVJZZZBG-HNNXBMFYSA-N	448.570	4.169	5	1	IIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)c([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O	587432817	LVDFTXRKRYXZBK-FDDCHVKYSA-N	431.400	4.457	5	1	IIBF	
C[C@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587575927	LHWMNWMWXHHNBQ-NZQKXSOJSA-N	434.404	4.050	5	1	IIBF	
COc1cc2oc3cc4c(c(O)c3c(=O)c2c(CC=C(C)C)c1OC)C[C@H](C(C)(C)O)O4	14586275	ASLBIZLCWCSZGR-LJQANCHMSA-N	440.492	4.252	5	1	IIBF	biogenic
CCN(C)c1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc([N+](=O)[O-])c2)n1	82135908	KIEWAWHYNPVPRD-UHFFFAOYSA-N	425.876	4.091	5	1	IIBF	
COc1cccc(CN2CCN(CCOc3ccc4c(c3)oc(=O)c3ccccc34)CC2)c1	222001762	XMXDGPFCJLHNBV-UHFFFAOYSA-N	444.531	4.151	5	1	IIBF	
CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)C(C)(C)[N@+](C)([O-])[C@H]1c1ccccc1	253854759	SIBBRESKFMTZJN-RXFWQSSRSA-N	433.549	4.030	5	1	IIBF	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586974979	ZOFDXUFUMJEOLI-HNNXBMFYSA-N	449.330	4.344	5	1	IIBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1	587269801	QPMYUNABAILSBD-UHFFFAOYSA-N	440.403	4.032	5	1	IIBF	
CCOC(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587578359	WMAHSYYHFUJBJK-QPPBQGQZSA-N	449.415	4.111	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1	587734374	RAFSRUCTNTVRIG-YYSFKGJASA-N	425.229	4.196	5	1	IIBF	
O=C(O)c1cc2[nH]c([C@@H]3CCOC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	586911165	FLFXWYZLXGNRPO-GFCCVEGCSA-N	442.427	4.349	5	1	IIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(F)cc(Br)c3[nH]2)CC1	587270289	URGBYDSKXQOMJZ-UHFFFAOYSA-N	447.264	4.393	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CC)n1cc([N+](=O)[O-])cn1	587866375	ZHJAFXQHARTQQJ-INIZCTEOSA-N	437.378	4.364	5	1	IIBF	
CCCN1Cc2c(c3cc(OC)c(OC)c(OC)c3c3cc(OC)c(OC)cc23)[C@@H](O)C1	95572142	YQAXKYBPGHUTRM-SFHVURJKSA-N	441.524	4.295	5	1	IIBF	
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SC(N)=N2	5852570	DMGXLKKZVBSGHX-INIZCTEOSA-N	427.873	4.224	5	1	IIBF	
O=[N+]([O-])c1cnc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c1	587166342	XRWGWJXSDSPJMO-UHFFFAOYSA-N	429.415	4.343	5	1	IIBF	
CCCCNC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1	82081854	QMLLDKLNKCRNLZ-UHFFFAOYSA-N	438.509	4.178	5	1	IIBF	
O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](OC/C=C\c2ccccc2)CC1	103220631	OMDRYSYIAZWLPV-ANIGNSTFSA-N	426.904	4.148	5	1	IIBF	
CN1c2ccccc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1	13525974	AFTQTQYOCCPHGK-OAQYLSRUSA-N	428.492	4.071	5	1	IIBF	
COc1cc(CNC(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc(OC)c1OC	84705194	TURHVSRICKUBNE-UHFFFAOYSA-N	446.843	4.464	5	1	IIBF	
O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587202455	IKDPPBOPMKNSDN-OAQYLSRUSA-N	441.447	4.102	5	1	IIBF	
Cc1cc(-c2ccc(/C=C3/NC(=O)N(c4ccc(C(=O)O)cc4)C3=O)o2)c([N+](=O)[O-])cc1C	1857618993	CZAALUXQPNKLCF-WOJGMQOQSA-N	447.403	4.267	5	1	IIBF	
O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1	82149762	NIJGFELHJJVSLF-UHFFFAOYSA-N	449.486	4.472	5	1	IIBF	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2N1	587124795	CJRQXNZCNJCELS-QUBYGPBYSA-N	445.199	4.405	5	1	IIBF	
COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O	587507913	DELLHBFRNUKBSE-CWTRNNRKSA-N	441.436	4.041	5	1	IIBF	
CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1	587936335	CDTXWUAZPWAXKZ-AWEZNQCLSA-N	425.441	4.373	5	1	IIBF	
Cc1cc(C(=O)O)nn1Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1	40762890	PEFWYQSRMAXILL-UHFFFAOYSA-N	446.257	4.188	5	1	IIBF	
CS(=O)(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3)c2c1	587650367	KFKFMWHUUNVIGN-UHFFFAOYSA-N	435.461	4.399	5	1	IIBF	
O=S(=O)(c1ncccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1)C(F)(F)F	587127164	MXKHAINRTYLXHY-UHFFFAOYSA-N	429.383	4.015	5	1	IIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O	587432687	KSWHAILSKKWRQQ-WMZHIEFXSA-N	431.400	4.311	5	1	IIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	587743927	CAETYWXGRXYUBV-NIVTXAMTSA-N	425.254	4.137	5	1	IIBF	
Cc1ccc(S(=O)(=O)N[C@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)cc1	473156134	SMSPZPWPVJTERV-SFHVURJKSA-N	443.528	4.231	5	1	IIBF	
COc1cc2c(cc1O)[C@@H]1C[C@H](C[C@H]3CCCC[N+]13[O-])OC(=O)CCc1ccc(O)c-2c1	238789552	JEBRWFRBSIROFF-DEXDIIPSSA-N	439.508	4.333	5	1	IIBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	587273711	KRJODGDIGPDYEB-SSDOTTSWSA-N	434.172	4.132	5	1	IIBF	
COc1cccc(-c2nn(C)c3sc(C(=O)Nc4cc([N+](=O)[O-])ccc4OC)cc23)c1	20233387	APEBYPGOSSIQKB-UHFFFAOYSA-N	438.465	4.480	5	1	IIBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	587266034	ULAGVCVKUNJDOE-JTQLQIEISA-N	445.195	4.201	5	1	IIBF	
O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1)C(F)(F)F	962727747	AONJJWDUEBNFSI-ZFWWWQNUSA-N	434.292	4.229	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1	82147788	NOZONZPRCVFIPK-OXJNMPFZSA-N	425.533	4.453	5	1	IIBF	
Cn1cc(-c2cnc3ccc4ccc(CC(=O)NCc5ccccc5)cc4c(=O)c3c2)cn1	95582970	DAOPPXODFZKNTO-UHFFFAOYSA-N	434.499	4.008	5	1	IIBF	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586935243	CRZYSRDLTVHTHJ-INIZCTEOSA-N	443.312	4.454	5	1	IIBF	
COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC	587743676	BFFVXIWRQVQZTI-DYBLOJMWSA-N	425.254	4.137	5	1	IIBF	
CC[C@@H](C)Nc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1	82135846	IAQFEQBMMRNURA-OAHLLOKOSA-N	437.475	4.374	5	1	IIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)O)c([N+](=O)[O-])c4)cc1)[C@@H](C2)C3=O	587432820	LVDFTXRKRYXZBK-MBSDFSHPSA-N	431.400	4.457	5	1	IIBF	
COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCn1cc([N+](=O)[O-])cn1	587513454	SUPPNLYXTCIVFS-JOCHJYFZSA-N	449.463	4.422	5	1	IIBF	
CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCC(C)(C)CO	4273956	RWHJDRBLOISBEM-RBUKOAKNSA-N	439.940	4.397	5	1	IIBF	
c1ccc2cc3c(NCCCn4ccnc4)nnc(NCCCn4ccnc4)c3cc2c1	29134204	SBZCZZOREPDZOU-UHFFFAOYSA-N	426.528	4.180	5	1	IIBF	
COCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2cccc([N+](=O)[O-])c2)n1	82136165	QEDMNSSAODELNV-UHFFFAOYSA-N	449.511	4.161	5	1	IIBF	
CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	587228982	WUFJJLCCSQXSJH-UHFFFAOYSA-N	440.463	4.158	5	1	IIBF	
C[C@](O)(CSc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857592440	JGEITDDJBCVTLM-INIZCTEOSA-N	436.358	4.374	5	1	IIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c3c1OCCO3)O2	587379136	SYYGDZSXAKXZSU-IBGZPJMESA-N	439.251	4.444	5	1	IIBF	
O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(F)c([N+](=O)[O-])c(F)c2)N1	963191354	PABVXXMDEPGUOX-RISCZKNCSA-N	436.720	4.234	5	1	IIBF	
COc1ccc(CC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1[N+](=O)[O-]	587862932	LYFJQWVVCSTQEV-UHFFFAOYSA-N	435.358	4.377	5	1	IIBF	
Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1	587575716	KQIMOCUEPJMLQN-RDPSFJRHSA-N	443.415	4.404	5	1	IIBF	
CCOC(=O)N1C(C(F)(F)F)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1ccccc1[N+](=O)[O-]	26493389	VVNNIDBFXIMJFS-OAHLLOKOSA-N	443.378	4.294	5	1	IIBF	
O=C(O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1	1857619020	ISYJFICEZXSCQP-JOMKWTIYSA-N	428.552	4.275	5	1	IIBF	
CC1=Nc2cc(=O)n(Cc3ccccc3)n2[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)OC(C)C	102211747	NZLHXTCRFHPDJS-FEYWKWKCSA-N	448.479	4.496	5	1	IIBF	
C[C@@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587554229	CMNBFWNNQXJJBH-GCJKJVERSA-N	425.368	4.108	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccccn3)c2c1	587620223	AUVVHESUIXHWFY-UHFFFAOYSA-N	438.465	4.256	5	1	IIBF	
COc1cccc(-c2cccc(-n3c(O)ccc3OCCn3c([N+](=O)[O-])cnc3C)c2)c1	587925394	HEJORIXKFYMWFH-UHFFFAOYSA-N	434.452	4.351	5	1	IIBF	
CCCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1	82134551	DYQOIXGWCHLRDU-UHFFFAOYSA-N	437.475	4.375	5	1	IIBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC/C=C/c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	169723569	BTOSRYCUFZLVHX-DCFBGRPWSA-N	448.475	4.473	5	1	IIBF	
O=[N+]([O-])c1c(Br)ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12	587120324	YFHFHOIBNZJQIM-UHFFFAOYSA-N	444.211	4.376	5	1	IIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	587747447	NTVZGJBXCAOVDI-YYSFKGJASA-N	425.254	4.137	5	1	IIBF	
O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F	586961249	QRNBCSFMWIRCAR-GMVOTWDCSA-N	444.488	4.305	5	1	IIBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(I)cc3[nH]2)c1	587269058	JHEMJBGZRBYWCJ-UHFFFAOYSA-N	434.237	4.343	5	1	IIBF	
COc1cc2c(cc1OC)[C@H](c1ccc(OC(F)(F)F)cc1[N+](=O)[O-])N(C)[C@H](C)C2	962628185	OOZXYNOWCIBZEF-WYRIXSBYSA-N	426.391	4.476	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@H](OC)[C@H](C)/C=C/CC(=O)OC	254017710	ODXWPZBXBHPTPI-KCNDLEOISA-N	439.505	4.096	5	1	IIBF	
O=[N+]([O-])c1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12	587156885	ACDZDGYSJZSIDT-UHFFFAOYSA-N	432.209	4.208	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cc1F	587154918	VGBBDIQRJDOUOB-UHFFFAOYSA-N	430.392	4.217	5	1	IIBF	
CN(C)c1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963191217	YTESALVWJZHPPK-RDJZCZTQSA-N	443.809	4.021	5	1	IIBF	
COC[C@H](C)Oc1cc(/C=C/c2cccc([N+](=O)[O-])c2)cc(C(=O)Nc2ccn(C)n2)c1	95596474	FFEVPPCSFASWEH-WAVCKPEOSA-N	436.468	4.165	5	1	IIBF	
CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1	586955250	NTUDYLJLAXGJHX-UHFFFAOYSA-N	428.514	4.163	5	1	IIBF	
COc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1[N+](=O)[O-]	587577539	SKEGTHZAPSFAIV-CVDCTZTESA-N	432.388	4.493	5	1	IIBF	
C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cn[nH]c6)cc5c43)cc21	209010344	ILXFYIOJPFUYGX-UHFFFAOYSA-N	433.471	4.004	5	1	IIBF	
O=Cc1cc(Br)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1	586981756	NZKXTCAJHFBKQY-UHFFFAOYSA-N	425.036	4.476	5	1	IIBF	
CCN(CC)CCC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	96258322	LTWZXZXZDDZMED-UHFFFAOYSA-N	427.508	4.153	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1	587748791	WMUBJPUHKQXGHK-OTYXRUKQSA-N	425.302	4.151	5	1	IIBF	
O=C1CC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc([N+](=O)[O-])ccc1N=C3NC1CCCCC1	61958539	HVWGUVUPHIRFLY-CYLLCJIISA-N	437.544	4.132	5	3	IIBF	
CCCCNC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc([N+](=O)[O-])c1	82214810	FVPNVKYYHAUNKI-UHFFFAOYSA-N	449.511	4.245	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	587749169	XRMPGJOYMXUXBX-APBUJDDRSA-N	439.281	4.311	5	1	IIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cccc(Br)c3[nH]2)CC1	587269725	NBZMJFZESNUJBJ-UHFFFAOYSA-N	429.274	4.253	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1	587722377	YMQVBPSYPKCSFY-YYSFKGJASA-N	427.245	4.333	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1	587744697	FHEGVUUOGUPTLN-UOAFAEJXSA-N	435.249	4.024	5	1	IIBF	
CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1	653842797	XAQRRASUCCDCBL-UHFFFAOYSA-N	442.825	4.271	5	1	IIBF	
CN(CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	587194231	ONBAWOVDGJIUAX-UHFFFAOYSA-N	443.463	4.290	5	1	IIBF	
COc1cc2c3c(c1)O[C@@](c1ccc([N+](=O)[O-])cc1)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O	587431791	GPURTTSCIGCCEU-CVDCTZTESA-N	432.388	4.203	5	1	IIBF	
CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCC(C)(C)CO	4273961	RWHJDRBLOISBEM-OALUTQOASA-N	439.940	4.397	5	1	IIBF	
C[N+]1(C[C@@H]2c3ccc(O)cc3CCN2C(=O)[C@H]2CC(=O)c3ccc(Cl)cc32)CCCC1	209477166	ZYRPWNDVFDXCNJ-XZOQPEGZSA-O	439.963	4.082	5	1	IIBF	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ncc(I)cc3[nH]2)o1	587264521	HHSHUIXPKCAPHM-UHFFFAOYSA-N	432.177	4.398	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21	587471523	SSANDFFLMFZZDG-RUZDIDTESA-N	445.427	4.412	5	1	IIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O	587577896	UNRNVGJERUDSRW-XXBNENTESA-N	431.356	4.110	5	1	IIBF	
CN(C)CCn1[nH]c2c3cc(OC(=O)c4ccccc4)ccc3nc3c([N+](=O)[O-])ccc1c32	27546424	SXWWHHIGJHJDTB-UHFFFAOYSA-N	443.463	4.360	5	1	IIBF	
OCCNCC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1	27652323	PNOLZGHEBLRERG-BGABXYSRSA-N	449.558	4.357	5	1	IIBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC/C=C/c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723567	BTOSRYCUFZLVHX-DTRLIKKFSA-N	448.475	4.473	5	1	IIBF	
COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@@H](OC(C)=O)C(C)(C)O2	26834308	HASGNUDNTDDOTK-JOCHJYFZSA-N	431.488	4.499	5	1	IIBF	
CN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O	58506711	GAZXQZAAZQGUAS-UHFFFAOYSA-N	431.423	4.189	5	1	IIBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	587274599	QMNRVWZSSKXFBU-ZETCQYMHSA-N	434.172	4.132	5	1	IIBF	
CCOC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587575887	LENBRZNMVGPUTK-URXFXBBRSA-N	449.415	4.111	5	1	IIBF	
O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCOCC[N+]1([O-])CCCCC1	40420939	CZDBXPJIKXTOBI-UHFFFAOYSA-N	440.500	4.039	5	1	IIBF	
CN1C(=O)[C@H](Cc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)NC(=O)c2cc(Cl)ccc21	40564822	FXMKDQVQQXWJFU-FQEVSTJZSA-N	435.867	4.233	5	1	IIBF	
O=S(=O)(c1ccc(Cl)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1)N1CCC1	586955983	XRWPMFDKIHQSMT-UHFFFAOYSA-N	449.923	4.374	5	1	IIBF	
C[C@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587575926	LHWMNWMWXHHNBQ-NFBKMPQASA-N	434.404	4.050	5	1	IIBF	
O=c1c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(Br)cn1Cc1ccccc1	587006381	MPFGUTYOISQNLU-UHFFFAOYSA-N	425.242	4.111	5	1	IIBF	
O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587202453	IKDPPBOPMKNSDN-NRFANRHFSA-N	441.447	4.102	5	1	IIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])O2	587373930	UPOAVQVWQPEXIW-INIZCTEOSA-N	446.674	4.247	5	1	IIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	587749093	WZUNOQXMVWSKEY-XLFHBGCDSA-N	425.254	4.137	5	1	IIBF	
COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Cn5cc([N+](=O)[O-])cn5)[nH]c4c3)o2)cc1	587274809	TZJSBQYFDITXSZ-CYBMUJFWSA-N	445.439	4.197	5	1	IIBF	
CN(C)CCOc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c(F)c1	73163821	OZZCHQRAYPMEEI-UHFFFAOYSA-N	443.486	4.391	5	1	IIBF	
O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12	587275502	CGBYJPMHLIPRGN-UHFFFAOYSA-N	445.147	4.241	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc(Cl)c([N+](=O)[O-])n1	587865369	WZAPUDBLADLWOW-UHFFFAOYSA-N	443.769	4.066	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@@H](OC)[C@H](C)C=CCC(=O)OC	1857622725	ODXWPZBXBHPTPI-RPQNVMPDSA-N	439.505	4.096	5	1	IIBF	
Cc1onc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080062	QIAGFIIJJWPUNX-UHFFFAOYSA-N	428.623	4.035	5	1	IIBF	
CC/C=C/OCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4	26985653	INCMOFCJTGRLPD-AATRIKPKSA-N	434.448	4.347	5	1	IIBF	
CCCCNC[C@H](O)COc1cc(OCCCC)c2c(=O)c3cccc(OC)c3oc2c1	1772588476	WJAXOVPTGDZGID-KRWDZBQOSA-N	443.540	4.263	5	1	IIBF	
Cc1cccc([N+](=O)[O-])c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl	103289820	LNABLWKGTSKDRB-UHFFFAOYSA-N	436.653	4.152	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)ncc2[nH]1	586947946	BWYUXWVUCIPPCM-UHFFFAOYSA-N	443.872	4.296	5	1	IIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(F)c(Br)c3[nH]2)CC1	587268909	DDRORBFVWFPWLY-UHFFFAOYSA-N	447.264	4.393	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	587727620	ONKJCHJZTCXDRR-NIVTXAMTSA-N	427.245	4.442	5	1	IIBF	
COCCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	2480504	ODMUMXXQJPWDSA-UHFFFAOYSA-N	445.859	4.345	5	1	IIBF	
Cc1ccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	13580646	JSWGGLZASDOWGM-UHFFFAOYSA-N	436.376	4.344	5	1	IIBF	
COC(=O)[C@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2c(OC)c(OC)ccc12	26821795	WJKGYOIXXYWTDD-OAQYLSRUSA-N	431.444	4.439	5	1	IIBF	
O=[N+]([O-])c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	586957504	BXCPRKQZTZXASO-XMCHAPAWSA-N	426.498	4.166	5	1	IIBF	
CC(=O)Oc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1	653889657	ZWAFSKHDLLGFAZ-OVCLIPMQSA-N	427.416	4.390	5	1	IIBF	
COc1ccc(Nc2ncnc3c2[C@H](c2ccc([N+](=O)[O-])cc2)c2c(n[nH]c2C)O3)cc1	1772646933	KITUOODSRRQJGX-GOSISDBHSA-N	430.424	4.454	5	1	IIBF	
CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12	587272453	SXFAVEJFYNHRJP-UHFFFAOYSA-N	438.465	4.181	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	587575323	JCRNRBRFKJQARW-NFBKMPQASA-N	437.404	4.195	5	1	IIBF	
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1	13580658	AJYMAGBHSPVRBG-UHFFFAOYSA-N	436.376	4.344	5	1	IIBF	
C[N@@+]1(CCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	253684627	NBVYRBDIADJELP-FKAPRUDGSA-O	442.583	4.253	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	587575326	JCRNRBRFKJQARW-REWPJTCUSA-N	437.404	4.195	5	1	IIBF	
C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82149793	UHINQPHFJGMDQG-QZTJIDSGSA-N	445.523	4.464	5	1	IIBF	
O=[N+]([O-])c1cccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12	586954786	PDDRGNMEZKCJIK-UHFFFAOYSA-N	436.493	4.193	5	1	IIBF	
O=[N+]([O-])c1cc(/C=C/c2nc3cc(I)cnc3[nH]2)ccc1Cl	587048642	XYHXLNHNLUZYRP-DUXPYHPUSA-N	426.601	4.295	5	1	IIBF	
COCCNc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-]	587262563	XHXRERXGJUCBCF-UHFFFAOYSA-N	426.658	4.007	5	1	IIBF	
COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	716124	PZVCZPUFYVNKBM-DEOSSOPVSA-N	448.475	4.409	5	3	IIBF	
O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(F)c([N+](=O)[O-])c(F)c2)N1	963191352	PABVXXMDEPGUOX-FZMZJTMJSA-N	436.720	4.234	5	1	IIBF	
CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)C(C)(C)[N@@+](C)([O-])[C@H]1c1ccccc1	253854751	SIBBRESKFMTZJN-FNZWTVRRSA-N	433.549	4.030	5	1	IIBF	
Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc12	587037371	IHRVALMEQOBGOJ-GFCCVEGCSA-N	441.520	4.407	5	1	IIBF	
O=[N+]([O-])c1cc(/C=C\c2nc3cc(I)cnc3[nH]2)ccc1Cl	587048651	XYHXLNHNLUZYRP-RQOWECAXSA-N	426.601	4.295	5	1	IIBF	
COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OC	587747886	SROTVXMILPTQDL-XLFHBGCDSA-N	425.254	4.137	5	1	IIBF	
CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCOC	4214615	VOHTXMFWNJWHLA-MOPGFXCFSA-N	425.913	4.415	5	1	IIBF	
C[N+]1(CCO[P@](=O)(O)Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCOCC1	27862656	OYDPZKHBLQHBOC-UHFFFAOYSA-O	436.509	4.127	5	1	IIBF	
O=[N+]([O-])c1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-]	586959257	KFJBZMOPYQGXBV-WJOKGBTCSA-N	436.449	4.418	5	1	IIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O	587577892	UNRNVGJERUDSRW-AUSIDOKSSA-N	431.356	4.110	5	1	IIBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1c(C)cccc1C	35827478	GCTPICZXMFRDTI-UHFFFAOYSA-N	434.518	4.133	5	1	IIBF	
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587661007	KMAUPZNXBRAUKH-AWEZNQCLSA-N	433.395	4.219	5	1	IIBF	
CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1	587151928	VSJQTGXRAXHDSE-UHFFFAOYSA-N	438.209	4.128	5	1	IIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl	587857818	VNGRWBDLKCSJNJ-UHFFFAOYSA-N	430.635	4.229	5	1	IIBF	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586915095	APLQKUFVABPSBD-BLVKFPJESA-N	430.258	4.450	5	1	IIBF	
COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc([N+](=O)[O-])cn1	587511860	JXEBTIBOACJROY-QHCPKHFHSA-N	433.464	4.434	5	1	IIBF	
CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	773630	OBAYCMVEEGWGTB-CQSZACIVSA-N	433.823	4.210	5	1	IIBF	
C[C@H](F)[C@H](N)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	587125601	SOFBINWXFDXBQD-MGUXCZDKSA-N	447.422	4.203	5	1	IIBF	
Cc1nn(Cc2ccccc2-c2nc3ccc(Br)c(O)c3[nH]2)c(C)c1[N+](=O)[O-]	587266223	XLSLTPBQZANJRG-UHFFFAOYSA-N	442.273	4.468	5	1	IIBF	
COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(F)cc([N+](=O)[O-])c4)[nH]c3c2)cc1	587160729	FWOKYEZWEXDHGU-UHFFFAOYSA-N	442.428	4.087	5	1	IIBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Cl)c2[nH]1	587263511	BBDMLDYWQOSPEN-UOWDBTKRSA-N	426.216	4.220	5	1	IIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccc([N+](=O)[O-])cc1)CC2	587577472	SGVQNTXOMPFFCO-NRFANRHFSA-N	432.432	4.301	5	1	IIBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	587263570	CFWMPQWNSQPOOJ-UOWDBTKRSA-N	443.313	4.071	5	1	IIBF	
Cn1cnnc1Sc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1[N+](=O)[O-]	963107957	MKEPRYHUDQZDRM-QGZVFWFLSA-N	436.324	4.416	5	1	IIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(Cl)c([N+](=O)[O-])n1	587855141	JRYPUILKNZXNPQ-UHFFFAOYSA-N	444.662	4.354	5	1	IIBF	
O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(F)c([N+](=O)[O-])c(F)c2)N1	963191350	PABVXXMDEPGUOX-BXUZGUMPSA-N	436.720	4.234	5	1	IIBF	
CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)CN(C)C	4213309	SIEIHEVXROWHPH-GKCIPKSASA-N	438.956	4.328	5	1	IIBF	
NS(=O)(=O)c1cc2nc(-c3cccc(Br)c3)n3c4ccccc4oc(c1)c23	95586944	VGUDWLGXAPASIG-UHFFFAOYSA-N	442.294	4.311	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1	587722376	YMQVBPSYPKCSFY-NIVTXAMTSA-N	427.245	4.333	5	1	IIBF	
COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OC	587747884	SROTVXMILPTQDL-VVVCHXIZSA-N	425.254	4.137	5	1	IIBF	
CC(C)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	775418	JAWIRFVZWHRKMU-UHFFFAOYSA-N	427.388	4.170	5	1	IIBF	
CCN1C(N2CCCCC2)=Nc2ccccc2[C@@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1	45337391	YAOXFFYENABBKR-QFIPXVFZSA-N	435.528	4.151	5	1	IIBF	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586918382	XTXXPHOLTNFJGX-DJJJIMSYSA-N	430.258	4.450	5	1	IIBF	
O=[N+]([O-])c1cncc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12	587120253	FHMRNVNGXOSKMM-UHFFFAOYSA-N	425.330	4.262	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cc([N+](=O)[O-])c(C)n1	587866171	WYJHJEZKYQYJHB-UHFFFAOYSA-N	437.378	4.111	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1	587744699	FHEGVUUOGUPTLN-VPRXMMIXSA-N	435.249	4.024	5	1	IIBF	
CCN(Cc1ccccc1)C(=O)c1cnc(NCCCOC)nc1-c1ccc([N+](=O)[O-])cc1	82150077	QLYPEOYNTIFMCE-UHFFFAOYSA-N	449.511	4.163	5	1	IIBF	
CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587051247	ZTCWEUNFTRQOIR-UXBLZVDNSA-N	434.905	4.325	5	1	IIBF	
COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OC	587744162	GIZLVFOMZMVJSO-XLFHBGCDSA-N	425.254	4.137	5	1	IIBF	
CN(C)CCCn1[nH]c2c3cc(OC(=O)C(C)(C)C)ccc3nc3c([N+](=O)[O-])ccc1c32	27094109	YCBWTIFJTGNOFT-UHFFFAOYSA-N	437.500	4.482	5	1	IIBF	
Cc1nn(-c2ccccc2)c2nc3nc4sc5nc6ccccc6nc5n4c(=O)c3cc12	49068290	MTMHATBQYWVTHH-UHFFFAOYSA-N	435.472	4.048	5	1	IIBF	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2N1	587126662	LYSBRBOISHMWSA-KSBSHMNSSA-N	445.199	4.405	5	1	IIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C	587240050	QBHFXKCWIJVAFB-KAJFERSBSA-N	434.468	4.165	5	1	IIBF	
Cc1nn(Cc2ccccc2-c2nc3cncc(Br)c3[nH]2)c(C)c1[N+](=O)[O-]	587264283	FJLYKBQWPMHYMT-UHFFFAOYSA-N	427.262	4.157	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@H](c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-])CC2=O	587472878	NXRFBFZGWUYYNM-FQEVSTJZSA-N	429.425	4.203	5	1	IIBF	
c1cnc2ccc3nc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)c4cccn4c3c2c1	13762492	YVTHPCKJOKJJHA-UHFFFAOYSA-N	437.503	4.087	5	1	IIBF	
COC(=O)[C@@H]1CCCN1Cc1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12	103175471	QGGJLVMGQCNXKT-FQEVSTJZSA-N	439.508	4.165	5	1	IIBF	
CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(S(=O)(=O)c2ccccc2)c1C	82157889	HGLOBLYGOSCYIW-UHFFFAOYSA-N	428.466	4.094	5	1	IIBF	
CC[C@@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1nc([N+](=O)[O-])cc1C	587863188	TVJOENRARNHFLK-HNNXBMFYSA-N	437.378	4.282	5	1	IIBF	
Cc1c(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cccc1[N+](=O)[O-]	20104872	WXEBTGQNONALKL-XZOQPEGZSA-N	427.460	4.379	5	1	IIBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)cc2[nH]1	587265004	RCXPOSRKLJFLCF-ZIDLFYJRSA-N	426.216	4.220	5	1	IIBF	
COc1cc2c3c(c1)O[C@](c1ccc([N+](=O)[O-])cc1)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O	587431792	GPURTTSCIGCCEU-WMZHIEFXSA-N	432.388	4.203	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1	587749808	ZJWJRCUJHYUKRO-LKFCYVNXSA-N	425.302	4.151	5	1	IIBF	
C[C@@H](N[C@H]1CCN(c2ccc(C(=O)NCC[N+](C)(C)C)cc2)C1)c1cccc2ccccc12	1772616617	BQQBITBNYBBCDJ-QPPBQGQZSA-O	445.631	4.205	5	1	IIBF	
COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587064426	APMQDOWAIMEMQF-UHFFFAOYSA-N	440.637	4.287	5	1	IIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	587749095	WZUNOQXMVWSKEY-XYZCENFISA-N	425.254	4.137	5	1	IIBF	
O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	963198029	VBZXOTAXZLZKJA-HOCLYGCPSA-N	439.777	4.437	5	1	IIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(C(=O)O)c2[nH]1	587055998	RVUSLJKWOLCMTH-OAHLLOKOSA-N	434.811	4.089	5	1	IIBF	
COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	40422912	VSDLSICGFMFZRC-UHFFFAOYSA-N	430.476	4.089	5	1	IIBF	
O=[N+]([O-])c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	586957721	DMYRDKARZSRGLK-LJHODMEESA-N	426.498	4.166	5	1	IIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1nc3ccccc3[nH]1)(c1cccc([N+](=O)[O-])c1)O2	587389690	NATUKGCUGCKFKN-XMMPIXPASA-N	428.448	4.465	5	1	IIBF	
COc1ccc(Nc2ncnc3c2[C@H](c2cccc([N+](=O)[O-])c2)c2c(n[nH]c2C)O3)cc1	1772609349	GQCQRUGFQGCFJY-GOSISDBHSA-N	430.424	4.454	5	1	IIBF	
COc1ccc([N+](=O)[O-])cc1[C@H](O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12	587623320	PZZFYMATKQILCN-SFHVURJKSA-N	431.246	4.114	5	1	IIBF	
CN(C)c1ccc(N2C(=O)[C@H](Oc3ccc(C=O)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	1857576387	QMAANQQWQDSELF-XZOQPEGZSA-N	431.448	4.009	5	1	IIBF	
CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1ccc(Cl)cc1	1772628766	RSFDDQPUJGNJQE-GOSISDBHSA-N	446.894	4.276	5	1	IIBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	1772651281	XEEXYIUMNCDQJM-UHFFFAOYSA-N	430.417	4.179	5	1	IIBF	
COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587742887	BNQKUYBRQSTDNP-LZVRBXCZSA-N	425.254	4.008	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2	115609416	DLBVAKLECIGBHD-ZDUSSCGKSA-N	435.358	4.445	5	1	IIBF	
CC(C)(C)OC(=O)Nc1snnc1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1	587038163	DDTOTIFSVANVPI-UHFFFAOYSA-N	441.267	4.099	5	1	IIBF	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1	653816511	ZIHKPDHNUVICNK-IBGZPJMESA-N	426.473	4.421	5	1	IIBF	
CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)CC1	28961921	VPVYRYSJZWQOKS-IBGZPJMESA-N	442.472	4.111	5	1	IIBF	
O=[N+]([O-])c1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)nn1CC(F)(F)F	587091115	BFERSHKJATZSCW-UHFFFAOYSA-N	429.664	4.449	5	1	IIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C)c([N+](=O)[O-])c1C	587859167	CCNHPALXTILVDM-UHFFFAOYSA-N	438.271	4.318	5	1	IIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1ncc([N+](=O)[O-])c1C	587860401	SYYABNKNDZGLNI-UHFFFAOYSA-N	438.271	4.399	5	1	IIBF	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1C	587165650	HZDVRCWNCSIMHK-UHFFFAOYSA-N	437.431	4.202	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1	587734373	RAFSRUCTNTVRIG-NIVTXAMTSA-N	425.229	4.196	5	1	IIBF	
O=c1c(/C=C/c2c(O)ccc3ccccc23)nnc2sc(-c3cccc([N+](=O)[O-])c3)nn12	6018779	URELOGFXMSCVTQ-MDZDMXLPSA-N	443.444	4.150	5	1	IIBF	
Cc1cc(OCc2cnnn2-c2cccc([N+](=O)[O-])c2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21	95596356	OOQWNYKODSWVBQ-MHALITNNSA-N	448.479	4.168	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC	587749171	XRMPGJOYMXUXBX-DGIBIBHMSA-N	439.281	4.311	5	1	IIBF	
COc1cc2c(cc1OC)[C@@](C)(c1cc(N3CCCC3)ccc1[N+](=O)[O-])N(C)[C@H](C)C2	962632608	PCWYNORMSIHRKO-GYCJOSAFSA-N	425.529	4.352	5	1	IIBF	
CC[C@@H](C)NC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc([N+](=O)[O-])c1	82135880	CLCKMZFCXLIXPJ-MRXNPFEDSA-N	449.511	4.243	5	1	IIBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1	586974545	VFBBVMRWUSTQRY-UHFFFAOYSA-N	434.543	4.137	5	1	IIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c([N+](=O)[O-])ccc(O)c2n1	587576356	OAUHDUGMSONVSI-WMZHIEFXSA-N	430.372	4.257	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1	587750284	HJFDRQISNLZTMJ-ZUOKHONESA-N	445.292	4.171	5	1	IIBF	
COc1cc(Br)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586980226	SMGDBNFFXHZGQA-UHFFFAOYSA-N	440.637	4.287	5	1	IIBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc(Cl)c2[nH]1	587117470	SLBIBTQPRVWSCT-UHFFFAOYSA-N	438.591	4.459	5	1	IIBF	
COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC	587743916	CACYJZRFKJFASS-DYBLOJMWSA-N	425.254	4.137	5	1	IIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1	587868898	WSQZEXXOLLRUFB-UHFFFAOYSA-N	432.314	4.315	5	1	IIBF	
CN(Cc1ccc2c(c1)OCCO2)c1cc(=O)c2cc(C(F)(F)F)cc([N+](=O)[O-])c2o1	1857578487	UBNSNHDLXHKJRU-UHFFFAOYSA-N	436.342	4.128	5	1	IIBF	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCC1CCN(Cc2ccc(Cl)cc2)CC1	3814219	CLCFZEJHDXQFNI-UHFFFAOYSA-N	427.888	4.147	5	1	IIBF	
CC(C)CCc1c(OCCOc2ccc(/C=C/C(=O)NO)cc2)ccc2c1OC(=O)CC2	230451619	DYUMPFUIXGFMAH-AWNIVKPZSA-N	439.508	4.103	5	1	IIBF	
COc1ccc(C(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1F	587144929	RNUOPHKCZYASJV-UHFFFAOYSA-N	436.355	4.425	5	1	IIBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1	587269932	UGBHQOJGFUKWOI-UHFFFAOYSA-N	432.234	4.409	5	1	IIBF	
CNC(=O)c1cc(-c2ccc3ccc4ccccc4c3c2)n(-c2ccc(NC(=O)CN)cc2)n1	72119971	WUSCPTHPSVBMDB-UHFFFAOYSA-N	449.514	4.103	5	1	IIBF	
O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCN1	103216750	LXYAYENQKOXVRU-GOSISDBHSA-N	439.578	4.053	5	1	IIBF	
O=[N+]([O-])c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1[N+](=O)[O-]	587184116	NYWUZJYEVUNGCL-PLNGDYQASA-N	436.165	4.154	5	1	IIBF	
Cc1nn(Cc2ccccc2-c2nc3cc(Br)ncc3[nH]2)c(C)c1[N+](=O)[O-]	587264294	FOHGTHDBHFBDDH-UHFFFAOYSA-N	427.262	4.157	5	1	IIBF	
O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	963198027	VBZXOTAXZLZKJA-GOEBONIOSA-N	439.777	4.437	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2[N+](=O)[O-])N1	587687619	VQOGADPSHBJGFI-NZFNHWASSA-N	445.086	4.278	5	1	IIBF	
O=[N+]([O-])c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1[N+](=O)[O-]	587116521	FXJBDYSOACFXQB-UHFFFAOYSA-N	444.757	4.368	5	1	IIBF	
C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCC1CCCCC1	82083987	ISAVAFNWZVEFKY-AWEZNQCLSA-N	431.514	4.350	5	1	IIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Br)cc1[N+](=O)[O-]	587546521	OKSNSXUFJKOUGE-DNVCBOLYSA-N	443.209	4.161	5	1	IIBF	
CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc([N+](=O)[O-])ccc1SCc1ccco1)NCC2	962929279	IJFKCMCTUQMQDP-JOCHJYFZSA-N	437.521	4.417	5	1	IIBF	
Cc1ncc([N+](=O)[O-])n1CCCCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1	1857757873	UEJKODAOZKUXMJ-UHFFFAOYSA-N	442.951	4.294	5	1	IIBF	
CCN(CC)CCNC(=O)c1cccc2cc3ccc(I)cc3nc12	40380139	AFMVLQFNJOFBGD-UHFFFAOYSA-N	447.320	4.064	5	1	IIBF	
COCCNc1ncc(C(=O)N(Cc2ccccc2)C(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1	82150179	MRCZEQNJOAYBKP-UHFFFAOYSA-N	449.511	4.161	5	1	IIBF	
COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1cc([N+](=O)[O-])cn1	587511859	JXEBTIBOACJROY-HSZRJFAPSA-N	433.464	4.434	5	1	IIBF	
CCO[C@@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C/CC(=O)OC	13783002	ODXWPZBXBHPTPI-FLFUOAHFSA-N	439.505	4.096	5	1	IIBF	
CCOC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1[N+](=O)[O-]	587623389	RYEKBUWPWLUYMA-UHFFFAOYSA-N	443.257	4.488	5	1	IIBF	
COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1	95574937	LGDOFYXYYXPILM-UHFFFAOYSA-N	436.380	4.016	5	1	IIBF	
CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c1	102985258	FHGZDMHXJUYMNN-FPOVZHCZSA-N	449.507	4.482	5	1	IIBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	587267477	KSRZGYZQRYVAOI-ZETCQYMHSA-N	434.172	4.246	5	1	IIBF	
COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)n5cc([N+](=O)[O-])cn5)[nH]c4c3)o2)cc1	587276952	OZDNMDDEFGCMIY-LBPRGKRZSA-N	431.412	4.003	5	1	IIBF	
COc1ccc2c(c1OC)[C@@H](c1ccc(C)c([N+](=O)[O-])c1)N(C(=O)c1ccccc1N)CC2	963141437	OGNAZFSMXCEDPD-HSZRJFAPSA-N	447.491	4.291	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccccc1OC(F)(F)F)C2	45261066	XIUVIMJTNWSBHU-AWEZNQCLSA-N	435.358	4.335	5	1	IIBF	
CCn1c2cc(=NC(=O)CCCC(N)=O)ccc-2c2ccc(N)cc2c1-c1ccccc1	377829977	GSWANXJGQRSHPV-UHFFFAOYSA-N	426.520	4.098	5	1	IIBF	
O=[N+]([O-])c1ccc(OCc2nc3c(Br)cnc(Br)c3[nH]2)cc1F	587151604	RZLAWMRQBCZFDG-UHFFFAOYSA-N	446.030	4.109	5	1	IIBF	
CN(C)/C=C\[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587573090	BAQUNDMUWKHAMK-OPWUYNBGSA-N	432.432	4.233	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1	587734367	RAFSRUCTNTVRIG-DYBLOJMWSA-N	425.229	4.196	5	1	IIBF	
Cc1cc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Oc1ncc(Cl)cn1	1617770	SRCYRSNCOKJWQQ-UHFFFAOYSA-N	427.804	4.101	5	1	IIBF	
CN1C(=O)[C@@H](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)NC(=O)c2cc(Cl)ccc21	40565308	YXHWHDPDUUONMR-HXUWFJFHSA-N	435.867	4.233	5	1	IIBF	
CC(C)COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br	587260685	ZBWMDXTUOLDTSB-AVGNSLFASA-N	438.322	4.021	5	1	IIBF	
COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O	587332177	FLRXKDSWFNQYKM-NZQKXSOJSA-N	439.395	4.428	5	1	IIBF	
CC[C@H](C)CCC[C@@H](O)[C@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12	40424403	BNLCCYULJSGXCA-IWMITWMQSA-N	438.524	4.404	5	1	IIBF	biogenic
O=C(Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1)Nc1cccc([N+](=O)[O-])c1	96167963	ZKDDEHMTRVKFBV-UHFFFAOYSA-N	430.417	4.179	5	1	IIBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(Br)ccc(Br)c2[nH]1	587271053	YKNODRRQZAPABH-LBPRGKRZSA-N	440.095	4.239	5	1	IIBF	
CCN(CC)CCn1c(=O)c2cc(OC)c(OC)cc2c2ccc3cc4c(cc3c21)OCO4	1857748165	ORRYPOXCZYPJKU-UHFFFAOYSA-N	448.519	4.396	5	1	IIBF	
CC(C)(CO)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	773703	CEGFJEXJSDLCGD-UHFFFAOYSA-N	447.850	4.458	5	1	IIBF	
O=C(NCCNc1ccc(Br)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	1857646794	YMYRWYLQJKXTCT-UHFFFAOYSA-N	432.196	4.218	5	1	IIBF	
COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1	96167997	QPZNLUUYNDPOKE-UHFFFAOYSA-N	442.453	4.048	5	1	IIBF	
CCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1ccc(OCC(C)(C)O)c(C)c1	207567896	JSGWCMHXUIIPHK-UHFFFAOYSA-N	429.557	4.443	5	1	IIBF	
COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586918384	XTXXPHOLTNFJGX-YJYMSZOUSA-N	430.258	4.450	5	1	IIBF	
COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587742868	BNQKUYBRQSTDNP-DYBLOJMWSA-N	425.254	4.008	5	1	IIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1	587577922	UWCIFXWWUDQTCX-PXNSSMCTSA-N	431.360	4.053	5	1	IIBF	
CN1CCc2c(Br)cccc2[C@H]1c1cccc(OCn2ccc([N+](=O)[O-])n2)c1	963289213	JTICRLXQUURWOS-HXUWFJFHSA-N	443.301	4.168	5	1	IIBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2cccc(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1	169723528	KMNDOCKUJXUOGX-CTNGQTDRSA-N	440.427	4.099	5	1	IIBF	
O=C(O)c1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1F	587118015	IQWXXFPLKQDYIM-UHFFFAOYSA-N	449.320	4.239	5	1	IIBF	
O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3ccc(O)cc3)cc(Cl)cn12	1857650228	RKTWORWRCUSLLJ-UHFFFAOYSA-N	443.868	4.242	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2	45283315	OTJRQXNIDYSJLS-KRWDZBQOSA-N	435.358	4.335	5	1	IIBF	
O=[N+]([O-])c1cccc([C@@H](c2ccc(O)cc2O)c2cc(Br)c(O)cc2O)c1	73196136	ZLFKMBNDKLPUSU-IBGZPJMESA-N	432.226	4.360	5	1	IIBF	
CN(CCc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21	587194264	PDOABTTYHIIFCA-UHFFFAOYSA-N	443.463	4.290	5	1	IIBF	
CC1=C(C(=O)O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC/C=C/c2ccccc2)=C(C)N1	28567999	ULEJCAREEWJVCF-HWWNHIDJSA-N	434.448	4.171	5	1	IIBF	
CCOc1cc([C@H]2NC(=O)NC(c3cccnc3)=C2c2ccsc2)cc([N+](=O)[O-])c1O	114752050	OOLWDJTWVWHETJ-LJQANCHMSA-N	438.465	4.078	5	1	IIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-]	587265955	YNFUREIMUNPSGE-JEZHCXPESA-N	434.212	4.005	5	1	IIBF	
CC(C)COc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br	587260689	ZBWMDXTUOLDTSB-RWMBFGLXSA-N	438.322	4.021	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1	587750283	HJFDRQISNLZTMJ-XCLFUZPHSA-N	445.292	4.171	5	1	IIBF	
O=C1C[C@H](c2cccc(Cl)c2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1	26497890	AKDGPEOCWXIAPX-MZYLBHOOSA-N	437.883	4.343	5	1	IIBF	
C[N@@+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	253684840	RKQTVVAARMPEBJ-MXBOTTGLSA-O	426.584	4.417	5	1	IIBF	
CC(C)S(=O)(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1	586947749	DNXYIPSEUHMSRL-UHFFFAOYSA-N	439.291	4.051	5	1	IIBF	
Cc1cccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)c1	96167953	MUOCGLKKQDPEMM-UHFFFAOYSA-N	426.454	4.348	5	1	IIBF	
COc1cc(NS(C)(=O)=O)ccc1Cc1c2ccccc2nc2cc([N+](=O)[O-])ccc12	169347092	XPRDKUDHQYAWAU-UHFFFAOYSA-N	437.477	4.267	5	1	IIBF	
O=[N+]([O-])c1cc(Br)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12	587085492	WOIUQVDTCHNCGZ-UHFFFAOYSA-N	437.685	4.061	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1F	587171678	UJFMGQXVHRERSU-UHFFFAOYSA-N	430.392	4.217	5	1	IIBF	
N=C(N)c1ccc2[nH]c(-c3cc(CCC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1	26379828	FHUITTGJROXOFT-UHFFFAOYSA-N	444.447	4.417	5	1	IIBF	
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccc([N+](=O)[O-])o1	1772645959	BAADHSIFEXXRHW-UHFFFAOYSA-N	443.408	4.032	5	1	IIBF	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCCC1CCN(C(=O)c2ccccc2)CC1	71317319	DUCPXMQWSZMAND-OUKQBFOZSA-N	435.524	4.447	5	1	IIBF	
C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82149791	UHINQPHFJGMDQG-ROUUACIJSA-N	445.523	4.464	5	1	IIBF	
CC[C@H](C)Nc1ncc(C(=O)NCCc2ccccc2OC)c(-c2cccc([N+](=O)[O-])c2)n1	82136146	BNMKWRTZLYIXMV-INIZCTEOSA-N	449.511	4.243	5	1	IIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587262193	FZKQTIRBUBVPQE-VGMNWLOBSA-N	434.212	4.005	5	1	IIBF	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cccnc2Br)cc1NN1CCCCC1	15936820	OYHHPSNSOUTUJB-UHFFFAOYSA-N	438.238	4.266	5	3	IIBF	
O=[N+]([O-])c1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1F	586960827	PSSPFARTHDTETJ-RUZDIDTESA-N	426.267	4.113	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cccc([N+](=O)[O-])c2)N1	587749138	XHQFDMJUMPEOME-LDHDXPGBSA-N	434.309	4.350	5	1	IIBF	
CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149460	AHQOIYFQTUIPNF-ROUUACIJSA-N	437.544	4.406	5	1	IIBF	
CCOC(=O)c1c(-c2ccccc2)n2c3ccccc3c(=O)n2c2ccc3c(c12)OCO3	1911585186	PWERXPCDEUGLGZ-UHFFFAOYSA-N	426.428	4.278	5	1	IIBF	
COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@@]1(C)COC(=O)O1)O2	40892083	BKZJCNIVAZPUQH-CJFMBICVSA-N	431.444	4.083	5	1	IIBF	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c2)c1	587270648	PJINPPDOWKJPBY-UHFFFAOYSA-N	448.382	4.494	5	1	IIBF	
O=[N+]([O-])c1ccc(N(Cc2cccc(C(F)(F)F)c2)n2cnnc2)cc1Br	1857576144	CFUZAKYLWMZPTP-UHFFFAOYSA-N	442.195	4.438	5	1	IIBF	
c1ccc(Cn2cc(CN3CCN(c4nc5ccccc5c5ccccc45)CC3)nn2)cc1	103247803	YMHZTQAQULQRLW-UHFFFAOYSA-N	434.547	4.350	5	1	IIBF	
CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc([N+](=O)[O-])c(C(C)C)c12	169343010	RFLTTYKWJHKSTO-UHFFFAOYSA-N	444.484	4.234	5	1	IIBF	
Cc1ccc(S(=O)(=O)N[C@@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)cc1	473156129	SMSPZPWPVJTERV-GOSISDBHSA-N	443.528	4.231	5	1	IIBF	
O=C1C[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(CO)CC2)Oc2c1ccc1c2CCCC1	587512135	LIWNYSFYQMWTFD-XMMPIXPASA-N	436.508	4.389	5	1	IIBF	
CN(C)c1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963191207	YTESALVWJZHPPK-DOTOQJQBSA-N	443.809	4.021	5	1	IIBF	
Cc1ccc2c(c1)ncc1c(=O)n(CCCN3CCN(c4cccc(Cl)c4)CC3)cnc12	72107444	OTLHVEFXWYBIAA-UHFFFAOYSA-N	447.970	4.119	5	1	IIBF	
COCCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1	82150072	XVTPCNBPBVXKDY-UHFFFAOYSA-N	443.548	4.254	5	1	IIBF	
CCOC(=O)c1c(Cc2ccccc2[N+](=O)[O-])[nH]c2c1c(Br)cc1n[nH]cc12	587623162	MOMOQVOAAQPCPD-UHFFFAOYSA-N	443.257	4.482	5	1	IIBF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc([N+](=O)[O-])cc2C(F)(F)F)N1	962964058	JENHGNKLQZYYDV-WFASDCNBSA-N	436.720	4.234	5	1	IIBF	
COc1cc(OC)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1	587118132	KKMFGVXKUNOTBJ-UHFFFAOYSA-N	447.373	4.419	5	1	IIBF	
Cc1nn(Cc2ccccc2-c2nc3ccc(Br)nc3[nH]2)c(C)c1[N+](=O)[O-]	587264685	JPQIMQIUYKMAMI-UHFFFAOYSA-N	427.262	4.157	5	1	IIBF	
COc1cc2c3c(c1)O[C@H](c1cc(OCc4ccccc4)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587431817	HBYFWFDAXLOQKS-BXKMTCNYSA-N	433.416	4.377	5	1	IIBF	
O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cccc([N+](=O)[O-])c12	587646883	ADNVQJBAVJLSRG-UHFFFAOYSA-N	428.360	4.452	5	1	IIBF	
CC[C@H](O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	586900351	GOZRKWGOFRZNLS-IBGZPJMESA-N	430.416	4.288	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@@H](OC)[C@@H](C)/C=C/CC(=O)OC	13783003	ODXWPZBXBHPTPI-RGPLGYAISA-N	439.505	4.096	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2[N+](=O)[O-])N1	587683616	OEEVPJMGMWQFOL-JKYUHCHBSA-N	445.086	4.278	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccc(O)c([N+](=O)[O-])c1	587865977	RMQJQXMWSBOJMB-UHFFFAOYSA-N	435.358	4.464	5	1	IIBF	
Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	586941787	WPNQILWKQWZALS-ZHACJKMWSA-N	429.505	4.058	5	1	IIBF	
Cc1nn(Cc2ccccc2C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1[N+](=O)[O-]	587875037	MFKFDQROKDADDY-UHFFFAOYSA-N	433.399	4.253	5	1	IIBF	
Cc1cc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2cc1[N+](=O)[O-]	587170919	VZIBOQXQLZJQQW-UHFFFAOYSA-N	432.458	4.448	5	1	IIBF	
Cc1nn(Cc2cccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2)c(C)c1[N+](=O)[O-]	587875946	VYGYSEGMZIVRLW-UHFFFAOYSA-N	433.399	4.253	5	1	IIBF	
C[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962692519	FLYYNGJENHTXJN-IEBWSBKVSA-N	437.349	4.096	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1	587750219	HFQDMZJHJJVIPK-NIVTXAMTSA-N	432.249	4.374	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1nc([N+](=O)[O-])cc1C	587865596	CHOJCHWOXJZMIR-LBPRGKRZSA-N	437.378	4.282	5	1	IIBF	
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCCc1cc([N+](=O)[O-])ccc1-2	1772593146	NSIDHJWIBYRJQC-UHFFFAOYSA-N	441.447	4.307	5	1	IIBF	
O=C(Nc1cc(F)ccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1	13580648	SXQSXGKQUDBDKG-UHFFFAOYSA-N	440.339	4.175	5	1	IIBF	
Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	586940749	FCMMAEFDQRGBQK-JLHYYAGUSA-N	429.505	4.058	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1	587736958	XMUQJZRIYRUOJH-YYSFKGJASA-N	425.229	4.196	5	1	IIBF	
CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1ccc(CC)cc1	1772584269	CRCBPRULMBKOIH-FQEVSTJZSA-N	440.503	4.185	5	1	IIBF	
CC(C)(C)N(Cc1ccc(C(F)(F)F)cc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1	66252184	PXDGYHKIVWPLNM-UHFFFAOYSA-N	428.363	4.191	5	1	IIBF	
COCCN1C(=O)CC[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H]1c1ccccc1Cl	587062690	IZLBZAMRMJDKBG-VBKZILBWSA-N	428.876	4.218	5	1	IIBF	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2N1	587126659	LYSBRBOISHMWSA-KBUNVGBDSA-N	445.199	4.405	5	1	IIBF	
O=C(NC1CCCC1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	774961	NCSCRRZQDHBLJO-UHFFFAOYSA-N	439.399	4.457	5	1	IIBF	
C[C@H]1n2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)[C@@H](C)S1(=O)=O)C(=O)NC4=O	28762723	KEBJMSSIYOGESY-TXEJJXNPSA-N	443.484	4.251	5	1	IIBF	
COc1ccc([C@@]2(Cc3ccccc3[N+](=O)[O-])Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1	587434460	VQKQPULQVJKRLF-CJFMBICVSA-N	431.444	4.498	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1	587748896	BKBCWCDEFQEUSQ-JDNHERCYSA-N	433.237	4.170	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2cnn3ccc(Br)cc23)CC1	103299226	MFMUEZOGVNMZEA-UHFFFAOYSA-N	443.301	4.333	5	1	IIBF	
COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1	103219723	OXUFDYNEEGIHDK-KRWDZBQOSA-N	447.739	4.494	5	1	IIBF	
O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F	586961258	QRNBCSFMWIRCAR-YHBQJITHSA-N	444.488	4.305	5	1	IIBF	
C[C@H](F)[C@@H](N)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	587125605	SOFBINWXFDXBQD-MLMJSJRWSA-N	447.422	4.203	5	1	IIBF	
O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1coc2cc([N+](=O)[O-])ccc12	587280114	JPLGTGJPHXNFNU-UHFFFAOYSA-N	428.466	4.137	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1	587748894	BKBCWCDEFQEUSQ-ABKXIKBNSA-N	433.237	4.170	5	1	IIBF	
O=C(Nc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1)Nc1ccc([N+](=O)[O-])cc1	96167965	OFTALXJZDHVZCP-UHFFFAOYSA-N	430.417	4.179	5	1	IIBF	
COCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	2478328	CMJGPCZXWQNWNB-UHFFFAOYSA-N	433.823	4.476	5	1	IIBF	
C[C@@H](c1ccccc1)N1CCN(C(=S)Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	95576767	UEWFLTHFUANTRV-AWEZNQCLSA-N	432.527	4.259	5	1	IIBF	
COc1cc2c3c(c1)O[C@@H](c1cc(OCc4ccccc4)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587431818	HBYFWFDAXLOQKS-XDHUDOTRSA-N	433.416	4.377	5	1	IIBF	
COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@H](O)CCCCC(C)C)cccc3nc12	40954705	KWXXXQCBEMOCFC-RTWAWAEBSA-N	438.524	4.404	5	1	IIBF	biogenic
COc1ccc(OC)c([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c1	299840866	ZREUNNDAALIMRM-LJQANCHMSA-N	425.444	4.169	5	1	IIBF	
O=[N+]([O-])c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1[N+](=O)[O-]	587001121	LKIOYGVBANVGQA-OWOJBTEDSA-N	447.201	4.083	5	1	IIBF	
O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2cc3ccccc3cc12	12343983	OAIUSPVUOPBGKV-UHFFFAOYSA-N	441.256	4.127	5	1	IIBF	
COCCOc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c(F)c1	73158511	PNQLIJJPVOBSQU-UHFFFAOYSA-N	430.443	4.476	5	1	IIBF	
COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)[C@@H](O)[C@@H]1CCCN1C3	85771784	NYKPXBAWFYIQBH-SBUREZEXSA-N	439.508	4.047	5	1	IIBF	biogenic
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4043234	PJALZEBHHQGPMA-CTNGQTDRSA-N	444.919	4.322	5	1	IIBF	
O=c1c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc(Br)cn1Cc1ccccc1	587006945	SNVXPVWRLGXPFO-UHFFFAOYSA-N	443.232	4.250	5	1	IIBF	
CCOc1ccc(-c2nn(-c3ncc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC	587668470	CCEQUFPMJWJLLH-UHFFFAOYSA-N	446.463	4.462	5	1	IIBF	
O=C1CCC(=O)N1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	13587485	JANZXFNVGRNHEL-QFIPXVFZSA-N	445.475	4.186	5	1	IIBF	
O=[N+]([O-])c1ccc(-c2[nH]c(S(=O)(=O)C(F)(F)C(F)F)nc2-c2ccc(F)cc2)cc1	40504856	VKHBEKZMQZUTII-UHFFFAOYSA-N	447.341	4.423	5	1	IIBF	
N[C@@H](CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587269999	HDZPYDQGFWNXSA-ZDUSSCGKSA-N	441.797	4.042	5	1	IIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)c(Cl)c([N+](=O)[O-])c3c1OCCO3)O2	587379144	SYYGDZSXAKXZSU-LJQANCHMSA-N	439.251	4.444	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1	587722374	YMQVBPSYPKCSFY-DYBLOJMWSA-N	427.245	4.333	5	1	IIBF	
CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	82149379	CUSUCAWSYTZPQX-HDICACEKSA-N	437.544	4.406	5	1	IIBF	
Cc1csc([C@](O)(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)C(F)(F)F)n1	587093862	HMXVUQQBVALNSP-LJQANCHMSA-N	429.427	4.417	5	1	IIBF	
COc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1[N+](=O)[O-]	587577541	SKEGTHZAPSFAIV-XXBNENTESA-N	432.388	4.493	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CN(C)C(C)C)c2c1	587621507	VBBJECKVMUUODQ-UHFFFAOYSA-N	446.529	4.034	5	1	IIBF	
CN(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1	586928706	IHEVOJAXFARKMB-UHFFFAOYSA-N	437.912	4.133	5	1	IIBF	
CCN(CC)CCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC[N+](C)(C)C)cc12	1772657632	KPUFOMNUZGZQAD-UHFFFAOYSA-N	449.619	4.405	5	1	IIBF	
O=C(NC1CCCC1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	773375	YXRQVAHKUSQRLI-UHFFFAOYSA-N	439.399	4.457	5	1	IIBF	
O=c1oc2c(cc(Br)c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1Cl	169324335	XVQXSDSOWIYCGI-UHFFFAOYSA-N	447.628	4.421	5	1	IIBF	
C[N@@+]1(CCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	253684847	RKQTVVAARMPEBJ-SUYBVONHSA-O	426.584	4.417	5	1	IIBF	
COc1cc(OC)c2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c1	587053053	AINFXDKRJULDOM-QGZVFWFLSA-N	432.864	4.269	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1	587749810	ZJWJRCUJHYUKRO-XPTSAGLGSA-N	425.302	4.151	5	1	IIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1cc(Cl)c([N+](=O)[O-])n1	587861122	OCMSOTCFKHKRPJ-UHFFFAOYSA-N	443.769	4.066	5	1	IIBF	
C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135766	HWSRUZBCRDMDSD-QZTJIDSGSA-N	445.523	4.464	5	1	IIBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2cccs2)[C@H]1c1cccc([N+](=O)[O-])c1	169723557	PZOXTGHVURODSB-HKUYNNGSSA-N	428.466	4.021	5	1	IIBF	
CC(=O)Oc1ccc2c(c1)oc1c3cc(C[C@H]4OC4(C)C)c(OC(C)=O)cc3oc(=O)c21	238744567	XNDLQQWPZJMYLA-HXUWFJFHSA-N	436.416	4.263	5	1	IIBF	
O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccccc12	299829491	LFNUAHFOLJOHHB-YFHOEESVSA-N	447.407	4.208	5	1	IIBF	
COc1ccc([N+](=O)[O-])cc1[C@H](O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586986410	AWWJUJIOJODSDL-OAQYLSRUSA-N	442.427	4.345	5	1	IIBF	
CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC1CCCCC1	82081945	SIHBAQPBMSSKBH-LJQANCHMSA-N	444.557	4.169	5	1	IIBF	
COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21	962772450	WIQZOCXFUSLSPD-OXJNMPFZSA-N	445.397	4.129	5	1	IIBF	
CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(OCc4ccccc4)cc3[N+](=O)[O-])c3cccc1c32	963032652	SEZNFFMZNFWRIQ-NSYGIPOTSA-N	429.476	4.317	5	1	IIBF	
O=c1c2ccccc2c(=O)c2c1c1[nH]c3ccccc3c1c1c(=O)c3ccccc3c(=O)c21	1618987	NMBXERAVHQBISR-UHFFFAOYSA-N	427.415	4.250	5	1	IIBF	
COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@@H](O)CCCCC(C)C)cccc3nc12	40954703	KWXXXQCBEMOCFC-SFTDATJTSA-N	438.524	4.404	5	1	IIBF	biogenic
C[C@]1(O)C[C@@H](c2nc(-c3ccc(Oc4ccccc4)c([N+](=O)[O-])c3)c3c(N)nccn32)C1	100618807	BSHHYIDCLFNDMI-GUJKFWMDSA-N	431.452	4.307	5	1	IIBF	
CC(C)[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCc1ccccc1	587198565	KIZJWSIQCHRKNF-SFHVURJKSA-N	427.417	4.345	5	1	IIBF	
CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149459	AHQOIYFQTUIPNF-HDICACEKSA-N	437.544	4.406	5	1	IIBF	
C[C@@H]1O[C@@H](n2c3ccc(Cl)cc3c3ccc4c5ccccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O	85599970	LBDPGQPRGMVQFN-LVPOYPBKSA-N	436.895	4.082	5	1	IIBF	
C[N@+]1(CCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	253684835	RKQTVVAARMPEBJ-HVNZXBJASA-O	426.584	4.417	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	587262993	IZWBCCKWMKMENI-ZETCQYMHSA-N	427.310	4.379	5	1	IIBF	
COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587421297	OZVTXCXMSSMOFN-HXPMCKFVSA-N	439.342	4.042	5	1	IIBF	
COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587749020	ZOCUTZIYPXEVBW-NIVTXAMTSA-N	425.254	4.008	5	1	IIBF	
CCN(CC)CCn1nc2c3cc(O)ccc3sc3c(CNC(=O)OC)ccc1c32	838526	DRAPHKVRKJFUQE-UHFFFAOYSA-N	426.542	4.308	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1	82134420	XPOFJPCRSMATDI-JXFKEZNVSA-N	425.533	4.453	5	1	IIBF	
Nc1ccccc1Nc1ccc2c(=O)c3cc(OCCN4CCOCC4)ccc3ccc2c1	95578860	TZGYLMFRYGHMKT-UHFFFAOYSA-N	441.531	4.390	5	1	IIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-]	587265646	XHLLMQWNBDGMLE-HLTSFMKQSA-N	434.212	4.005	5	1	IIBF	
COc1cc(O)c2c(=O)c3c(O)ccc(O)c3oc2c1C[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)O2	2356390757	LGSRUNBAZQOQFF-HOZJOUCCSA-N	426.465	4.208	5	1	IIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(F)cnc(Cl)c2[nH]1	587054265	JFJOYPNBCROKLP-LBPRGKRZSA-N	426.235	4.439	5	1	IIBF	
COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1	103219721	RLVGOEZFGMCFRA-QGZVFWFLSA-N	447.739	4.494	5	1	IIBF	
O=C(NCCc1ccccc1)c1cc2c([N+](=O)[O-])cccc2n(Cc2ccc(F)cc2)c1=O	1772616303	MFDNKLVBUGRDPX-UHFFFAOYSA-N	445.450	4.070	5	1	IIBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)c(F)c(F)c2[nH]1	587117907	MGDJZTYUTMGIST-UHFFFAOYSA-N	440.126	4.084	5	1	IIBF	
O=[N+]([O-])c1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12	587141672	ZVOGYAQFAJFSFX-UHFFFAOYSA-N	430.392	4.217	5	1	IIBF	
CCOC(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587578362	WMAHSYYHFUJBJK-XUZZJYLKSA-N	449.415	4.111	5	1	IIBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)cc2[nH]1	587265003	RCXPOSRKLJFLCF-NZFNHWASSA-N	426.216	4.220	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1	587750907	KKIWCHCSUMRJCD-RNODOKPDSA-N	445.292	4.171	5	1	IIBF	
COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21	962772462	WIQZOCXFUSLSPD-UZLBHIALSA-N	445.397	4.129	5	1	IIBF	
CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCC(C)(C)CO	4273941	RWHJDRBLOISBEM-RTBURBONSA-N	439.940	4.397	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1	587750493	ICHJOZGNKCUKJT-JDNHERCYSA-N	433.237	4.170	5	1	IIBF	
CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCOC	4214618	VOHTXMFWNJWHLA-OALUTQOASA-N	425.913	4.415	5	1	IIBF	
COC(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1	587119532	XRDRPINSHWJOMC-UHFFFAOYSA-N	445.357	4.188	5	1	IIBF	
COc1cc2c3c(c1)O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@H](C)CC(=O)O)[C@@H](C2)C3=O	587420850	JEYRXMRRHADCNI-LHZHGFSSSA-N	431.828	4.011	5	1	IIBF	
O=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CCNCC4)cc23)c1	71296794	UVLXHPUXQLJCPN-UHFFFAOYSA-N	431.418	4.184	5	1	IIBF	
COC1CC(C)(C)N(CCOC(=O)Cc2c(C)[nH]c3cccc([N+](=O)[O-])c23)C(C)(C)C1	587649480	VSYSEWVODWXBML-UHFFFAOYSA-N	431.533	4.138	5	1	IIBF	
Cc1cc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F	587125828	SNMJHPHVAWMVBO-UHFFFAOYSA-N	434.783	4.361	5	1	IIBF	
O=[N+]([O-])c1cc(NC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc1CO	1857772491	GVYMWZVHLRPFFB-UHFFFAOYSA-N	425.407	4.062	5	1	IIBF	
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	586939945	VCEUOJGEVSRVPX-CQSZACIVSA-N	431.521	4.403	5	1	IIBF	
O=C(NCc1ccccc1Cl)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1	82135634	IUUOIPICMMGWML-UHFFFAOYSA-N	437.887	4.457	5	1	IIBF	
COc1ccc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc1OC	299835316	DFPFWXKSUKRQRM-LJQANCHMSA-N	425.444	4.169	5	1	IIBF	
COc1ccc(-c2nnc(-c3ccc4nc(CCCn5ccc([N+](=O)[O-])n5)[nH]c4c3)o2)cc1	587274054	RUPIOEYRUFNKFA-UHFFFAOYSA-N	445.439	4.026	5	1	IIBF	
COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCC(C)C)c([N+](=O)[O-])cc1OC	775422	KAVZJBKEPJBVPJ-UHFFFAOYSA-N	443.431	4.459	5	1	IIBF	
COc1c(C)cc(-c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2[N+](=O)[O-])cc1C	299828952	YBMBIAFTYYWCPL-UHFFFAOYSA-N	426.400	4.374	5	1	IIBF	
CCOC(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)c2cccc(Br)c2CCN1C	963281395	SFLARTMBPIVUGP-FQEVSTJZSA-N	433.302	4.042	5	1	IIBF	
Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2[N+](=O)[O-])cc1	96167952	WXURBADVNZLBTL-UHFFFAOYSA-N	426.454	4.348	5	1	IIBF	
O=C1c2ccccc2C[C@]23C4=C(NCCC4=NC[C@@H]12)c1nccc2c1c3nc1ccccc12	2356848623	PGWPQBKCTVOMEI-HMILPKGGSA-N	428.495	4.249	5	1	IIBF	
COc1cc(C(C)=O)ccc1Oc1cc(NN2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	15936808	BUQCHJBSAUVDBB-UHFFFAOYSA-N	430.417	4.319	5	3	IIBF	
CSc1sc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	586920416	PWLIJBGSRIRGJO-UHFFFAOYSA-N	432.936	4.152	5	1	IIBF	
C[C@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577271	RMQGGFKLSNMPQF-NZQKXSOJSA-N	434.404	4.050	5	1	IIBF	
O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(OC(F)(F)F)cc2[N+](=O)[O-])N1)C(F)(F)F	962727742	AONJJWDUEBNFSI-DZGCQCFKSA-N	434.292	4.229	5	1	IIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(=O)O)c(F)cc2[nH]1	587054068	ISHQCJKEBCLZPY-INIZCTEOSA-N	434.811	4.089	5	1	IIBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)c(F)cc2[nH]1	587265455	ULJWBIPKJDBTTK-NZFNHWASSA-N	443.313	4.071	5	1	IIBF	
CCOc1cc([C@H]2NC(=O)N=C(c3cccnc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O	169702723	JHVSIYWXTWMWDN-PKOBYXMFSA-N	438.465	4.193	5	1	IIBF	
COc1cc2c3c(c4ccc(NS(C)(=O)=O)cc4c2cc1OC)CN1CCCC[C@@H]1C3	473121484	PQRKJBDDRMUNBV-MRXNPFEDSA-N	440.565	4.292	5	1	IIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	587054239	JCSBNWDCDXOJOE-IBGZPJMESA-N	441.875	4.136	5	1	IIBF	
O=C(NCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1cccc(C(F)(F)F)c1	587110740	AZZYODKSEUWLTP-UHFFFAOYSA-N	443.179	4.182	5	1	IIBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1ccc(Cl)c(F)c1	473112982	FBOVTDAGJUPFFR-UHFFFAOYSA-N	433.823	4.328	5	1	IIBF	
O=[N+]([O-])c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1	587118148	KYXMEXYCPKSPQA-UHFFFAOYSA-N	432.318	4.310	5	1	IIBF	
Cc1ccc(CNc2ncc(C(=O)N3CCC(C)CC3)c(-c3cccc([N+](=O)[O-])c3)n2)o1	82135570	WFBUSIWOXVMVKT-UHFFFAOYSA-N	435.484	4.437	5	1	IIBF	
O=C(NCCc1ccccc1F)[C@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	82195677	XEISCCFUMXXENN-HXUWFJFHSA-N	440.500	4.185	5	1	IIBF	
CCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587575074	IGONPEPKJOWYPX-CVDCTZTESA-N	437.404	4.498	5	1	IIBF	
COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@H](O)CCCCC(C)C)cccc3nc12	40954701	KWXXXQCBEMOCFC-NHCUHLMSSA-N	438.524	4.404	5	1	IIBF	biogenic
CCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1	58631695	VHJFQSRUDVDTEO-UHFFFAOYSA-N	434.473	4.275	5	1	IIBF	in-vivo
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(CC2CC2)CCN1C3	72112954	TZOJLLMWKHSMBB-SFHVURJKSA-N	432.564	4.471	5	1	IIBF	
O=C(CCN1CCCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	96258319	VMPADCIHBAIVJF-UHFFFAOYSA-N	439.519	4.297	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Cl)nc2[nH]1	586948157	FMLBRQYKARMPLV-UHFFFAOYSA-N	443.872	4.296	5	1	IIBF	
O=c1nc(N2CCC3(CC2)SCCS3)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12	96910808	NOLQHGMWIVAVSU-UHFFFAOYSA-N	449.501	4.360	5	1	IIBF	
COc1ccc(CN2CCN([C@@H](c3ccc([N+](=O)[O-])cc3)[C@H](O)c3ccccc3)CC2)cc1	169325022	SZEKWFSMNFHTRK-IZZNHLLZSA-N	447.535	4.196	5	1	IIBF	
O=C1CC[C@@H]2C[C@]3(C[C@@H]4CCN1[C@@H]42)Nc1cc([N+](=O)[O-])ccc1N=C3NC1CCCCC1	61958538	HVWGUVUPHIRFLY-NLMORAJGSA-N	437.544	4.132	5	3	IIBF	
O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12	299832308	UOHLNMCEVYEYFD-HJWRWDBZSA-N	447.407	4.208	5	1	IIBF	
COC(=O)c1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c(F)c1Nc1ccccc1	587269278	AAOZZNQOLBEIDR-KRWDZBQOSA-N	449.442	4.383	5	1	IIBF	
COc1ccc2c(=O)c3cc(CN4CCN(c5ccccc5OC)CC4)ccc3oc2c1	96927927	TYGHMVYMNAHTMO-UHFFFAOYSA-N	430.504	4.286	5	1	IIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NCc2cccc3ccccc23)cc1	36476047	ZAUDZTWLAQYJHY-DHIUTWEWSA-N	439.537	4.127	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(Cl)ccnc2[nH]1	586948725	LNNVUIDSIXFCRP-UHFFFAOYSA-N	443.872	4.296	5	1	IIBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)c(Br)cc2[nH]1	587267315	IKMYDXVCKZAHOM-UHFFFAOYSA-N	443.099	4.364	5	1	IIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCCO3	587057449	WVJRWHXXMBSLLM-SFHVURJKSA-N	430.848	4.023	5	1	IIBF	
C[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962692523	FLYYNGJENHTXJN-PKOBYXMFSA-N	437.349	4.096	5	1	IIBF	
CCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587575075	IGONPEPKJOWYPX-WMZHIEFXSA-N	437.404	4.498	5	1	IIBF	
CCCN1Cc2c(c3cc(OC)c(OC)c(OC)c3c3cc(OC)c(OC)cc23)[C@H](O)C1	95572141	YQAXKYBPGHUTRM-GOSISDBHSA-N	441.524	4.295	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(C)c2c1	587620977	MQTGUJVVKLCIAK-UHFFFAOYSA-N	438.465	4.256	5	1	IIBF	
O=C(O)c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc(F)cc3c2=O)cc1	58575396	QGGFOIODGFERBM-NYYWCZLTSA-N	431.379	4.302	5	1	IIBF	
Cc1cc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc2cc1[N+](=O)[O-]	587156843	STFBXACRRBFGPS-UHFFFAOYSA-N	426.429	4.386	5	1	IIBF	
CCN(CC)CCCN=c1[nH]c(/C=C/c2ccc(OC)cc2)nc2cc([N+](=O)[O-])ccc12	1857571928	XEFWEDMJDSRNBO-NTEUORMPSA-N	435.528	4.283	5	1	IIBF	
O=c1oc2ccccc2c(Nc2ccc3c(c2)S(=O)(=O)c2ccccc2O3)c1[N+](=O)[O-]	5597013	FHNGKTRIKMDAJO-UHFFFAOYSA-N	436.401	4.383	5	1	IIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587262192	FZKQTIRBUBVPQE-IWSPIJDZSA-N	434.212	4.005	5	1	IIBF	
CCOc1ccc(N2C(=O)[C@H](Oc3ccc(C=O)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	1857533984	AHXDGUUVBJNZIK-XZOQPEGZSA-N	432.432	4.342	5	1	IIBF	
CCOc1cc([C@@H]2NC(=O)NC(c3cccnc3)=C2c2ccccc2)cc([N+](=O)[O-])c1O	114753441	IIDWQHVTAQYFRQ-NRFANRHFSA-N	432.436	4.017	5	1	IIBF	
COc1ccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2-c2ccc(OC)cc2)cc1	45228723	RNMYSHQNDWPDAY-INIZCTEOSA-N	436.464	4.476	5	1	IIBF	
CS(=O)(=O)c1cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc([N+](=O)[O-])c1Cl	586924411	AAHZGESZZXDPIO-UHFFFAOYSA-N	448.657	4.097	5	1	IIBF	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)c1	587269979	KGYLZMJWMGJKIJ-UHFFFAOYSA-N	439.435	4.259	5	1	IIBF	
COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC	587743921	CACYJZRFKJFASS-YYSFKGJASA-N	425.254	4.137	5	1	IIBF	
CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1	82150355	PNOGHFQXUSIDIG-UHFFFAOYSA-N	431.496	4.314	5	1	IIBF	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2N1	587124793	CJRQXNZCNJCELS-LHLIQPBNSA-N	445.199	4.405	5	1	IIBF	
CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	82214881	CDWCLTPDTALGKX-ROUUACIJSA-N	437.544	4.406	5	1	IIBF	
O=C(Nc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1)Nc1ccccc1[N+](=O)[O-]	96167967	UZEWMNAXLDLOBS-UHFFFAOYSA-N	430.417	4.179	5	1	IIBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Br)c(Br)cc2[nH]1	587267542	MRIANDYRYLNDLV-SSDOTTSWSA-N	429.072	4.110	5	1	IIBF	
Cc1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2c1	586927645	UYXWXCDPSIOMNF-UHFFFAOYSA-N	444.694	4.266	5	1	IIBF	
Cc1cc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2cc1[N+](=O)[O-]	587057486	XNYVMWGVQIEOIB-QGZVFWFLSA-N	431.836	4.468	5	1	IIBF	
COc1cc(O)c2c(=O)c3c(C)cc(OC(=O)C=Cc4ccc(O)c(OC)c4)cc3oc2c1	2356725551	OPJPSLUHZCZFPS-UHFFFAOYSA-N	448.427	4.302	5	1	IIBF	
COc1ccc([N+](=O)[O-])cc1[C@@H](O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12	587623319	PZZFYMATKQILCN-GOSISDBHSA-N	431.246	4.114	5	1	IIBF	
CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(-c4ccc(C(=O)O)cc4)cc3[N+](=O)[O-])c3cccc1c32	963034176	QRHSAMMXGYXSOE-OSPHWJPCSA-N	443.459	4.103	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1[N+](=O)[O-]	587182080	DMHYLYLDVKQMQI-UHFFFAOYSA-N	444.572	4.304	5	1	IIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	587747445	NTVZGJBXCAOVDI-NIVTXAMTSA-N	425.254	4.137	5	1	IIBF	
CS(=O)(=O)n1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)c1	84687513	KJJMLFRSBAIDNP-UHFFFAOYSA-N	439.946	4.121	5	1	IIBF	
COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ccc([N+](=O)[O-])cc3[nH]1)C(=O)OC2	586915626	PBZLRMDNSHPBSF-QCDXTXTGSA-N	437.452	4.286	5	1	IIBF	
COC(=O)c1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c(F)c1Nc1ccccc1	587269688	YTWVJAKSRKVAIO-UHFFFAOYSA-N	436.403	4.148	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cccc([N+](=O)[O-])c2)N1	587744837	GBHYBZFOBZRJPF-WYRIXSBYSA-N	436.281	4.275	5	1	IIBF	
CCOC(=O)c1ccc([C@@]2(c3cccc([N+](=O)[O-])c3)NCCc3c2c(C(C)C)nn3C)cc1	962924187	WBXISIMGXZGYCM-VWLOTQADSA-N	448.523	4.066	5	1	IIBF	
O=C(Nc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1)Nc1cccc([N+](=O)[O-])c1	96167966	JYFAOIMZVYRMAY-UHFFFAOYSA-N	430.417	4.179	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@](c1ccc([N+](=O)[O-])cc1)(c1cc(C=O)n(C)c1)CC2=O	587471531	SWMFRTDKEOCPNB-DEOSSOPVSA-N	434.448	4.313	5	1	IIBF	
CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587039572	GTEOPESPTPTTHC-JTQLQIEISA-N	429.296	4.216	5	1	IIBF	
O=C(NCCc1ccccc1F)[C@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1	82195678	XXXNLXHUTPKDDC-HXUWFJFHSA-N	440.500	4.185	5	1	IIBF	
C[C@H]1O[C@@H](n2c3ccccc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O	85599964	XRSXGTRHWJQWIW-HHTRDJEISA-N	436.895	4.082	5	1	IIBF	
CC(C)c1ccc2nc3ccc(C(=O)N(C)CCCCc4cccnc4)cn3c(=O)c2c1	29564257	YEMLTIATOQFOCO-UHFFFAOYSA-N	428.536	4.461	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1	587719799	QQNJZJNSZHKXJH-YYSFKGJASA-N	427.245	4.333	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c([N+](=O)[O-])ccc(O)c3n2)N1	587750214	HFQDMZJHJJVIPK-DYBLOJMWSA-N	432.249	4.374	5	1	IIBF	
CCCCNS(=O)(=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1	587139873	QURFUFYSUGIDJK-UHFFFAOYSA-N	426.857	4.009	5	1	IIBF	
COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)n5ncc([N+](=O)[O-])c5C)[nH]c4c3)o2)cc1	587268272	ZNMVEAQQBJAIEG-ZDUSSCGKSA-N	445.439	4.311	5	1	IIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(C(=O)O)c4)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587434377	UETMFOZRUVWJMT-MBSDFSHPSA-N	431.400	4.457	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o1)CC2=O	587472695	KTEBEYCLRDUUGK-HXUWFJFHSA-N	425.441	4.414	5	1	IIBF	
CN1C(=O)[C@@H](Cc2ccc(-c3ccccc3[N+](=O)[O-])cc2)NC(=O)c2cc(Cl)ccc21	40564193	KLUDPYKIPAWNTH-LJQANCHMSA-N	435.867	4.233	5	1	IIBF	
COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCNc1ccnc2cc(Cl)ccc12	40897001	RDEFCMFVCFFIFR-UHFFFAOYSA-N	429.864	4.429	5	1	IIBF	
O=[N+]([O-])c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1[N+](=O)[O-]	587184119	NYWUZJYEVUNGCL-SNAWJCMRSA-N	436.165	4.154	5	1	IIBF	
O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F	586961254	QRNBCSFMWIRCAR-MJWYBRSISA-N	444.488	4.305	5	1	IIBF	
C[C@@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587338332	CETBVSMENLJIKS-GGAORHGYSA-N	437.379	4.443	5	1	IIBF	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)c([N+](=O)[O-])c1C	587391288	UEUCOMRMJDLFIM-NRFANRHFSA-N	436.468	4.062	5	1	IIBF	
COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4[nH]1)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O	587431915	IECGEMBYZHECRH-BVZFJXPGSA-N	441.443	4.365	5	1	IIBF	
O=[N+]([O-])c1ccc(N(Cc2ccc(C(F)(F)F)cc2)n2cnnc2)cc1Br	1857583497	VTKWHLTVQFICHN-UHFFFAOYSA-N	442.195	4.438	5	1	IIBF	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCOC)nc1-c1cccc([N+](=O)[O-])c1	82135485	FWZBDZBCEINZLD-UHFFFAOYSA-N	449.511	4.081	5	1	IIBF	
COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587749019	ZOCUTZIYPXEVBW-LZVRBXCZSA-N	425.254	4.008	5	1	IIBF	
O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)nc2c1	587171207	MWDHLFBSCXRLKT-UHFFFAOYSA-N	447.835	4.126	5	1	IIBF	
Cc1c(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cccc1[N+](=O)[O-]	20104876	WXEBTGQNONALKL-GOTSBHOMSA-N	427.460	4.379	5	1	IIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1	587577924	UWCIFXWWUDQTCX-YLJYHZDGSA-N	431.360	4.053	5	1	IIBF	
O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085096	POZMRKIFMBPSKA-LJQANCHMSA-N	442.541	4.019	5	1	IIBF	
COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@@H](C)CC(=O)O)[C@@H](C2)C3=O	587420842	JEYRXMRRHADCNI-GUEQVVBPSA-N	431.828	4.011	5	1	IIBF	
CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21	962668640	OLTNBFLVRVBQQM-RPBOFIJWSA-N	444.491	4.377	5	1	IIBF	
COc1cc([C@H]2Oc3c(cc4c(=O)c5ccccc5oc4c3OC)O[C@H]2OC)ccc1O	2356514993	VLMUGXOFDSJCTM-HYBUGGRVSA-N	436.416	4.154	5	1	IIBF	
O=C1OCCN1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	13587494	DSGSKYFQLYDNTD-QFIPXVFZSA-N	433.464	4.489	5	1	IIBF	
O=C(NCCc1cccc(F)c1)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1	82135721	MINSHRVMVCXHGY-UHFFFAOYSA-N	449.486	4.154	5	1	IIBF	
O=[N+]([O-])c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1	586954216	DLDVKRAFMNGBKR-UHFFFAOYSA-N	436.493	4.193	5	1	IIBF	
Cc1nn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-]	587341622	ZEPBGAXQFKDPEY-SIKLNZKXSA-N	425.416	4.071	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(F)(F)F)c2c1	587619061	ARMHWJXXMAKFIL-UHFFFAOYSA-N	429.376	4.213	5	1	IIBF	
COC1CC(C)(C)N(CCOC(=O)Cc2c(C)[nH]c3cc([N+](=O)[O-])ccc23)C(C)(C)C1	587649658	VZZDKYGOTNGWKF-UHFFFAOYSA-N	431.533	4.138	5	1	IIBF	
COc1ccccc1N1CCN(CCCCc2cc(-c3cccc([N+](=O)[O-])c3)no2)CC1	13441299	ZOLLYWYZUBUMOY-UHFFFAOYSA-N	436.512	4.403	5	1	IIBF	
Cc1onc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080722	XVXIJQQMTLYEFT-UHFFFAOYSA-N	428.623	4.035	5	1	IIBF	
C[C@H]1CCCN(CC(=O)Nc2ccc(Nc3cc(=O)oc4ccc([N+](=O)[O-])cc34)cc2)C1	1857590432	MUUQKDNOJUVJEQ-HNNXBMFYSA-N	436.468	4.115	5	1	IIBF	
COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C(=O)[C@H](OC(C)=O)C(C)(C)O2	26834699	ACRBNYGEMBDJFD-VWLOTQADSA-N	445.471	4.139	5	1	IIBF	
O=[N+]([O-])c1cccc([S@](=O)c2nc(-c3cnn4ccc(Br)cc34)cs2)c1	103299143	OMVNUIYYQUVZGF-AREMUKBSSA-N	449.311	4.295	5	1	IIBF	
Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)cc1	586931538	XNKCFGVGVQBASM-UHFFFAOYSA-N	440.456	4.411	5	1	IIBF	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O	587332183	FLRXKDSWFNQYKM-REWPJTCUSA-N	439.395	4.428	5	1	IIBF	
Cc1ccc(/C=C/c2ncc([N+](=O)[O-])n2CCn2cc(COc3ccccc3)nn2)cc1	1857650457	IVDUREMWASZTNM-VAWYXSNFSA-N	430.468	4.141	5	1	IIBF	
C[C@@H](Nc1ncnc2[nH]c(-c3ccc(NC(=O)CCC(=O)NO)cc3)cc12)c1ccccc1	138884326	KYAOOCWCTRMGPH-OAHLLOKOSA-N	444.495	4.022	5	1	IIBF	
O=[N+]([O-])c1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1	587108028	GIRLLHHZOOQYFB-HNNXBMFYSA-N	440.403	4.016	5	1	IIBF	
O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)C2)o1	28961937	AYYDKEZKHJTZMR-QHCPKHFHSA-N	432.480	4.376	5	1	IIBF	
CCOc1cc([C@H]2NC(=O)N=C(c3cccnc3)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1O	169702721	ADNUWBLFRFEGIQ-TZIWHRDSSA-N	432.436	4.132	5	1	IIBF	
COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)cc1[N+](=O)[O-]	82192416	OIRWKBALJJLDRH-SFHVURJKSA-N	438.509	4.012	5	1	IIBF	
O=C(O)c1cc(F)cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12	587117282	BPINRRSPODPBTD-UHFFFAOYSA-N	449.320	4.239	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)cnc2[nH]1	586949572	ZCBIYEUXHHBKPA-UHFFFAOYSA-N	443.872	4.296	5	1	IIBF	
Cn1nc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21	587131016	VNOSVKBAFLWSHS-UHFFFAOYSA-N	437.366	4.083	5	1	IIBF	
COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587421281	OZVTXCXMSSMOFN-BUXKBTBVSA-N	439.342	4.042	5	1	IIBF	
CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587572917	AHULPCKRBWIVKA-ZJSXRUAMSA-N	449.415	4.111	5	1	IIBF	
COCCN1C(=O)CC[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H]1c1ccccc1Cl	587062649	IACGPDIVZJBSSH-MGPUTAFESA-N	428.876	4.218	5	1	IIBF	
CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)CN(C)C	4213303	SIEIHEVXROWHPH-KPOBHBOGSA-N	438.956	4.328	5	1	IIBF	
CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)n1	299851064	DVDWJRRALCINNP-UHFFFAOYSA-N	431.445	4.010	5	1	IIBF	
Cn1c2ccccc2c(=Nc2ccc(NS(=O)(=O)CCCCN)cc2)c2ccccc21	377825253	UIICPJUXNRQZAI-UHFFFAOYSA-N	434.565	4.045	5	1	IIBF	
Cc1ccc2c3c(cc(/C(=C/N(C)C)n4cc([N+](=O)[O-])cn4)nc13)-c1ccccc1C2=O	587098935	UVTDZNMILWZFJD-BKUYFWCQSA-N	425.448	4.268	5	1	IIBF	
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587661009	KMAUPZNXBRAUKH-CQSZACIVSA-N	433.395	4.219	5	1	IIBF	
CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)CC	4213398	KXTMJESCNYTIEP-ZMYBRWDISA-N	425.913	4.149	5	1	IIBF	
O=C(NC/C=C/CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+](=O)[O-])cc1	13608804	DWDPBNBMFRTKEL-OWOJBTEDSA-N	449.338	4.010	5	1	IIBF	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2N1	587124790	CJRQXNZCNJCELS-LDWIPMOCSA-N	445.199	4.405	5	1	IIBF	
CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587746342	MRZSDJTXWRHTBD-XYZCENFISA-N	425.254	4.224	5	1	IIBF	
CCCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br	587259932	JBWTXYQRAQFMLT-AVGNSLFASA-N	438.322	4.165	5	1	IIBF	
CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C=C([N+](=O)[O-])C(C)(C)O2	28705795	FEWGEWRIPSGAMQ-UHFFFAOYSA-N	437.496	4.489	5	1	IIBF	
O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)OCc1ccc([N+](=O)[O-])cc1	586987204	LFTOKEDFHNDCPS-UHFFFAOYSA-N	440.411	4.346	5	1	IIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)nc1C(F)(F)F	587118052	JDHIIBCTSWPNCI-UHFFFAOYSA-N	427.346	4.278	5	1	IIBF	
Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c1	13878852	PWXDLOAJQAKQJM-NRFANRHFSA-N	438.528	4.303	5	3	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(S)c2c1	587619193	BWRUOQYBJWSJDR-UHFFFAOYSA-N	447.416	4.193	5	1	IIBF	
CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	775215	CMSGRIXSRAPLOK-LBPRGKRZSA-N	433.823	4.210	5	1	IIBF	
C[N@+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	253684843	RKQTVVAARMPEBJ-NEEKEDPPSA-O	426.584	4.417	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1	587748591	AFIIFPLHZFWFKG-LZVRBXCZSA-N	433.233	4.226	5	1	IIBF	
CCOC(=O)c1c(Br)c(-c2ccc([N+](=O)[O-])cc2)c(Br)n1C	1638630	IDDOOEKVAPJKAG-UHFFFAOYSA-N	432.068	4.302	5	1	IIBF	
COC(=O)c1c(Cc2cccc([N+](=O)[O-])c2)[nH]c2c1c(Br)cc1n[nH]cc12	587622434	BDLRHRYBPWTGPZ-UHFFFAOYSA-N	429.230	4.092	5	1	IIBF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1	962981659	VMKLSKUBGCVPMK-PXNSSMCTSA-N	445.809	4.277	5	1	IIBF	
COc1cc([C@H]2Oc3c(cc4c(=O)c5ccccc5oc4c3OC)O[C@@H]2OC)ccc1O	2356514995	VLMUGXOFDSJCTM-YKSBVNFPSA-N	436.416	4.154	5	1	IIBF	
CCOC(=O)N1COCc2c1ccc1cc3ccc4c(c3nc21)COCN4C(=O)OCC	28090170	SMUVMOSYBRZRQF-UHFFFAOYSA-N	437.452	4.289	5	1	IIBF	
CC1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc([N+](=O)[O-])c2)CC1	82135711	KCSSBZVIBKUUHT-QZTJIDSGSA-N	437.544	4.406	5	1	IIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(COc4cc(F)ccc4[N+](=O)[O-])o1)[C@@H](C2)C3=O	587430058	ZGVJEHLDZIOHBT-NYHFZMIOSA-N	425.368	4.403	5	1	IIBF	
CCCCNC[C@@H](O)COc1cc(OCCCC)c2c(=O)c3cccc(OC)c3oc2c1	1772588477	WJAXOVPTGDZGID-QGZVFWFLSA-N	443.540	4.263	5	1	IIBF	
Cc1cccc(N2CCN(C(=O)c3cccn4c(=O)c5cc(Cl)ccc5nc34)C[C@H]2C)c1	2957415	DHUIBTGHORZTNQ-QGZVFWFLSA-N	446.938	4.160	5	1	IIBF	
C[C@](O)(CSc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	28086881	HBWZEPFGORKQPV-INIZCTEOSA-N	445.375	4.004	5	1	IIBF	
CCCc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	299852915	ZGHKGCZTOQVKBS-UHFFFAOYSA-N	428.452	4.442	5	1	IIBF	
CN1C(=O)C[C@H]2CN[C@@H](c3ccc(OCc4ccccc4)cc3[N+](=O)[O-])c3cccc1c32	963032649	SEZNFFMZNFWRIQ-GKVSMKOHSA-N	429.476	4.317	5	1	IIBF	
CC(C)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	773831	NTMDHRXYNZDHDB-UHFFFAOYSA-N	427.388	4.170	5	1	IIBF	
Cc1ccc2c(OCCN3CCN(Cc4ccc(Cl)c([N+](=O)[O-])c4)CC3)cccc2n1	13643848	UNVYWLOYBPSPIR-UHFFFAOYSA-N	440.931	4.301	5	1	IIBF	
O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1	82135397	YIXZBVIZYMKMOT-UHFFFAOYSA-N	435.459	4.082	5	1	IIBF	
O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1	82149072	GEKGLCGJFMKIII-UHFFFAOYSA-N	435.459	4.082	5	1	IIBF	
COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc(Cl)c([N+](=O)[O-])n1	587380350	SZTNJHYJFXCWJJ-IBGZPJMESA-N	442.859	4.099	5	1	IIBF	
COc1c(O)cc2oc3cc(O)cc(O)c3c(=O)c2c1CC=C(C)CC=CC(C)(C)O	2356534312	KJAAMJGLBFDRRW-UHFFFAOYSA-N	426.465	4.278	5	1	IIBF	
Cc1cc(N2CCOCC2)nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12	3649715	BXDKBZHOVVZUMU-UHFFFAOYSA-N	426.860	4.194	5	1	IIBF	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Br)nn1-c1ncccc1Cl	103291022	DRQZPTVSIMIQDO-UHFFFAOYSA-N	436.653	4.152	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)CC2=O	587493606	SQFJHBIGAFDAGH-SFHVURJKSA-N	440.481	4.239	5	1	IIBF	
Cc1c(Br)ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12	586927695	VNVBXEWBQSIOFD-UHFFFAOYSA-N	444.694	4.266	5	1	IIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587265656	XHLLMQWNBDGMLE-IWSPIJDZSA-N	434.212	4.005	5	1	IIBF	
COc1ccc(SC[C@@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1	28089612	ZMLBRQBYJMFACT-QGZVFWFLSA-N	430.404	4.104	5	1	IIBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	587263569	CFWMPQWNSQPOOJ-NXSYQRQQSA-N	443.313	4.071	5	1	IIBF	
CCOC(=O)c1cc(Br)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1	587158464	FVDCYMVFJXBEHN-UHFFFAOYSA-N	438.209	4.128	5	1	IIBF	
Cc1cc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2cc1[N+](=O)[O-]	587238088	AREMPYVIFKZCPM-OIAISFKWSA-N	430.505	4.335	5	1	IIBF	
CN1C(=O)C[C@@H]2CN[C@H](c3ccc(OCc4ccccc4)cc3[N+](=O)[O-])c3cccc1c32	963032646	SEZNFFMZNFWRIQ-CRICUBBOSA-N	429.476	4.317	5	1	IIBF	
CC(C)CN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82134689	VZPBHPQZMYRHSL-IAGOWNOFSA-N	425.533	4.262	5	1	IIBF	
CC1=C[C@H](CN2CCOCC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	2356848269	ODRJFQNKJAOSGH-TUNNFDKTSA-N	440.544	4.374	5	1	IIBF	
CC(=O)Nc1ccc(-c2nc3c(C(=O)NCCN(C)C)cccc3c3ccccc23)cc1	27879090	HXHZMWBGUMFCHQ-UHFFFAOYSA-N	426.520	4.305	5	1	IIBF	
O=C(Nc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C1CCN(c2ccncc2)CC1	96285760	MYDSQYUOGXJDOZ-UHFFFAOYSA-N	432.480	4.424	5	1	IIBF	
COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	103219714	KUBFTOVMFGRMGD-QGZVFWFLSA-N	429.749	4.355	5	1	IIBF	
CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)[C@H]2c2ccccc2)cc([N+](=O)[O-])c1O	169702720	ADNUWBLFRFEGIQ-CTNGQTDRSA-N	432.436	4.132	5	1	IIBF	
O=[N+]([O-])c1cc(N[C@H]2CCCN(Cc3ccccc3OC(F)(F)F)C2)ccc1CO	1857771314	JRTACNGLJSZYHT-KRWDZBQOSA-N	425.407	4.062	5	1	IIBF	
C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2o1	13674357	XUJDKFIEXNZSEL-CQSZACIVSA-N	425.445	4.283	5	1	IIBF	
CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C(F)(F)C1	587132141	KYFJSUOSQFWPTA-MRVPVSSYSA-N	447.236	4.203	5	1	IIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Cl)c2[nH]1	587264874	ABRCPBNGFMCWMJ-LURJTMIESA-N	441.629	4.363	5	1	IIBF	
CCOC(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	40763965	FEWXVSNZEBUYBJ-UHFFFAOYSA-N	443.264	4.270	5	1	IIBF	
CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82134684	VZPBHPQZMYRHSL-CALCHBBNSA-N	425.533	4.262	5	1	IIBF	
O=C1OCCN1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	13587495	DSGSKYFQLYDNTD-JOCHJYFZSA-N	433.464	4.489	5	1	IIBF	
CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC1CCCCC1	82081943	SIHBAQPBMSSKBH-IBGZPJMESA-N	444.557	4.169	5	1	IIBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(C(F)(F)F)c2[nH]1	587263571	CFWMPQWNSQPOOJ-WJWGPLDTSA-N	443.313	4.071	5	1	IIBF	
CCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587575073	IGONPEPKJOWYPX-AUSIDOKSSA-N	437.404	4.498	5	1	IIBF	
O=C(O[C@@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1	1857591984	QGACZOPMYZXVSJ-YNRGKGSCSA-N	442.579	4.317	5	1	IIBF	
O=C(NCCc1cccc(F)c1)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1	82216981	AIUUDDMNOOKUGN-UHFFFAOYSA-N	449.486	4.154	5	1	IIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(I)cnc2[nH]1	587110168	UYKCJVABIHCUEL-UHFFFAOYSA-N	448.142	4.080	5	1	IIBF	
CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3cccc([N+](=O)[O-])c23)c(C(=O)OCC)n1	587647954	VJMKCTDXGTXKBY-UHFFFAOYSA-N	448.435	4.282	5	1	IIBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)Nc1ccc(OCc2ccc(F)c(F)c2)cc1	1772655823	MJDMSZQJPWSVPL-UHFFFAOYSA-N	432.383	4.206	5	1	IIBF	
CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cncc([N+](=O)[O-])c4[nH]3)nc2n1	587115290	RMLIVIOUAOPDRE-UHFFFAOYSA-N	437.407	4.332	5	1	IIBF	
O=[N+]([O-])c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1	587158318	WGRFTOIINBRGFO-UHFFFAOYSA-N	432.209	4.208	5	1	IIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-]	587262198	GALFXWUTPVDLFE-QNSHHTMESA-N	434.212	4.005	5	1	IIBF	
CC(C)Oc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br	587270202	RXGNTEMTEIIMJI-UHFFFAOYSA-N	443.261	4.269	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1	82134419	XPOFJPCRSMATDI-UZLBHIALSA-N	425.533	4.453	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149641	PNYFITHHBYDCPY-IRXDYDNUSA-N	425.533	4.262	5	1	IIBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	587273121	DYQCSNYASOWBFF-UHFFFAOYSA-N	442.273	4.366	5	1	IIBF	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccncc2)O[C@@H]1c1c[nH]c2ccccc12	653737449	ZHTSFPWQKUCCTL-VWTHGPEQSA-N	439.431	4.404	5	1	IIBF	
COc1ccc(-c2nn(-c3cc(OC)c(OC)c(OC)c3)c3ncccc23)cc1[N+](=O)[O-]	1911574438	SVADYVUMISCLKD-UHFFFAOYSA-N	436.424	4.030	5	1	IIBF	
C[C@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587338316	CETBVSMENLJIKS-FYYLOGMGSA-N	437.379	4.443	5	1	IIBF	
COc1ccc(Br)c(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)c1	73297071	UIOXLVCHGAJMQN-UHFFFAOYSA-N	432.259	4.199	5	1	IIBF	
CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	82214879	CDWCLTPDTALGKX-HDICACEKSA-N	437.544	4.406	5	1	IIBF	
CC(C)Oc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br	587269356	LWMVUIXKFIEJDR-UHFFFAOYSA-N	434.246	4.412	5	1	IIBF	
CCCCNc1ccc([C@@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-]	13878876	IHMPLDKDJLFCJL-JOCHJYFZSA-N	448.523	4.235	5	3	IIBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	587265913	SHBFFDVBFZVMBZ-JTQLQIEISA-N	445.195	4.201	5	1	IIBF	
COc1ccc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1	58569257	ILZHIKMHEYERHC-YIXHJXPBSA-N	443.415	4.171	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC	587575324	JCRNRBRFKJQARW-NZQKXSOJSA-N	437.404	4.195	5	1	IIBF	
COc1cc2c(cc1OC)[C@@H](c1ccc(OC(F)(F)F)cc1[N+](=O)[O-])N(C)[C@@H](C)C2	962628169	OOZXYNOWCIBZEF-JEOXALJRSA-N	426.391	4.476	5	1	IIBF	
O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCN1	103204978	BGMLWWCIIYZKLD-GOSISDBHSA-N	439.578	4.053	5	1	IIBF	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586935245	CRZYSRDLTVHTHJ-MRXNPFEDSA-N	443.312	4.454	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3ccc([N+](=O)[O-])n3)c1)CC2=O	587469864	HMJDCPYORAPPKZ-OAQYLSRUSA-N	437.452	4.213	5	1	IIBF	
COc1ccccc1C(=O)Nc1cccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)c1	1857555691	JEWLWPVBMFIICX-UHFFFAOYSA-N	431.408	4.248	5	1	IIBF	
CCOC(=O)c1cc(-c2ccccc2C)n(C[C@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)n1	36387275	WMBQTIHGBIRCLN-GOSISDBHSA-N	434.452	4.137	5	3	IIBF	
N=C(N)SCc1cc(F)ccc1Sc1c(CSC(=N)N)cccc1[N+](=O)[O-]	84689895	CVMSUYIJINTNIC-UHFFFAOYSA-N	425.536	4.138	5	1	IIBF	
CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1	587140499	HDURXMNQQOMSNS-OAHLLOKOSA-N	440.884	4.329	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1	587748590	AFIIFPLHZFWFKG-DYBLOJMWSA-N	433.233	4.226	5	1	IIBF	
COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587742890	BNQKUYBRQSTDNP-NIVTXAMTSA-N	425.254	4.008	5	1	IIBF	
CC(C)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	774814	WHCNGPYEPQAISJ-UHFFFAOYSA-N	429.816	4.437	5	1	IIBF	
CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1	36190359	QZJDWMYQUUOVPQ-UHFFFAOYSA-N	435.502	4.264	5	1	IIBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	587267727	PLYZLINLRVTWBH-ZETCQYMHSA-N	434.172	4.246	5	1	IIBF	
CCCc1c(O)ccc2c1OC1(CCN(c3ccc([N+](=O)[O-])c(OC)c3)CC1)CC2=O	587468090	APGVPRMWQGQKNY-UHFFFAOYSA-N	426.469	4.266	5	1	IIBF	
COc1ccc(C(C)=O)c(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1	15936254	OHAAMRBSPMNHTD-UHFFFAOYSA-N	430.417	4.319	5	3	IIBF	
CCCCC/C=C\CCC(=O)N[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)CC(C)C	26745433	PNDFEJQLAHUEBI-ZCPJJFRWSA-O	435.566	4.274	5	1	IIBF	
O=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCOCC1	103263950	UPOOBDMZXYSRQK-UHFFFAOYSA-N	432.480	4.009	5	1	IIBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(Cc2ccc(C)cc2)cc1[N+](=O)[O-]	587872419	XTZKHYJDSXBCGW-UHFFFAOYSA-N	449.442	4.238	5	1	IIBF	
CC(C)(C)N(Cc1ccccc1C(F)(F)F)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1	66252186	RXKZMCAJNPTKTJ-UHFFFAOYSA-N	428.363	4.191	5	1	IIBF	
CCCOc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br	587269258	JNXDBVKYZDZXPN-UHFFFAOYSA-N	443.261	4.270	5	1	IIBF	
CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587428168	XMWILLDOXMCXRA-KOSHJBKYSA-N	434.423	4.475	5	1	IIBF	
O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	40896503	REHDQKDPIDCDEN-UHFFFAOYSA-N	436.295	4.070	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1cccc(OC(F)(F)F)c1)C2	45256378	QJDGTMUGTYIJBJ-INIZCTEOSA-N	435.358	4.335	5	1	IIBF	
CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2cccc([N+](=O)[O-])c2)C1	82135092	XMWRTAKFDYEJFG-SJORKVTESA-N	441.532	4.151	5	1	IIBF	
Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	96167950	DTLCOCRLGUKLHY-UHFFFAOYSA-N	426.454	4.348	5	1	IIBF	
Cc1ccc([C@H](C[N+](=O)[O-])SC(=S)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1	1857651368	PQCZGYJIEFJUNY-ULQDDVLXSA-N	437.587	4.025	5	1	IIBF	
COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC3CCCCC3)n2)cc1[N+](=O)[O-]	82192395	NDJJVMIPBVPEOE-KRWDZBQOSA-N	430.530	4.145	5	1	IIBF	
CS(=O)(=O)c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc([N+](=O)[O-])c1Cl	586928163	YKJXPEHZAPDTPF-UHFFFAOYSA-N	448.657	4.097	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1	587748794	WMUBJPUHKQXGHK-YMTOWFKASA-N	425.302	4.151	5	1	IIBF	
CCCCNc1ccc([C@H](CC(N)=O)NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-]	13878877	IHMPLDKDJLFCJL-QFIPXVFZSA-N	448.523	4.235	5	3	IIBF	
COc1ccc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)n(-c3cccc(C(=O)O)c3)c(=O)c2c1	58590674	QGELATWZMBBEFM-KPKJPENVSA-N	443.415	4.171	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1	82147786	NOZONZPRCVFIPK-OXQOHEQNSA-N	425.533	4.453	5	1	IIBF	
CCN(C)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1	82149960	LLUJUDPRHONMSC-UHFFFAOYSA-N	425.876	4.409	5	1	IIBF	
CCN(C)c1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1	105175949	DRROAMXDQYDGDM-QHERXFFYSA-N	437.544	4.308	5	1	IIBF	
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SC(N)=N2	17222123	DMGXLKKZVBSGHX-MRXNPFEDSA-N	427.873	4.224	5	1	IIBF	
C[N+]1(CCc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	34802141	RKQTVVAARMPEBJ-PAMMARIWSA-O	426.584	4.417	5	1	IIBF	
Cc1nc(C(=O)NCc2ccccc2)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1	13478256	RKROUCRPAWJQCZ-JOCHJYFZSA-N	436.493	4.330	5	3	IIBF	
CN(C)CCN=c1c2ccccc2n(C)c2c1oc1ccc(OCCC[N+](C)(C)C)cc12	1772610939	PPXXYDAMYIOIQC-UHFFFAOYSA-N	435.592	4.015	5	1	IIBF	
O=C(NCC1CC1)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1	82148575	DGLBRGBXLLXNTO-UHFFFAOYSA-N	437.887	4.457	5	1	IIBF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c2N)C1	586954601	DIHKXRDOUYPXNZ-UHFFFAOYSA-N	442.544	4.436	5	1	IIBF	
Cn1nc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21	587131079	WNNIQYBLGVTHCB-UHFFFAOYSA-N	437.366	4.083	5	1	IIBF	
N[C@H]1CC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	587246043	BHIZKXLRKLUNGW-UGSOOPFHSA-N	441.443	4.050	5	1	IIBF	
Cc1nn(Cc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2)c(C)c1[N+](=O)[O-]	587876092	YXVRQSSUKRRSMS-UHFFFAOYSA-N	433.399	4.253	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC	587747429	NTQDJSCOGKVDDA-GIGQVBGESA-N	439.281	4.311	5	1	IIBF	
O=c1c([C@@H](Nc2ccc([N+](=O)[O-])cc2)c2nnnn2C2CCCCC2)coc2ccccc12	103269338	PNXWPJDQYQBNSI-OAQYLSRUSA-N	446.467	4.394	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	587754660	ZVIBKNVQZASFJQ-NSPYISDASA-N	436.281	4.275	5	1	IIBF	
CSc1sc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C	586920827	ZKJCZCVYIDPUNR-UHFFFAOYSA-N	432.936	4.152	5	1	IIBF	
CC(C)OC(=O)C1=C(C(C)C)NC(=O)N(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	96272082	HGOXWCJNVIMSIE-SFHVURJKSA-N	433.461	4.068	5	1	IIBF	
C[N@+]1(CCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	253684631	NBVYRBDIADJELP-VVFBEHOQSA-O	442.583	4.253	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Cl	587186823	VWBCHIRJXLDUAN-UHFFFAOYSA-N	439.600	4.044	5	1	IIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1[N+](=O)[O-])O2	587373934	UPOAVQVWQPEXIW-MRXNPFEDSA-N	446.674	4.247	5	1	IIBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12	586998230	ZMTBGOAVDRCCEI-CYBMUJFWSA-N	427.052	4.078	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	587261876	DLSVSPDPIJVDQG-SECBINFHSA-N	435.339	4.144	5	1	IIBF	
CCN(CC)CCOc1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1	1647517	AOVDCRLGQWABSP-UHFFFAOYSA-N	433.464	4.269	5	1	IIBF	
CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-]	13726485	JONYPUKQVRMTRD-UHFFFAOYSA-N	437.522	4.325	5	1	IIBF	
O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2c(F)cc(F)cc2[N+](=O)[O-])N1	962926754	VCEOXVIKYNOEJP-RXVVDRJESA-N	442.374	4.059	5	1	IIBF	
CS(=O)(=O)Oc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1	87328085	UQIGJGCMAXJHLJ-UHFFFAOYSA-N	444.490	4.337	5	1	IIBF	
O=[N+]([O-])c1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1[N+](=O)[O-]	587166449	SFZBIWOYJKGRCJ-UHFFFAOYSA-N	438.400	4.485	5	1	IIBF	
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)[C@H](O)[C@@H]1CCC[N@+]1([O-])C3	255236851	MSEYHQHYVWQFRE-YRSQORNKSA-N	425.481	4.051	5	1	IIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587262196	GALFXWUTPVDLFE-FKTZTGRPSA-N	434.212	4.005	5	1	IIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	587749091	WZUNOQXMVWSKEY-HUTHGQBESA-N	425.254	4.137	5	1	IIBF	
CCc1ccccc1[C@@H]1CCN(Cc2cccnc2)[C@H](c2ccc(O)c(N)c2)[C@H]1[N+](=O)[O-]	40602082	RYKOVRBTUXDMJS-GPUOULLFSA-N	432.524	4.308	5	1	IIBF	
CCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587575076	IGONPEPKJOWYPX-XXBNENTESA-N	437.404	4.498	5	1	IIBF	
CCOC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587575890	LENBRZNMVGPUTK-ZJSXRUAMSA-N	449.415	4.111	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cccc([N+](=O)[O-])c2)N1	587748211	STWDRWXJMSWEMP-BNXIHZENSA-N	434.309	4.350	5	1	IIBF	
CCO[C@@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@@H](OC)[C@@H](C)/C=C/CC(=O)OC	13783004	ODXWPZBXBHPTPI-MOFQODFASA-N	439.505	4.096	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1Cl	586952333	BRAYJRLYTMJKLT-UHFFFAOYSA-N	435.874	4.049	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	587753639	VZAUZQMJZOSMKQ-JEOXALJRSA-N	436.281	4.275	5	1	IIBF	
Cc1ccc([C@@H](C[N+](=O)[O-])SC(=S)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1	1857651369	PQCZGYJIEFJUNY-YESZJQIVSA-N	437.587	4.025	5	1	IIBF	
CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCOC	4214617	VOHTXMFWNJWHLA-RBUKOAKNSA-N	425.913	4.415	5	1	IIBF	
CCN(CC)CC1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1	1857768722	WHLXWXVTMLJYDI-UHFFFAOYSA-N	444.479	4.142	5	1	IIBF	
CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	586937496	FPDFFENZRWBJLO-AWEZNQCLSA-N	431.521	4.403	5	1	IIBF	
O=[N+]([O-])c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1[N+](=O)[O-]	586999193	VCVKOXGEGFFCPC-UPHRSURJSA-N	433.174	4.041	5	1	IIBF	
COCCNc1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1[N+](=O)[O-]	587262338	RXHVQUGVLZTRAG-UHFFFAOYSA-N	426.658	4.007	5	1	IIBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1c(C)cc(C)cc1C	35998304	DTVMDLPSENVVDE-UHFFFAOYSA-N	448.545	4.442	5	1	IIBF	
COc1cc(NC(=O)COc2cccc3c2ccc2c(C)cc(=O)oc23)cc(OC)c1OC	84618435	MMDCVBSBNIQDMQ-UHFFFAOYSA-N	449.459	4.298	5	1	IIBF	
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	586936002	LACKBQPVJZZZBG-OAHLLOKOSA-N	448.570	4.169	5	1	IIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587262191	FZKQTIRBUBVPQE-HRDYMLBCSA-N	434.212	4.005	5	1	IIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)Nc1ccccc1)(c1ccc([N+](=O)[O-])cc1)O2	587391763	YMZQSRZWMOUJMS-DEOSSOPVSA-N	431.448	4.375	5	1	IIBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	587118639	SHMRYDUWLMBEJR-UHFFFAOYSA-N	429.358	4.274	5	1	IIBF	
O=C(O)CCN(CCc1nc2c3cccnc3c3ncccc3c2[nH]1)Cc1ccccc1	587193401	JHXPBOKIGTVRIX-UHFFFAOYSA-N	425.492	4.179	5	1	IIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1cc([N+](=O)[O-])cn1)c1ccccc1	587573320	BCXGFWZBJMPLRK-XUZZJYLKSA-N	443.415	4.054	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	587747431	NTQDJSCOGKVDDA-OVWNDWIMSA-N	439.281	4.311	5	1	IIBF	
CCOC(=O)c1ccc2nc3c(O)c(Br)cc(Br)c3nc2c1	1857767173	MXWXBTHOJRPMIO-UHFFFAOYSA-N	426.064	4.190	5	1	IIBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	587270051	IZVHKBYBRMMWRW-LBPRGKRZSA-N	429.196	4.495	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)CC2=O	587493602	SQFJHBIGAFDAGH-GOSISDBHSA-N	440.481	4.239	5	1	IIBF	
COc1cc(N=c2[nH]cnc3cc(-c4ccc([N+](=O)[O-])cc4)sc23)cc(OC)c1OC	1857571906	QVNNMLOTALBFJM-UHFFFAOYSA-N	438.465	4.458	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o1)CC2=O	587472694	KTEBEYCLRDUUGK-FQEVSTJZSA-N	425.441	4.414	5	1	IIBF	
CC(C)C[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	1857575063	PREUWFUZUHOHMJ-INIZCTEOSA-N	440.283	4.390	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@H](C)[C@@H](OC)[C@@H](C)C=CCC(=O)OC	1857622727	ODXWPZBXBHPTPI-YQMDMEMYSA-N	439.505	4.096	5	1	IIBF	
O=C(O)C[C@H](c1c(O)c2ccccc2oc1=O)c1cc(=O)oc2c1ccc1ccccc12	1857634065	WVHBXYIALLQZLS-SFHVURJKSA-N	428.396	4.365	5	1	IIBF	
CCOc1cc(CN2CCC(Nc3nc4cc([N+](=O)[O-])ccc4o3)CC2)ccc1OC	49020169	VJSJPWFDQKGSJE-UHFFFAOYSA-N	426.473	4.220	5	1	IIBF	in-vitro
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2[C@@H](OCc2ccccc2)[C@@H]1CO	299869516	UVGCTUNSSGYMCB-JZCNTLAZSA-N	444.487	4.269	5	1	IIBF	
CN1CCc2c(Br)cccc2[C@@H]1c1cccc(OCn2ccc([N+](=O)[O-])n2)c1	963289212	JTICRLXQUURWOS-FQEVSTJZSA-N	443.301	4.168	5	1	IIBF	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135764	HWSRUZBCRDMDSD-HDICACEKSA-N	445.523	4.464	5	1	IIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1	587268793	AFZSLOIQWPXCHD-UHFFFAOYSA-N	434.374	4.390	5	1	IIBF	
COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O	587507912	DELLHBFRNUKBSE-BUXKBTBVSA-N	441.436	4.041	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1	587736955	XMUQJZRIYRUOJH-DYBLOJMWSA-N	425.229	4.196	5	1	IIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc([N+](=O)[O-])cc1F	587860710	DXRUHDHGEMYDPA-UHFFFAOYSA-N	439.321	4.344	5	1	IIBF	
NC(=O)c1cnc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)c1	103282319	WEZGBIUJIAJMNL-UHFFFAOYSA-N	440.121	4.066	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cncc(Cl)c2[nH]1	586948006	CJYPFIIRDRZXPG-UHFFFAOYSA-N	443.872	4.296	5	1	IIBF	
O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1N=C(c2ccncc2)O[C@@H]1c1c[nH]c2ccccc12	653719111	RYZNCZPMWNIWTQ-XXXZYALBSA-N	439.431	4.404	5	1	IIBF	
O=c1c2c(oc3cc(C(F)(F)F)ccc13)N1C[C@@H]3CCC[N@+]4([O-])CCC[C@@H]([C@H]34)[C@H]1CC2	1857609607	VTENJSKZUAUBDD-SRZHIBDSSA-N	434.458	4.450	5	1	IIBF	
O=C1NC(=O)c2c1c1c3ccc(CN4CCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3	14945587	LSBFODWZQBUGEH-UHFFFAOYSA-N	434.499	4.465	5	1	IIBF	
CS(=O)(=O)c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl	586928227	ZMNBBXNWRGUNGU-UHFFFAOYSA-N	437.758	4.353	5	1	IIBF	
Cc1oc(-c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[nH]2)cc1[N+](=O)[O-]	587268708	JNFMTZBIYXWMHV-UHFFFAOYSA-N	432.845	4.494	5	1	IIBF	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(F)(F)F	587382061	NASPRJJPBRYBHF-HNNXBMFYSA-N	426.347	4.142	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	587753640	VZAUZQMJZOSMKQ-NSPYISDASA-N	436.281	4.275	5	1	IIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc([N+](=O)[O-])cc1Cl	587867201	UQMXUCGNMMDJBD-UHFFFAOYSA-N	426.738	4.223	5	1	IIBF	
O=C(O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1C(F)(F)F	621476381	KAXNTVDYWHOMAZ-UHFFFAOYSA-N	430.294	4.266	5	1	IIBF	
COc1cccc(NC(=O)Nc2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1	261136344	MCWBQTCZBWNZJL-UHFFFAOYSA-N	438.421	4.477	5	1	IIBF	
CCOC(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587578361	WMAHSYYHFUJBJK-URXFXBBRSA-N	449.415	4.111	5	1	IIBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1	587273983	MCNHBDSLXNITMK-UHFFFAOYSA-N	444.373	4.295	5	1	IIBF	
Cc1nn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-]	587341620	ZEPBGAXQFKDPEY-KNQAVFIVSA-N	425.416	4.071	5	1	IIBF	
O=C(O)c1cccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12	587117585	FPOJBRHLEOGKIT-UHFFFAOYSA-N	431.330	4.100	5	1	IIBF	
O=[N+]([O-])c1cccnc1NCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	587269157	QYVGUDVUVZWPGX-UHFFFAOYSA-N	432.156	4.139	5	1	IIBF	
CC/C(C)=C(\N)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620792	GLRMEMHHFXGEAK-NDENLUEZSA-N	444.513	4.294	5	1	IIBF	
COc1cccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1	96167993	JHFVUACCNILCAC-UHFFFAOYSA-N	442.453	4.048	5	1	IIBF	
Cc1cc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2cc1[N+](=O)[O-]	587057484	XNYVMWGVQIEOIB-KRWDZBQOSA-N	431.836	4.468	5	1	IIBF	
COC(=O)C(C)(C)CCCOc1cccc(OCCCC(C)(C)C(=O)OC)c1[N+](=O)[O-]	25978802	VCJWRFBAJLQKIW-UHFFFAOYSA-N	439.505	4.311	5	1	IIBF	
O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc([N+](=O)[O-])ccc12	587647876	SQQUKVJJCOSHMA-UHFFFAOYSA-N	428.360	4.452	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2cccc([N+](=O)[O-])c2)N1	587744835	GBHYBZFOBZRJPF-NSPYISDASA-N	436.281	4.275	5	1	IIBF	
COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(C)C)n2)cc1[N+](=O)[O-]	82192287	DHSFYPVRVZEMTE-AWEZNQCLSA-N	438.575	4.033	5	1	IIBF	
O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCN(Cc5ccccc5)CC4)cc3)C2)o1	28961932	AYYDKEZKHJTZMR-HSZRJFAPSA-N	432.480	4.376	5	1	IIBF	
O=[N+]([O-])c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	586957502	BXCPRKQZTZXASO-KPOBHBOGSA-N	426.498	4.166	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1	587748897	BKBCWCDEFQEUSQ-XXFAHNHDSA-N	433.237	4.170	5	1	IIBF	
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1F	1772607410	JHBPRTWKQBQKNL-UHFFFAOYSA-N	439.450	4.203	5	1	IIBF	
COc1cc2c(cc1OC)[C@](C)(c1cc(N3CCCC3)ccc1[N+](=O)[O-])N(C)[C@@H](C)C2	962632610	PCWYNORMSIHRKO-UPCLLVRISA-N	425.529	4.352	5	1	IIBF	
Cc1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc2cc1[N+](=O)[O-]	587170917	VYRCKFSELITFBE-UHFFFAOYSA-N	426.429	4.386	5	1	IIBF	
COc1ccc(-c2nnc(-c3ccc4nc(CNc5ncccc5[N+](=O)[O-])[nH]c4c3)o2)cc1	587268827	LJPMWCUSXFLYQZ-UHFFFAOYSA-N	443.423	4.204	5	1	IIBF	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(F)(F)F	587382062	NASPRJJPBRYBHF-OAHLLOKOSA-N	426.347	4.142	5	1	IIBF	
O=[N+]([O-])c1cccc(CCc2nc3c(Br)cnc(Br)c3[nH]2)c1	587269931	JLSPNNCIHRMNIF-UHFFFAOYSA-N	426.068	4.176	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587568869	OHOZVNBGIFMLEJ-PGRDOPGGSA-N	425.368	4.325	5	1	IIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)n2ccc([C@H](O)c3ccc(Cl)cc3Cl)c2)cc1	29554820	ZIYVQGDEYNGNMF-KRWDZBQOSA-N	427.265	4.022	5	1	IIBF	
COc1cc2c(cc1OC)CN(CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2	1772620687	WFVGVXWSQSKGEL-UHFFFAOYSA-N	425.407	4.101	5	1	IIBF	
O=[N+]([O-])c1cnc(N[C@H](CO)Cc2ccccc2)nc1Nc1ccc(Cl)c(Cl)c1	64503553	HRBBCJQKUAHSIT-AWEZNQCLSA-N	434.283	4.451	5	1	IIBF	
CS(=O)(=O)NCCCNc1c2c3ccccc3nc-2oc2ccc(Br)cc12	95575377	XQAMWMNXUNFFGF-UHFFFAOYSA-N	448.342	4.200	5	1	IIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(=O)O)c(F)cc2[nH]1	587054071	ISHQCJKEBCLZPY-MRXNPFEDSA-N	434.811	4.089	5	1	IIBF	
CC(C)COc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br	587264660	HDKLFBLSAIECPE-ZDUSSCGKSA-N	449.305	4.217	5	1	IIBF	
Cc1cccc2c1cc(C(=O)NCc1cccc([N+](=O)[O-])c1)n2Cc1cccc(C(=N)N)c1	3831871	WTHMBUSTJLZMDE-UHFFFAOYSA-N	441.491	4.120	5	1	IIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(COc4cc(F)ccc4[N+](=O)[O-])o1)[C@@H](C2)C3=O	587430059	ZGVJEHLDZIOHBT-OYHNWAKOSA-N	425.368	4.403	5	1	IIBF	
O=C1c2ccccc2Nc2ccccc2N1Cc1cn(Cc2cccc([N+](=O)[O-])c2)nn1	653807595	WPNXOFYHYZPMFX-UHFFFAOYSA-N	426.436	4.139	5	1	IIBF	
Cc1ccc2ncc3c(=O)n(CCCN4CCN(c5cccc(Cl)c5)CC4)cnc3c2c1	72120544	ICXRCNKWWGBUMT-UHFFFAOYSA-N	447.970	4.119	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2	72124536	MLQLMMRWJWWLBY-KRWDZBQOSA-N	448.401	4.283	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cccc([N+](=O)[O-])c2)N1	587748217	STWDRWXJMSWEMP-RTJDVGLLSA-N	434.309	4.350	5	1	IIBF	
O=C1CCC(=O)N1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	13587486	JANZXFNVGRNHEL-JOCHJYFZSA-N	445.475	4.186	5	1	IIBF	
NCCCCCCNS(=O)(=O)c1ccc(N=c2c3ccccc3[nH]c3ccccc23)cc1	26577961	IAZPXBSMKXCFDL-UHFFFAOYSA-N	448.592	4.351	5	1	IIBF	
CCOc1cc([C@@H]2NC(=O)N=C(c3cccnc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O	169702722	JHVSIYWXTWMWDN-HKUYNNGSSA-N	438.465	4.193	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@@H](C)[C@H](OC)[C@@H](C)/C=C/CC(=O)OC	8019110	ODXWPZBXBHPTPI-KNLGJPHDSA-N	439.505	4.096	5	1	IIBF	
CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2ccc([N+](=O)[O-])cc2c1=O	84687228	JQHHQHCVCSMNRK-UHFFFAOYSA-N	440.389	4.087	5	1	IIBF	
CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C(F)(F)C1	587133193	ZTXXTSSZKJRTJO-VIFPVBQESA-N	447.236	4.203	5	1	IIBF	
N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1	587118949	SIBRONHMTJMBAR-KRWDZBQOSA-N	445.361	4.125	5	1	IIBF	
C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1cc([N+](=O)[O-])cn1	1772615617	OINGRVYZOUPCBK-UZNJFETESA-N	429.561	4.380	5	1	IIBF	
CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-]	40565423	QCGQJKBZPXLHEG-UHFFFAOYSA-N	440.453	4.069	5	1	IIBF	
O=[N+]([O-])c1cnn(C[C@@]2(c3ccccc3)NC3(CC3)Cc3ccc(Br)cc32)c1	961617724	VSLZSVHJBVHBGL-NRFANRHFSA-N	439.313	4.176	5	1	IIBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12	587168728	NXQJEXMVMNBUQC-UHFFFAOYSA-N	443.236	4.498	5	1	IIBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)cc1C	35902116	AUEYPIRVTQOLKH-UHFFFAOYSA-N	434.518	4.133	5	1	IIBF	
C[C@@H]1CN(c2nnc(Cc3ccccc3)c3ccccc23)CCN1c1ccc([N+](=O)[O-])cn1	169354058	WFUOZCUKLBHMOW-GOSISDBHSA-N	440.507	4.239	5	1	IIBF	
COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1OCC(=O)NC(C)C	587220818	GLKLBURTKNSREG-UHFFFAOYSA-N	441.491	4.238	5	1	IIBF	
Cc1c([N+](=O)[O-])cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-]	587662323	ZNIBIMGXRBUHOB-UHFFFAOYSA-N	448.366	4.016	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc([N+](=O)[O-])cc2)N1	587746449	JZKAPRLTIXJNDO-BKNWUEFHSA-N	434.309	4.350	5	1	IIBF	
CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)CC	4213403	KXTMJESCNYTIEP-CCKFTAQKSA-N	425.913	4.149	5	1	IIBF	
C[C@@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587576142	MSLWPPULACDLLS-URXFXBBRSA-N	449.415	4.154	5	1	IIBF	
O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cc4cnccc4c(Br)n3)c2O)cc1	587941573	QBTCMTMWOILDSZ-UHFFFAOYSA-N	427.214	4.169	5	1	IIBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(Br)cnc(Br)c2[nH]1	587159292	PAGOUMWCRUGWJI-UHFFFAOYSA-N	446.030	4.109	5	1	IIBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1	587274232	HPMAWTTXLAKUPV-UHFFFAOYSA-N	448.336	4.282	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1	587747988	RCHCENKJSVCDGR-ODXCJYRJSA-N	445.292	4.056	5	1	IIBF	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586974457	UODILTBPVQABGC-OAHLLOKOSA-N	449.330	4.344	5	1	IIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncc(Br)cc1[N+](=O)[O-]	587867181	UGAOPWZYVHIOEF-UHFFFAOYSA-N	444.167	4.027	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1	587750489	ICHJOZGNKCUKJT-ABKXIKBNSA-N	433.237	4.170	5	1	IIBF	
CCOC(=O)CN(Cc1ccccc1)c1nc(Nc2ccc(Cl)cc2)ncc1[N+](=O)[O-]	117524670	RJFSRSIGAJCRHH-UHFFFAOYSA-N	441.875	4.352	5	1	IIBF	
O=C1c2ccccc2[C@](OCC2(CO)CC2)(c2ccccc2)N1Cc1ccc([N+](=O)[O-])cc1	142435105	AYKWZUFNBYBYBG-AREMUKBSSA-N	444.487	4.241	5	1	IIBF	
CC(C)OC(=O)[C@@H]1C(C(C)C)=NC(=O)N(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	169730108	RWSBQRWSUJGFGX-SJLPKXTDSA-N	433.461	4.281	5	1	IIBF	
O=[N+]([O-])c1ccc2c(c1)OCCCN2S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1	1772597124	KLUPAXBSJMMAKQ-UHFFFAOYSA-N	441.465	4.105	5	1	IIBF	
COc1cc2c(cc1OCC1CCN(C)CC1)ncc1c(N)nc(-c3ccncc3)cc12	45259235	JHRBNIITDPSBMU-UHFFFAOYSA-N	429.524	4.156	5	1	IIBF	
CC(=O)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cn1	49045268	ZZJVLEKIFZKGHP-QDEBKDIKSA-N	443.419	4.098	5	1	IIBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC/C=C/c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	169723568	BTOSRYCUFZLVHX-FLIQFMKDSA-N	448.475	4.473	5	1	IIBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Cl)c2[nH]1	587263510	BBDMLDYWQOSPEN-NXSYQRQQSA-N	426.216	4.220	5	1	IIBF	
CCc1ccc(NC(=O)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1	653787746	QCYWVTHZJKMUOM-JOCHJYFZSA-N	437.456	4.228	5	1	IIBF	
COc1cc2c(cc1OC)[C@H](c1ccc(OC(F)(F)F)cc1[N+](=O)[O-])N(C)[C@@H](C)C2	962628180	OOZXYNOWCIBZEF-WLRWDXFRSA-N	426.391	4.476	5	1	IIBF	
COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cccc([N+](=O)[O-])c4C)[nH]c3c2)cc1	587262077	MNGBGERXMTZHQW-UHFFFAOYSA-N	438.465	4.256	5	1	IIBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	587274598	QMNRVWZSSKXFBU-SSDOTTSWSA-N	434.172	4.132	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1	587753892	WXYRHKFNKVFECU-LZVRBXCZSA-N	433.233	4.226	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1	587865969	RGNTZQRBSRXQEE-GFCCVEGCSA-N	437.378	4.049	5	1	IIBF	
CC(C)(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1	66252185	FURGQJOZEIGZAD-UHFFFAOYSA-N	428.363	4.191	5	1	IIBF	
O=[N+]([O-])c1ccc(CSc2nnnn2-c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1	95771663	IGDHAGSKYGMYLH-UHFFFAOYSA-N	427.229	4.078	5	1	IIBF	
Cc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c([N+](=O)[O-])c1	587652801	KTRKGPBPOVMERJ-UHFFFAOYSA-N	439.811	4.127	5	1	IIBF	
CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc2cnccc2c(Br)n1	587942270	UYAQTMYJIQYUBP-NSHDSACASA-N	435.278	4.318	5	1	IIBF	
Cc1n(Cc2c3c(cc4c2OCC4)OCC3)c2ccccc2[n+]1Cc1ccc([N+](=O)[O-])cc1	1772602377	BBFKPHDOPOBBGI-UHFFFAOYSA-N	442.495	4.112	5	1	IIBF	
c1ccc2c(NCc3cn(CCCN4CCOCC4)nn3)c3oc4ccccc4c3nc2c1	1772652573	YDFISNRUSWSPKM-UHFFFAOYSA-N	442.523	4.060	5	1	IIBF	
COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H](OC(C)=O)C(C)(C)O2	26834305	HASGNUDNTDDOTK-QFIPXVFZSA-N	431.488	4.499	5	1	IIBF	
CS(=O)(=O)c1cc(-c2nc3ccc(F)c(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl	586927138	SYFXQBBSDFLSHI-UHFFFAOYSA-N	448.657	4.097	5	1	IIBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1	586974908	XVCQDAPAYFABAC-UHFFFAOYSA-N	434.543	4.137	5	1	IIBF	
C[N+](C)(CCNC(=O)c1cccc2cc3ccccc3nc12)Cc1ccc([N+](=O)[O-])cc1	5822622	UPKOHMNPHUSQIP-UHFFFAOYSA-O	429.500	4.303	5	1	IIBF	
COc1ccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2-c2ccc(OC)cc2)cc1	45228726	RNMYSHQNDWPDAY-MRXNPFEDSA-N	436.464	4.476	5	1	IIBF	
CCOc1cc(C2=NC(=O)N[C@H](c3cccnc3)[C@@H]2c2ccsc2)cc([N+](=O)[O-])c1O	169702739	CKPKDXIVCGGHEH-ZWKOTPCHSA-N	438.465	4.193	5	1	IIBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(Br)ccc(Br)c2[nH]1	587267091	FJRJIVYFBOPMLK-SSDOTTSWSA-N	429.072	4.110	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3cn[nH]c3cc2[nH]1	586949198	UXQPOXPEQBHCLN-UHFFFAOYSA-N	448.464	4.124	5	1	IIBF	
C[C@]1(Cc2c([N+](=O)[O-])ccc(O)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587554231	CMNBFWNNQXJJBH-XMSQKQJNSA-N	425.368	4.108	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2	72123521	MAABYWNBHKMKNT-IMLGJKEDSA-N	446.385	4.363	5	1	IIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	587747400	NPRVHCQWWADHLE-VVVCHXIZSA-N	425.254	4.137	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN[C@@H](c3ccccc3)C2)cc1	31905900	WUABNKVQCNQNHX-HXUWFJFHSA-N	436.493	4.143	5	1	IIBF	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2c1[C@@H]1c3c(ccc4c(C)cc(=O)oc34)OC[C@@H]1CO2	95589645	WOUUJPFYHRCKME-SPLOXXLWSA-N	445.431	4.037	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncc(Br)cc2[N+](=O)[O-])N1	587687615	VQOGADPSHBJGFI-KWKYVRJSSA-N	445.086	4.278	5	1	IIBF	
Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1C=O	586968724	VEZYCFPUNHKHEP-UHFFFAOYSA-N	442.888	4.178	5	1	IIBF	
N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1	586997825	VWUAFBQCPQFPIL-LLVKDONJSA-N	440.095	4.239	5	1	IIBF	
COc1ccc2c(c1OC)[C@@](Cc1ccc([N+](=O)[O-])cc1)(c1cccnc1)N(C)[C@@H](C)C2	962641252	ZNCORZHAXVQRPA-SSOJOUAXSA-N	433.508	4.370	5	1	IIBF	
O=c1c([C@H](Nc2ccccc2[N+](=O)[O-])c2nnnn2C2CCCCC2)coc2ccccc12	103267732	AESZMXNIHRYYAO-NRFANRHFSA-N	446.467	4.394	5	1	IIBF	
NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4cccc([N+](=O)[O-])c4)cccc3c2)c1	299839059	XDLNITCMISPVNF-UHFFFAOYSA-N	428.404	4.287	5	1	IIBF	
Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Cl	586964194	YBHGZLNHKKBDDO-UHFFFAOYSA-N	442.888	4.256	5	1	IIBF	
O=[N+]([O-])c1c(Br)ccc2nc(-c3nc(Cl)cnc3Br)[nH]c12	587005181	AWSXWOIMJCPVDX-UHFFFAOYSA-N	433.447	4.107	5	1	IIBF	
COc1cc2c(cc1OC)CN(CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2	1772653649	KSYRLJMOCSMZPY-UHFFFAOYSA-N	439.434	4.491	5	1	IIBF	
Cc1c(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cccc1[N+](=O)[O-]	20104878	WXEBTGQNONALKL-PKTZIBPZSA-N	427.460	4.379	5	1	IIBF	
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(CNc2nccc(-c3cccnc3)n2)cc1	95808149	QGTZRWKBHXQJEM-UHFFFAOYSA-N	426.436	4.311	5	1	IIBF	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586974454	UODILTBPVQABGC-HNNXBMFYSA-N	449.330	4.344	5	1	IIBF	
CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2C1	587034572	PANIFLYEZSESGE-UHFFFAOYSA-N	445.457	4.401	5	1	IIBF	
CCOC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587575888	LENBRZNMVGPUTK-XUZZJYLKSA-N	449.415	4.111	5	1	IIBF	
O=[N+]([O-])c1cnn(C[C@]2(c3ccccc3)NC3(CC3)Cc3ccc(Br)cc32)c1	961617736	VSLZSVHJBVHBGL-OAQYLSRUSA-N	439.313	4.176	5	1	IIBF	
COC(=O)c1ccc(Oc2ccc3nc(Cc4c([N+](=O)[O-])cnn4C(C)C)[nH]c3c2)cc1	587268287	PFZBKBQSQHILHN-UHFFFAOYSA-N	435.440	4.418	5	1	IIBF	
COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587742892	BNQKUYBRQSTDNP-YYSFKGJASA-N	425.254	4.008	5	1	IIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCC[N+](C)(C)C)[C@H]1c1ccccc1C(F)(F)F	27206045	RVAIAUUNPHNKKA-IBGZPJMESA-O	441.470	4.203	5	1	IIBF	
O=C(NCc1ccccc1Cl)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	82135770	IPLTVDOKOHFGQI-UHFFFAOYSA-N	437.887	4.235	5	1	IIBF	
CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	82149384	CUSUCAWSYTZPQX-ROUUACIJSA-N	437.544	4.406	5	1	IIBF	
CC[C@@H](C)Nc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccc([N+](=O)[O-])cc2)n1	82159828	LCUQDNMHQZBDRO-MRXNPFEDSA-N	449.511	4.243	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncc(Br)cc2[N+](=O)[O-])N1	587683623	OEEVPJMGMWQFOL-NXSYQRQQSA-N	445.086	4.278	5	1	IIBF	
CCN1c2ncc(COc3cccc([N+](=O)[O-])c3)cc2C(=O)N(C)c2ccc(Cl)nc21	13780567	RAEHLIVJXCOVLZ-UHFFFAOYSA-N	439.859	4.365	5	1	IIBF	
Cc1cccc(NCc2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2)c1	28571449	KJLPGZUJHBHLBZ-UHFFFAOYSA-N	432.893	4.018	5	1	IIBF	
CCOC(=O)c1ccc([C@]2(c3cccc([N+](=O)[O-])c3)NCCc3c2c(C(C)C)nn3C)cc1	962924183	WBXISIMGXZGYCM-RUZDIDTESA-N	448.523	4.066	5	1	IIBF	
O=C1c2ccccc2Nc2ccccc2N1Cc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1	653807571	RBTLETQAAVLDLV-UHFFFAOYSA-N	426.436	4.139	5	1	IIBF	
COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4[nH]1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O	587434087	QXVWPRSTNZQBMG-BVZFJXPGSA-N	441.443	4.365	5	1	IIBF	
COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@@H](C)C(=O)O	587511451	GQRZDXRHAOOVCX-HXPMCKFVSA-N	441.436	4.041	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](CC)n1cc([N+](=O)[O-])cn1	587866376	ZHJAFXQHARTQQJ-MRXNPFEDSA-N	437.378	4.364	5	1	IIBF	
COC[C@H](C)Oc1cc(/C=C/c2ccccc2[N+](=O)[O-])cc(C(=O)Nc2ccn(C)n2)c1	95596842	KXQZMOPANWQHEO-FDMDGMSGSA-N	436.468	4.165	5	1	IIBF	
COc1cc2c(ccc3c(CC[N+](C)(C)C)c(Br)c(O)c(OC)c32)cc1O	103169960	DVUHDMJCZXLZGI-UHFFFAOYSA-O	435.338	4.433	5	1	IIBF	
COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1Cl)c1cccc([N+](=O)[O-])c1	103219724	OXUFDYNEEGIHDK-QGZVFWFLSA-N	447.739	4.494	5	1	IIBF	
CC[C@H](C)CCC[C@H](O)[C@@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12	169293188	BNLCCYULJSGXCA-JHVJFLLYSA-N	438.524	4.404	5	1	IIBF	
Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)NCc3ccccc3Br)cc12	653781721	RDRHSWAZLFORIL-UHFFFAOYSA-N	439.265	4.020	5	1	IIBF	
O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21	43067328	WXIPHGJGJFDRNH-AUSLDBMVSA-N	440.563	4.298	5	1	IIBF	
CN(C(=O)Cc1ccc(C(F)(F)F)cc1)[C@H](CN1CCCC1)c1cccc([N+](=O)[O-])c1	28367991	LOWHYEVMLNYNLM-HXUWFJFHSA-N	435.446	4.452	5	1	IIBF	
O=C(NCCc1c[nH]c2ccccc12)c1cccn2c(=O)c3cc4ccccc4cc3nc12	2957461	MEAJDCQREQYNNH-UHFFFAOYSA-N	432.483	4.455	5	1	IIBF	
COc1ccc(CCn2c(=O)c3ccccc3c3nc4ccc(-n5ccnc5)cn4c32)cc1	103232339	XGXXRQSIWYVFMW-UHFFFAOYSA-N	435.487	4.239	5	1	IIBF	
O=[N+]([O-])c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1[N+](=O)[O-]	587001130	LKIOYGVBANVGQA-UPHRSURJSA-N	447.201	4.083	5	1	IIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cc([N+](=O)[O-])c(C)n1	587860493	VHMJEXHWZHKJEX-UHFFFAOYSA-N	438.271	4.399	5	1	IIBF	
O=[N+]([O-])c1ccc2nc(-c3ccccc3NS(=O)(=O)c3c(F)cccc3F)[nH]c2c1	1772584421	LQEYZTHDVTVFMZ-UHFFFAOYSA-N	430.392	4.217	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OC(F)(F)F)cc3)c1)C2	45300301	OEYWFXWLSMJVOD-KRWDZBQOSA-N	435.358	4.335	5	1	IIBF	
O=[N+]([O-])c1cccc(OCc2nc3c(OCCCNCc4cccnc4)cccc3o2)c1	64532165	JYCZWBBLXIQIRT-UHFFFAOYSA-N	434.452	4.269	5	1	IIBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12	587007447	YGVVRVPPIJKTHD-UHFFFAOYSA-N	437.051	4.311	5	1	IIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	587863215	VGZYTXBFDOOTGP-UHFFFAOYSA-N	436.302	4.082	5	1	IIBF	
COc1cc2c(cc1OC)[C@](C)(c1cc(N3CCCC3)ccc1[N+](=O)[O-])N(C)[C@H](C)C2	962632613	PCWYNORMSIHRKO-VOIUYBSRSA-N	425.529	4.352	5	1	IIBF	
COc1cc2c(=O)n(CCCN(C)C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5	1857630547	BWPPWIQXEJUECV-UHFFFAOYSA-N	434.492	4.006	5	1	IIBF	
O=S(=O)(NCCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(Cl)nc1	586943194	XQNGEUHQTHKQSP-UHFFFAOYSA-N	436.924	4.439	5	1	IIBF	
O=[N+]([O-])c1cc(Br)cc2nc(C(F)(Br)Br)[nH]c12	587087762	GQIZPTKWHZVZBM-UHFFFAOYSA-N	431.841	4.103	5	1	IIBF	
CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1	82135021	DKNDFRVZZXFXJU-NLCWTHGUSA-N	437.544	4.308	5	1	IIBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	587267669	OSZISBFMRKCODG-ZETCQYMHSA-N	434.172	4.246	5	1	IIBF	
Cn1cnnc1Sc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1[N+](=O)[O-]	963107955	MKEPRYHUDQZDRM-KRWDZBQOSA-N	436.324	4.416	5	1	IIBF	
Cc1cc(Br)cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12	586925233	GBSSYIYKSRWBQY-UHFFFAOYSA-N	444.694	4.266	5	1	IIBF	
COc1ccc2c(c1OC)[C@H](c1ccc(C)c([N+](=O)[O-])c1)N(C(=O)c1ccccc1N)CC2	963141442	OGNAZFSMXCEDPD-QHCPKHFHSA-N	447.491	4.291	5	1	IIBF	
CCOC(=O)c1cc2ccc(Cl)cc2n1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	3654317	TYEIRILSGRRVJG-UHFFFAOYSA-N	443.264	4.270	5	1	IIBF	
CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(Br)cc1	586985146	KPVDJUVVANOKHL-CYBMUJFWSA-N	437.681	4.307	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)N1	587748792	WMUBJPUHKQXGHK-XPTSAGLGSA-N	425.302	4.151	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149638	PNYFITHHBYDCPY-CALCHBBNSA-N	425.533	4.262	5	1	IIBF	
CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1	587265738	SIGYMWKCYVJNPO-UHFFFAOYSA-N	440.481	4.477	5	1	IIBF	
COc1ccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2[N+](=O)[O-])cc1OC	29482046	KERAUCXAQKBREZ-UHFFFAOYSA-N	435.480	4.427	5	1	IIBF	
C[C@@H](Nc1ncnc2[nH]c(-c3ccc(OCCCC(=O)NO)cc3)cc12)c1ccccc1	138883736	NQJNYUNDDOUISQ-MRXNPFEDSA-N	431.496	4.462	5	1	IIBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	587273280	GLJQUVAOTPUCEL-ZETCQYMHSA-N	434.172	4.132	5	1	IIBF	
COc1c(O)cc2oc3cc(O)c(C/C=C(/C)CO)c(O)c3c(=O)c2c1CC=C(C)C	34655421	RKFDQABSSOQDOZ-MLPAPPSSSA-N	426.465	4.061	5	1	IIBF	
Cc1ccc(CNc2ncc(C(=O)N3CCC(C)CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1	82149647	PFSRGYQGQZNKRN-UHFFFAOYSA-N	435.484	4.437	5	1	IIBF	
Cc1ccc(NC(=O)NCCn2c(-c3ccccc3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1	103166634	QCJKBUGBTMOAJI-UHFFFAOYSA-N	443.463	4.102	5	1	IIBF	
O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	1857564302	IDVJVALZCBHNHO-OKILXGFUSA-N	446.376	4.155	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2cccc([N+](=O)[O-])c2)n1	82134422	XPOFJPCRSMATDI-OXQOHEQNSA-N	425.533	4.453	5	1	IIBF	
COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1OC	587747888	SROTVXMILPTQDL-XYZCENFISA-N	425.254	4.137	5	1	IIBF	
CCOc1cc([C@H]2NC(=O)N=C(c3cccnc3)[C@H]2c2ccsc2)cc([N+](=O)[O-])c1O	169702725	JHVSIYWXTWMWDN-IEBWSBKVSA-N	438.465	4.193	5	1	IIBF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2ccc([N+](=O)[O-])cc2C(F)(F)F)N1	962964029	JENHGNKLQZYYDV-DOMZBBRYSA-N	436.720	4.234	5	1	IIBF	
COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c2c1C[C@H](O)C(C)(C)O2	49089743	GPNDGLHOWXPANW-IBGZPJMESA-N	440.492	4.252	5	1	IIBF	biogenic
COc1ccc([N+](=O)[O-])cc1[C@@H](O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2	586986407	AWWJUJIOJODSDL-NRFANRHFSA-N	442.427	4.345	5	1	IIBF	
CCO/C(O)=C1\C(C)=NC2=C([C@H]1c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc12	101759121	MSWDIZISCNFYAT-KOXKPCSVSA-N	426.450	4.115	5	1	IIBF	
O=C(O)c1cc2[nH]c([C@H]3CCOC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	586911170	FLFXWYZLXGNRPO-LBPRGKRZSA-N	442.427	4.349	5	1	IIBF	
COC(=O)c1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2c(F)c1Nc1ccccc1	587273675	JZQDLWBKVJTLEG-LBPRGKRZSA-N	438.419	4.141	5	1	IIBF	
O=C(O)c1cccc2c(N3C(=O)c4ccccc4C3=O)c(-c3ccccc3[N+](=O)[O-])[nH]c12	587637762	HZENXIMOEQIZLU-UHFFFAOYSA-N	427.372	4.242	5	1	IIBF	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586915098	APLQKUFVABPSBD-HXPMCKFVSA-N	430.258	4.450	5	1	IIBF	
N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586983979	LUTCTUBQDYZCSC-NSHDSACASA-N	440.095	4.239	5	1	IIBF	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2N1	587126661	LYSBRBOISHMWSA-KGFZYKRKSA-N	445.199	4.405	5	1	IIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	587747402	NPRVHCQWWADHLE-XLFHBGCDSA-N	425.254	4.137	5	1	IIBF	
O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587231385	QOLINSRMKCBCPJ-UHFFFAOYSA-N	435.415	4.499	5	1	IIBF	
CC[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12	962668635	OLTNBFLVRVBQQM-JWQCQUIFSA-N	444.491	4.377	5	1	IIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCCO3	587057448	WVJRWHXXMBSLLM-GOSISDBHSA-N	430.848	4.023	5	1	IIBF	
COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)n5ncc([N+](=O)[O-])c5C)[nH]c4c3)o2)cc1	587268271	ZNMVEAQQBJAIEG-CYBMUJFWSA-N	445.439	4.311	5	1	IIBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2cccc(F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723526	KMNDOCKUJXUOGX-TZIWHRDSSA-N	440.427	4.099	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	587754662	ZVIBKNVQZASFJQ-WYRIXSBYSA-N	436.281	4.275	5	1	IIBF	
CN(C)c1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963191224	YTESALVWJZHPPK-WBVHZDCISA-N	443.809	4.021	5	1	IIBF	
C[N+]1(CCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	34802155	NBVYRBDIADJELP-ZGAORZAOSA-O	442.583	4.253	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccncc3)c2c1	587620871	IPPASZZYZJSYNV-UHFFFAOYSA-N	438.465	4.256	5	1	IIBF	
NCC1CCC(CNc2nc(NCc3cc(Cl)ccc3Cl)ncc2[N+](=O)[O-])CC1	28898550	SUFSJERCNYBASZ-UHFFFAOYSA-N	439.347	4.481	5	1	IIBF	
COCCOc1cc2ncc3c(N)nc(-n4cnc(-c5ccccc5)c4)cc3c2cc1OC	45260642	ALSVKOSANKRYAG-UHFFFAOYSA-N	441.491	4.252	5	1	IIBF	
O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085210	HMZQXFTYHIHYDX-LJQANCHMSA-N	442.541	4.019	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1F	587139989	CHBFCGYSYUGEDP-UHFFFAOYSA-N	448.382	4.356	5	1	IIBF	
Nc1ncc(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1[N+](=O)[O-]	587268403	WEJSHLJKXRYZQS-UHFFFAOYSA-N	442.357	4.386	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(O)ccc([N+](=O)[O-])c21	587471256	PFCVPFFGHVALQO-VWLOTQADSA-N	445.427	4.412	5	1	IIBF	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1cccc([N+](=O)[O-])c1	587658433	QPEUSUSACRZFRS-UHFFFAOYSA-N	438.415	4.495	5	1	IIBF	
Cc1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-]	586961825	SZPMITQFHRAITN-ZRCAFCQKSA-N	440.525	4.474	5	1	IIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587265953	YNFUREIMUNPSGE-FKTZTGRPSA-N	434.212	4.005	5	1	IIBF	
O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	963198032	VBZXOTAXZLZKJA-ZBFHGGJFSA-N	439.777	4.437	5	1	IIBF	
O=C1NC(=O)/C(=C/c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Cl)cc2)S1	45388295	LEPQVGVZRNLEHU-SXGWCWSVSA-N	426.841	4.425	5	1	IIBF	
Cc1nn(Cc2ccccc2-c2nc3cc(Br)cnc3[nH]2)c(C)c1[N+](=O)[O-]	587266230	XMBNOALKGDWJPO-UHFFFAOYSA-N	427.262	4.157	5	1	IIBF	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccccc1[N+](=O)[O-]	587658241	MQFQVKSWLDBLEV-UHFFFAOYSA-N	438.415	4.495	5	1	IIBF	
C[C@H](OC(=O)Nc1nc(OCc2ccccc2)c2nc[nH]c2n1)c1ccc([N+](=O)[O-])cc1	73390224	SBGHBPWTRMPXSY-ZDUSSCGKSA-N	434.412	4.150	5	1	IIBF	
COCCNc1ncc2c(n1)c(Nc1ccc(F)c(Cl)c1)nc1cc(C(=O)O)ccc12	199791340	HDHHOXWCCWFSNK-UHFFFAOYSA-N	441.850	4.471	5	1	IIBF	
C[N+]1(C[C@H]2c3ccc(O)cc3CCN2C(=O)[C@H]2CC(=O)c3ccc(Cl)cc32)CCCC1	209477200	ZYRPWNDVFDXCNJ-GOTSBHOMSA-O	439.963	4.082	5	1	IIBF	
COC(=O)c1cccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	587053900	HKQOVQYXXQEUED-INIZCTEOSA-N	430.848	4.038	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	587754661	ZVIBKNVQZASFJQ-WLRWDXFRSA-N	436.281	4.275	5	1	IIBF	
O=[N+]([O-])c1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1	1857630417	OHWSDFQUNRBUKE-UHFFFAOYSA-N	445.351	4.498	5	1	IIBF	
O=C(NC(=S)Nc1nc2cc(Br)ccc2s1)c1ccc([N+](=O)[O-])cc1	49109953	NTLUTYSYPKHBKK-UHFFFAOYSA-N	437.300	4.094	5	1	IIBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12	96922653	YKHZHGCXZWDEDO-JXMROGBWSA-N	433.449	4.375	5	1	IIBF	
COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1OC	587744159	GIZLVFOMZMVJSO-VVVCHXIZSA-N	425.254	4.137	5	1	IIBF	
COc1c(O)cc2oc3cc(O)c(CC=C(C)CO)c(O)c3c(=O)c2c1CC=C(C)C	2356582644	RKFDQABSSOQDOZ-UHFFFAOYSA-N	426.465	4.061	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1F	587170647	SKOOVCKIVRTHKZ-UHFFFAOYSA-N	436.421	4.279	5	1	IIBF	
CCN(CC)CCOc1ccc2oc3ccc(OCCN(CC)CC)cc3c(=O)c2c1	82155360	KQAKFFRZQVRXPJ-UHFFFAOYSA-N	426.557	4.387	5	1	IIBF	
COC(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587055871	QZLRXSKMXPAUSF-QGZVFWFLSA-N	430.848	4.038	5	1	IIBF	
CN(C)/C=C\[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587573305	BAQUNDMUWKHAMK-WHQKUYTGSA-N	432.432	4.233	5	1	IIBF	
N=C(N)SCc1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1CSC(=N)N	84704063	MLKXBMSHRLAVQC-UHFFFAOYSA-N	425.923	4.294	5	1	IIBF	
O=C(Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1)Nc1ccccc1[N+](=O)[O-]	96167964	QJIFWMRYWNYVBK-UHFFFAOYSA-N	430.417	4.179	5	1	IIBF	
COc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc1OC	299835313	DFPFWXKSUKRQRM-IBGZPJMESA-N	425.444	4.169	5	1	IIBF	
O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1	587201904	DBNUSMVCLFJYHX-KRWDZBQOSA-N	441.447	4.102	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)c(C)nc2[nH]1	587262194	GAHBNUNGQYOENX-JTQLQIEISA-N	449.261	4.288	5	1	IIBF	
CN1CCc2c(Br)cccc2[C@]1(C)c1ncc([N+](=O)[O-])cc1Br	963282806	XVPICEXJIWTLDS-MRXNPFEDSA-N	441.123	4.266	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	587728881	UEMMZYICEKLBJM-DYBLOJMWSA-N	427.245	4.442	5	1	IIBF	
COc1ccc(Nc2ncnc3c2[C@@H](c2cccc([N+](=O)[O-])c2)c2c(n[nH]c2C)O3)cc1	1772609350	GQCQRUGFQGCFJY-SFHVURJKSA-N	430.424	4.454	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1	587748783	WKDRHXCCSBOISE-AOOQMHFFSA-N	435.249	4.024	5	1	IIBF	
COc1cc([C@@H]2Oc3c(cc4c(=O)c5ccccc5oc4c3OC)O[C@@H]2OC)ccc1O	2356514994	VLMUGXOFDSJCTM-RDPSFJRHSA-N	436.416	4.154	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587263062	JYGFPNBHFNKTCG-SECBINFHSA-N	434.792	4.384	5	1	IIBF	
COc1cc2c(cc1OC)[C@@H](c1ccc(OC(F)(F)F)cc1[N+](=O)[O-])N(C)[C@H](C)C2	962628177	OOZXYNOWCIBZEF-NSPYISDASA-N	426.391	4.476	5	1	IIBF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc([N+](=O)[O-])cc2C(F)(F)F)N1	962964048	JENHGNKLQZYYDV-IUODEOHRSA-N	436.720	4.234	5	1	IIBF	
C[N+]1(CCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	34802156	NBVYRBDIADJELP-KZQYXEPFSA-O	442.583	4.253	5	1	IIBF	
CC1(C)C[C@H]2[C@@H](CC[C@@]2(C)O)[C@]2(C)C[C@H]2[C@H]1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	40938227	MWHWKBGSBYCHGS-TWVDJZNCSA-N	432.473	4.262	5	1	IIBF	
O=C(Cc1ccccc1)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1	1857606721	VXJROJWYOXYHNB-HSZRJFAPSA-N	444.491	4.255	5	1	IIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	587054242	JCSBNWDCDXOJOE-LJQANCHMSA-N	441.875	4.136	5	1	IIBF	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)o1	587264613	IVFPPIPOOJVPTL-UHFFFAOYSA-N	428.408	4.457	5	1	IIBF	
COc1cc2c(cc1OC)C[N@+](C)(CCCCCCCc1cccc(OC)[n+]1C)CC2	299844656	OMSAJIKKMALDKQ-MUUNZHRXSA-N	428.617	4.233	5	1	IIBF	
Cc1cc(N(C)Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])cc1F	587136086	BESBPFYFAMYALT-UHFFFAOYSA-N	438.213	4.226	5	1	IIBF	
CC1=C(C(=O)OCC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC(C)C)=C(C)N1	49088385	XCXGABCFOYXYPS-UHFFFAOYSA-N	430.501	4.228	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc([N+](=O)[O-])cc2)N1	587746153	JHOGTDYJLVYMNP-XKYGYVCHSA-N	434.309	4.350	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NO[C@H](c3ccco3)C2)cc1	5579438	XMKNEKNCBQOPCV-IBGZPJMESA-N	427.438	4.163	5	1	IIBF	
COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1	587266215	XHPDAXYCHHMUAV-UHFFFAOYSA-N	439.859	4.440	5	1	IIBF	
CCOC(=O)c1ccccc1C(=O)OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1	1857553124	BTIBBTHKQXHYOC-UHFFFAOYSA-N	440.452	4.270	5	1	IIBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	587267476	KSRZGYZQRYVAOI-SSDOTTSWSA-N	434.172	4.246	5	1	IIBF	
O=C(c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1)n1nc2cc1Oc1ccc(F)cc1-2	587874419	ZQOPIFQTHHVWKJ-UHFFFAOYSA-N	439.790	4.290	5	1	IIBF	
O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)c([N+](=O)[O-])c1	1857577185	XVXNHWFEOPSZPM-RYUDHWBXSA-N	446.376	4.155	5	1	IIBF	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587661611	SIDFEEOWQZXULL-AWEZNQCLSA-N	433.395	4.219	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1	587750905	KKIWCHCSUMRJCD-RBZFPXEDSA-N	445.292	4.171	5	1	IIBF	
CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(NC(=O)CCCC(N)=O)cc21	28821300	GSWANXJGQRSHPV-UHFFFAOYSA-O	427.528	4.144	5	1	IIBF	
Cc1ccc(OC[C@@]2(C(C)(C)C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c([N+](=O)[O-])c1	963221840	FVXSMOIHJFXLAE-CJFMBICVSA-N	449.507	4.371	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1	587744694	FHEGVUUOGUPTLN-UGLGROFFSA-N	435.249	4.024	5	1	IIBF	
Cc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)o1	82163622	GMZNOTSOJNOCLO-UHFFFAOYSA-N	431.408	4.356	5	1	IIBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1	587119144	YUBFAZDADDGARZ-UHFFFAOYSA-N	427.346	4.140	5	1	IIBF	
O=C(O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1	587119437	WDWNYFVWAWDZCS-UHFFFAOYSA-N	431.330	4.100	5	1	IIBF	
COc1ccc(C(=O)OC[C@@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1	34801518	VQCSZIZZMFKKSC-LJQANCHMSA-N	438.358	4.168	5	1	IIBF	
O=[N+]([O-])c1cccc([S@@](=O)c2nc(-c3cnn4ccc(Br)cc34)cs2)c1	103299146	OMVNUIYYQUVZGF-SANMLTNESA-N	449.311	4.295	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3CCCCC3)c2c1	587621469	VLWDVUOTLMRXOS-UHFFFAOYSA-N	444.513	4.184	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2[N+](=O)[O-])N1	587683625	OEEVPJMGMWQFOL-UOWDBTKRSA-N	445.086	4.278	5	1	IIBF	
CCOC(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)c2cccc(Br)c2CCN1C	963281396	SFLARTMBPIVUGP-HXUWFJFHSA-N	433.302	4.042	5	1	IIBF	
O=C(O[C@@H]1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1	1857619021	ISYJFICEZXSCQP-NOQRGWLFSA-N	428.552	4.275	5	1	IIBF	
COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2OC)ccc1O	2356481225	IOXDNARANVBWEM-YKSBVNFPSA-N	436.416	4.154	5	1	IIBF	
O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1cccc([N+](=O)[O-])c1O	13761290	NQFVPOFMUFVABT-SNAWJCMRSA-N	436.207	4.439	5	1	IIBF	
CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2cccc([N+](=O)[O-])c2)C1	82135085	XMWRTAKFDYEJFG-DLBZAZTESA-N	441.532	4.151	5	1	IIBF	
O=C(c1ccncc1)n1nc(-c2cccc([N+](=O)[O-])c2)cc1-c1cc2ccccc2oc1=O	103187742	RLSITAOBYKRATH-UHFFFAOYSA-N	438.399	4.315	5	1	IIBF	
CCOC(=O)Nc1ccc(C(=O)NCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	587228105	FZBHIFUHTQWVOW-UHFFFAOYSA-N	440.463	4.158	5	1	IIBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Cl)c2[nH]1	587263512	BBDMLDYWQOSPEN-WJWGPLDTSA-N	426.216	4.220	5	1	IIBF	
Cc1nn(Cc2ccccc2-c2nc3c(F)cnc(Br)c3[nH]2)c(C)c1[N+](=O)[O-]	587267510	LJSMTTKDZUCOJS-UHFFFAOYSA-N	445.252	4.296	5	1	IIBF	
COc1ccc2c3ccc4c5c(cc6c4c3n(cc-2c1=NC(=O)c1ccccn1)CC6)OCO5	1857536878	WTKDXSXBGWOQJA-UHFFFAOYSA-N	449.466	4.329	5	1	IIBF	
CCCCn1c(=O)c2ccc(NCCN(C)C)cc2c2cnc3cc4c(cc3c21)OCO4	45484186	IFGUVRNUDALBOV-UHFFFAOYSA-N	432.524	4.205	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1	82135552	WFQZSRWURQXVGN-IRXDYDNUSA-N	425.533	4.262	5	1	IIBF	
O=c1[nH]cc(O)n1[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	169729288	VNWMNACEPLAUEU-OAQYLSRUSA-N	446.463	4.105	5	1	IIBF	
COC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c1	587139302	GUNROMTYULFLQK-UHFFFAOYSA-N	428.601	4.480	5	1	IIBF	
COC(=O)c1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1	587270438	XYGFGJQTJAYHFP-UHFFFAOYSA-N	445.273	4.287	5	1	IIBF	
O=C([C@H]1Cc2ccccc2[C@@H](c2cccn2Cc2ccccc2[N+](=O)[O-])N1)C(F)(F)F	962711535	MBKUDWPEBVVVHR-XLIONFOSSA-N	429.398	4.180	5	1	IIBF	
O=[N+]([O-])c1cc(CSc2nnnn2-c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1	169331572	ZAMWAIQELKLLGX-UHFFFAOYSA-N	427.229	4.078	5	1	IIBF	
O=[N+]([O-])c1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Cl	586951183	QEODUJVETVMCAF-UHFFFAOYSA-N	449.920	4.057	5	1	IIBF	
O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	587512137	UQQDTKAKGXRXOM-NRFANRHFSA-N	425.437	4.424	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1	587746304	JLYRHJXUYHYKLT-YUNKPMOVSA-N	445.292	4.056	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC	587747425	NTQDJSCOGKVDDA-APBUJDDRSA-N	439.281	4.311	5	1	IIBF	
O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCO1	103215597	QNRXPEFOWUDCHJ-SFHVURJKSA-N	440.562	4.480	5	1	IIBF	
COc1cc2oc3cc4c(c(O)c3c(=O)c2c(CC=C(C)C)c1OC)C[C@@H](C(C)(C)O)O4	14586277	ASLBIZLCWCSZGR-IBGZPJMESA-N	440.492	4.252	5	1	IIBF	biogenic
CC(C)CCOc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Br	587275093	UBMMADFCXAAHKK-UHFFFAOYSA-N	436.310	4.488	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccc([N+](=O)[O-])cc3c2=O)N1	587753893	WXYRHKFNKVFECU-NIVTXAMTSA-N	433.233	4.226	5	1	IIBF	
CCOc1cc(-n2c(OCC)cc([C@H](C)[N+](=O)[O-])c2OCC)c(Cl)cc1C(=O)O	587941387	ODXYLRZUNRQYHL-NSHDSACASA-N	426.853	4.363	5	1	IIBF	
O=C1C[C@@H](c2ccccc2Cl)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1	653737501	PAJIDPJJOHUYIK-PMOQBDJRSA-N	437.883	4.343	5	1	IIBF	
Cc1nnc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])c1-c1ccccc1	1772590187	YMEQRZAHOBFKGC-UHFFFAOYSA-N	427.530	4.360	5	1	IIBF	
COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)CO	2356403961	ZBHFFZYPOSZDDX-UHFFFAOYSA-N	440.492	4.364	5	1	IIBF	
C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C	82134769	RPJCCJDAHNHAGF-SLWXAUBPSA-N	449.555	4.453	5	1	IIBF	
CC(C)S(=O)(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1	586947978	IZAQFABVJYLSAW-UHFFFAOYSA-N	439.291	4.051	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2cccc([N+](=O)[O-])c2)N1	587744836	GBHYBZFOBZRJPF-WLRWDXFRSA-N	436.281	4.275	5	1	IIBF	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccc2c(Br)cccc12	169349258	HFEGXWPIACSBJG-UHFFFAOYSA-N	432.255	4.072	5	1	IIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1cc([N+](=O)[O-])cn1)c1ccccc1	587573321	BCXGFWZBJMPLRK-ZJSXRUAMSA-N	443.415	4.054	5	1	IIBF	
C[C@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577270	RMQGGFKLSNMPQF-NFBKMPQASA-N	434.404	4.050	5	1	IIBF	
COc1cc2c3c(c4cc(OC)c(OC)c(OC)c4c2cc1OC)[C@@H](O)[C@H]1CCCN1C3	85771782	NYKPXBAWFYIQBH-HXOBKFHXSA-N	439.508	4.047	5	1	IIBF	biogenic
O=S(=O)(CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc2c(c1)CCC2	586921865	HDKMPSPSQLJMRU-UHFFFAOYSA-N	428.517	4.164	5	1	IIBF	
Cc1nc(C(=O)NC2CCCCC2)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1	13478218	GEDNOIZSFNHONI-OAQYLSRUSA-N	428.514	4.462	5	3	IIBF	
O=C(OCc1ccccc1)[C@@H]1COC(c2ccc([N+](=O)[O-])cc2OCc2ccccc2)=N1	49793583	IJPVQSXOGJZBBJ-NRFANRHFSA-N	432.432	4.063	5	1	IIBF	
Cc1ccc(-c2c3cc(N)ccc3c3ccc(Nc4cc(C)[n+](C)c(N)n4)cc3[n+]2C)cc1	103271744	QBDZPNAHVITZAQ-UHFFFAOYSA-P	436.563	4.229	5	1	IIBF	
CC[C@@H]1Oc2c(ccc3c(=O)c4c(O)cc(O)cc4oc23)O[C@H]1c1ccc(O)c(OC)c1	2356500922	GTGMAIGXTZWZDI-AOMKIAJQSA-N	436.416	4.363	5	1	IIBF	
COc1ccc([N+](=O)[O-])cc1Cn1cc(CC(=O)O)c2ccc(-c3cc(N)cc(N)c3)cc21	98208268	TWAXPCWGTXLAOX-UHFFFAOYSA-N	446.463	4.065	5	1	IIBF	in-vitro
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1	587575714	KQIMOCUEPJMLQN-GBXCKJPGSA-N	443.415	4.404	5	1	IIBF	
CN1CCN(c2cnc3cc(C(F)(F)F)cc(OCc4cccc([N+](=O)[O-])c4)c3c2)CC1	71316523	PCIBWDPKOCEITO-UHFFFAOYSA-N	446.429	4.493	5	1	IIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1nc3ccccc3[nH]1)(c1cccc([N+](=O)[O-])c1)O2	587389689	NATUKGCUGCKFKN-DEOSSOPVSA-N	428.448	4.465	5	1	IIBF	
Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c1	13878853	PWXDLOAJQAKQJM-OAQYLSRUSA-N	438.528	4.303	5	3	IIBF	
O=C1C[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)CN1Cc1ccc(F)cc1F	587148082	FPEAYZLLYJCLHY-CQSZACIVSA-N	429.430	4.454	5	1	IIBF	
CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587572916	AHULPCKRBWIVKA-XUZZJYLKSA-N	449.415	4.111	5	1	IIBF	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1	1857773662	MIFUIAQKDBBXJO-KRWDZBQOSA-N	443.521	4.498	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(-c3ccc(C(F)(F)F)cn3)cc1)C2	72142638	WPKQVRJCTQJRFF-KRWDZBQOSA-N	448.401	4.283	5	1	IIBF	
O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1cccc([N+](=O)[O-])c1	586986834	FIBXYWCHMUXKJK-UHFFFAOYSA-N	425.400	4.241	5	1	IIBF	
COc1cc2ncc3c(N)nc(-c4cncc(OC[C@@H](N)CC(C)C)c4)cc3c2cc1OC	49069022	YPVWKNICBVIRFI-INIZCTEOSA-N	447.539	4.197	5	1	IIBF	
CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82134687	VZPBHPQZMYRHSL-IRXDYDNUSA-N	425.533	4.262	5	1	IIBF	
CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2cc([N+](=O)[O-])ccc2c1=O	84704993	BCJZWOVBNJYFJC-UHFFFAOYSA-N	440.389	4.087	5	1	IIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	587743929	CAETYWXGRXYUBV-YYSFKGJASA-N	425.254	4.137	5	1	IIBF	
O=C(CCC[n+]1ccccc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	96258307	IZZCMVUZYQICIU-UHFFFAOYSA-O	448.506	4.189	5	1	IIBF	
Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c5cccnc5c5ncccc5c4[nH]3)cc12	587037082	DKLHOAOSAPPIHQ-LBPRGKRZSA-N	441.520	4.407	5	1	IIBF	
Cc1onc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080440	VIQAHTGYLAKFGT-UHFFFAOYSA-N	426.742	4.352	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncc(Br)cc2[N+](=O)[O-])N1	587683627	OEEVPJMGMWQFOL-WJWGPLDTSA-N	445.086	4.278	5	1	IIBF	
C[N+]1(C[C@@H]2c3ccc(O)cc3CCN2C(=O)[C@@H]2CC(=O)c3ccc(Cl)cc32)CCCC1	209477103	ZYRPWNDVFDXCNJ-DHIUTWEWSA-O	439.963	4.082	5	1	IIBF	
O=c1[nH]cc(O)n1[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	169729287	VNWMNACEPLAUEU-NRFANRHFSA-N	446.463	4.105	5	1	IIBF	
COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cccc([N+](=O)[O-])c3[nH]1)C(=O)OC2	586915624	OZIRJTKYHXNQFR-KPKJPENVSA-N	437.452	4.286	5	1	IIBF	
C[C@@]1(CC(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587575929	LHWMNWMWXHHNBQ-OFNKIYASSA-N	434.404	4.050	5	1	IIBF	
CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)[C@H]3C(c4ccc([N+](=O)[O-])cc4)=NO[C@H]3C2=O)c1	102985263	FHGZDMHXJUYMNN-PZJWPPBQSA-N	449.507	4.482	5	1	IIBF	
O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCO1	103215614	MEKWBYSWMSPJDL-GOSISDBHSA-N	440.562	4.480	5	1	IIBF	
CN1C(=O)C[C@H]2CN[C@H](c3ccc(-c4ccc(C(=O)O)cc4)cc3[N+](=O)[O-])c3cccc1c32	963034171	QRHSAMMXGYXSOE-BXKMTCNYSA-N	443.459	4.103	5	1	IIBF	
O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1)n1ncc2ccc(Cl)cc2c1=O	587653532	XXFMCKZQWJWWDH-UHFFFAOYSA-N	435.823	4.226	5	1	IIBF	
O=C([C@H]1Cc2ccccc2[C@H](c2cccn2Cc2ccccc2[N+](=O)[O-])N1)C(F)(F)F	962711537	MBKUDWPEBVVVHR-YLJYHZDGSA-N	429.398	4.180	5	1	IIBF	
CCN(CC)c1ccc(-c2nn(-c3ncc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1	587667452	JMRXFVFEKVNPBH-UHFFFAOYSA-N	445.479	4.216	5	1	IIBF	
O=[N+]([O-])c1cncc2nc(-c3ccc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)[nH]c12	587172080	YORDKZMUCQVDOA-UHFFFAOYSA-N	447.835	4.126	5	1	IIBF	
COc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)nn1-c1ccccc1F	587157253	YTBKMBZJNVFDEP-UHFFFAOYSA-N	432.209	4.234	5	1	IIBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(Cl)c2[nH]1	587263509	BBDMLDYWQOSPEN-JKYUHCHBSA-N	426.216	4.220	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@H](c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-])CC2=O	587472880	NXRFBFZGWUYYNM-HXUWFJFHSA-N	429.425	4.203	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC	587575325	JCRNRBRFKJQARW-OFNKIYASSA-N	437.404	4.195	5	1	IIBF	
O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1cccc([N+](=O)[O-])c1	24237244	PMYVVYWZPIOOTK-UHFFFAOYSA-N	430.417	4.179	5	1	IIBF	
O=C(O[C@H]1C[N+]2(C/C=C/c3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1ccco1	113052610	YFGXVTSBNYARIS-XVJOYYOMSA-N	444.551	4.381	5	1	IIBF	
COc1ccc2c(c1OC)[C@](Cc1ccc([N+](=O)[O-])cc1)(c1cccnc1)N(C)[C@@H](C)C2	962641247	ZNCORZHAXVQRPA-GKVSMKOHSA-N	433.508	4.370	5	1	IIBF	
COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc([N+](=O)[O-])cc4)nc4sccn14)[C@@H](C2)C3=O	587451888	LIMPVTQOXZUOAP-YCRPNKLZSA-N	433.445	4.468	5	1	IIBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(c3ccccn3)CC2)c(F)c1	103245405	QEXQLLDDQVQNHR-IZZDOVSWSA-N	447.470	4.107	5	1	IIBF	
Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c5cccnc5c5ncccc5c4[nH]3)cc12	587037078	DKLHOAOSAPPIHQ-GFCCVEGCSA-N	441.520	4.407	5	1	IIBF	
O=C1C[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)CN1Cc1ccc(F)cc1F	587148312	HYYYYQTXZQJGLG-AWEZNQCLSA-N	429.430	4.454	5	1	IIBF	
Cc1cc(C)n2nc(S[C@H](C)c3nnc(SCc4ccc([N+](=O)[O-])cc4)o3)nc2n1	40917577	QGSCKEOIZHVKFI-GFCCVEGCSA-N	443.514	4.178	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1[N+](=O)[O-]	586922050	PISKVJADKGDVGZ-UHFFFAOYSA-N	438.421	4.020	5	1	IIBF	
O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccncc2)O[C@H]1c1c[nH]c2ccccc12	653737448	ZHTSFPWQKUCCTL-DUFUGNAASA-N	439.431	4.404	5	1	IIBF	
COc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1	586948099	DQLJTDYGDDIVMH-UHFFFAOYSA-N	438.465	4.256	5	1	IIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccc([N+](=O)[O-])cc1)CC2	587577473	SGVQNTXOMPFFCO-OAQYLSRUSA-N	432.432	4.301	5	1	IIBF	
CCCc1c2nc(C(=O)O)cc(C(F)(F)C(F)(F)F)c2cc2c(=O)cc(C(=O)O)oc12	29228486	NPQJHBJGHFAPRR-UHFFFAOYSA-N	445.296	4.344	5	1	IIBF	
O=C1c2ccccc2[C@@](OCC2(CO)CC2)(c2ccccc2)N1Cc1ccc([N+](=O)[O-])cc1	142434904	AYKWZUFNBYBYBG-SANMLTNESA-N	444.487	4.241	5	1	IIBF	
O=[N+]([O-])c1cccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12	587108037	GJOFOUBDQIJAKB-AWEZNQCLSA-N	440.403	4.016	5	1	IIBF	
COc1ccc(-c2c(N)n(-c3cc(OC)cc(OC)c3)c(=O)c3cc([N+](=O)[O-])ccc23)cc1	1653324	JRUNGKHANWHDCH-UHFFFAOYSA-N	447.447	4.174	5	1	IIBF	
O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSc4ccc(F)cc4)cc3c(=O)c2c1	169321919	TZWAVHUUZDAXTK-OAHLLOKOSA-N	440.448	4.316	5	1	IIBF	
O=[N+]([O-])c1cccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c12	587108039	GJOFOUBDQIJAKB-CQSZACIVSA-N	440.403	4.016	5	1	IIBF	
COC[C@H](C)Oc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc(C(=O)Nc2ccn(C)n2)c1	95594676	FLTYOOHTOGXMOU-APHBUQMISA-N	436.468	4.165	5	1	IIBF	
COCCNc1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1[N+](=O)[O-]	587262116	ONODJQVGMTUMCJ-UHFFFAOYSA-N	431.321	4.246	5	1	IIBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	587265810	RJZFCAIKEHEMCD-VIFPVBQESA-N	445.195	4.201	5	1	IIBF	
COc1cc2c3c(c1)O[C@@](CC(=O)Nc1ccccc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O	587432702	KXINQCJPGHYENG-CPJSRVTESA-N	444.443	4.275	5	1	IIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C	587240052	QBHFXKCWIJVAFB-VQDICGIKSA-N	434.468	4.165	5	1	IIBF	
COc1ccc([N+](=O)[O-])cc1-n1cccc1[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21	962772444	WIQZOCXFUSLSPD-JXFKEZNVSA-N	445.397	4.129	5	1	IIBF	
O=[N+]([O-])c1cc(-n2nnnc2SCc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1	1772619302	NELCWLOBZYSNBI-UHFFFAOYSA-N	427.229	4.078	5	1	IIBF	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586915097	APLQKUFVABPSBD-CWTRNNRKSA-N	430.258	4.450	5	1	IIBF	
COc1ccccc1C1=NN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H](c2ccc([N+](=O)[O-])cc2)C1	653729354	XSROIVXHCOVHTQ-KRWDZBQOSA-N	436.380	4.096	5	1	IIBF	
CCN(C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1	82150370	MNMNJSGWDMVHTL-UHFFFAOYSA-N	439.903	4.452	5	1	IIBF	
O=[N+]([O-])c1cccnc1NCc1nc2cc(Br)c(Br)cc2[nH]1	587268351	SOHVMKAQZRKERI-UHFFFAOYSA-N	427.056	4.003	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c1)CC2=O	587471223	OXBYDMOLDXXNMO-QFIPXVFZSA-N	437.452	4.213	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2cccc([N+](=O)[O-])c2)N1	587748580	VSVSYVWIWAAFSB-WLRWDXFRSA-N	436.281	4.275	5	1	IIBF	
CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCC(C)(C)CO	4273948	RWHJDRBLOISBEM-MOPGFXCFSA-N	439.940	4.397	5	1	IIBF	
O=C(O)Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-]	49589365	SCXNWFNFMCZTGS-UHFFFAOYSA-N	432.128	4.137	5	1	IIBF	
CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc([N+](=O)[O-])c5)cc34)cn2)CC1	96274088	IHXGKMUEVBBWBZ-UHFFFAOYSA-N	446.467	4.032	5	1	IIBF	
COC(=O)[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2c(OC)c(OC)ccc12	26821791	WJKGYOIXXYWTDD-NRFANRHFSA-N	431.444	4.439	5	1	IIBF	
O=c1c(/C=C(/c2ccc([N+](=O)[O-])cc2)c2nnn[nH]2)coc2c(Cl)cc(Cl)cc12	40975558	ITFNXFGVTDLVHN-ACAGNQJTSA-N	430.207	4.110	5	1	IIBF	
COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	103219712	KUBFTOVMFGRMGD-KRWDZBQOSA-N	429.749	4.355	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2	115609418	DLBVAKLECIGBHD-CYBMUJFWSA-N	435.358	4.445	5	1	IIBF	
NC(=O)c1cc(N2CCC(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)ccc1[N+](=O)[O-]	587263315	RJGLGISZYVRQHJ-UHFFFAOYSA-N	434.283	4.261	5	1	IIBF	
O=C(Cc1ccccc1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1	1857610133	ZYGOJUVPOLZRCT-QHCPKHFHSA-N	444.491	4.255	5	1	IIBF	
Cc1c(F)ccc2c1[C@@](c1ccc([N+](=O)[O-])o1)(c1c(C)c(C=O)c3ccccn13)NCC2	962094502	TTXRMWIDYXJCGG-DEOSSOPVSA-N	433.439	4.447	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(OC(F)(F)F)c3)cc1)C2	45256904	TZMREZHPKGFSAL-KRWDZBQOSA-N	435.358	4.335	5	1	IIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3cccc(OC(F)(F)F)c3)c1)C2	45260849	HXOIXDBXQQKNJD-KRWDZBQOSA-N	435.358	4.335	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	587262991	IZWBCCKWMKMENI-SSDOTTSWSA-N	427.310	4.379	5	1	IIBF	
O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1	1857591983	QGACZOPMYZXVSJ-ROTRRZJSSA-N	442.579	4.317	5	1	IIBF	
COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586918381	XTXXPHOLTNFJGX-BFUOFWGJSA-N	430.258	4.450	5	1	IIBF	
NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1	15937492	CRZZTLGWKFRALH-OAQYLSRUSA-N	438.528	4.466	5	3	IIBF	
COc1cccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccccc3[N+](=O)[O-])cc2)c1	96167994	AJLABLIEAGZJBY-UHFFFAOYSA-N	442.453	4.048	5	1	IIBF	
CCOc1cc(-n2c(OCC)cc([C@@H](C)[N+](=O)[O-])c2OCC)c(Cl)cc1C(=O)O	587941385	ODXYLRZUNRQYHL-LLVKDONJSA-N	426.853	4.363	5	1	IIBF	
CC[C@@H](C)NC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1cccc([N+](=O)[O-])c1	82135874	XUTSCIZSGCSHBH-MRXNPFEDSA-N	449.511	4.243	5	1	IIBF	
N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587258985	CBCONCUMVCMGKH-KRWDZBQOSA-N	440.507	4.366	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc([N+](=O)[O-])cc2)N1	587746455	JZKAPRLTIXJNDO-YOKYIZADSA-N	434.309	4.350	5	1	IIBF	
O=C(NCc1ccccc1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1	96939880	JGKZBJZGHAGOHF-UHFFFAOYSA-N	447.403	4.383	5	1	IIBF	
FC(F)(F)c1ccc(-c2nnn(Cc3nc4c5cccnc5c5ncccc5c4[nH]3)n2)cc1	587114179	PNCSCGSJEWMDTP-UHFFFAOYSA-N	446.396	4.380	5	1	IIBF	
O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1N=C(c2ccncc2)O[C@H]1c1c[nH]c2ccccc12	653719110	RYZNCZPMWNIWTQ-HMLKYZKVSA-N	439.431	4.404	5	1	IIBF	
COc1cc2c(cc1OC)[C@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])N(C)[C@@H](C)C2	962635757	MICWPWGSNKYOFI-XMHCIUCPSA-N	447.919	4.386	5	1	IIBF	
COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)ssc2=O)cc1[N+](=O)[O-]	1772644844	BOZVOKZAYUQRPF-UHFFFAOYSA-N	435.479	4.446	5	1	IIBF	
Cc1cc(N(C)Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])cc1F	587137019	OVXCEEKYRNAMGP-UHFFFAOYSA-N	438.213	4.226	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cccc([N+](=O)[O-])c2)N1	587748579	VSVSYVWIWAAFSB-NSPYISDASA-N	436.281	4.275	5	1	IIBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C)c(C)c1	40565784	MSFFPIVFWATNKZ-UHFFFAOYSA-N	434.518	4.133	5	1	IIBF	
COc1ccccc1-c1nnc2c3c(sc4c(Br)cccc43)c(NN)nn12	103172087	QEKJYWIEQOIFQK-UHFFFAOYSA-N	441.314	4.216	5	1	IIBF	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2N1	587126664	LYSBRBOISHMWSA-UPONEAKYSA-N	445.199	4.405	5	1	IIBF	
COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O	587507914	DELLHBFRNUKBSE-HXPMCKFVSA-N	441.436	4.041	5	1	IIBF	
CCCCC/C=C\CCC(=O)N[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)CC(C)C	26749792	PNDFEJQLAHUEBI-DUQGCJEPSA-O	435.566	4.274	5	1	IIBF	
COCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C(C)C	2356839909	PUVPNARXDYRJBU-IRFCIJBXSA-N	428.533	4.278	5	1	IIBF	
O=C(CCOc1cccnc1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	96258314	BFWQUXMAEQESNE-UHFFFAOYSA-N	449.470	4.285	5	1	IIBF	
CC(C)n1nc(C(=O)NCC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21	6717470	FWCCAIJRQHYBFE-UHFFFAOYSA-N	449.555	4.210	5	1	IIBF	
COC(=O)c1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c(F)c1Nc1ccccc1	587266907	CINBVDKAARUOGC-LBPRGKRZSA-N	438.419	4.255	5	1	IIBF	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncc(Br)cc1[N+](=O)[O-]	587656184	CQMYBLQQNLWMAC-UHFFFAOYSA-N	441.216	4.258	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1	587719791	QQNJZJNSZHKXJH-LZVRBXCZSA-N	427.245	4.333	5	1	IIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)cc(F)c3[nH]2)CC1	587270169	RFGHZGOKZBUWQO-UHFFFAOYSA-N	447.264	4.393	5	1	IIBF	
CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1Cl	26577385	UUWBLIXLGUCSAG-FQZGENGWSA-N	427.866	4.313	5	1	IIBF	
COc1ccc(-c2c[nH]nc2-[c-]2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2=O)cc1OC	169691228	YCDZNKRTQIOJSX-UHFFFAOYSA-N	446.439	4.327	5	1	IIBF	
O=[N+]([O-])c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c1	587140921	JGPJDUHRRLMITB-UHFFFAOYSA-N	430.392	4.217	5	1	IIBF	
CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1C	587166418	ZDPYQKRLDWYCCA-UHFFFAOYSA-N	437.431	4.202	5	1	IIBF	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12	587623311	PYKLZQLLTZWENA-UHFFFAOYSA-N	444.245	4.284	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	587728885	UEMMZYICEKLBJM-NIVTXAMTSA-N	427.245	4.442	5	1	IIBF	
Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NS(=O)(=O)C(F)(F)F	1857615696	BWAKVPOFYHEQKK-UHFFFAOYSA-N	437.783	4.070	5	1	IIBF	
O=[N+]([O-])c1cccc(-c2cc(-c3ccncc3)nc(N3CCN(c4ccccc4)CC3)n2)c1	28465171	ANNBWDQDNTVSBG-UHFFFAOYSA-N	438.491	4.440	5	1	IIBF	
COc1ccc(CN2CCN([C@H](c3ccc([N+](=O)[O-])cc3)[C@@H](O)c3ccccc3)CC2)cc1	169325020	SZEKWFSMNFHTRK-FTJBHMTQSA-N	447.535	4.196	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1[N+](=O)[O-]	587116146	PTKOOVKAMAZSKL-UHFFFAOYSA-N	432.112	4.223	5	1	IIBF	
Cc1ccc(Cn2c(=O)c(C(=O)NCCc3ccccc3)cc3c([N+](=O)[O-])cccc32)cc1	1772588410	NWPOLYJRXWFHDE-UHFFFAOYSA-N	441.487	4.239	5	1	IIBF	
Cc1cccnc1[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21	962732191	XZVWSJWTBQJKQB-SIKLNZKXSA-N	441.409	4.236	5	1	IIBF	
O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	963198024	VBZXOTAXZLZKJA-GDBMZVCRSA-N	439.777	4.437	5	1	IIBF	
CCCCNC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccc([N+](=O)[O-])cc1	82148014	LSIIQGYHDZHLPN-UHFFFAOYSA-N	449.511	4.245	5	1	IIBF	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587234091	WWVDRCLKPRDNMS-WDEREUQCSA-N	425.283	4.394	5	1	IIBF	
CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H]([N+](=O)[O-])C(C)(C)O2	28705818	RYLSKGPBVSHQNU-FQEVSTJZSA-N	439.512	4.059	5	1	IIBF	
C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@H](C)O1	101467369	ZAEKBKKFRACEDV-RYUDHWBXSA-N	426.469	4.118	5	1	IIBF	
O=[N+]([O-])c1cc(Br)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12	587117058	FWPRIWMHHPJUDZ-UHFFFAOYSA-N	430.184	4.375	5	1	IIBF	
COc1cccc(CN2C(=O)C[C@@H](c3ccccc3)[C@H]([N+](=O)[O-])[C@H]2c2ccc(O)cc2)c1	653730474	ITUONADLLZGHPF-CAOCKLPOSA-N	432.476	4.304	5	1	IIBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cc(C)cc(C)c1	36190356	DQRYGXUTHQISAW-UHFFFAOYSA-N	434.518	4.133	5	1	IIBF	
O=[N+]([O-])c1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2nc3ccccc3s2)c1	82163702	XIQRTKNZPZMVKM-UHFFFAOYSA-N	433.493	4.290	5	1	IIBF	
COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@H]2OC)ccc1O	2356481223	IOXDNARANVBWEM-HYBUGGRVSA-N	436.416	4.154	5	1	IIBF	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	586949127	QLWHLKNNDCTGIK-UHFFFAOYSA-N	426.429	4.386	5	1	IIBF	
CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cc([N+](=O)[O-])ccc1F	84669368	SRVDXIHMBLZCQO-UHFFFAOYSA-N	435.411	4.353	5	1	IIBF	in-vitro
CC[C@@H](C)Nc1ncc(C(=O)NCCc2ccccc2OC)c(-c2cccc([N+](=O)[O-])c2)n1	82136145	BNMKWRTZLYIXMV-MRXNPFEDSA-N	449.511	4.243	5	1	IIBF	
O=C(Nc1ccc(NS(=O)(=O)c2ccccc2F)cc1)Nc1ccc([N+](=O)[O-])cc1	96167962	RWJJUWAZNDQMGC-UHFFFAOYSA-N	430.417	4.179	5	1	IIBF	
CCN(CC)CCNC(=O)c1ccc(NCCN(CC)CC)c2cc3ccccc3nc12	27547701	JWRRDBIQCKYVMN-UHFFFAOYSA-N	435.616	4.213	5	1	IIBF	
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1ccc(-c2ncc[nH]2)nc1	299868143	QZFUYFZIDVALQW-UHFFFAOYSA-N	442.435	4.193	5	1	IIBF	
O=C(O)CCCOc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1	587512141	UQQDTKAKGXRXOM-OAQYLSRUSA-N	425.437	4.424	5	1	IIBF	
CN(C(=O)c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)C1CCCCC1	3020353	YQBQRLSOGADWQO-UHFFFAOYSA-N	436.917	4.486	5	3	IIBF	
O=C(Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1	73197361	XZBATEJCOPXPNP-INIZCTEOSA-N	447.373	4.060	5	1	IIBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	587270858	SDZQLRZELDRGNJ-NSHDSACASA-N	445.195	4.375	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@](CNC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)C)CC2=O	587471518	SKNJLEBIEPLDKO-QHCPKHFHSA-N	426.469	4.043	5	1	IIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1	587577921	UWCIFXWWUDQTCX-FXAWDEMLSA-N	431.360	4.053	5	1	IIBF	
C[C@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587338337	CETBVSMENLJIKS-JTHBVZDNSA-N	437.379	4.443	5	1	IIBF	
CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NC[C@H](O)CC	4213395	KXTMJESCNYTIEP-NIKGAXFTSA-N	425.913	4.149	5	1	IIBF	
COc1cc(CNC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc(OC)c1OC	84723056	GCLHWMMVABGRHR-UHFFFAOYSA-N	426.425	4.119	5	1	IIBF	
O=C1Nc2cccc3c2[C@]1(CCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)CCC3	13473690	APZGUZGUBUKLKQ-VWLOTQADSA-N	434.540	4.114	5	1	IIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	587863324	YGWYFHDVQXQNJZ-UHFFFAOYSA-N	437.378	4.030	5	1	IIBF	
O=[N+]([O-])c1ccc(C2=NN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCC2)cc1	40567081	KGCQIOUZEREWDG-UHFFFAOYSA-N	443.403	4.072	5	1	IIBF	
C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCC1CCCCC1	82083990	ISAVAFNWZVEFKY-CQSZACIVSA-N	431.514	4.350	5	1	IIBF	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	587041155	DICJLXKMWFALJA-KRWDZBQOSA-N	432.889	4.411	5	1	IIBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1	587265165	KZOBEANDFRAKIL-JTQLQIEISA-N	434.296	4.457	5	1	IIBF	
COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@@H](C)C(=O)O	587511445	GQRZDXRHAOOVCX-BUXKBTBVSA-N	441.436	4.041	5	1	IIBF	
CC1=C[C@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	2356848270	ODRJFQNKJAOSGH-VWPQPMDRSA-N	440.544	4.374	5	1	IIBF	
CN1c2ccccc2C(c2ccccc2)=NC[C@@H]1CCNC(=O)c1ccc([N+](=O)[O-])cc1	13525970	AFTQTQYOCCPHGK-NRFANRHFSA-N	428.492	4.071	5	1	IIBF	
COc1ccc2nc(Nn3c(-c4ccc([N+](=O)[O-])cc4)nnc3-c3cccnc3)sc2c1	103195971	UOYXXTMUNWEIAA-UHFFFAOYSA-N	445.464	4.409	5	1	IIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	587747404	NPRVHCQWWADHLE-XYZCENFISA-N	425.254	4.137	5	1	IIBF	
COc1ccc2c(c1OC)[C@](Cc1ccc([N+](=O)[O-])cc1)(c1cccnc1)N(C)[C@H](C)C2	962641250	ZNCORZHAXVQRPA-NSYGIPOTSA-N	433.508	4.370	5	1	IIBF	
Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)n2)o1	82135618	HNHIWGLCUGOLRO-UHFFFAOYSA-N	443.463	4.495	5	1	IIBF	
C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)C[C@@H](C)O1	101467371	ZAEKBKKFRACEDV-VXGBXAGGSA-N	426.469	4.118	5	1	IIBF	
CC1(C)COC(CCC[C@]2(c3ccc([N+](=O)[O-])cc3)NCCc3ccc(O)cc32)OC1	963354947	ZIVUKKLSCAJKBN-XMMPIXPASA-N	426.513	4.259	5	1	IIBF	
O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1	73197934	ZVRNEWYZAPTJHT-INIZCTEOSA-N	447.373	4.060	5	1	IIBF	
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587233073	GZOCQWFTTRNKMS-GXSJLCMTSA-N	425.283	4.394	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1	587865970	RGNTZQRBSRXQEE-LBPRGKRZSA-N	437.378	4.049	5	1	IIBF	
CC1(C)C[C@]2(CC(C)(C)c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c32)c2cc(O)c([N+](=O)[O-])cc21	36176397	AEPFEKCKSRFWJD-NRFANRHFSA-N	443.412	4.471	5	1	IIBF	
O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	40893969	SMJMCBYEFCCALE-UHFFFAOYSA-N	436.295	4.070	5	1	IIBF	
COC(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587055870	QZLRXSKMXPAUSF-KRWDZBQOSA-N	430.848	4.038	5	1	IIBF	
FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc5nc6ccccc6nc5cc4[nH]3)n2)cc1	587113829	VEZPEOAXGNYAAZ-UHFFFAOYSA-N	446.396	4.380	5	1	IIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c([N+](=O)[O-])ccc(O)c2n1	587576358	OAUHDUGMSONVSI-XXBNENTESA-N	430.372	4.257	5	1	IIBF	
CN(C)/C=C/[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587575318	JAHFSAZCJHWCFZ-ZOXDJDRJSA-N	432.432	4.233	5	1	IIBF	
O=C([C@@H]1Cc2ccccc2[C@@H](c2cccn2Cc2ccccc2[N+](=O)[O-])N1)C(F)(F)F	962711531	MBKUDWPEBVVVHR-PXNSSMCTSA-N	429.398	4.180	5	1	IIBF	
COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1	103219719	RLVGOEZFGMCFRA-KRWDZBQOSA-N	447.739	4.494	5	1	IIBF	
Cc1ccc(NC(=O)CSCCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1	586971085	SSLLMDXRXVISND-UHFFFAOYSA-N	449.330	4.456	5	1	IIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O	587577895	UNRNVGJERUDSRW-WMZHIEFXSA-N	431.356	4.110	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc([N+](=O)[O-])cc2)N1	587746154	JHOGTDYJLVYMNP-ZQFKXBEFSA-N	434.309	4.350	5	1	IIBF	
COc1cc2c(cc1OC)[C@@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])N(C)[C@@H](C)C2	962635753	MICWPWGSNKYOFI-WHEQGISXSA-N	447.919	4.386	5	1	IIBF	
COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C(=O)[C@@H](OC(C)=O)C(C)(C)O2	26834701	ACRBNYGEMBDJFD-RUZDIDTESA-N	445.471	4.139	5	1	IIBF	
Cc1cc(N(C)Cc2nc3cccc(I)c3[nH]2)c([N+](=O)[O-])cc1F	587136697	JBVYMLBSZURZLE-UHFFFAOYSA-N	440.216	4.160	5	1	IIBF	
COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC	587743687	BFFVXIWRQVQZTI-YYSFKGJASA-N	425.254	4.137	5	1	IIBF	
CN1C(=O)C[C@H]2CN[C@H](c3ccc(OCc4ccccc4)cc3[N+](=O)[O-])c3cccc1c32	963032655	SEZNFFMZNFWRIQ-SSOJOUAXSA-N	429.476	4.317	5	1	IIBF	
CCOC(=O)c1cc(Br)c2[nH]c(CCOc3cc(C)ccc3[N+](=O)[O-])nc2c1	587261591	DDDYRPJQCMCIMW-UHFFFAOYSA-N	448.273	4.340	5	1	IIBF	
CCN(CC)CCNC(=O)c1cccc2cc3c(I)cccc3nc12	40874250	HGAGYZXUFHTUIM-UHFFFAOYSA-N	447.320	4.064	5	1	IIBF	
O=C(/C=C\c1ccccc1[N+](=O)[O-])N1N=C(c2ccncc2)O[C@H]1c1c[nH]c2ccccc12	653719092	LBDYSGDRDDXZEX-DHSLYTQISA-N	439.431	4.404	5	1	IIBF	
O=[N+]([O-])c1cc(N[C@H]2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2)ccc1CO	1857764865	ZXNZEBQHLUCVOY-KRWDZBQOSA-N	425.407	4.062	5	1	IIBF	
CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NC[C@H](O)CC	4213401	KXTMJESCNYTIEP-MDASCCDHSA-N	425.913	4.149	5	1	IIBF	
Cc1onc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079285	IRRRMOIBQUVQPC-UHFFFAOYSA-N	442.741	4.231	5	1	IIBF	
O=[N+]([O-])c1c(Br)ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12	587168281	HKWWGOPZINRQIQ-UHFFFAOYSA-N	443.236	4.498	5	1	IIBF	
O=C(c1cccc(COc2ccc([N+](=O)[O-])cc2)c1)n1ncc2ccc(Cl)cc2c1=O	587653104	PZJSWHWDNJTISQ-UHFFFAOYSA-N	435.823	4.226	5	1	IIBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	587271059	YSJKZIFWSZNTPG-NSHDSACASA-N	445.195	4.375	5	1	IIBF	
O=c1cccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)n1CCOc1ccccc1Cl	587064910	XGFBEKLHIMNLJY-UHFFFAOYSA-N	428.807	4.171	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	587866144	VIDRQLBYBGZNGP-UHFFFAOYSA-N	437.378	4.148	5	1	IIBF	
Cc1cc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)ccc1[N+](=O)[O-]	587653630	ZRAQQNFDNNRTKQ-UHFFFAOYSA-N	439.811	4.127	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN[C@H](c3cccs3)C2)cc1	31905902	KHPZHCZOSJDZJM-SFHVURJKSA-N	442.522	4.204	5	1	IIBF	
Cc1ccc([N+](=O)[O-])c(N2CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)c1	64550101	PPQZSCGKTPKXQD-UHFFFAOYSA-N	425.920	4.339	5	1	IIBF	
CS(=O)(=O)c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl	586924585	CIQGUMOQWZPPET-UHFFFAOYSA-N	448.657	4.097	5	1	IIBF	
COc1ccc(OC)c([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c1	299840865	ZREUNNDAALIMRM-IBGZPJMESA-N	425.444	4.169	5	1	IIBF	
Cc1onc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079749	MYPJMZJAMFSGEE-UHFFFAOYSA-N	428.623	4.035	5	1	IIBF	
CCOC(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c([N+](=O)[O-])c1	587868472	MBNFVMDFXCWXOT-UHFFFAOYSA-N	436.346	4.047	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)N1	587750281	HJFDRQISNLZTMJ-RBZFPXEDSA-N	445.292	4.171	5	1	IIBF	
CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)c1	6040194	FHGZDMHXJUYMNN-CTNGQTDRSA-N	449.507	4.482	5	1	IIBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	587269548	FDTLBWABNQJABM-NSHDSACASA-N	429.196	4.495	5	1	IIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-]	587265957	YNFUREIMUNPSGE-QNSHHTMESA-N	434.212	4.005	5	1	IIBF	
CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c([N+](=O)[O-])c2)cc1	36486299	WJKWETUNXPJMOL-UHFFFAOYSA-N	449.598	4.314	5	1	IIBF	
O=[N+]([O-])c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	586957718	DMYRDKARZSRGLK-FNHZYXHNSA-N	426.498	4.166	5	1	IIBF	
Cc1onc(-c2nc3c(C(F)(F)F)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587078957	DDIURWCIUMMNHY-UHFFFAOYSA-N	426.742	4.352	5	1	IIBF	
COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)Cc4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1	587270542	MRIJFCAQPQNQOR-IBGZPJMESA-N	432.436	4.293	5	1	IIBF	
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1	26502714	NSFWVTULGMSGPJ-UHFFFAOYSA-N	432.406	4.410	5	1	IIBF	
CC1(C)C=Cc2c(c3c(CN4CCSCC4)cc(=O)oc3c3cc([N+](=O)[O-])oc23)O1	169342981	KWGONUDRUWKGJE-UHFFFAOYSA-N	428.466	4.180	5	1	IIBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)CC2=O	587463883	ZPTGQIKBOWDJGV-GOSISDBHSA-N	431.832	4.451	5	1	IIBF	
O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	82195406	PONVOFMHTVTYFD-IBGZPJMESA-N	426.473	4.143	5	1	IIBF	
COc1ccc(Cl)c2c1CCN[C@@]2(c1ccc(C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1	963268904	AQPQHZPUCVROHC-QHCPKHFHSA-N	438.867	4.393	5	1	IIBF	
CCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4043235	PJALZEBHHQGPMA-PZJWPPBQSA-N	444.919	4.322	5	1	IIBF	
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3Cl)c([N+](=O)[O-])c2)CC1	13814852	MGBNIQZDOXDPDU-VQHVLOKHSA-N	445.928	4.103	5	1	IIBF	
CN(C)CCCn1c2ccc(O)cc2c2c3c(c4c5cc(O)ccc5[nH]c4c21)C(=O)NC3	14944019	DHQLGAWFRCPBAU-UHFFFAOYSA-N	428.492	4.035	5	1	IIBF	
O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCO1	103215594	QNRXPEFOWUDCHJ-GOSISDBHSA-N	440.562	4.480	5	1	IIBF	
O=[N+]([O-])c1c(Br)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12	587118497	QTSVSACFIYBGKA-UHFFFAOYSA-N	430.184	4.375	5	1	IIBF	
CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587748389	WRTCXQQKSMUWDJ-XYZCENFISA-N	425.254	4.224	5	1	IIBF	
CC[C@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1nc([N+](=O)[O-])cc1C	587863189	TVJOENRARNHFLK-OAHLLOKOSA-N	437.378	4.282	5	1	IIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587055256	NWNFCJAPZXAGFW-INIZCTEOSA-N	435.799	4.299	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1	587161110	JZAQCIJYXZENDS-UHFFFAOYSA-N	442.428	4.087	5	1	IIBF	
O=C(NC(=S)Nc1nc(Cl)cc(Cl)n1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	40863609	HGZUYHXMZAQXGS-UHFFFAOYSA-N	438.252	4.078	5	1	IIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C	587240049	QBHFXKCWIJVAFB-DBLBYYFGSA-N	434.468	4.165	5	1	IIBF	
C[C@](O)(COc1ccc(F)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	13580995	WBDAUKZUUOFCQT-INIZCTEOSA-N	436.745	4.175	5	1	IIBF	
Cn1cnnc1Sc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	587530642	CYDNPUDUKUEYHE-IBGZPJMESA-N	436.493	4.460	5	1	IIBF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)N1	962981653	VMKLSKUBGCVPMK-FXAWDEMLSA-N	445.809	4.277	5	1	IIBF	
O=C1Nc2cccc3c2[C@@]1(CCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)CCC3	13473691	APZGUZGUBUKLKQ-RUZDIDTESA-N	434.540	4.114	5	1	IIBF	
CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2cccc([N+](=O)[O-])c2)C1	82135090	XMWRTAKFDYEJFG-IAGOWNOFSA-N	441.532	4.151	5	1	IIBF	
Cc1ccc(CCNc2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1	82135459	JIXKLLOTOPKLSY-UHFFFAOYSA-N	431.496	4.155	5	1	IIBF	
O=[N+]([O-])c1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1	587108032	GIRLLHHZOOQYFB-OAHLLOKOSA-N	440.403	4.016	5	1	IIBF	
Cc1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-]	586961814	SZPMITQFHRAITN-DLVCFXQMSA-N	440.525	4.474	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1[N+](=O)[O-]	587183982	MVFMKYFGQRTWGM-UHFFFAOYSA-N	444.572	4.304	5	1	IIBF	
COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OC	775978	KXWXMYAMKILARO-UHFFFAOYSA-N	439.468	4.495	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cccc([N+](=O)[O-])c2)N1	587749135	XHQFDMJUMPEOME-INOFHLAMSA-N	434.309	4.350	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C/CC(=O)OC	13783001	ODXWPZBXBHPTPI-AJEBCSHUSA-N	439.505	4.096	5	1	IIBF	
COc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(I)c1	587179120	QMBCAEVRLHWIOO-UHFFFAOYSA-N	429.601	4.405	5	1	IIBF	
COC(=O)c1ccc(Oc2ccc3nc(COc4ccc([N+](=O)[O-])cc4C=O)[nH]c3c2)cc1	587269312	LBLOOTNGGPIBGZ-UHFFFAOYSA-N	447.403	4.442	5	1	IIBF	
CCOC(=O)c1cc(-c2ccccc2C)n(C[C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NO2)n1	36387274	WMBQTIHGBIRCLN-SFHVURJKSA-N	434.452	4.137	5	3	IIBF	
C[C@@H](F)[C@H](N)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	587125607	SOFBINWXFDXBQD-STFLBKPXSA-N	447.422	4.203	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1nc([N+](=O)[O-])cc1C	587865595	CHOJCHWOXJZMIR-GFCCVEGCSA-N	437.378	4.282	5	1	IIBF	
CCCCCCN(CCCCCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	13648900	POHDJOFSNGGERM-UHFFFAOYSA-N	430.527	4.117	5	1	IIBF	
CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	586930611	MSEFCIGINUOHPR-UHFFFAOYSA-N	431.521	4.357	5	1	IIBF	
O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1	587201906	DBNUSMVCLFJYHX-QGZVFWFLSA-N	441.447	4.102	5	1	IIBF	
Cc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC2CCCCC2)cc1	36190328	IDPWSIWQGCMVFU-UHFFFAOYSA-N	433.486	4.016	5	1	IIBF	
CC[C@H](C)Nc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1	82135847	IAQFEQBMMRNURA-HNNXBMFYSA-N	437.475	4.374	5	1	IIBF	
Cc1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2cc1[N+](=O)[O-]	586945325	GLAQNULUIONTMO-UHFFFAOYSA-N	434.524	4.048	5	1	IIBF	
Cc1cc(C)n2nc(SCc3nnc(SCc4cccc([N+](=O)[O-])c4)s3)nc2n1	96928624	SPBGIEBTEQNBDG-UHFFFAOYSA-N	445.555	4.085	5	1	IIBF	
COc1ccc(S(=O)(=O)N2CCc3cccc(Nc4ccc([N+](=O)[O-])cc4)c32)cc1	299825352	CGENQQPPCOLHAJ-UHFFFAOYSA-N	425.466	4.098	5	1	IIBF	
O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1	96167968	IVSFLLNZYCLRMA-UHFFFAOYSA-N	430.417	4.179	5	1	IIBF	
O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2c(F)cc(F)cc2[N+](=O)[O-])N1	962926753	VCEOXVIKYNOEJP-GHTZIAJQSA-N	442.374	4.059	5	1	IIBF	
O=C1C[C@@H]2OCC=C3C[N+]4(CC5CCCCC5)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@@H]64	27437302	LUKZBVLMTSSIFN-OPZGMFQTSA-N	431.600	4.188	5	1	IIBF	
C[N@@+]1(CCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	261141037	NBVYRBDIADJELP-NJHZRGNWSA-O	442.583	4.253	5	1	IIBF	
COCCOc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-]	587264723	ILRLIPHTDWINJN-UHFFFAOYSA-N	428.189	4.204	5	1	IIBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(Cl)cc2[nH]1	587265002	RCXPOSRKLJFLCF-MLXNANBUSA-N	426.216	4.220	5	1	IIBF	
Cc1c(C(=O)NCc2cccc([N+](=O)[O-])c2)sc(=O)n1Cc1ccc(C(C)C)cc1	61907276	NCHQFTZWBSABCV-UHFFFAOYSA-N	425.510	4.228	5	3	IIBF	
CN(C)/C=C\[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587575317	JAHFSAZCJHWCFZ-JUSGPXSWSA-N	432.432	4.233	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc([N+](=O)[O-])cc3)no2)N1	587750491	ICHJOZGNKCUKJT-FVMDXXJSSA-N	433.237	4.170	5	1	IIBF	
O=[N+]([O-])c1cc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(F)cc1O	962963487	YTFMKJVJERUXTF-SFHVURJKSA-N	426.366	4.199	5	1	IIBF	
COc1ccc(/C=C\c2ncc([N+](=O)[O-])n2CCOC(=O)c2c[nH]c3ccccc23)cc1	299831768	RIHGKPBSMLREPA-FLIBITNWSA-N	432.436	4.309	5	1	IIBF	
COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c(OCC(C)C)c1	299851820	KFKGEVMMVGUDMO-UHFFFAOYSA-N	430.457	4.456	5	1	IIBF	
Cc1oc(-c2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3[nH]2)cc1[N+](=O)[O-]	587268539	CQEJSSBPMPLLDF-UHFFFAOYSA-N	432.845	4.494	5	1	IIBF	
Cc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1	58568501	TYUCUCMQIPGMAW-WUXMJOGZSA-N	427.416	4.471	5	1	IIBF	
CC[C@H](C)NC(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc([N+](=O)[O-])c1	82135881	CLCKMZFCXLIXPJ-INIZCTEOSA-N	449.511	4.243	5	1	IIBF	
COc1cc2c3c(c4ccc(NS(C)(=O)=O)cc4c2cc1OC)CN1CCCC[C@H]1C3	473121477	PQRKJBDDRMUNBV-INIZCTEOSA-N	440.565	4.292	5	1	IIBF	
CC(C)n1c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc(Br)c1Br	587005025	JNOIAJSPWBTWEE-UHFFFAOYSA-N	429.072	4.441	5	1	IIBF	
Cc1onc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079079	GRGCDOMJJUDBGQ-UHFFFAOYSA-N	429.170	4.264	5	1	IIBF	
O=[N+]([O-])c1cccnc1NCc1nc2c(Br)ccc(Br)c2[nH]1	587268197	NXJYPBLTNXFTIR-UHFFFAOYSA-N	427.056	4.003	5	1	IIBF	
COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1ccc([N+](=O)[O-])n1	587511637	HZORHVZANULMRC-JOCHJYFZSA-N	433.464	4.434	5	1	IIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	587743923	CAETYWXGRXYUBV-DYBLOJMWSA-N	425.254	4.137	5	1	IIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C	587862758	HTFJOFABEYGWCI-GFCCVEGCSA-N	437.378	4.200	5	1	IIBF	
O=C1c2ccccc2[C@](O)(c2ccc(Br)cc2)N1Cc1ccc([N+](=O)[O-])cc1	66103588	WRDIZCBMKTVCSR-OAQYLSRUSA-N	439.265	4.207	5	1	IIBF	
C[C@@H]1O[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	586917186	NMSGZFYTNVSKNQ-MLMJSJRWSA-N	428.400	4.305	5	1	IIBF	
O=[N+]([O-])c1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1[N+](=O)[O-]	586975294	DNJVVZIQHHXSPQ-UHFFFAOYSA-N	427.598	4.374	5	1	IIBF	
CN1C(=O)C[C@H]2CN[C@@H](c3ccc(-c4ccc(C(=O)O)cc4)cc3[N+](=O)[O-])c3cccc1c32	963034179	QRHSAMMXGYXSOE-XDHUDOTRSA-N	443.459	4.103	5	1	IIBF	
CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587141009	MKTWBFZVEJGEDB-KRWDZBQOSA-N	440.884	4.329	5	1	IIBF	
CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1	587936342	CDTXWUAZPWAXKZ-CQSZACIVSA-N	425.441	4.373	5	1	IIBF	
O=[N+]([O-])c1cc([C@H]2NCCc3ccc(O)cc32)cc(Br)c1OC(F)(F)F	963341181	MGSFRXVCIUXPHF-CQSZACIVSA-N	433.180	4.197	5	1	IIBF	
CO[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(-c3cc(F)c(OCCCC(=O)O)c(F)c3)c2)C1	1857652119	KCDRUBBNNJVSHE-SHTZXODSSA-N	437.395	4.340	5	1	IIBF	
CC(C)[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	1857541840	RIVKOLSIEKHGIO-INIZCTEOSA-N	426.256	4.000	5	1	IIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCCCO3	587058037	ZPEWRJUYMKKBKR-LJQANCHMSA-N	444.875	4.413	5	1	IIBF	
O=C1C[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)CN1Cc1ccc(F)cc1F	587148081	FPEAYZLLYJCLHY-AWEZNQCLSA-N	429.430	4.454	5	1	IIBF	
CC1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	82135692	CDWCLTPDTALGKX-QZTJIDSGSA-N	437.544	4.406	5	1	IIBF	
CCc1ccc(NC(=O)NC(=O)c2ccccc2[N+](=O)[O-])cc1Oc1ncc(Cl)cn1	1617771	FWQBQIPETMKPHV-UHFFFAOYSA-N	441.831	4.355	5	1	IIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1	587577923	UWCIFXWWUDQTCX-XLIONFOSSA-N	431.360	4.053	5	1	IIBF	
CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587748386	WRTCXQQKSMUWDJ-HUTHGQBESA-N	425.254	4.224	5	1	IIBF	
Cc1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c(C)n1	586947932	BRMPATMLENCLJF-UHFFFAOYSA-N	437.481	4.259	5	1	IIBF	
COc1cc2c3c(c1)O[C@H](c1c(-c4ccc([N+](=O)[O-])cc4)nc4ccccn14)[C@@H](C2)C3=O	587433125	OHOOCLRPJVAHSK-XDHUDOTRSA-N	427.416	4.407	5	1	IIBF	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587112292	FRLUIJFVYZQKEE-NSHDSACASA-N	429.196	4.495	5	1	IIBF	
COc1cc2c3c(c1)O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@@H](C)CC(=O)O)[C@@H](C2)C3=O	587420854	JEYRXMRRHADCNI-ZFDMUXSDSA-N	431.828	4.011	5	1	IIBF	
CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1	653816512	ZIHKPDHNUVICNK-LJQANCHMSA-N	426.473	4.421	5	1	IIBF	
Cc1ccc(CCNc2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1	82135500	IUYSKXRDZHRZIA-UHFFFAOYSA-N	431.496	4.251	5	1	IIBF	
N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586984937	WGTNJUZCDKBITE-NSHDSACASA-N	440.095	4.239	5	1	IIBF	
CC[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)n1cc(I)c(C)n1	587186141	SFZVDLPGXOLFNS-GFCCVEGCSA-N	445.648	4.233	5	1	IIBF	
CC(C)(C)OC(=O)NC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCC(O)CC1	587237221	MVGYOBQHQJROBT-UHFFFAOYSA-N	433.512	4.314	5	1	IIBF	
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CN(CC2CC2)CCN1C3	72111483	TZOJLLMWKHSMBB-GOSISDBHSA-N	432.564	4.471	5	1	IIBF	
Cc1noc(-c2ccccc2)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	84671028	ZUGPGNLCUHUAJO-UHFFFAOYSA-N	426.860	4.174	5	1	IIBF	
COc1cccc2cc(-c3csc(NC(=O)Nc4ccc([N+](=O)[O-])cc4)n3)c(=O)oc12	261158836	QLRWZNZAMHTFAQ-UHFFFAOYSA-N	438.421	4.477	5	1	IIBF	
CC/C(C)=C(/N)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620794	GLRMEMHHFXGEAK-UDWIEESQSA-N	444.513	4.294	5	1	IIBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCC[N+](C)(C)C)C2	14947225	NGTBGFYKCSGZJK-DPPGTGKWSA-N	443.652	4.267	5	1	IIBF	
COc1cc2cc(CN3CCC[C@H]3C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC	103175467	JYFBXWFCJFDMNT-IBGZPJMESA-N	425.481	4.076	5	1	IIBF	
O=[N+]([O-])c1cc(CSc2nnnn2Cc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1	473134054	BKTJWNGYYKBZON-UHFFFAOYSA-N	441.256	4.137	5	1	IIBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	587273712	KRJODGDIGPDYEB-ZETCQYMHSA-N	434.172	4.132	5	1	IIBF	
C[C@@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577273	RMQGGFKLSNMPQF-REWPJTCUSA-N	434.404	4.050	5	1	IIBF	
COc1cccc(C(=O)Nc2ccc(Nc3ccc([N+](=O)[O-])c4ncnc(O)c34)cc2)c1	1857596388	VWVVBBVTBPMJSX-UHFFFAOYSA-N	431.408	4.248	5	1	IIBF	
COc1cc(O)c2c(=O)c3cc4c(c(O)c3oc2c1CCC(C)(C)O)OC(C)(C)C=C4	14613746	UUSOJKOVJCTMOK-UHFFFAOYSA-N	426.465	4.254	5	1	IIBF	biogenic,in-vitro
O=C(c1cc([N+](=O)[O-])ccc1OCc1ccccc1)n1ncc2ccc(Cl)cc2c1=O	587653101	PYZSPHKCYPLLRQ-UHFFFAOYSA-N	435.823	4.226	5	1	IIBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Br)cc([N+](=O)[O-])c1	587869988	WYFSQARHTLGOCU-UHFFFAOYSA-N	434.221	4.447	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2[N+](=O)[O-])(C(=O)O)N1	587744687	FHEGVUUOGUPTLN-DXXWUUCVSA-N	435.249	4.024	5	1	IIBF	
O=[N+]([O-])c1ccc(NC(=S)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1	1772654770	QUZCVCOGGWFMTC-UHFFFAOYSA-N	427.917	4.315	5	1	IIBF	
CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	586939944	VCEUOJGEVSRVPX-AWEZNQCLSA-N	431.521	4.403	5	1	IIBF	
Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1ccc(OC(F)(F)F)cc1	1857616731	YCSYOKCCJHUTBM-UHFFFAOYSA-N	430.342	4.472	5	1	IIBF	
CCCCCCc1cc([S@](C)(=O)=NC(N)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12	60168545	ZIYPUCXOKPJILR-HKBQPEDESA-N	444.509	4.303	5	1	IIBF	
O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1F	586961255	QRNBCSFMWIRCAR-VIZZQPHQSA-N	444.488	4.305	5	1	IIBF	
CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(Br)cc1	586985154	KPVDJUVVANOKHL-ZDUSSCGKSA-N	437.681	4.307	5	1	IIBF	
Cc1nn(Cc2ccccc2-c2nc3ccnc(Br)c3[nH]2)c(C)c1[N+](=O)[O-]	587264075	ADNMJWPZCNUTMZ-UHFFFAOYSA-N	427.262	4.157	5	1	IIBF	
N[C@@H](CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587271027	XHJPTTZGEVQPRF-ZDUSSCGKSA-N	441.797	4.042	5	1	IIBF	
COc1cc2ncc3c(N)nc(-c4cncc(OC[C@H](N)CC(C)C)c4)cc3c2cc1OC	49068716	YPVWKNICBVIRFI-MRXNPFEDSA-N	447.539	4.197	5	1	IIBF	
O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1c(CO)oc2cc(Br)cnc12	587276203	JWDYVPFHFWAROY-UHFFFAOYSA-N	443.209	4.482	5	1	IIBF	
COc1ccc2c(c1OC)[C@@](Cc1ccc([N+](=O)[O-])cc1)(c1cccnc1)N(C)[C@H](C)C2	962641245	ZNCORZHAXVQRPA-CRICUBBOSA-N	433.508	4.370	5	1	IIBF	
CN(C)CCCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC[N+](C)(C)C)cc12	1772624942	HMSKTIKHRJGXKZ-UHFFFAOYSA-N	435.592	4.015	5	1	IIBF	
CCN(CC)c1ccc(-c2nn(-c3ncc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1	587667175	IEPGANRGVVTVIL-UHFFFAOYSA-N	445.479	4.216	5	1	IIBF	
CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1	653843496	JLGQGIFPYQHPRA-UHFFFAOYSA-N	442.825	4.271	5	1	IIBF	
C[C@@]1(CC(=O)Nc2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577272	RMQGGFKLSNMPQF-OFNKIYASSA-N	434.404	4.050	5	1	IIBF	
O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c([N+](=O)[O-])cccc12	13472878	KKMLEORKTRLLFG-UHFFFAOYSA-N	434.283	4.371	5	1	IIBF	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC)nc1-c1ccc([N+](=O)[O-])cc1	82149159	YSBGTFHNRYRFMW-UHFFFAOYSA-N	433.512	4.479	5	1	IIBF	
COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O	587332179	FLRXKDSWFNQYKM-OFNKIYASSA-N	439.395	4.428	5	1	IIBF	
COc1cc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1OC	587117913	HMPLBOJVQZLULW-UHFFFAOYSA-N	447.373	4.419	5	1	IIBF	
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)[C@H](O)[C@@H]1CCC[N+]1([O-])C3	49071457	MSEYHQHYVWQFRE-ACYOWCCNSA-N	425.481	4.051	5	1	IIBF	
O=[N+]([O-])c1ccc([C@H](c2ccc(O)cc2O)c2cc(Br)c(O)cc2O)cc1	73196139	JVHQYPMCINMMEJ-LJQANCHMSA-N	432.226	4.360	5	1	IIBF	
O=[N+]([O-])c1c(Br)ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12	586996719	JRLSWWNQAXFWNX-CYBMUJFWSA-N	427.052	4.078	5	1	IIBF	
COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCn1cc([N+](=O)[O-])cn1	587513455	SUPPNLYXTCIVFS-QFIPXVFZSA-N	449.463	4.422	5	1	IIBF	
COC(=O)C1=C(C)N(CCN(C)C)c2ccccc2S[C@H]1c1cccc([N+](=O)[O-])c1	27720718	JTOAMNKQXXGKQO-NRFANRHFSA-N	427.526	4.257	5	1	IIBF	
CCO[C@H](c1cc(OC)cc([N+](=O)[O-])c1OC)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C\CC(=O)OC	169343873	ODXWPZBXBHPTPI-OYZANCBUSA-N	439.505	4.096	5	1	IIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587265652	XHLLMQWNBDGMLE-HRDYMLBCSA-N	434.212	4.005	5	1	IIBF	
CCCCNC(=O)c1cnc(NCCc2ccccc2OC)nc1-c1cccc([N+](=O)[O-])c1	82214808	NUIXFQAIZBFZMZ-UHFFFAOYSA-N	449.511	4.245	5	1	IIBF	
COc1cc2c(ccc3c4c(=O)oc5cc(O)c(OC)cc5c4n(CCN(C)C)c23)cc1O	200881679	XOMHWNWTCMIDGF-UHFFFAOYSA-N	448.475	4.044	5	1	IIBF	
Cc1onc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587078777	BESCEPRSLDJTGQ-UHFFFAOYSA-N	444.732	4.491	5	1	IIBF	
CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c1	587264701	JUPBKANTVYWNPK-UHFFFAOYSA-N	440.481	4.429	5	1	IIBF	
C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCC1CCCCC1	82083704	IEQDGVDEJHVQQQ-CQSZACIVSA-N	431.514	4.350	5	1	IIBF	
Cc1cc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2cc1[N+](=O)[O-]	587005998	DJUMIDCDFFTALS-UHFFFAOYSA-N	439.269	4.419	5	1	IIBF	
CCOC(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587057473	XGARMDVFVJEPCX-SFHVURJKSA-N	444.875	4.428	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149644	PNYFITHHBYDCPY-IAGOWNOFSA-N	425.533	4.262	5	1	IIBF	
O=C(NOCc1ccccc1)c1ccc(CSc2ccc([N+](=O)[O-])c3nonc23)cc1	299826045	YHACPSGETGQJRN-UHFFFAOYSA-N	436.449	4.285	5	1	IIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnc(C(F)(F)F)[nH]c-2n1	587056908	VYYUBFXFWUGASI-GFCCVEGCSA-N	442.785	4.012	5	1	IIBF	
Cc1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-]	586961821	SZPMITQFHRAITN-VMRPVKRXSA-N	440.525	4.474	5	1	IIBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Cl)cc(Br)c2[nH]1	587116276	BIUXBYHULGSIIG-UHFFFAOYSA-N	438.591	4.459	5	1	IIBF	
Cc1nn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1[N+](=O)[O-]	587341618	ZEPBGAXQFKDPEY-DENIHFKCSA-N	425.416	4.071	5	1	IIBF	
CN(C)/C=C\[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587575315	JAHFSAZCJHWCFZ-AFUZNKLUSA-N	432.432	4.233	5	1	IIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN[C@@H](c3cccs3)C2)cc1	5579441	KHPZHCZOSJDZJM-GOSISDBHSA-N	442.522	4.204	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1	587722375	YMQVBPSYPKCSFY-LZVRBXCZSA-N	427.245	4.333	5	1	IIBF	
CCCCCCc1cc([S@@](C)(=O)=NC(N)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12	141017493	ZIYPUCXOKPJILR-WJOKGBTCSA-N	444.509	4.303	5	1	IIBF	
Cc1onc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080143	RUXQWXJTTUIMPA-UHFFFAOYSA-N	428.623	4.035	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1	587865617	DKVKIGTTYLQDGD-GFCCVEGCSA-N	437.378	4.282	5	1	IIBF	
CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc2cnccc2c(Br)n1	587942267	UYAQTMYJIQYUBP-LLVKDONJSA-N	435.278	4.318	5	1	IIBF	
O=C(NCC1CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085097	POZMRKIFMBPSKA-IBGZPJMESA-N	442.541	4.019	5	1	IIBF	
CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CC2)cc1	586955265	ODEWNJCVLVFBDJ-UHFFFAOYSA-N	446.504	4.302	5	1	IIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1	587747987	RCHCENKJSVCDGR-MPBGBICISA-N	445.292	4.056	5	1	IIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(F)cc(C(=O)O)c2[nH]1	587055996	RVUSLJKWOLCMTH-HNNXBMFYSA-N	434.811	4.089	5	1	IIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	587749092	WZUNOQXMVWSKEY-VVVCHXIZSA-N	425.254	4.137	5	1	IIBF	
Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)SC(N)=N2	17222129	OLAJRZGJYUWZEJ-MRXNPFEDSA-N	427.873	4.224	5	1	IIBF	
Cc1c(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cccc1[N+](=O)[O-]	20104874	WXEBTGQNONALKL-DHIUTWEWSA-N	427.460	4.379	5	1	IIBF	
CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2ccc([N+](=O)[O-])cc2s1	84652334	BZELWBXAQZLWPT-UHFFFAOYSA-N	431.271	4.229	5	1	IIBF	
Cc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)O)n2Cc1cc([N+](=O)[O-])ccc1F	84729379	JRHADLGIHRUXGX-UHFFFAOYSA-N	435.411	4.407	5	1	IIBF	
CCOc1cc2oc(=O)c(-c3nc4c([N+](=O)[O-])cccc4[nH]3)cc2cc1Br	587001355	YDQHNKNKVMKQAG-UHFFFAOYSA-N	430.214	4.406	5	1	IIBF	
CCCOc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br	587091169	BUXDYOOEIKOQLP-UHFFFAOYSA-N	448.199	4.448	5	1	IIBF	
CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	82136094	MXFLYWOGJKWSII-UHFFFAOYSA-N	431.496	4.314	5	1	IIBF	
COc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1[N+](=O)[O-]	587577538	SKEGTHZAPSFAIV-AUSIDOKSSA-N	432.388	4.493	5	1	IIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C	587862759	HTFJOFABEYGWCI-LBPRGKRZSA-N	437.378	4.200	5	1	IIBF	
COc1cc([C@@H]2Oc3c(cc4c(=O)c5ccccc5oc4c3OC)O[C@H]2OC)ccc1O	238764251	VLMUGXOFDSJCTM-GBXCKJPGSA-N	436.416	4.154	5	1	IIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	587110289	YNLJOMIIMMCXSL-UHFFFAOYSA-N	444.373	4.140	5	1	IIBF	
COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NC(C)C)cc1	774334	QLSRLUPZXXDPLV-UHFFFAOYSA-N	441.440	4.081	5	1	IIBF	
C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(=N)[nH]c5)cc4c32)c1	1857632637	JGLBGBDMKMGQFA-UHFFFAOYSA-N	433.471	4.138	5	1	IIBF	
CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OCCCCCCCC[N+](C)(C)C)ccc(c23)C1	14947232	IBXVNKSIYGDEGH-DPPGTGKWSA-N	443.652	4.267	5	1	IIBF	
Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1	587575715	KQIMOCUEPJMLQN-HYBUGGRVSA-N	443.415	4.404	5	1	IIBF	
O=[N+]([O-])c1cncc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12	587166063	RQLOXRPRYVLMKX-UHFFFAOYSA-N	429.415	4.343	5	1	IIBF	
COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OC	587743918	CACYJZRFKJFASS-LZVRBXCZSA-N	425.254	4.137	5	1	IIBF	
CN(C)/C=C/[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587573089	BAQUNDMUWKHAMK-AHUNDJPPSA-N	432.432	4.233	5	1	IIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)n2ccc([C@@H](O)c3ccc(Cl)cc3Cl)c2)cc1	29554824	ZIYVQGDEYNGNMF-QGZVFWFLSA-N	427.265	4.022	5	1	IIBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc(I)c3[nH]2)c1	587270017	VCPIYLRNDDNQIL-UHFFFAOYSA-N	434.237	4.343	5	1	IIBF	
COc1cc2oc3cc(O)c(OC)c(CCC(C)(C)O)c3c(=O)c2c2c1CCC(C)(C)O2	35049317	BZYCWDHOJGDPIM-UHFFFAOYSA-N	442.508	4.476	5	1	IIBF	biogenic
COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OC	587743684	BFFVXIWRQVQZTI-NIVTXAMTSA-N	425.254	4.137	5	1	IIBF	
O=C(Nc1nc2ccc(Cl)cc2s1)NN1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1	1857553707	HFEFVMLCQRYGPR-OAHLLOKOSA-N	449.901	4.169	5	1	IIBF	
CC(C)OC(=O)C1=C(C(C)C)NC(=O)N(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	96272083	HGOXWCJNVIMSIE-GOSISDBHSA-N	433.461	4.068	5	1	IIBF	
Cc1csc([C@@](O)(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)C(F)(F)F)n1	587093861	HMXVUQQBVALNSP-IBGZPJMESA-N	429.427	4.417	5	1	IIBF	
C[C@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21	962692521	FLYYNGJENHTXJN-MJGOQNOKSA-N	437.349	4.096	5	1	IIBF	
CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ncc([N+](=O)[O-])s4)c3c2)cc1	28957607	VGZBYVJCYXZGHV-UHFFFAOYSA-N	441.494	4.382	5	1	IIBF	
CC1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149462	AHQOIYFQTUIPNF-QZTJIDSGSA-N	437.544	4.406	5	1	IIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c([N+](=O)[O-])ccc(O)c2n1	587576350	OAUHDUGMSONVSI-AUSIDOKSSA-N	430.372	4.257	5	1	IIBF	
O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3cnc(C4CC4)o3)cc1)CCCO2	1772585779	UMPDDBGRMFWHAG-UHFFFAOYSA-N	441.465	4.105	5	1	IIBF	
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(Br)(C(F)(F)F)C(F)(F)F	68573996	HQNPZCROJDLIRS-UHFFFAOYSA-N	429.498	4.445	5	1	IIBF	biogenic
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(C)c(Br)cnc2[nH]1	587262723	HNEPJEXTZQNMEI-SNVBAGLBSA-N	449.261	4.288	5	1	IIBF	
COc1ccc(C(=O)OC[C@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1	34801519	VQCSZIZZMFKKSC-IBGZPJMESA-N	438.358	4.168	5	1	IIBF	
CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C(F)(F)C1	587133192	ZTXXTSSZKJRTJO-SECBINFHSA-N	447.236	4.203	5	1	IIBF	
O=C(c1cc2cc([N+](=O)[O-])ccc2s1)c1c(CO)oc2cc(Br)cnc12	587275920	HYEXCXRXKMVETA-UHFFFAOYSA-N	433.239	4.437	5	1	IIBF	
COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587568868	OHOZVNBGIFMLEJ-GCJKJVERSA-N	425.368	4.325	5	1	IIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(C)c2c1	587621680	ZKAYPHFVWXTNKY-UHFFFAOYSA-N	438.465	4.256	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1	82135554	WFQZSRWURQXVGN-IAGOWNOFSA-N	425.533	4.262	5	1	IIBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(Br)ccc(Br)c2[nH]1	587267092	FJRJIVYFBOPMLK-ZETCQYMHSA-N	429.072	4.110	5	1	IIBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	587271008	WIHPVNMXSQPEEW-LBPRGKRZSA-N	429.196	4.495	5	1	IIBF	
COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)Cn5cc([N+](=O)[O-])cn5)[nH]c4c3)o2)cc1	587274810	TZJSBQYFDITXSZ-ZDUSSCGKSA-N	445.439	4.197	5	1	IIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	587747399	NPRVHCQWWADHLE-HUTHGQBESA-N	425.254	4.137	5	1	IIBF	
COC(=O)c1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2c(F)c1Nc1ccccc1	587266900	CINBVDKAARUOGC-GFCCVEGCSA-N	438.419	4.255	5	1	IIBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)c(Br)cc2[nH]1	587270069	JLUOAWLOPFCQQJ-LBPRGKRZSA-N	440.095	4.239	5	1	IIBF	
O=C(/C=C/c1ccc(F)cc1)NCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1	35861381	IDYOWPNZJDBCJP-LFYBBSHMSA-N	432.411	4.318	5	1	IIBF	
NS(=O)(=O)c1cc2nc(-c3ccccc3Br)n3c4ccccc4oc(c1)c23	95587935	MPTNZEYVWAWMBK-UHFFFAOYSA-N	442.294	4.311	5	1	IIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1	587865618	DKVKIGTTYLQDGD-LBPRGKRZSA-N	437.378	4.282	5	1	IIBF	
COc1cc2cc(CN3CCCC[C@H]3C(=O)O)c3cc(OC)c(OC)cc3c2cc1OC	103203816	SCKWFAPPMSMUGM-FQEVSTJZSA-N	439.508	4.467	5	1	IIBF	
O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cccn4c(Br)cnc34)nc12	587007833	SOURQXWRSZAOQR-UHFFFAOYSA-N	437.051	4.311	5	1	IIBF	
CCN1C(=O)C[C@@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@H]1c1ccccc1Cl	587061068	IYKARXPWMBADDE-ZMZPIMSZSA-N	429.820	4.110	5	1	IIBF	
Cc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c([N+](=O)[O-])c1	587661498	POLBXROOAKTLCK-UHFFFAOYSA-N	433.395	4.138	5	1	IIBF	
CCN(CC)CCNc1ccc(CN)c2sc3ccc(Br)cc3c(=O)c12	27191606	IGUCWKLLXVLDPU-UHFFFAOYSA-N	434.403	4.390	5	1	IIBF	
O=C1c2ccccc2[C@@](O)(c2ccc(Br)cc2)N1Cc1ccc([N+](=O)[O-])cc1	66103586	WRDIZCBMKTVCSR-NRFANRHFSA-N	439.265	4.207	5	1	IIBF	
COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O	587507911	DELLHBFRNUKBSE-BLVKFPJESA-N	441.436	4.041	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncc(Br)cc2[N+](=O)[O-])N1	587687621	VQOGADPSHBJGFI-ZIDLFYJRSA-N	445.086	4.278	5	1	IIBF	
CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1	82150135	OKWGLLBEYQSXGJ-UHFFFAOYSA-N	425.533	4.406	5	1	IIBF	
N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587113069	JOYLHFWGBFAUML-NSHDSACASA-N	429.196	4.495	5	1	IIBF	
O=C1c2ccccc2C[C@]23C4=C(NCCC4=NC[C@H]12)c1nccc2c1c3nc1ccccc12	2356848625	PGWPQBKCTVOMEI-WHLCRQNOSA-N	428.495	4.249	5	1	IIBF	
COc1ccc(-c2nc3ccccc3c(=Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)cc1OC	1857636477	MXYGOQGQBGZJRU-UHFFFAOYSA-N	447.407	4.296	5	1	IIBF	
O=C(Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1	73198073	UMKSBYKKHMLLBA-INIZCTEOSA-N	448.357	4.487	5	1	IIBF	
Cc1ccccc1NC(=O)NCCn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc2c1=O	103166631	IXKVCWHEEGAQHW-UHFFFAOYSA-N	443.463	4.102	5	1	IIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(F)cnc(Cl)c2[nH]1	587054258	JFJOYPNBCROKLP-GFCCVEGCSA-N	426.235	4.439	5	1	IIBF	
O=C(/C=C\c1ccccc1[N+](=O)[O-])N1N=C(c2ccncc2)O[C@@H]1c1c[nH]c2ccccc12	653719093	LBDYSGDRDDXZEX-OPSAWKISSA-N	439.431	4.404	5	1	IIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2cccc([N+](=O)[O-])c2)N1	587748578	VSVSYVWIWAAFSB-JEOXALJRSA-N	436.281	4.275	5	1	IIBF	
COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586915096	APLQKUFVABPSBD-BUXKBTBVSA-N	430.258	4.450	5	1	IIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2c([N+](=O)[O-])ccc(O)c2F)N1	587719795	QQNJZJNSZHKXJH-NIVTXAMTSA-N	427.245	4.333	5	1	IIBF	
CC[C@H](C)Nc1ncc(C(=O)NCCc2ccccc2OC)c(-c2ccc([N+](=O)[O-])cc2)n1	82159829	LCUQDNMHQZBDRO-INIZCTEOSA-N	449.511	4.243	5	1	IIBF	
Cc1csc([C@@](O)(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)C(F)(F)F)n1	587092662	AFYUTRBOHCIIPA-IBGZPJMESA-N	429.427	4.417	5	1	IIBF	
CN(C)/C=C/[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587573304	BAQUNDMUWKHAMK-VQMHNJBBSA-N	432.432	4.233	5	1	IIBF	
CCC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21	1772589104	ZRFYEYDKSDYTQM-UHFFFAOYSA-N	449.514	4.239	5	1	IIBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2cccc(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1	169723529	KMNDOCKUJXUOGX-FPOVZHCZSA-N	440.427	4.099	5	1	IIBF	
CC(C)(C)OC(=O)Nc1snnc1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1	587038277	OAFRKNWXFSFLED-UHFFFAOYSA-N	441.267	4.099	5	1	IIBF	
C[C@@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587338334	CETBVSMENLJIKS-GMAHTHKFSA-N	437.379	4.443	5	1	IIBF	
COc1cc([N+](=O)[O-])c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC	587749173	XRMPGJOYMXUXBX-OVWNDWIMSA-N	439.281	4.311	5	1	IIBF	
CC[C@H](C)CCC[C@@H](O)[C@@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12	169293187	BNLCCYULJSGXCA-RVHYNSKXSA-N	438.524	4.404	5	1	IIBF	
O=[N+]([O-])c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c12	586957722	DMYRDKARZSRGLK-YJLNNSPDSA-N	426.498	4.166	5	1	IIBF	
CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587189820	DJKXDRKNRWNSCK-KRWDZBQOSA-N	427.417	4.336	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(C)c(Br)cnc2[nH]1	587262720	HNEPJEXTZQNMEI-JTQLQIEISA-N	449.261	4.288	5	1	IIBF	
O=[N+]([O-])c1ccc(-c2cc(O)n(-c3nn(COc4ccccc4F)cc3Cl)c2O)cc1	587946093	PJINJNQMMDGCLL-UHFFFAOYSA-N	444.806	4.489	5	1	IIBF	
CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1ccc(CC)cc1	1772584270	CRCBPRULMBKOIH-HXUWFJFHSA-N	440.503	4.185	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c([N+](=O)[O-])cc(F)cc32)N1	587736956	XMUQJZRIYRUOJH-LZVRBXCZSA-N	425.229	4.196	5	1	IIBF	
CC[C@@]1(c2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12	962668634	OLTNBFLVRVBQQM-DQEYMECFSA-N	444.491	4.377	5	1	IIBF	
Cc1cc2ccn(C)c2c2c3c(c4c5ccccc5n(CCCCO)c4c12)C(=O)NC3=O	13535073	IKFPYDPPSMGTIF-UHFFFAOYSA-N	425.488	4.404	5	1	IIBF	
CC(C)n1c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc(Br)c1Br	587005528	YFIHJOYHDPAWGH-UHFFFAOYSA-N	429.072	4.441	5	1	IIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)c(C)nc2[nH]1	587262195	GAHBNUNGQYOENX-SNVBAGLBSA-N	449.261	4.288	5	1	IIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc([N+](=O)[O-])c2)(c2nccn2C)N1	587746302	JLYRHJXUYHYKLT-ODXCJYRJSA-N	445.292	4.056	5	1	IIBF	
COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@H](C)C(=O)O	587511447	GQRZDXRHAOOVCX-CWTRNNRKSA-N	441.436	4.041	5	1	IIBF	
CC(C)CN(C)c1ncc(C(=O)NCC2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1	82147794	HWQSQPMLXWRDQV-UHFFFAOYSA-N	425.533	4.454	5	1	IIBF	
N[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586984936	WGTNJUZCDKBITE-LLVKDONJSA-N	440.095	4.239	5	1	IIBF	
COc1ccc2c(=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccc(OC)cc3oc2c1	27523002	DUHBAKPFWBKOLT-UHFFFAOYSA-N	436.380	4.347	5	1	IIBF	
O=C(Nc1ccc(Cl)cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O	103288456	WLABTIYXWPOFAO-UHFFFAOYSA-N	428.275	4.101	5	1	IIBF	
COc1ccc(NC(=O)Nc2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1	261112939	IIJZUNIEMFERKW-UHFFFAOYSA-N	438.421	4.477	5	1	IIBF	
COc1cc2c(cc1OC)C[N@@+](C)(CCCCCCCc1cccc(OC)[n+]1C)CC2	299844657	OMSAJIKKMALDKQ-NDEPHWFRSA-N	428.617	4.233	5	1	IIBF	
O=[N+]([O-])c1cc(Br)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12	587119803	FVAZCKGYXANFGQ-UHFFFAOYSA-N	444.211	4.376	5	1	IIBF	
O=[N+]([O-])c1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1[N+](=O)[O-]	587017661	NMGANFSMJLBRPD-UHFFFAOYSA-N	433.409	4.795	5	1	IIBF	
CCNc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-]	587868874	WENYNFLSOQQJFM-UHFFFAOYSA-N	435.362	4.001	5	1	IIBF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2ccc([N+](=O)[O-])cc2C(F)(F)F)N1	962964052	JENHGNKLQZYYDV-SWLSCSKDSA-N	436.720	4.234	5	1	IIBF	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)Nc1cc(N2CCC[C@@H]2C(=O)O)ccc1[N+](=O)[O-]	13553380	VQJLJGFMNFFKDI-ZHFAOOELSA-N	447.532	4.064	5	1	IIBF	
CS(=O)(=O)c1ccc(/C(=C\C2CCCCC2)C(=O)Nc2nccs2)cc1[N+](=O)[O-]	34352662	FICFIIMMJODLNW-RVDMUPIBSA-N	435.527	4.057	5	1	IIBF	
CC(C)OC(=O)[C@H]1C(C(C)C)=NC(=O)N(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	169730111	RWSBQRWSUJGFGX-WMZOPIPTSA-N	433.461	4.281	5	1	IIBF	
CCN(CC)CCNc1ccc(CNC(=O)OC)c2sc3ccc(OC)cc3c(=O)c12	100808768	MJRBBHNMZXASLR-UHFFFAOYSA-N	443.569	4.033	5	1	IIBF	
CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587048403	AIUHICVDXCZURF-UITAMQMPSA-N	434.905	4.373	5	1	IIBF	
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587233924	WWVDRCLKPRDNMS-QWRGUYRKSA-N	425.283	4.394	5	1	IIBF	
CCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4043236	PJALZEBHHQGPMA-TZIWHRDSSA-N	444.919	4.322	5	1	IIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(Br)cc1[N+](=O)[O-]	587546522	OKSNSXUFJKOUGE-HNAYVOBHSA-N	443.209	4.161	5	1	IIBF	
CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCCOC)nc2-c2cccc([N+](=O)[O-])c2)C1	82135087	XMWRTAKFDYEJFG-IRXDYDNUSA-N	441.532	4.151	5	1	IIBF	
COCCNc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-]	587262572	XYXQSSZWBLJYQC-UHFFFAOYSA-N	427.205	4.237	5	1	IIBF	
O=c1oc2c(cc(Br)c3ccccc32)c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-]	169324337	QPPXQLDTVMQPEM-UHFFFAOYSA-N	447.628	4.421	5	1	IIBF	
O=[N+]([O-])c1cc(CSc2nnn(Cc3ccc(Cl)c(Cl)c3)n2)cc([N+](=O)[O-])c1	473133985	ADZUDPPCRVEOTO-UHFFFAOYSA-N	441.256	4.137	5	1	IIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2)nc1C(F)(F)F	587118898	RCZMHTHXMYMCPM-UHFFFAOYSA-N	445.357	4.173	5	1	IIBF	
CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H]([N+](=O)[O-])C(C)(C)O2	28705820	RYLSKGPBVSHQNU-HXUWFJFHSA-N	439.512	4.059	5	1	IIBF	
C[C@H]1n2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)[C@H](C)S1(=O)=O)C(=O)NC4=O	28762725	KEBJMSSIYOGESY-RYUDHWBXSA-N	443.484	4.251	5	1	IIBF	
CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587748388	WRTCXQQKSMUWDJ-XLFHBGCDSA-N	425.254	4.224	5	1	IIBF	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586984440	NGMKJOGUOKVADQ-HNNXBMFYSA-N	437.681	4.307	5	1	IIBF	
O=[N+]([O-])c1cnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1	587179446	VUUVBYZWSWPXMZ-UHFFFAOYSA-N	434.115	4.157	5	1	IIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)O)cc4)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587434091	RAEQHWYIYYPALC-MBSDFSHPSA-N	431.400	4.457	5	1	IIBF	
CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-]	13560028	ZBECYNAGSBELRL-UHFFFAOYSA-N	436.490	4.239	5	1	IIBF	
Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	96167951	MJVSMSUPSNXQDV-UHFFFAOYSA-N	426.454	4.348	5	1	IIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(F)cc1[N+](=O)[O-]	587860728	FXNAYKXJISFAEC-UHFFFAOYSA-N	439.321	4.344	5	1	IIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-]	587265660	XHLLMQWNBDGMLE-VGMNWLOBSA-N	434.212	4.005	5	1	IIBF	
CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	1857549239	WFYJBJASNVFRDR-UHFFFAOYSA-N	438.465	4.280	5	1	IIBF