smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
NS(=O)(=O)c1cccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c1	28461669	XNUOPSCVQIFTCQ-UHFFFAOYSA-N	561.597	4.425	5	1	KIBF	
Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(Br)o1)Oc1ccc([N+](=O)[O-])cc1-3	72120154	XERLRWOCXYTJQZ-QHCPKHFHSA-N	549.337	4.440	5	1	KIBF	
CCCCOCCCNC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104967268	YNUJVYUQHZFCNO-QHCPKHFHSA-N	540.642	4.357	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587315128	PFJBEPYBBDDUKB-LMWQPGMKSA-N	710.113	4.350	5	1	KIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cc(C(=O)O)c(N)c12	587750422	IBVYAUWMXINDKC-ZZDSUILFSA-N	526.318	4.147	5	1	KIBF	
COc1ccc2c(c1OC)[C@]1(C[C@@H]3[C@H]([C@H](C)O)C(=O)N3[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2	962676627	LPTHLGOYNDXDSX-FXLWAHIFSA-N	683.636	4.248	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccccc1F	771633	YGSADHDGBGVOET-AHWVRZQESA-N	521.501	4.312	5	1	KIBF	
CC(C)C[C@@H](NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(=O)O	40863949	HXWAYWCIKBWVCS-GOSISDBHSA-N	510.550	4.270	5	1	KIBF	
COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCn3ccnc3)c2cc1OC	105139169	CFTYWFIORRIMIB-UHFFFAOYSA-N	576.658	4.430	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	4045882	VVYGCKCEIOMXFH-LMSSTIIKSA-N	578.622	4.146	5	1	KIBF	
CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1c[nH]c2ccccc12	4794358	HOTLKZVWSFTGIN-SVBPBHIXSA-N	509.566	4.335	5	1	KIBF	
CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C	29249401	SCWGFKWFVVXZHG-NRFANRHFSA-N	700.725	4.383	5	1	KIBF	
Cc1cc([N+](=O)[O-])nn1COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1	962924115	MYXLOKXLZCJQGD-AHWVRZQESA-N	516.510	4.322	5	1	KIBF	
COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1	767376	JYQPEBLUSUKMBQ-XNMGPUDCSA-N	535.553	4.080	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O	26818316	AOLQBHBDLWMQMX-YXRRNMOASA-N	589.689	4.415	5	1	KIBF	
O=[N+]([O-])c1cccc([C@@H]2N=C3NC4=C(C=C3c3nc(=S)[nH]c(O)c32)c2nc(=S)[nH]c(O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N4)c1	96907343	OPVCQBVTBURSLE-KDURUIRLSA-N	627.624	4.369	5	1	KIBF	
COc1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(OC)c([N+](=O)[O-])c1	587261018	PPHCNHHBVSCTHQ-UHFFFAOYSA-N	541.503	4.078	5	1	KIBF	
CO[C@@H]1[C@@H](N(C)C(N)=S)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	2356412013	FOUWKDQXQMBZFO-JWVWPMGASA-N	525.634	4.310	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	4081245	OHVLUTDHZVVGFR-ZWSUVBHBSA-N	525.945	4.207	5	1	KIBF	
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@H]4O[C@H](CO)[C@@H](OC)[C@@H](O)[C@@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O	11616972	JSKFWUPVIZYJMR-SHECXZOZSA-N	669.562	4.300	5	1	KIBF	
CC(C=CC=C(C)C=CC=C(C)C=C[C@H](OCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=C[C@@H](OCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O	2356521617	FYRKXPCNKQDFFH-WTBDNWBISA-N	985.218	4.418	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1	4153919	NWQXAXRNXWEKTK-VFHOHQAYSA-N	523.973	4.459	5	1	KIBF	
CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)s1	49802131	WJAUITICRDNWEX-QPLCGJKRSA-N	512.555	4.052	5	1	KIBF	
CO[C@H]1[C@@H](N(C)S(C)(=O)=O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	100906215	GGQAEINRBKFRGZ-HMUMIOIZSA-N	544.633	4.026	5	1	KIBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@@H](C(C)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715717	FYJPURJJRRXYHN-YTMVLYRLSA-N	574.678	4.345	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21	587730152	WXGFMDLWWWUMGZ-DAOPMYJZSA-N	541.345	4.156	5	1	KIBF	
COc1c(N2CCc3ccccc3[C@@H]2C(=O)NC(C)(C)C)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12	29123085	HHDGWMHNOQMSPK-HXUWFJFHSA-N	552.559	4.109	5	1	KIBF	
CN(C)CCOCCOC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104964544	LMCMQKWSDLKBKQ-VWLOTQADSA-N	627.720	4.035	5	1	KIBF	
CC(=O)O[C@H]1C[C@H](O)[C@H](C)O[C@@H]1[C@@]1(C)C(=O)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)cc5C)C(=O)[C@]4(C)[C@@H]1O[C@H](C)[C@H](O)C[C@H]1OC(C)=O)[nH]3	255263127	RQOFTLFCRJDAJR-LTPBOHCPSA-N	742.826	4.153	5	1	KIBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c([N+](=O)[O-])cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586911932	NDYZDTRLQBPRER-FNLUWMIBSA-N	658.749	4.284	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@H]1CCCCO1	26471488	OJNHWSSMYRKGLC-NLZHPIBLSA-N	611.629	4.128	5	1	KIBF	
O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	73164062	QVGMEGYJNBEWIO-RUZDIDTESA-N	525.552	4.250	5	1	KIBF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc1-2	587269226	IUPLNKPKHNONSW-UHFFFAOYSA-N	592.595	4.414	5	1	KIBF	
O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	45484781	GCCYRCAAUAUAHU-UHFFFAOYSA-N	509.927	4.493	5	1	KIBF	
NCCCCCCN(CC(N)=O)C(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1	49889423	JZCSDKICWYPJOF-UHFFFAOYSA-N	644.725	4.092	5	1	KIBF	
CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c(C(=O)N3CCc4ccccc4C3)s2)cc1[N+](=O)[O-]	84689789	SWTPJUPXZUBXRV-UHFFFAOYSA-N	511.503	4.339	5	1	KIBF	
COc1ccc(NC(=S)N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@H]23)OCO4)c([N+](=O)[O-])c1	473083016	MFSCNMUPYZESKU-QKHVDVHYSA-N	623.640	4.320	5	1	KIBF	
CCN1C=C[C@@]2(C(N)=C1)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963215790	NAKRRRVTEBQDAC-QXNWPYRLSA-N	613.583	4.314	5	1	KIBF	
COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	772361	IXEWKXDWURSVNB-BVAGGSTKSA-N	553.955	4.445	5	1	KIBF	
O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085265	QETOTGIDJBQRDX-XMMPIXPASA-N	519.627	4.104	5	1	KIBF	
CCN(CC)CCCNc1nc(N2CCN(C(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	105116479	QFITXZQCEAAHSG-UHFFFAOYSA-N	593.729	4.371	5	1	KIBF	
CNC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715745	UVICRDSFJQQDJY-IXCJQBJRSA-N	531.657	4.175	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)N(C)[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	49695078	WCYQJOVQMKACRB-RYJQUDHMSA-N	602.021	4.482	5	1	KIBF	
COC(=O)[C@]12O[C@](C(=O)OC)([C@H]3[C@H]4C[C@@H]([C@H]5C(=O)N(CCNC(=O)c6cccc7cc8ccccc8nc67)C(=O)[C@@H]45)[C@H]31)[C@@H]1[C@H]3C[C@@H]([C@@H]4C(=O)N(CCNC(=O)c5cccc6cc7ccccc7nc56)C(=O)[C@H]43)[C@H]12	253854866	TVFOSBXCWLIICB-PIKLUDGJSA-N	981.031	4.083	5	1	KIBF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	586957602	CMMXHUTVOYNBHQ-GDLZYMKVSA-N	571.567	4.314	5	1	KIBF	
CNC[C@@H]1C[C@@H]2[C@H](O[C@@H]3[C@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@]4(O)[C@H](O)C=C[C@@H]2[C@]34O)[C@@H](C2(c3ccc(O)cc3)CCCCC2)[C@H]1O	2356775886	PHDKXMNOSKUPMF-VRJXQNKPSA-N	790.910	4.445	5	1	KIBF	
COc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(=O)c5ccc(Br)cc5oc4c3)nn2)c(OC)c1	1857534615	JQBNUDPATURJJE-UHFFFAOYSA-N	581.379	4.241	5	1	KIBF	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=N1	103187849	UZZUBSRQNGQULP-DLBLZJNESA-N	530.993	4.436	5	1	KIBF	
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O	586996705	SXWUSMLADGPDTD-IOHSPMLXSA-N	683.443	4.346	5	1	KIBF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CCOCCOCCOCCOCCNc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[nH]c4c3)cc2)CC1	587266716	NJDVIIARAMOWAX-UHFFFAOYSA-N	734.811	4.100	5	1	KIBF	
COc1ccc([C@H](N2CCOCC2)N2[C@H](c3ccccc3)C[C@H](O)N2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	1772585091	XGXXDHXLVWTTJQ-DOEKTCAHSA-N	535.557	4.029	5	1	KIBF	
COc1cc2nc(N3CCC(Nc4ccc(C(=O)OC(C)(C)C)cc4[N+](=O)[O-])CC3)nc(N)c2cc1OC	27525799	LTGIWZWDCMXFMH-UHFFFAOYSA-N	524.578	4.174	5	1	KIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c([N+](=O)[O-])ccc(O)c1C(=O)c1c(O)ccc([N+](=O)[O-])c12	587748922	BQHNASAAHOFKBM-SECBINFHSA-N	544.289	4.186	5	1	KIBF	
COC(=O)[C@H]1CC[C@H](NC(=O)c2cccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)c2)CC1	621476546	RJNKNVMPCNMYMA-JCNLHEQBSA-N	501.495	4.010	5	1	KIBF	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](C[N+](=O)[O-])(C2CC2)N1C(=O)OCC1c2ccccc2-c2ccccc21	963218361	RRHCXVFKENUKBZ-MUAVYFROSA-N	604.528	4.351	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725849	LKQKUGXJPJQUPL-PMUGKQPMSA-N	561.591	4.496	5	1	KIBF	
C[C@H]1[C@H](c2ccccc2)NC(=O)N1S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1	73138347	RYPVVACAYYNYPM-LHSJRXKWSA-N	514.947	4.344	5	1	KIBF	
CC(C)=CC[C@H]1Cc2c(OCCCNC(=O)c3ccc([N+](=O)[O-])cc3)cc(=O)n(CCCO)c2CC1(C)C	1857572727	ZIEALTFDYNXTPH-QFIPXVFZSA-N	525.646	4.435	5	1	KIBF	
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	59785716	WGCQDMHAOQGVQC-ZEQKJWHPSA-N	540.498	4.415	5	3	KIBF	
Cc1cc(N(C)Cc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c([N+](=O)[O-])cc1F	587137333	VDGTWYZGFIREJG-UHFFFAOYSA-N	579.614	4.154	5	1	KIBF	
Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(Br)o1)Oc1ccc([N+](=O)[O-])cc1-3	72120155	XERLRWOCXYTJQZ-HSZRJFAPSA-N	549.337	4.440	5	1	KIBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@H](C2(c4ccc(O)cc4)CCCCC2)[C@@H]1O)[C@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@]3(O)CO	2356424866	XLJCDAIHLSHXPY-HYCBSGAZSA-N	766.888	4.281	5	1	KIBF	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N1	103167338	KBZTVVOTLXKMFY-FCKOQQNDSA-N	530.993	4.436	5	1	KIBF	
COc1cc2nc(N3CCN(CCNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCc3ccccc3)c2cc1OC	105128190	UFPLJLGJSIJWGA-UHFFFAOYSA-N	613.719	4.428	5	1	KIBF	
Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c(C)c1	587285061	JZBDACNDJXLWCW-CBECFOCPSA-N	706.100	4.018	5	1	KIBF	
O=C1CC[C@@H](N2C(=O)c3ccc(N4CCN(CCCO[C@H]5C[C@H](Oc6ccc7c(c6)Sc6cc([N+](=O)[O-])ccc6N7)C5)CC4)cc3C2=O)C(=O)N1	1911583554	OECPJMFABVRWAQ-OYPUMOIUSA-N	712.785	4.343	5	1	KIBF	
COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c6c([C@H](C)O)c([C@H](C)O)c1c(c23)c6c54	2356378391	ITORYMVXAXDEDN-UWVGGRQHSA-N	546.528	4.039	5	1	KIBF	
CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)c([N+](=O)[O-])c1	587208592	CEGITKGGJJEPBE-RUZDIDTESA-N	526.526	4.240	5	1	KIBF	
CN(C)CCn1[nH]c2c3cc(O)ccc3nc3c(C(=O)NCCN(C)CCNC(=O)c4ccc5c6c4nc4ccc(O)cc4c6[nH]n5CCN(C)C)ccc1c32	95606646	RPOGAIARGOTZEZ-UHFFFAOYSA-N	757.900	4.281	5	1	KIBF	
CN(C)CCOCCOC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104964911	HKYWFSMLPIMCGT-DEOSSOPVSA-N	627.720	4.035	5	1	KIBF	
CC[C@@H](COC)Nc1nc(N2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	105125771	URFSVQABMZLAKB-IBGZPJMESA-N	552.632	4.053	5	1	KIBF	
COc1cc2nc(N3CCC(CNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCN3CCCC3=O)c2cc1OC	105136108	YWYOVDJATQEQNL-UHFFFAOYSA-N	633.750	4.335	5	1	KIBF	
CC[C@H](C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O	95606656	ARFBLXMRIAVUIU-DZLPKPPSSA-N	852.043	4.272	5	1	KIBF	
O=C1[C@H]2[C@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl	29414005	ALWRYSHRLGINAM-ZIIBWEGUSA-N	550.953	4.277	5	1	KIBF	
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1Cc1ccc([N+](=O)[O-])cc1	473103014	NBOJHNOSLILTOL-RPWUZVMVSA-N	534.521	4.360	5	1	KIBF	
CCN(CCNC(=O)c1cccc2nc3cc(I)ccc3nc12)CCOc1cccnc1F	71295783	KZXYEPZMKXVBMM-UHFFFAOYSA-N	559.383	4.052	5	1	KIBF	
COc1ccc([C@H]2[C@H]3CSCN3[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	73219835	WISDMZFSRGRFNR-XISBPEQGSA-N	603.653	4.374	5	1	KIBF	
Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(O)c8c1c2c(c34)c(c78)c65	219581820	SSKVDVBQSWQEGJ-UHFFFAOYSA-N	506.422	4.478	5	1	KIBF	
CC[C@@]1(O)C[C@H]2C[C@](C(=O)OC)(c3cc(OC)cc4c3[C@@]35CCN6CC=C[C@@](CC)([C@H](OC(C)=O)[C@](O)(C(=O)OC)[C@@H]3N4C)[C@H]65)c3[nH]c4ccccc4c3CC[N@@+]([O-])(C2)C1	299807835	VUJJODOHYGFANA-VHYANJKXSA-N	826.988	4.004	5	1	KIBF	
COc1cc(-c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	587260667	AAJNCAOSAAYZAK-UHFFFAOYSA-N	530.585	4.155	5	1	KIBF	
COc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	73219829	WISDMZFSRGRFNR-JOXIKELKSA-N	603.653	4.374	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	253681603	BBJRXDZOCBYFCX-NJRQHTIISA-N	587.994	4.140	5	1	KIBF	
COc1cc2c(=O)n(CCN(C)P(=O)(OC)OC)c3c4cc5c(cc4ccc3c2cc1OC)OCO5	1857550922	NFRKJMFVHFWRFJ-UHFFFAOYSA-N	514.471	4.387	5	1	KIBF	
CCCCN(CCCC)CCNC(=O)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C	82082252	QBLLGLOZVCBTKL-JOCHJYFZSA-N	503.669	4.491	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNc1ncnc(Nc3ccc(S(C)(=O)=O)cc3)c1[N+](=O)[O-])C2	103232133	PLILOTGLZKBWAX-VBUUOAMHSA-N	532.623	4.122	5	1	KIBF	
COc1cc([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	963150134	QIMCRNSSVBYFLD-WIYYLYMNSA-N	591.620	4.163	5	1	KIBF	
CNC[C@@H]1C[C@@H]2[C@H](O[C@@H]3[C@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@]4(O)[C@H](O)C=C[C@@H]2[C@]34O)[C@@H](C2(c3ccc(O)cc3)CCCC2)[C@H]1O	2356350821	KEBKXFYGGYVZBT-ZPYXKJTMSA-N	776.883	4.055	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	14943273	AOLQBHBDLWMQMX-BANMPPSNSA-N	589.689	4.415	5	1	KIBF	
COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCn3ccnc3)c2cc1OC	105119309	ISGOPSLISFHPPX-UHFFFAOYSA-N	562.631	4.184	5	1	KIBF	
COc1ccc(CCNc2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3cccc([N+](=O)[O-])c3)n2)cc1	105163865	SWXYJQGZNJHGNU-UHFFFAOYSA-N	527.537	4.374	5	1	KIBF	
NC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCN(C(=S)Nc1ccccc1Cl)C2	1857585543	WXXQKOQIDQWOFI-UHFFFAOYSA-N	516.004	4.416	5	1	KIBF	
COc1cc([N+](=O)[O-])c(OC)cc1N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@H]12)OCO3	26389682	NMPLQQHLDSAFGY-OSHNXFFYSA-N	580.546	4.151	5	1	KIBF	
COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	96935114	DQITUFSGGKEULZ-UHFFFAOYSA-O	543.577	4.453	5	1	KIBF	
COC(=O)[C@]12O[C@](C(=O)OC)([C@H]3[C@@H]1[C@H]1C[C@H]3[C@@H]3C(=O)N(CCNC(=O)c4cccc5cc6ccccc6nc45)C(=O)[C@H]31)[C@H]1[C@@H]2[C@H]2C[C@H]1[C@H]1C(=O)N(CCN=c3c4ccccc4[nH]c4ccccc34)C(=O)[C@@H]21	377825252	RAGYIMOMMQPFED-VEUWAZOUSA-N	953.021	4.187	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3C(=O)c4ccccc4N/C3=C/N3CCOCC3)c2c1	587620271	BIYNFYRYUHLKJN-ONUIUJJFSA-N	604.645	4.397	5	1	KIBF	
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587658421	PUUXYJQSGQJFKX-UHFFFAOYSA-N	514.510	4.270	5	1	KIBF	
COC(=O)c1n[nH]c(-n2cccc2[C@@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)n1	963237353	OEVJKSWSCYNTAL-AZGAKELHSA-N	695.601	4.254	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	4055968	CPFKRFKLUBYDDC-YQIFXUADSA-N	539.972	4.077	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-]	586941015	MPAAFYQWASXYNB-UHFFFAOYSA-N	525.328	4.453	5	1	KIBF	
CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587205755	TYGZZZVSHKCCCY-LESHARBVSA-N	655.506	4.255	5	1	KIBF	
COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(C(=O)O[C@@H](C)Cn4c([N+](=O)[O-])cnc4C)cc3)C2)cc1	653791427	XRWHSRBIHREGDO-FYSMJZIKSA-N	505.531	4.051	5	1	KIBF	
CC[C@H](COC)Nc1nc(N2CCC(CNC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	105136494	XUOHKXDGTBZAOB-HXUWFJFHSA-N	566.659	4.347	5	1	KIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(CCN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1	1772575335	SDUVONFSNBMHSM-UHFFFAOYSA-N	576.498	4.485	5	1	KIBF	
CN(C)c1cccc2c(S(=O)(=O)NC[C@@H](OC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccc(OS(=O)(=O)O)cc3)cccc12	84672164	USXUAUYEVOBQCH-RUZDIDTESA-N	630.657	4.264	5	1	KIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c1)[C@@H](C2)C3=O	587447458	AHTURKISQCMUAK-BVZFJXPGSA-N	511.508	4.177	5	1	KIBF	
CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c([C@]3(C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)CC1	962730533	NXGFOTXKTGLJCA-SQJMNOBHSA-N	519.520	4.284	5	1	KIBF	
CC(C=CC=CC=CC=CC=CC=C(C)C(=O)N[C@H](CC(N)=O)C(=O)O)=C[C@@H]1N=C(C=Cc2ccc[nH]2)O[C@H]1C	2356716548	QGRNAHRIQLDWFF-DOEKTCAHSA-N	544.652	4.332	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	4055970	CPFKRFKLUBYDDC-VFHOHQAYSA-N	539.972	4.077	5	1	KIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	82170375	SYLBEXNEKUBWKT-ZIAGYGMSSA-N	620.506	4.109	5	1	KIBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@H](C(C)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715720	FYJPURJJRRXYHN-XRKRLSELSA-N	574.678	4.345	5	1	KIBF	
CCN(CC)CCCNc1nc(N2CC[C@@H](NC(=O)CCCc3ccc([N+](=O)[O-])cc3)C2)nc2cc(OC)c(OC)cc12	105133597	UGCUGVGOPKOOQE-HSZRJFAPSA-N	593.729	4.417	5	1	KIBF	
COC(=O)c1cc(C[C@H](C)CN2C[C@@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1	299806540	XCUHKPSXGQGWCF-YAGSXNBFSA-N	620.747	4.434	5	1	KIBF	
COc1ccc(CCNc2ccc([C@@H](CC(N)=O)NC(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])cc1	17577161	DYNKWWYXPRMXOF-JOCHJYFZSA-N	541.402	4.367	5	3	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCOc1ccccc1	4153677	UQVSQOOPGNSJAR-AHKZPQOWSA-N	535.553	4.298	5	1	KIBF	
CO[C@H]1[C@@H](N(C)CC(=O)O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	27326567	WKZTVBCDQYBGBO-SZGTYURGSA-N	524.577	4.151	5	1	KIBF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@]1(C)c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1	961948343	GNUUXIXJJLFSFE-UJHKNFJSSA-N	640.668	4.268	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCOc1ccccc1	4153675	UQVSQOOPGNSJAR-XNMGPUDCSA-N	535.553	4.298	5	1	KIBF	
COc1cc2c(cc1OC)CN(CCn1cc(COc3ccccc3C(=O)Nc3ccc([N+](=O)[O-])cc3)nn1)CC2	1772610700	RSQNTVHEMXDATL-UHFFFAOYSA-N	558.595	4.093	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C[C@@H]12	26287656	QZEHJMDBYIXFQS-DSITVLBTSA-N	590.637	4.018	5	1	KIBF	
CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](CC(=O)c1cccc([N+](=O)[O-])c1)(C(=O)OC)N2C(=O)OC(C)(C)C	962713004	SAUSJAOHRCGPIF-VSGBNLITSA-N	556.543	4.026	5	1	KIBF	
O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2ccc(I)c([N+](=O)[O-])c2)N1	962918974	AFRFGXQHHOPHHG-PZJWPPBQSA-N	532.290	4.386	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(CC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)CC1)C2	1772630245	JZARZSBBJHZTMT-QGZVFWFLSA-N	524.599	4.318	5	1	KIBF	
Cc1nn2c(O)cc(C3(C)CCN(S(=O)(=O)c4c(F)cccc4F)CC3)nc2c1-c1ccc([N+](=O)[O-])cc1	1772646231	SNGDUNGXBMKDNT-UHFFFAOYSA-N	543.552	4.339	5	1	KIBF	
CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)N(C)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169305031	WCYQJOVQMKACRB-AYEHBTSNSA-N	602.021	4.482	5	1	KIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c1	587263579	VGSZIFSIZLNCOQ-UHFFFAOYSA-N	542.640	4.443	5	1	KIBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@]1(C[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1[N+](=O)[O-]	963666799	LQPAQIDNCDSQCV-PATNEQDSSA-N	601.656	4.233	5	1	KIBF	
O=C1NCc2c1c1c3cc(Br)ccc3n3c1c1c2c2cc(CN4CCOCC4)ccc2n1C[C@@H](CO)C3	28819551	OWDLMJGOBWCKME-QGZVFWFLSA-N	559.464	4.363	5	1	KIBF	
Cc1noc2c(-c3ccc([N+](=O)[O-])cc3)nn(CCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)c12	35080169	PXZZPOKDABNTPC-UHFFFAOYSA-N	508.966	4.134	5	1	KIBF	
COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c6c([C@@H](C)O)c([C@H](C)O)c1c(c23)c6c54	2356378390	ITORYMVXAXDEDN-AOOOYVTPSA-N	546.528	4.039	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(F)cc1	4152757	KZEIPHTYMGEICR-RSXGOPAZSA-N	521.501	4.312	5	1	KIBF	
Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)ccc3n(C)c12	26278325	JBAARTHDSQEBIF-XMMPIXPASA-N	605.692	4.143	5	1	KIBF	
O=C(O)COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	963029363	YOHFMFVJCSTPAB-BWKNWUBXSA-N	549.923	4.434	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC	4052180	RFYLMOHIAKVNDJ-IGKIAQTJSA-N	535.553	4.080	5	1	KIBF	
C[N@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8[C@]9(CC[N@+]8(C)C/C7=C\CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@@H]54)[C@@H]69	253750064	IIYHWTVUYIYKKG-VERFBVJQSA-N	614.834	4.363	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21	587727573	OGOWIBFHUHFVMH-MYODQAERSA-N	541.345	4.156	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1	104397059	BQBOHWRUTCPNKL-SNHGZMDHSA-N	515.408	4.233	5	3	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1	4154185	JGFLMZZKJSYOEY-LMSSTIIKSA-N	579.606	4.479	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3c(Br)cnc(Br)c3[nH]2)c([N+](=O)[O-])c1	587266998	RGZUASLPWWBNQD-UHFFFAOYSA-N	662.292	4.020	5	1	KIBF	
COc1cc2c3c(c1)O[C@](C(=O)N1CCN(Cc4ccccc4)CC1)(c1c[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O	587433120	OCQTVBCDIOQNRT-DLLPINGYSA-N	552.587	4.072	5	1	KIBF	
O=[N+]([O-])c1ccc(N2CCN(CCN3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)CC2)c(C(F)(F)F)c1	1772604311	QYRIRLQFUVELKP-UHFFFAOYSA-N	576.498	4.485	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)(C)C	26477657	AESYVSHNVIKHAX-BSSRNLCFSA-N	583.619	4.400	5	1	KIBF	
CC1=C([C@H](O)CO)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)C([C@H](O)CO)=C3C	35973854	GAVJVYKTGGHFIM-LOYHVIPDSA-N	630.698	3.534	5	1	KIBF	
O=C(NCc1ccc2c(c1)OCO2)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1	105163618	KFPAJVKOQMYNBJ-UHFFFAOYSA-N	527.493	4.051	5	1	KIBF	
COC(=O)CCc1c(CC(=O)OC)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)c(CCC(=O)OC)c5CC(=O)OC)[C@]1(CCC(=O)OC)OC(=O)C[C@]41C)[C@]1(CCC(=O)OC)OC(=O)C[C@]31C	150350600	XNPGYRZJCVZZGS-UYVQAEDUSA-N	942.972	4.064	5	1	KIBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@]1(c1cccc(F)c1)c1cccc([N+](=O)[O-])c1	963665025	FUCZAZUUVNCMEO-QYDYLWNGSA-N	555.562	4.139	5	1	KIBF	
CC(=O)c1ccc(NC(=O)[C@@H](C(C)C)N(C(=O)c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1772579538	ZQLKTWIDGKIZGL-XMMPIXPASA-N	523.567	4.292	5	1	KIBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169363111	UZLXDTRAHGCODD-LLYXJFIKSA-N	804.894	4.359	5	1	KIBF	
CCc1ccccc1[C@H]1CCN(Cc2cccnc2)[C@@H](c2ccc(O)c(NS(C)(=O)=O)c2)[C@@H]1[N+](=O)[O-]	40602020	YSYDMRXRGPKHAF-ZSQFBXSQSA-N	510.616	4.097	5	1	KIBF	
Cn1cccc1CN1CCC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)C1	1857549559	GKXSRGOANBHRIO-UHFFFAOYSA-N	507.538	4.415	5	1	KIBF	
C=CC(=O)Nc1cccc(-n2c3nc(Nc4ccc(N5CCN(C)CC5)cc4OC)ncc3c(=O)n3c4ccccc4nc23)c1	205870476	SHPNSBFEVVBACD-UHFFFAOYSA-N	601.671	4.210	5	1	KIBF	
O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	775106	JXYYBCMPBMELSN-INIZCTEOSA-N	505.458	4.118	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC	4036586	MHAQVZMDXDYNAH-BDYUSTAISA-N	518.570	4.347	5	1	KIBF	
O=[N+]([O-])c1ccccc1[C@H]1N=C2NC3=C(C=C2c2nc(=S)[nH]c(O)c21)c1nc(=S)[nH]c(O)c1[C@@H](c1ccccc1[N+](=O)[O-])N3	96907339	ZCOSAZBTRARBBE-RTBURBONSA-N	627.624	4.369	5	1	KIBF	
O=C1C(=O)N(CCSC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccc([N+](=O)[O-])cc21	98082274	RHFIWHOCSGMWDS-UHFFFAOYSA-N	525.439	4.271	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3C3=NOC[C@H]3[C@@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)OCO4)cc(OC)c1OC	103211153	PCUVWUZPOAQNQQ-LZYPDUGYSA-N	562.531	4.205	5	1	KIBF	
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	1857754267	OTDXGNSXRAMTHD-UHFFFAOYSA-N	590.481	4.011	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC	4041770	FGXCVRSPXCSJED-XNMGPUDCSA-N	536.560	4.268	5	1	KIBF	
CC(C)(C)OC(=O)NC1[C@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)c3sc5ccccc5n34)C[C@H]12	101143386	WUTZJFPYEQMVCP-KBPBESRZSA-N	509.559	4.464	5	1	KIBF	
CCC1=NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(N)=O	169716139	XIIKDAODIFECTH-HEVIKAOCSA-N	666.823	4.462	5	1	KIBF	
O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(N1)c1cccc3c1N(CCC3)C(=O)[C@H]2C(=O)Nc1cccc([N+](=O)[O-])c1	962697112	LBVQVISQWWVEKG-JWZKTCGFSA-N	598.509	4.143	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	43910439	AOLQBHBDLWMQMX-VWBULWKWSA-N	589.689	4.415	5	1	KIBF	
C[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@]9(CC[N@+]8(C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69	253655001	IIYHWTVUYIYKKG-CFZVKOJWSA-N	614.834	4.363	5	1	KIBF	in-vivo
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(Br)c(F)c3[nH]2)c([N+](=O)[O-])c1	587265625	GOBKWOHLVZTFDL-UHFFFAOYSA-N	600.398	4.002	5	1	KIBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)c2cc(OC)ccc2CCN1C(C)C	962094017	VKQGFQZVFKELOW-NKPLSRDGSA-N	500.592	4.044	5	1	KIBF	
COc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC	1861048	UZIJCQQPNFGRQR-BLJGQIRFSA-N	510.524	4.122	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	26381834	WXLNRUKBXQNLCU-LVEBQJTPSA-N	565.491	4.042	5	1	KIBF	
COc1cc2oc3c(S(=O)(=O)NC[C@@H](C)c4ccccc4)c(OC)cc(OC)c3c(=O)c2cc1OC	49112743	CVHISGFZCZGFIK-OAHLLOKOSA-N	513.568	4.063	5	1	KIBF	
COc1cc2oc3c(O)c4ccc5cc6c(c(O)c5c4c(O)c3c(=O)c2cc1OC)C(=O)N1CCO[C@@]1(C)C6	83922141	HKGLETKFBVSBOX-LJAQVGFWSA-N	529.501	4.131	5	1	KIBF	in-vitro
COc1cc2c(c(O)c1[C@@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@H]1C(C)(C)O)c(=O)c1ccc(O)c(OC)c1n2C	85907209	CWDCMHOLSPPPAS-OSPAZUARSA-N	670.671	4.209	5	1	KIBF	endogenous,in-man
Cc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br	587267109	UCXFUFKMJZQWNR-UHFFFAOYSA-N	596.435	4.171	5	1	KIBF	
CCOC(=O)[C@]1(CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)N[C@H](C)Cc2cc(Br)c(F)cc21	587749054	ZZTSPEUFTJPXJF-VERVWZFWSA-N	509.328	4.076	5	1	KIBF	
CC(=O)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4c(CC(=O)O)cc([N+](=O)[O-])cc4n3O)cc2)cc1	49110747	QPNOEIWVECUUQV-NYYWCZLTSA-N	500.467	4.330	5	1	KIBF	
O=C1CC2(Oc3c1ccc1c3CCCC1)c1c(O)ccc([N+](=O)[O-])c1C(=O)c1c([N+](=O)[O-])ccc(O)c12	587510423	AMGONIVIDZUQTL-UHFFFAOYSA-N	502.435	4.246	5	1	KIBF	
COC(=O)[C@H]1CC[C@H](NC(=O)c2ccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)cc2)CC1	621476547	RKNDEGFFXOAMSZ-QAQDUYKDSA-N	501.495	4.010	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4208248	YNZAQYQNPRXGIO-UWSIMGETSA-N	575.018	4.483	5	1	KIBF	
CC(C)(C)c1cccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	587266656	MKZHCPKBKZRLEI-UHFFFAOYSA-N	559.620	4.398	5	1	KIBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@@](=O)(Oc4ccc([N+](=O)[O-])cc4)OP(=O)(O)O)C=C[C@@]31CCN(C)C2	49679711	QHAJPODVYRAMGA-GMPAQCIJSA-N	568.412	4.079	5	1	KIBF	
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C=N2	1772652738	NRNZWWIAWRTUSC-SANMLTNESA-N	533.548	4.114	5	1	KIBF	
COc1c(N2CCC(O)(c3ccc(Cl)cc3)CC2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12	29123714	FLISMERKNYAGNB-UHFFFAOYSA-N	531.924	4.232	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C[C@@H]2COc3ccccc3O2)[C@@H]1c1cccc([N+](=O)[O-])c1	29204222	JBGWBMCVMVJNTC-NLHYWVHXSA-N	537.569	4.158	5	1	KIBF	
CCCCNS(=O)(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1	586949557	YOBBBRIHRQVIFM-UHFFFAOYSA-N	543.627	4.326	5	1	KIBF	
CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)CC1	586957348	ZISYFONZGMNYOD-UHFFFAOYSA-N	638.658	4.365	5	1	KIBF	
CC1=C([C@@H](O)CO)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)C([C@@H](O)CO)=C3C	58528857	GAVJVYKTGGHFIM-KYJUHHDHSA-N	630.698	3.534	5	1	KIBF	
COC(=O)c1cc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1	299806539	XCUHKPSXGQGWCF-KDLQGFRMSA-N	620.747	4.434	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)CC[C@@H]3C[C@H]([C@H](C(O)O)C4(c5ccc(O)cc5)CCCCC4)O[C@@H]1[C@]32O	2356764881	UFPJQHFBANWYGK-OGHYBQKVSA-N	739.818	4.154	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCN(C)c1ccccc1	4079888	MQNYSRUZSMSALC-IXCJQBJRSA-N	546.580	4.457	5	1	KIBF	
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3cccc([N+](=O)[O-])c3)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	5616026	OSNQMLDRHAFGFD-XELASAAXSA-N	520.494	4.134	5	1	KIBF	
CCCCOCCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086189	YRYDASYGZPGONW-NRFANRHFSA-N	527.599	4.393	5	1	KIBF	
COc1cc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)ccc1OCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1	98083466	PDYHOMAQWRSKFR-AREMUKBSSA-N	571.550	4.428	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725854	LKQKUGXJPJQUPL-RZNYTTDSSA-N	561.591	4.496	5	1	KIBF	
CCC/C=C/C=C/C(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)/C=C/C=C/CCC	33822397	UCNFOTFQFNWWMI-LYOLDJLYSA-O	502.565	4.106	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587288972	MZPSZTGBXUGYTM-HJSWHDQHSA-N	727.597	4.357	5	1	KIBF	
CN1CCN(c2cc(C(F)(F)F)cnc2[C@]2(c3ccc([N+](=O)[O-])cc3)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)CC1	963687015	MSDGPJIQUHYMBD-SVFJEUMRSA-N	704.706	4.166	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)ccc3O)c(CC(=O)O)c2c1	587619625	KVNIGPSHMUJAJK-UHFFFAOYSA-N	515.475	4.024	5	1	KIBF	
CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](C)(C)C)cc4)cc3)cc2n(CCC)c1=O	13678756	OLFCLNQNUIIWPM-UHFFFAOYSA-O	518.638	4.193	5	1	KIBF	
COc1cc2nc(N3CCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCc3ccco3)c2cc1OC	105116000	JAOLFMXQTNFWAH-UHFFFAOYSA-N	560.611	4.432	5	1	KIBF	
CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(N)cc1	28352004	GOKWKRPSLDTITG-NDEPHWFRSA-N	655.774	4.496	5	1	KIBF	
NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1	28468381	FJWDQDFFNNIYIC-UHFFFAOYSA-N	561.597	4.425	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])cc1	103208597	QRNHROKBYYKACJ-AJHZIAPWSA-N	533.489	4.037	5	1	KIBF	
CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O	261519281	JILJATPHTFGSNK-UFNNEXNQSA-N	925.166	4.470	5	1	KIBF	
CSN1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@@H]1N(OCc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1	653742659	LDVANXLCUXLORA-BJKOFHAPSA-N	604.563	4.198	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	772365	CLIZDUJGVQAELN-RSXGOPAZSA-N	553.955	4.445	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1	4204530	AAQYYDKGMSZXAT-YTMVLYRLSA-N	579.606	4.479	5	1	KIBF	
CCOC(=O)CCc1c(-c2ccccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620478	CRGRKGYRXXIYNK-UHFFFAOYSA-N	524.555	4.443	5	1	KIBF	
COc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(=O)c5cc(Br)ccc5oc4c3)nn2)cc1OC	1857556256	WOGIKXOBQUSFCI-UHFFFAOYSA-N	581.379	4.241	5	1	KIBF	
O=C1[C@H]2[C@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	148620811	ALWRYSHRLGINAM-VAXLJCBTSA-N	550.953	4.277	5	1	KIBF	aggregator
CC(=O)O[C@@H]1[C@H](C)O[C@H](n2ccc3c(C)c4nc5ccc(O)cc5c4c(C)c3c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	377376558	AOYYJQCFKBFHRE-JMCXNUFOSA-N	534.565	4.378	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	4056068	QAZALSJOCLSJCI-HNKPZJSLSA-N	558.975	4.194	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccccc1F	4154960	YGSADHDGBGVOET-AOYPEHQESA-N	521.501	4.312	5	1	KIBF	
CN(C)C(=O)c1ccc(CC[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCC2=O)cc1	13587514	FICBVOCIAZKXSG-RUZDIDTESA-N	515.566	4.493	5	1	KIBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(Br)cc2[nH]1	587264932	QJJOCNKFKKOLBK-ZIDLFYJRSA-N	515.118	4.438	5	1	KIBF	
CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C	963146241	NSZWKCPENGQKHD-YJBOKZPZSA-N	516.532	4.045	5	1	KIBF	
CC(C)(C)OC(=O)N1CC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)C1	1772637211	FDCFIDNVYCRTMA-UHFFFAOYSA-N	500.499	4.421	5	1	KIBF	
O=C(CCN1CCCCC1)Nc1ccc2c(=O)c3ccc(NC(=O)CCN4CCCCC4)cc3[nH]c2c1	28393923	SIFRIGLNJULFCF-UHFFFAOYSA-N	503.647	4.310	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	73219848	IWIDWVCTAPKWBY-QYDRJVAWSA-N	543.601	4.357	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3cc(C(F)(F)F)ccc3=O)c2c1	587619944	MOSUDYTUAYWLMT-UHFFFAOYSA-N	522.461	4.364	5	1	KIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1	587867588	AFJYWBJWRZSORE-UHFFFAOYSA-N	506.828	4.467	5	1	KIBF	
COc1cc2c(cc1OC)[C@H](c1cn3cccc([N+](=O)[O-])c3n1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2	963780330	XQJWLNOQIAUWMQ-RUZDIDTESA-N	525.521	4.098	5	1	KIBF	
CCCCOCCCNC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104967597	WIJNPGVQCBIDHN-JOCHJYFZSA-N	540.642	4.357	5	1	KIBF	
COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104964582	RWNVHAHJJCNGBO-FQEVSTJZSA-N	526.571	4.086	5	1	KIBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(COc5ccc([N+](=O)[O-])c(F)c5)[nH]c4c3)cc2)CC1	587148164	DGCXKRXFUDYQHE-UHFFFAOYSA-N	532.576	4.231	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@@H]1CCCCO1	26493695	RODAYEWQVPDDPA-CLOMRRMMSA-N	625.656	4.170	5	1	KIBF	
C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	95868931	IRKUNQWGDWYEPQ-IEOSBIPESA-N	620.728	4.432	5	1	KIBF	
COc1ccccc1CNc1nc(N2CC[C@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])C2)nc2cc(OC)c(OC)cc12	105132548	LGUDVDHRZMKLGW-FQEVSTJZSA-N	572.622	4.493	5	1	KIBF	
O=C(CCN1CCCC[C@@H]1CCO)Nc1ccc2c(O)c3cc(NC(=O)CCN4CCCC[C@@H]4CCO)ccc3nc2c1	169723117	JCDJTQVXTSHHLI-CLJLJLNGSA-N	591.753	4.225	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587569578	RIBPFVFQSVYZNB-IDISGSTGSA-N	539.468	4.039	5	1	KIBF	
CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1NC(=O)OC(C)(C)C	587620925	KQHNINCXUHMRSQ-UHFFFAOYSA-N	548.574	4.338	5	1	KIBF	
COC(=O)[C@H](N)Cc1ccc(Oc2ccc(O[C@H]3[C@@H](n4cnc5c(N)ncnc54)O[C@H]4CO[P@@](=O)(O)O[C@H]43)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)cc1	587944191	ZNUXNBCKTUQQOL-GFBYWFCYSA-N	819.494	4.013	5	1	KIBF	
CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	586949787	ZKGBNNZMPYUXCI-UHFFFAOYSA-N	516.507	4.494	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccc([N+](=O)[O-])cc3)c2c1	587621050	MPPXDBXZYIYWQU-UHFFFAOYSA-N	510.484	4.333	5	1	KIBF	
CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(C(=O)O[C@H](C)Cn4c([N+](=O)[O-])cnc4C)cc3)C2)cc1	653792940	RJQSBCKLTGILQO-CRICUBBOSA-N	519.558	4.442	5	1	KIBF	
CN(C)CCOC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104964928	QDZHNNNAYZDIAH-QFIPXVFZSA-N	583.667	4.018	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Sc4ccc(Br)cc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587315859	TWNZOSMXBGMOTQ-BIUVMLSKSA-N	754.564	4.459	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1	587667653	OPDDJLQNBYLXJX-KRWDZBQOSA-N	504.547	4.238	5	1	KIBF	
COc1ccc([C@@H](CC(=O)NCCNC(=O)Cn2cc([N+](=O)[O-])cn2)c2c(O)cc3c(c2O)C(=O)O[C@H](C)CCCC(=O)CCCC=C3)cc1	2356858604	AHHFXMRWYOVTCM-SKCUWOTOSA-N	691.738	4.148	5	1	KIBF	
CC1=C(C(=O)OCC(Br)(Br)Br)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1CCCC(=O)O	72137766	MNFRVPPMNJKMNY-OAHLLOKOSA-N	628.068	4.182	5	3	KIBF	
CCCNC(=O)N1[C@@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@@H]1CN(CC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	203473745	CCZCQGKZJYCBIC-OHSXHVKISA-N	556.685	4.121	5	3	KIBF	
CC(C)=CCc1c2c(=O)c3c(O)ccc(O)c3c(O)c-2c2c(=O)c3c(O)cc([C@@H](O)CC=C(C)C)c(O)c3c(=O)c1=2	85860706	IJOMBGMKPBTOCU-INIZCTEOSA-N	556.567	4.205	5	1	KIBF	biogenic,in-vitro
O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1	104954575	AEFMLBVPPKXLSN-QFIPXVFZSA-N	533.654	4.351	5	1	KIBF	
O=C(O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577897	UOMMSUMYJUBNEE-DFHRPNOPSA-N	509.426	4.448	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)(C)C	26480956	VAKKSARVQTZBHL-GPSDDGMOSA-N	569.592	4.357	5	1	KIBF	
COc1cc2nc(N3CCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCc3ccco3)c2cc1OC	105115941	DTAHJDGGRMPVCE-UHFFFAOYSA-N	532.557	4.031	5	1	KIBF	
COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cnn(-c2ccccc2)c1C	587620449	CCBGDYHEVUGNFU-UHFFFAOYSA-N	589.586	4.397	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@H]1CCCCO1	26471495	OJNHWSSMYRKGLC-MMJKOSAZSA-N	611.629	4.128	5	1	KIBF	
Cc1noc2c(-c3ccccc3[N+](=O)[O-])nn(CCCN3CCN(c4cccc(Cl)c4)CC3)c(=O)c12	35080222	DGEOHXUOAUSOGR-UHFFFAOYSA-N	508.966	4.134	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@@H](CO)C3(c4ccc(O)cc4)CCCCC3)O[C@H]12	2356773983	NZSIVOFSFFDODY-JSVJSTMMSA-N	697.781	4.447	5	1	KIBF	
O=C(N[C@H](Cc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82080984	ZGPJXHZZFACGNG-JOCHJYFZSA-N	502.552	4.240	5	1	KIBF	
CCCCN(CCCC)CCNC(=O)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C	82082253	QBLLGLOZVCBTKL-QFIPXVFZSA-N	503.669	4.491	5	1	KIBF	
Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N@@+](C)(Cc4ccc(O)cc4)C3)cc2)n1	254100332	BBZAUBUMPUAXPU-IRCRTQETSA-O	585.685	4.114	5	1	KIBF	
CC[C@@]1(O)C[C@H]2C[C@](C(=O)OC)(c3cc(OC)cc4c3[C@@]35CCN6CC=C[C@@](CC)([C@@H](OC(C)=O)[C@](O)(C(=O)OC)[C@@H]3N4C)[C@H]65)c3[nH]c4ccccc4c3CC[N@@+]([O-])(C2)C1	299807833	VUJJODOHYGFANA-FUNPBPEQSA-N	826.988	4.004	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c([N+](=O)[O-])c1	587267373	XQIAAKAULWRWNL-UHFFFAOYSA-N	573.937	4.032	5	1	KIBF	
COc1cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2	1857538659	AHLGXXFUFAORSH-UHFFFAOYSA-N	540.576	4.144	5	1	KIBF	
COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c2nc3cccc(F)c3c(=O)n12	53276058	XUWNJSIFMUTIRM-UHFFFAOYSA-N	501.566	4.146	5	1	KIBF	
COc1ccc(CCC[N@@+]2(CCCc3ccccc3)CCC[C@@H](NC(=O)c3nc(Cl)c(N)[nH]c3=N)C2)cc1	473135671	RJZUXHZQSWKSTP-JRTUOMDPSA-O	538.116	4.108	5	1	KIBF	
COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cn(C)c2ccccc12	587620979	MTFLMXJRDYNAKD-UHFFFAOYSA-N	562.560	4.395	5	1	KIBF	
NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3cnc4ccccc4c3)nc3cc4ccccc4cc3c2=O)cc1	1857631488	XWWMKFBPGTZJND-UHFFFAOYSA-N	567.652	4.465	5	1	KIBF	
CC(C)[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12)c1nc2ccccc2[nH]1	2356821926	WYIMPPSRXTWMJR-UGJFUMHSSA-N	552.635	4.311	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cc(OC)ccc1OC	4154145	VIFDXNXWZUPYRG-XTEPFMGCSA-N	563.563	4.190	5	1	KIBF	
CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712076	OZTOIYZZDUSMMR-CYBWEPMMSA-N	569.592	4.357	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccn(C)n3)c(C(=O)C(F)(F)F)c2c1	587619159	BLYHYYNUYPWOGQ-UHFFFAOYSA-N	523.449	4.031	5	1	KIBF	
COC(=O)[C@H](N)Cc1ccc(Oc2ccc(O[C@@H]3[C@@H]4O[P@](=O)(O)OC[C@@H]4O[C@H]3n3cnc4c(N)ncnc43)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)cc1	587944195	ZNUXNBCKTUQQOL-JKDHSURNSA-N	819.494	4.013	5	1	KIBF	
CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715728	HHXHWBGCTREPSZ-URLMMPGGSA-N	604.704	4.319	5	1	KIBF	
CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O	261519280	JILJATPHTFGSNK-SQXXVLOLSA-N	925.166	4.470	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	772626	VHCJEBUVTCGLJQ-UPVQGACJSA-N	510.934	4.256	5	1	KIBF	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1	4051901	YTFQPAPVCDUTKK-WEYGHZABSA-N	514.966	4.466	5	1	KIBF	
N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587180512	KAEUPPJCVAPHHL-SNVBAGLBSA-N	628.990	4.391	5	1	KIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cc(C(=O)O)c(N)c12	587751474	MWSUHZKDUYHKRL-ZZDSUILFSA-N	526.318	4.147	5	1	KIBF	
CNC[C@@H]1C[C@H]2[C@H](O[C@H]3[C@@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@@]4(O)[C@@H](O)C=C[C@@H]2[C@@]34O)[C@]2(CC[C@@H]3CCC[C@@]32c2ccc(O)cc2)[C@H]1O	2356656417	TZIFYMOUSRXOQR-ZZAGKOGVSA-N	802.921	4.445	5	1	KIBF	
O=C(CCCCCN1CCN(Cc2ccc(-c3cc4c(NCc5ccccc5)ncnc4[nH]3)cc2)CC1)NO	138907454	ZDOXGAYQHPLSBX-UHFFFAOYSA-N	527.673	4.420	5	1	KIBF	
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N@+](C)(Cc3ccc(O)cc3)C2)s1	253633730	MXCOVFAJNYVLIQ-JIBDOJIMSA-O	595.742	4.383	5	1	KIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C	587868078	FXIPNICZBSOTPH-UHFFFAOYSA-N	500.437	4.431	5	1	KIBF	
COc1cc2c(cc1OC)[C@@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)N(C(=O)c1ccccc1N)CC2	963137162	IABVGMMKOVBZID-DEOSSOPVSA-N	537.960	4.473	5	1	KIBF	
CNC[C@@H]1C[C@H]2[C@H](O[C@H]3[C@@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@@]4(O)[C@@H](O)C=C[C@@H]2[C@@]34O)[C@]2(CC[C@@H]3CCC[C@@]32c2ccc(O)cc2)[C@@H]1O	2356656415	TZIFYMOUSRXOQR-HRMKPZFCSA-N	802.921	4.445	5	1	KIBF	
C[C@@H](n1cnc2cc(-c3ccc([N+](=O)[O-])cc3)sc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	29545605	GCGZUPIIAOHOQI-JBEBIEQOSA-N	524.509	4.052	5	1	KIBF	
COc1ccccc1CNc1nc(N2CCN(CCNC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	105127717	SFEJNVVVFAWGGX-UHFFFAOYSA-N	615.691	4.036	5	1	KIBF	
C[N@@+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N@@+]4(C)CCCC[C@H]4CCO)ccc2-3)CCCC[C@H]1CCO	261171284	SZVDRBYYPUPHQW-FJXVCLGLSA-P	606.808	4.318	5	1	KIBF	
CCOC(=O)[C@@H]1CSCN1C(=O)[C@@H]1[C@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@+]2(C)Cc1ccccc1	253643976	DGXPJTBCIKJVEC-WPWUIAARSA-N	501.072	4.091	5	1	KIBF	
COc1cc2c(cc1OC)[C@](C)(c1ccc(OC)c(OC)c1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2	963134548	CKGYJFSROTZWJX-MHZLTWQESA-N	507.543	4.173	5	1	KIBF	
CN(C)CCNc1ccc(C(=O)NCCN(C)CCNC(=O)c2cc(NCCN(C)C)c3c(=O)c4ccccc4[nH]c3c2)c2nc3ccccc3c(O)c12	26832832	JNKXXSRTKJKQPR-UHFFFAOYSA-N	731.902	4.127	5	1	KIBF	
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587323021	XYQOYESRADOBAH-JWTLGFJCSA-N	936.831	4.342	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1	17577056	UGLLJAXJEAGFDC-JOCHJYFZSA-N	543.393	4.426	5	3	KIBF	
CC(=O)[C@]1(O)Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)O2)C1	26292934	MPXCAHIOXDLGIB-MKPREEDWSA-N	714.602	4.292	5	1	KIBF	
COc1cc2oc3c(S(=O)(=O)N4CC=C(c5ccccc5)CC4)c(OC)cc(OC)c3c(=O)c2cc1OC	49784997	NBSCEZSQHNSGEZ-UHFFFAOYSA-N	537.590	4.459	5	1	KIBF	
CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085374	PVKSUBAZOLWJNM-QFIPXVFZSA-N	501.653	4.341	5	1	KIBF	
O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccnc(F)c3)cc2)C1=O	473147439	FCIAMMZHYOCZKT-AHWVRZQESA-N	652.060	4.029	5	1	KIBF	
CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](CC(=O)c1cccc([N+](=O)[O-])c1)(C(=O)OC)N2C(=O)OC(C)(C)C	962713003	SAUSJAOHRCGPIF-IZLXSDGUSA-N	556.543	4.026	5	1	KIBF	
COc1ccc(CCCN(C)S(=O)(=O)c2c(OC)cc(OC)c3c(=O)c4cc(OC)c(OC)cc4oc23)cc1OC	49785034	CIQXDDBOOKPXHS-UHFFFAOYSA-N	587.647	4.251	5	1	KIBF	
O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(N1)c1cccc3c1N(CCC3)C(=O)[C@@H]2C(=O)Nc1cccc([N+](=O)[O-])c1	962697115	LBVQVISQWWVEKG-UXWDXCIHSA-N	598.509	4.143	5	1	KIBF	
CNC[C@@H]1C[C@@H]2[C@H](O[C@@H]3[C@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@]4(O)[C@H](O)C=C[C@@H]2[C@]34O)[C@@H](C2(c3ccc(O)cc3)CCCCC2)[C@@H]1O	2356775884	PHDKXMNOSKUPMF-OBDRIZEMSA-N	790.910	4.445	5	1	KIBF	
CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](NC(=O)CN(CC)CC)C(C)(C)O2	28705841	RPYALSUQNBUASR-VWLOTQADSA-N	522.690	4.240	5	1	KIBF	
COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2NC(=O)CCC(=O)O)cc1	587621055	MTPIOXVYIHKMRO-UHFFFAOYSA-N	568.564	4.364	5	1	KIBF	
CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1	653788989	RACDIYVVIGQFAY-QFIPXVFZSA-N	540.374	4.417	5	1	KIBF	
Cc1ccc(N2C=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	1772633431	YYXGQFJGSXOHDC-MHZLTWQESA-N	547.575	4.423	5	1	KIBF	
COc1ccc(OC)c(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3cccc([N+](=O)[O-])c3)s2)c1	82219670	LFWTZMFCRWJRSI-UHFFFAOYSA-N	520.571	4.408	5	1	KIBF	
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N@@+](C)(Cc3cccc(O)c3)C2)cc1	253669594	SIEQNGMENABBKP-LFQAVHSOSA-O	589.713	4.321	5	1	KIBF	
O=C1c2c([N+](=O)[O-])ccc(O)c2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21	587577565	SRUSJQPQBDPKMH-YIXXDRMTSA-N	542.412	4.070	5	1	KIBF	
CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(C(=O)OCCn4c([N+](=O)[O-])cnc4C)cc3)C2)cc1	653793678	OQCSFFGUVREAKY-XMMPIXPASA-N	505.531	4.053	5	1	KIBF	
C[C@@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1	4044422	LCGUBKQMVLKIFN-JGJBJIOOSA-N	520.517	4.498	5	1	KIBF	
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=S)Nc1ccccc1[N+](=O)[O-]	44247122	YEVSUPHBPJRSDX-AOYPEHQESA-N	545.665	4.142	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587287113	UYIHGZDMBWAKRW-XJSBJYOESA-N	742.517	4.431	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCN3C(=O)c4ccccc4C3=O)c2c1	587620960	LAVSUCZGXZUIFZ-UHFFFAOYSA-N	534.550	4.033	5	1	KIBF	
COc1cc([C@H]2c3ccccc3C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)N2C(C)=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	962048842	YYKCXOXSUBGXNY-XKVYUHEQSA-N	669.647	4.085	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2C12c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12	963137092	HGUYJGPUIVUPQF-LJQANCHMSA-N	524.511	4.478	5	1	KIBF	
COc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3cnc[nH]3)N[C@]23c2ccccc2-c2nc4ccccc4nc23)cc1	1911580367	JUPLNCDYYPPYDS-GCMXZSHTSA-N	504.550	4.229	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCC[N+]2([O-])CCOCC2)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O	29412757	PHEUWVDEZQNZEY-AACMMHMGSA-N	689.850	4.230	5	1	KIBF	
CCCCN(CCCC)CCNC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085375	PVKSUBAZOLWJNM-JOCHJYFZSA-N	501.653	4.341	5	1	KIBF	
C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	95864562	IRKUNQWGDWYEPQ-KERYWQKISA-N	620.728	4.432	5	1	KIBF	
CC[C@H](C)C[C@H](C)C=C(C=C(C)C=CC=CC=CC=CC=Cc1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)o1)C(=O)O	2356656815	YQULWNMZEPTDEC-NUCUNREJSA-N	612.716	4.128	5	1	KIBF	
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1	586926565	RFIRLNKFVXYRFS-UHFFFAOYSA-N	531.547	4.220	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc4c(c3)OCO4)c2c1	587620845	HQIWVNNYKSEYAX-UHFFFAOYSA-N	524.511	4.175	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c2[nH]c3ccccc3c2C[C@H]1[C@@H](O)CC(=O)O	963060039	CBKBVVXPNMYSLI-JTAQYXEDSA-N	526.502	4.071	5	1	KIBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cccc([N+](=O)[O-])c2[nH]1)OCc1ccccc1	587220881	HCOHQLJPXLZUIW-IZLXSDGUSA-N	620.666	4.353	5	1	KIBF	
CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)F)cn1	587620573	VTKVRTSTYLIJOH-UHFFFAOYSA-N	519.486	4.217	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3ncc(I)c3C)c2c1	587621051	MREKZOUDVSQWOH-UHFFFAOYSA-N	567.365	4.293	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC	770137	BJVLETXGODDAJR-PXJZQJOASA-N	576.606	4.248	5	1	KIBF	
CN(C)CCOCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(CCN(C)C)C3=O	73168536	KDXFTXDHGWJADE-UHFFFAOYSA-N	511.626	4.165	5	1	KIBF	
CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@]1(C)C(=O)NCCCCC(=O)O	95596072	NNZKSFDPIUDSQY-XJIXUFHVSA-N	525.646	4.354	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)c1cccc([N+](=O)[O-])c1	103208595	LCTJKHBVGADWKI-AJHZIAPWSA-N	533.489	4.037	5	1	KIBF	
C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CN4CCN(CCCC(=O)NO)CC4)cc3)cc12)c1ccccc1	138868493	VVYYIJDJDXRIOY-OAQYLSRUSA-N	513.646	4.201	5	1	KIBF	
Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)NC(=O)OC(C)(C)C)cc1	586932065	JYWIQCQIPHKEGM-INIZCTEOSA-N	638.545	4.261	5	1	KIBF	
COc1cc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2	1857542062	VALBSJUQYFCOMW-UHFFFAOYSA-N	555.611	4.327	5	1	KIBF	
CC(C)[C@H](NC(=O)C(=O)Nc1cccc2cc3ccccc3cc12)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F	26638223	RXYJNVWWXNKBGB-FIPFOOKPSA-N	641.574	4.236	5	1	KIBF	
COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CN(C)[C@@H]1C2	28950396	NZPLZXHAAOOZIZ-DNVFCKCGSA-N	532.563	4.006	5	1	KIBF	
CCN(CCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4)CC(F)(F)F	40939253	BZPRBZXRWRVEHN-UHFFFAOYSA-N	503.477	4.333	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-]	586940617	BGGQXJAWNGTMLU-UHFFFAOYSA-N	525.328	4.453	5	1	KIBF	
CCc1c(-c2cc3c(cc2N)OCCO3)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621752	ZCZTXAPRVOKZDN-UHFFFAOYSA-N	524.555	4.468	5	1	KIBF	
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C=N2	1772652737	NRNZWWIAWRTUSC-AREMUKBSSA-N	533.548	4.114	5	1	KIBF	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@@H]2OCC[C@H]21	27192589	JINKISLXVHISGQ-HLMVIKOSSA-N	647.725	4.168	5	1	KIBF	
COc1ccc2c(=O)c3c(O)cc(OC)c([C@H]4c5c(ccc6ccc(=O)oc56)O[C@H]4C(C)(C)O)c3n(C)c2c1OC	86041882	XRRKNHPPSZSNHE-QABMSTFYSA-N	559.571	4.193	5	1	KIBF	endogenous,in-man
CC[C@H](C)[C@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203599	FRSFELUNQGAPTG-CSUULGGQSA-N	611.055	4.146	5	1	KIBF	
COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	775117	XFBZGAMRBCTVLO-QGZVFWFLSA-N	521.501	4.407	5	1	KIBF	
COC(=O)[C@H](CC(C)C)NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O	40866973	PLCSNFPNVMIEAK-IBGZPJMESA-N	524.577	4.359	5	1	KIBF	
CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@](CC)(c1cc(C(=O)O)[nH]c1[N+](=O)[O-])N2C(=O)OC(C)(C)C	962714366	VXVNQLZUDVZEQN-JWQCQUIFSA-N	517.510	4.065	5	1	KIBF	
CN(C)CCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=S)NC(c2ccccc2Cl)c2ccccc2Cl)c([N+](=O)[O-])c1	95549745	IAAWHIZCNPKLFR-NDEPHWFRSA-N	751.763	4.245	5	1	KIBF	
O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12	587275469	BKXTYBFPUDXIHT-UHFFFAOYSA-N	511.210	4.426	5	1	KIBF	
c1cc(NCCCCN2CCOCC2)c2ccc3c(ccc4c(NCCN5CCOCC5)ccnc43)c2n1	1857547017	MKHZEBIRPOHJAH-UHFFFAOYSA-N	514.674	4.205	5	1	KIBF	
COc1cc(/C=C/COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	238740994	ZVYQQFZANMMFMD-NSCUHMNNSA-N	568.407	4.417	5	1	KIBF	
CCCn1c(=O)[n+](CCC)c(O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](C)(C)C)cc4)cc3)cc21	377797337	OLFCLNQNUIIWPM-UHFFFAOYSA-P	519.646	4.024	5	1	KIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cc(C(=O)O)c(N)c12	587750420	IBVYAUWMXINDKC-JUZXBQNTSA-N	526.318	4.147	5	1	KIBF	
O=C(O)COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	963029377	YOHFMFVJCSTPAB-PXDATVDWSA-N	549.923	4.434	5	1	KIBF	
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2[N+](=O)[O-])C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C	29055016	LSAYODHKWHLPMR-PIAZTOOQSA-N	539.537	4.202	5	1	KIBF	
O=C(O)CN(CC(=O)O)c1ccc(F)cc1OCCOc1cc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)ccc1N(CC(=O)O)CC(=O)O	87515547	PITMCSLKSXHPOA-UHFFFAOYSA-N	740.596	4.097	5	1	KIBF	in-vitro
CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCC1CCCCC1	104960804	SILCTLVPFOEMEL-HXUWFJFHSA-N	534.660	4.157	5	1	KIBF	
COc1cc2nc(N3CCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCc3cccc(OC)c3OC)c2cc1OC	105115929	QLDHOWMXIXSTGE-UHFFFAOYSA-N	616.675	4.498	5	1	KIBF	
COCCOc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1[N+](=O)[O-]	587266470	YKXFXLBGXURWCK-UHFFFAOYSA-N	555.530	4.086	5	1	KIBF	
C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	95797964	IRKUNQWGDWYEPQ-DKGMKSHISA-N	620.728	4.432	5	1	KIBF	
CN(C)CCOC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104964553	IQFPYSBWRHZGGV-HSZRJFAPSA-N	583.667	4.018	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587284531	IDHXYUCSPCYQHB-QVOCDDILSA-N	712.491	4.055	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1	587621115	OYNOIJIGQLRGAX-UHFFFAOYSA-N	525.499	4.354	5	1	KIBF	
CCOc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)ccc1Oc1nn(C)cc1[N+](=O)[O-]	962638247	SMMXYXRQPXAGDQ-JXFKEZNVSA-N	522.436	4.106	5	1	KIBF	
COc1cc(C=CCOC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2356839125	ZVYQQFZANMMFMD-UHFFFAOYSA-N	568.407	4.417	5	1	KIBF	
N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@@H]3O5)NCc1ccc([N+](=O)[O-])cc1	169717898	HCJUFDKLTMZAFF-HKGMAYIWSA-N	634.737	4.337	5	1	KIBF	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	587045825	RPKXTDAWVIVPBI-FOSUGTBTSA-N	906.024	4.329	5	1	KIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(I)c1O	587571239	PTEMAFHAYOVDDY-OXJNMPFZSA-N	505.220	4.314	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC	587668697	FNTHJXDRGLNPDA-INIZCTEOSA-N	505.531	4.251	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCC[N+]2([O-])CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	29412754	PHEUWVDEZQNZEY-AIIVFDHXSA-N	689.850	4.230	5	1	KIBF	
COc1cc2nc(N3CCN(CCNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCc3ccccc3)c2cc1OC	105127714	SSHDZHVHTLLUKT-UHFFFAOYSA-N	613.719	4.460	5	1	KIBF	
CO[C@H](C)C[C@]1([C@H](C)O)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963226669	OZBHCGJLZBXFTF-VKPJZHCSSA-N	621.599	4.470	5	1	KIBF	
COCCN1CCOCCOCCOCCOc2cc(-c3c4ccc(=[N+](C)C)cc-4oc4cc(N(C)C)ccc34)ccc21	28334623	RVRKURPMKIFDRL-UHFFFAOYSA-N	590.741	4.197	5	1	KIBF	
CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2=O)cc1	84655301	WMMRLQSFBAFIHD-MHZLTWQESA-N	526.593	4.271	5	1	KIBF	
COc1ccc(C[C@@H](C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N2CCC(C(N)=O)CC2)N(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	95539392	OTZGIUIREZRTER-VFBMNZBOSA-N	822.916	4.010	5	1	KIBF	
O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1	104954572	AEFMLBVPPKXLSN-JOCHJYFZSA-N	533.654	4.351	5	1	KIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1	586948449	ILNVJARXOSYDMM-UHFFFAOYSA-N	531.554	4.307	5	1	KIBF	
CNC[C@@H]1C[C@@H]2[C@H](O[C@@H]3[C@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@]4(O)[C@H](O)C=C[C@@H]2[C@]34O)[C@@H](C2(c3ccc(O)cc3)CCCC2)[C@@H]1O	2356350818	KEBKXFYGGYVZBT-ANGZWETASA-N	776.883	4.055	5	1	KIBF	
CC(=CC=CC=CC=CC=CC=CC=CC=C[C@@H]1N=C(C=Cc2ccc[nH]2)O[C@H]1C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2356752050	JGWQTBBYPIXQNM-MYKRZTLLSA-N	556.663	4.498	5	1	KIBF	
COc1ccc(CCNc2nc(N3CCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc3cc(OC)c(OC)cc23)cc1	105116359	VVRNHWYPYRZXKT-UHFFFAOYSA-N	586.649	4.489	5	1	KIBF	
CCOC(=O)c1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2c1	586925836	JPRHMEDAVRDGOW-UHFFFAOYSA-N	502.730	4.134	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587312747	CKZMBPMDHSHIGN-SEECOPSQSA-N	724.140	4.491	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4056071	IPALNKYESXWGOB-UWSIMGETSA-N	575.018	4.483	5	1	KIBF	
CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cn1	587620648	WKSOCGIPLQKFTF-UHFFFAOYSA-N	537.476	4.352	5	1	KIBF	
CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(C)c3cc(C(=O)O)[nH]c3[N+](=O)[O-])nc(Cl)nc21	963928593	NVCCPAQEWCXQQF-QHCPKHFHSA-N	511.926	4.027	5	1	KIBF	
CN1CCN(C)[C@H](CN(CCNc2ccc([N+](=O)[O-])cn2)c2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)C1	1772616129	VNVXEXRYXIFQDO-NRFANRHFSA-N	597.511	4.104	5	1	KIBF	
O=C(NCCCN1CCCC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4207776	DMULQAPPBWUCFH-RBBKRZOGSA-N	505.358	4.122	5	1	KIBF	
CC[N+]1(C2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2)CCCC1	95564220	IKQNEBWRSMWPOA-NDEPHWFRSA-O	551.708	4.312	5	1	KIBF	
COc1cc2nc(N3CCN(CCNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCc3cccc(OC)c3OC)c2cc1OC	164017790	GKTIYEFSHUTDQF-UHFFFAOYSA-N	687.798	4.488	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1	587667893	UIWXCXZQAIDOKU-MRXNPFEDSA-N	504.547	4.005	5	1	KIBF	
C[C@@H]1CCCCN1CCCNc1ccc([C@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	253951224	JBZYAXXCWAXGSS-JPYJTQIMSA-N	560.493	4.309	5	3	KIBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2ccccc2[N+](=O)[O-])n1	82081093	ZQHKGFMQPRNONG-NRFANRHFSA-N	502.552	4.240	5	1	KIBF	
CC[C@@H](COC)Nc1nc(N2CC[C@H](NC(=O)CCCc3ccc([N+](=O)[O-])cc3)C2)nc2cc(OC)c(OC)cc12	105133604	OBQQFCXVOYHQOF-SFTDATJTSA-N	566.659	4.110	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@H]1CCCCO1	26486382	HSRXFCRDBFXKGT-BVVGTZDQSA-N	611.629	4.128	5	1	KIBF	
CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CC(=O)O)c5CCC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O	85551967	NGHBDJAOMFYFRP-UHFFFAOYSA-N	786.747	4.649	5	1	KIBF	endogenous,in-man
CC1=NC(C)=C(C(=O)OC[C@H]2CCCCO2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712101	HPZXDQKHWNLDAR-UCTNYEFPSA-N	611.629	4.128	5	1	KIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)N1CCN(Cc3ccccc3)CC1)(c1c[nH]c3ccc([N+](=O)[O-])cc13)O2	587389187	JSHHWJAXNUPJRQ-SSEXGKCCSA-N	539.592	4.172	5	1	KIBF	
CCOc1cc([C@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)ccc1Oc1nn(C)cc1[N+](=O)[O-]	962638259	SMMXYXRQPXAGDQ-OXQOHEQNSA-N	522.436	4.106	5	1	KIBF	
O=C1C[C@@H]2C[C@]3(C[C@@H]2CN1)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N3C(=O)OCC1c2ccccc2-c2ccccc21	963218546	SWFRUDHYUPMHJE-KBYIDJNVSA-N	628.594	4.210	5	1	KIBF	
COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	4081321	CWMXTKLENRXOAG-AHWVRZQESA-N	553.955	4.445	5	1	KIBF	
CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@H](CO)Cc1ccccc1	4215287	DRKSHXHXARRVIY-CNVLFFCLSA-N	513.591	4.346	5	1	KIBF	
CCCCOCCCNC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104967266	YNUJVYUQHZFCNO-HSZRJFAPSA-N	540.642	4.357	5	1	KIBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(Br)cc2[nH]1	587264928	QJJOCNKFKKOLBK-KWKYVRJSSA-N	515.118	4.438	5	1	KIBF	
COc1c(NS(=O)(=O)c2ccc(I)cc2)cc2oc3cccc(OC)c3c(=O)c2c1O	1857642238	OYYXGYCNYRPBJE-UHFFFAOYSA-N	553.330	4.074	5	1	KIBF	
COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)N[C@H](CO)Cc2ccccc2)cc1	774088	JNKYENXUPYMUJC-IBGZPJMESA-N	533.537	4.276	5	1	KIBF	
CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203269	DSXATJXYXNRAHX-GSLFCAENSA-N	655.506	4.255	5	1	KIBF	
COC(=O)c1ccc(Oc2ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3c2)cc1	587267322	WYGVCEFQMBCOGQ-XMHCIUCPSA-N	507.459	4.492	5	1	KIBF	
CCN(CC)CCCNc1nc(N2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	105125769	CAUKRCNIPQKFKX-UHFFFAOYSA-N	579.702	4.360	5	1	KIBF	
COc1cc2nc(N3CC[C@@H](NC(=O)CCCc4ccc([N+](=O)[O-])cc4)C3)nc(NCc3ccco3)c2cc1OC	105132612	QYVBIRQWSHPVNB-HXUWFJFHSA-N	560.611	4.478	5	1	KIBF	
COc1ccc([C@H](CC(=O)NCCNC(=O)Cn2cc([N+](=O)[O-])cn2)c2c(O)cc3c(c2O)C(=O)O[C@H](C)CCCC(=O)CCCC=C3)cc1	2356858601	AHHFXMRWYOVTCM-DFHRPNOPSA-N	691.738	4.148	5	1	KIBF	
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](n2ccc3c(C)c4nc5ccc(O)cc5c4c(C)c3c2)[C@@H]1OC(C)=O	377376557	AOYYJQCFKBFHRE-CNGLIUFISA-N	534.565	4.378	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1	587667654	OPDDJLQNBYLXJX-QGZVFWFLSA-N	504.547	4.238	5	1	KIBF	
O=c1nc(N2CCC3(CCN(Cc4ccccn4)C3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12	1857605858	HXXBQWWPXUFVKU-UHFFFAOYSA-N	505.522	4.471	5	1	KIBF	
O=C1[C@@H](Oc2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	1911577587	ZHJCVFRQJUFWNQ-IZLXSDGUSA-N	659.103	4.386	5	1	KIBF	
COc1ccc(CCNc2ccc([C@H](CC(N)=O)NC(=O)Cc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1	17577040	KARNTMVSDMMHPE-QHCPKHFHSA-N	555.429	4.296	5	3	KIBF	
COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3ccco3)c2cc1OC	82118780	VKGFJBHFIFICEH-UHFFFAOYSA-N	520.546	4.301	5	1	KIBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc([N+](=O)[O-])c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586908309	CNDUSQIARPWLSN-OHPZQLPISA-N	613.752	4.376	5	1	KIBF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COc3cc(F)ccc3[N+](=O)[O-])nc1-2	587158493	FYVOMMBNDZRPPO-UHFFFAOYSA-N	529.467	4.112	5	1	KIBF	
NC(=O)c1cc(N2CCC(c3nc4c(Br)ccc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-]	587263087	KZHXGEAQHKEXMX-UHFFFAOYSA-N	523.185	4.479	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCCN3C(=O)c4ccccc4C3=O)c2c1	587621534	WZOMHFJXBAWTOL-UHFFFAOYSA-N	548.577	4.423	5	1	KIBF	
Cc1cccc(CS(=O)(=O)c2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2[N+](=O)[O-])c1	3019881	YQNSWZPYLGVHEV-UHFFFAOYSA-N	507.612	4.456	5	1	KIBF	
CC(C)[C@H](C)OC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O[C@H](C)C(C)C	299809772	VSWRJZIBKDKTKR-VBWPBTNGSA-N	747.824	4.447	5	1	KIBF	
CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cccc12	586944083	PUXOARUYUZTXBM-SFHVURJKSA-N	531.038	4.492	5	1	KIBF	
COc1ccc([C@]2(Cn3cc([N+](=O)[O-])nc3C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1	963177397	CYBXGZNTKRAXAP-UGKGYDQZSA-N	524.883	4.323	5	1	KIBF	
CCCOc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1Br	586940620	BHHGVUUQVVODPE-UHFFFAOYSA-N	515.411	4.223	5	1	KIBF	
C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c([N+](=O)[O-])ccc(O)c1C(=O)c1c(O)ccc([N+](=O)[O-])c12	587748923	BQHNASAAHOFKBM-VIFPVBQESA-N	544.289	4.186	5	1	KIBF	
COc1ccc(CCN(C)CCCN2CCC(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC2)cc1OC	26476952	RJKQSEWZMAIGHD-UHFFFAOYSA-N	556.707	4.457	5	1	KIBF	
COc1cc2nc(N3CCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCOC(C)C)c2cc1OC	105116444	WTQOXSJMIGMGIZ-UHFFFAOYSA-N	580.686	4.454	5	1	KIBF	
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N+]3([O-])C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]1OC	238738890	VRKGMHQUKPFVFT-JMELGSRQSA-N	624.687	4.184	5	1	KIBF	
O=c1nc(N2CCC3(CCN(Cc4cccnc4)C3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12	1857568033	DQJBNTQYBNFMFJ-UHFFFAOYSA-N	505.522	4.471	5	1	KIBF	
COc1ccc(COC[C@@]23Oc4ccccc4[C@@H](NC(=O)N2C)[C@H]3COC(=O)c2ccc([N+](=O)[O-])cc2)cc1	95784240	OPUFFLNITICDSD-LOLUNWTRSA-N	533.537	4.078	5	1	KIBF	
O=[N+]([O-])c1ccccc1[C@@H]1N=C2NC3=C(C=C2c2nc(=S)[nH]c(O)c21)c1nc(=S)[nH]c(O)c1[C@@H](c1ccccc1[N+](=O)[O-])N3	96907340	ZCOSAZBTRARBBE-KDURUIRLSA-N	627.624	4.369	5	1	KIBF	
O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	587227284	KGRLUXLHWPJATG-UHFFFAOYSA-N	592.564	4.388	5	1	KIBF	
Cc1ccc([C@@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1	587299418	WDGCSXGKEZDRDV-FGLBEIBDSA-N	879.784	4.026	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@@H](c2ncc(Br)cc2[N+](=O)[O-])c2[nH]c3ccccc3c2C[C@H]1[C@@H](O)CC(=O)O	963072034	NQBLNSKGCLFWSY-SGXKBVARSA-N	561.389	4.320	5	1	KIBF	
C[C@@H]1O[C@H](C)c2c3c4c5c(oc6cc(=O)c7c(O)c8c(c(c7c64)O[C@@]31O)C[C@@H](C)O[C@@H]8C)c(O)cc(O)c5c2=O	2356817339	DJXMEXWPXJXPMS-LFUYSHGRSA-N	544.512	4.207	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1	4154179	BEIZWMPZQOLNCU-IXCJQBJRSA-N	563.563	4.190	5	1	KIBF	
O=[N+]([O-])c1cccc([C@H]2N=C3NC4=C(C=C3c3nc(=S)[nH]c(O)c32)c2nc(=S)[nH]c(O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N4)c1	96907342	OPVCQBVTBURSLE-RTBURBONSA-N	627.624	4.369	5	1	KIBF	
COc1ccc2c(c1OC)[C@]1(C[C@@H]3[C@H]([C@H](C)O)C(=O)N3[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2	962676630	LPTHLGOYNDXDSX-FZYUQSMOSA-N	683.636	4.248	5	1	KIBF	
Cc1nn(Cc2ccc([C@@H]3N[C@H](C(=O)O)Cc4ccc(Oc5ccc(O)cc5)cc43)o2)c(C)c1[N+](=O)[O-]	962925904	RIRQNTHEDZELNJ-LADGPHEKSA-N	504.499	4.236	5	1	KIBF	
COc1ccc([C@H](N2CCOCC2)N2[C@@H](c3ccccc3)C[C@H](O)N2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	1772585092	XGXXDHXLVWTTJQ-FXVJXKIMSA-N	535.557	4.029	5	1	KIBF	
CCOC(=O)COc1cc(-c2cc(=O)c3c(O)cc(OCC(=O)N4CC[N+](C)(Cc5ccc(OC)c(OC)c5OC)CC4)cc3o2)ccc1OC	49786015	FRPUYYVUZJCDSJ-UHFFFAOYSA-O	707.753	4.010	5	1	KIBF	
CCn1cc(Cl)c(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)OC)n1	587617697	JCCDPKSLNHTMQF-UHFFFAOYSA-N	533.950	4.209	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])nn3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1	587666532	CQZOZWGYBBNGBB-UHFFFAOYSA-N	538.564	4.457	5	1	KIBF	
COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(O)cc3)C2)c(C)cc1OCC(=O)O	35002965	VULWIJCTCZHANP-QFIPXVFZSA-N	505.483	4.072	5	1	KIBF	
O=C(N[C@H](COCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2ccccc2[N+](=O)[O-])n1	104968654	KHCDTIUYDFYBSB-JOCHJYFZSA-N	532.578	4.214	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725863	IWIDWVCTAPKWBY-PMUGKQPMSA-N	543.601	4.357	5	1	KIBF	
COc1ccc([C@H](C(=O)NC2CCN(C[C@@H](O)c3ccnc4ccc(OC)cc34)CC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	206905532	BNHWQGZJYSCRCB-VSJLXWSYSA-N	654.768	4.338	5	1	KIBF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)cc1	586951904	CXJYJMNMGFIESO-HJWRWDBZSA-N	613.052	4.422	5	1	KIBF	
COc1ccc([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1Cn1cc(Cl)c([N+](=O)[O-])n1	962665227	LSSLSUUBXVHRAL-NVQXNPDNSA-N	521.961	4.238	5	1	KIBF	
O=C(CCC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[N+](=O)[O-])N[C@H](Cc1c[nH]c2ccccc12)C(=O)O	1857556937	WIZHFYBXZGEZJS-KUFDTJSHSA-N	835.871	4.223	5	1	KIBF	
CSCC[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)c1nc2ccccc2[nH]1	2356866893	ZVRDHXZSAUYXSU-TXPZNWJNSA-N	584.702	4.408	5	1	KIBF	
CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cc2)c1)C1CCC1	72136218	OYQQAIFCOJAYDP-UHFFFAOYSA-N	633.727	4.440	5	3	KIBF	
COc1ccc([C@@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	73219826	WISDMZFSRGRFNR-FSLSCCJVSA-N	603.653	4.374	5	1	KIBF	
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C)O[C@@H]1n1ccc2c(C)c3nc4ccc(O)cc4c3c(C)c2c1	377376559	AOYYJQCFKBFHRE-QGKRBMLVSA-N	534.565	4.378	5	1	KIBF	
COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5c(OC)cccc5oc4c3O[C@@H]2COC(C)=O)ccc1O	40872444	JGUCFADCNWOGOA-ZJSXRUAMSA-N	508.479	4.122	5	1	KIBF	biogenic
CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1ccc([N+](=O)[O-])cc1	105176548	ZJJVAQPUAZPNHT-UHFFFAOYSA-N	537.617	4.230	5	1	KIBF	
O=C(NCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1cscn1	587028245	NITCKCYIWXQLQO-UHFFFAOYSA-N	512.503	4.231	5	1	KIBF	
Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1C	587286821	UDZDTQZYXXXJJA-NVGCTPTOSA-N	706.100	4.018	5	1	KIBF	
COc1cc([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1I	963136543	GDBIWEIMTGUENY-IUODEOHRSA-N	561.354	4.000	5	1	KIBF	
C[C@@H]1C[C@]2(C[C@H](C(=O)O)[C@@H]1C(=O)O)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963224885	MXPHBXSKRXCASZ-NYMUJUAZSA-N	675.603	4.496	5	1	KIBF	
COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12	28767947	CWHYKZYCZYQHQP-UHFFFAOYSA-N	513.392	4.071	5	1	KIBF	
O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12	44031996	AUZOWPAANDARJD-UHFFFAOYSA-N	530.500	4.429	5	1	KIBF	
COc1ccc(CS(=O)(=O)c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C3CCCC3)c2=O)cc1[N+](=O)[O-]	103269238	HXFPKIMPKXKYNA-UHFFFAOYSA-N	633.731	4.293	5	1	KIBF	
O=C(O)c1cc2[nH]c(CSc3nc(O)cc(O)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	586966837	PAWHIHVNQQQXTR-UHFFFAOYSA-N	528.502	4.338	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cn3)c(CC(=O)O)c2c1	587618500	STLAQYRXPPOZSP-UHFFFAOYSA-N	516.919	4.228	5	1	KIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc([N+](=O)[O-])c12	587750189	HDWCRZBBBSIYMW-JUZXBQNTSA-N	526.318	4.147	5	1	KIBF	
CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@](CC)(c1cc(C(=O)O)[nH]c1[N+](=O)[O-])N2C(=O)OC(C)(C)C	962714375	VXVNQLZUDVZEQN-RPBOFIJWSA-N	517.510	4.065	5	1	KIBF	
CN1C[C@H](C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](CCC2CCCCC2)C(=O)N2CCC[C@H](C(N)=O)C2)C=C2c3cccc4[nH]cc(c34)C[C@H]21	28655493	LZHXZGVGDIQVLP-GMAZNSQNSA-N	737.902	4.243	5	1	KIBF	
COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCn3ccnc3)c2cc1OC	105122434	SARASIOBOKGVSC-UHFFFAOYSA-N	576.658	4.195	5	1	KIBF	
CC(=O)O[C@@H]1C[C@@H](O)[C@@H](C)O[C@H]1[C@]1(C)C(=O)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)cc5C)C(=O)[C@@]4(C)[C@@H]1O[C@H](C)[C@H](O)C[C@H]1OC(C)=O)[nH]3	254136347	RQOFTLFCRJDAJR-BZBBAAJPSA-N	742.826	4.153	5	1	KIBF	
COc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(=O)c5cc(Br)ccc5oc4c3)nn2)c(OC)c1	1857565901	IUQRXGYEEARZCC-UHFFFAOYSA-N	581.379	4.241	5	1	KIBF	
COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	769141	VLBMCQXIOKYMBG-ISKFKSNPSA-N	509.902	4.394	5	1	KIBF	
CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1	4036574	HAGMJYPBBPFRAD-AHWVRZQESA-N	502.527	4.058	5	1	KIBF	
CCS(=O)(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1	586948254	FOXFYMSPQSASQQ-UHFFFAOYSA-N	500.558	4.041	5	1	KIBF	
CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203270	DSXATJXYXNRAHX-LKOFHKMLSA-N	655.506	4.255	5	1	KIBF	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@@H]12	27192594	JINKISLXVHISGQ-UAULYUODSA-N	647.725	4.168	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC	4045787	ZAWWZSPWANXXIE-WNJJXGMVSA-N	578.622	4.146	5	1	KIBF	
COC(=O)[C@H](CCCCN)NC(=O)COc1cc2oc3cc(OCC(=O)N[C@H](CCCCN)C(=O)OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C	206885703	YREDHELFXHVRHK-URLMMPGGSA-N	810.942	4.009	5	1	KIBF	
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCc1ccccc1	587223862	OEACNWQEKRESAQ-VSGBNLITSA-N	665.663	4.261	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)C[C@@H]3CC[C@H](O)[C@H](C4(c5ccc(O)cc5)CCCC4)[C@H]3O[C@@H]12	2356371843	REUVKBRSVUNCKJ-CYIMMQJVSA-N	709.792	4.445	5	1	KIBF	
NC(=O)C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1	13878947	VWYSRNSYZKFXPZ-FQEVSTJZSA-N	515.339	4.455	5	3	KIBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	4080260	VHCJEBUVTCGLJQ-ISKFKSNPSA-N	510.934	4.256	5	1	KIBF	
CO[C@H]1[C@@H](N(C)C(=O)CCC(=O)O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	27328515	KJGUOQMSLKZPAT-DQRCINHVSA-N	566.614	4.458	5	1	KIBF	
O=[N+]([O-])c1cccc([C@@H]2N=C3NC4=C(C=C3c3nc(=S)[nH]c(O)c32)c2nc(=S)[nH]c(O)c2[C@H](c2cccc([N+](=O)[O-])c2)N4)c1	96907344	OPVCQBVTBURSLE-OALUTQOASA-N	627.624	4.369	5	1	KIBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1	587267149	UXGZDGVJZRJDGC-LAJNKCICSA-N	546.949	4.368	5	1	KIBF	
O=C(O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1	962714677	VJGLAUOGLBRODK-OFNKIYASSA-N	504.392	4.342	5	1	KIBF	
COc1cc([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1I	963136542	GDBIWEIMTGUENY-DOMZBBRYSA-N	561.354	4.000	5	1	KIBF	
COc1ccc(CCNc2nc(N3CCN(CCNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc3cc(OC)c(OC)cc23)cc1	164022003	IBCSXPVBRFCQND-UHFFFAOYSA-N	657.772	4.480	5	1	KIBF	
C1=C2C[N+]3(C[C@@H]4CO4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2[C@@]23CC[N+]4(C[C@@H]5CO5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34	169317076	CEGSIWNYKYHGFO-ITHADAGSSA-N	698.908	4.094	5	1	KIBF	
COC(=O)[C@H](CCCCN)NC(=O)COc1cc2oc3cc(OCC(=O)N[C@@H](CCCCN)C(=O)OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C	206885657	YREDHELFXHVRHK-VMPREFPWSA-N	810.942	4.009	5	1	KIBF	
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)OCc1ccccc1	587223060	LUTQRCNKBFZVJL-LOYHVIPDSA-N	620.666	4.353	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])N[C@@H](C)Cc2cc(Br)c(F)cc21	587727572	OGOWIBFHUHFVMH-DAOPMYJZSA-N	541.345	4.156	5	1	KIBF	
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	59785721	WGCQDMHAOQGVQC-JYFHCDHNSA-N	540.498	4.415	5	3	KIBF	
CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1	4153918	NWQXAXRNXWEKTK-YQIFXUADSA-N	523.973	4.459	5	1	KIBF	
COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104964579	RWNVHAHJJCNGBO-HXUWFJFHSA-N	526.571	4.086	5	1	KIBF	
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCc1ccccc1	587226659	WVWHFGJFZWCAQT-FQLXRVMXSA-N	638.656	4.492	5	1	KIBF	
COc1ncc(-c2ccc(-c3cnc4c(c3)CN(C)C4=O)s2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	1857536249	VQNVBHVDJUZZFW-UHFFFAOYSA-N	537.579	4.175	5	1	KIBF	
O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4208161	JFBGKPDPCIFQQS-LADGPHEKSA-N	509.902	4.264	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	64573231	UOCNUTYNIHRYPD-MHWRTBLVSA-N	517.513	4.053	5	1	KIBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	169309695	PLDPVOSROLQVBS-DEOSSOPVSA-N	567.599	4.035	5	1	KIBF	
COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)S3)cc(OC)c1OC	473166144	DMEYYWIGDSFHHI-DENIHFKCSA-N	523.527	4.114	5	1	KIBF	
COCCNc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1[N+](=O)[O-]	587262295	QCRBBOBHBCDOCQ-UHFFFAOYSA-N	554.546	4.119	5	1	KIBF	
CCN(CC)CCCNc1nc(N(C)CCN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12	105113297	PKHRLYQARVSAAB-UHFFFAOYSA-N	567.691	4.216	5	1	KIBF	
CCCc1c(OC[C@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2CCC)ccc(C(C)=O)c1O	169338675	KVYMOGVMKNOTDI-HNNXBMFYSA-N	515.515	4.039	5	1	KIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(OS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)c(OC)c1)[C@@H](C2)C3=O	587447996	GYNJKUKGOXRLLZ-BVZFJXPGSA-N	511.508	4.177	5	1	KIBF	
Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CCCCCC(=O)O)ccc3n(C)c12	26269681	OQJDBJSHLDZQMW-UHFFFAOYSA-N	518.614	4.420	5	1	KIBF	
CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccccc1F	587619256	FHAAQBDLVOGMQX-UHFFFAOYSA-N	541.513	4.432	5	1	KIBF	
O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(S(=O)(=O)Nc2nccnc2OCc2ccccc2)cc1	169324304	SYTZMQWRQMRJMO-XYOKQWHBSA-N	537.579	4.478	5	1	KIBF	
Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=CN2c2cccc([N+](=O)[O-])c2)cc1	1772618631	PPUDVAHLJOKERV-HHHXNRCGSA-N	547.575	4.423	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC	4075820	BJVLETXGODDAJR-LMSSTIIKSA-N	576.606	4.248	5	1	KIBF	
CC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5C(=O)N1CC[N+](C)(C)CC1)CC4(C)C)cc3C(=O)N1CC[N+](C)(C)CC1	49781452	UUACTOHKIGJCAH-UHFFFAOYSA-O	652.888	4.420	5	1	KIBF	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@]2(CCC[C@H]3CN[C@@H](C(=O)O)[C@H]32)N1C(=O)OCC1c2ccccc2-c2ccccc21	963227430	CGNSPHKGRPIRFC-ZWVLRHQFSA-N	658.620	4.137	5	1	KIBF	
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)O	95612354	GVHOYMBPDIKJRB-MLQVQPHTSA-N	801.297	4.458	5	1	KIBF	
C[C@@H](CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1	95618882	YJJBZADWPTXVOZ-GPMAWMQPSA-N	665.530	4.379	5	1	KIBF	world
COc1cc2nc(N(C)CCN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3ccco3)c2cc1OC	105112766	CFSVOGFFYBADHS-UHFFFAOYSA-N	534.573	4.277	5	1	KIBF	
COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)OC[C@@H]1[C@@H]2OC(=O)c1cccc([N+](=O)[O-])c1	103197768	BPGSCNOHCGMLIM-ULBKPHCJSA-N	579.558	4.471	5	1	KIBF	
CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203600	FRSFELUNQGAPTG-DJMFZYRRSA-N	611.055	4.146	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1	4204525	DSMWOKUTEQOUAX-XTEPFMGCSA-N	563.563	4.190	5	1	KIBF	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O	27518343	AOLQBHBDLWMQMX-JCNMCLKOSA-N	589.689	4.415	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	49695379	KYKIQEYJCMYACB-OUMDNPPYSA-N	587.994	4.140	5	1	KIBF	
c1cc2oc3cccc4c3c3c2c(c1)n(CCN1CCOCC1)c1cccc(c31)[n+]4CCN1CCOCC1	584905195	RFSWYBBWYJNIIC-UHFFFAOYSA-N	509.630	4.237	5	1	KIBF	in-vitro
CSc1ccc(S(=O)(=O)NCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1[N+](=O)[O-]	586942259	UUQQSFIXPATJIH-UHFFFAOYSA-N	568.058	4.126	5	1	KIBF	
NS(=O)(=O)c1ccc(OCCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1	299841057	XQAPUQZYDLXTHK-UHFFFAOYSA-N	619.677	4.372	5	1	KIBF	
COC(=O)CN(C)[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	34799966	LAOIBIIMKUINJL-YWXKVOIDSA-N	538.604	4.239	5	1	KIBF	
CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](N5CC[N+](C)(C)CC5)CC[C@]4(C)[C@H]3CC[C@@]21C	95559359	HEWXCUHFARWDQR-XKEDBODMSA-N	531.826	4.177	5	1	KIBF	
CN(C)CCCn1c(=O)c2ccc(NCCCN(C)CCCN3C(=O)c4cccc5cccc(c45)C3=O)c3c(=O)c4ccccc4n(c1=O)c23	150556508	RXCYGKGPMYQOSO-UHFFFAOYSA-N	672.786	4.091	5	1	KIBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	587745667	KEDRJDWBBCRMNI-VKCJELPCSA-N	539.398	4.205	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC	770159	CKJLELAVQUTHRN-AHKZPQOWSA-N	536.560	4.268	5	1	KIBF	
O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	775107	JXYYBCMPBMELSN-MRXNPFEDSA-N	505.458	4.118	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC	4075799	BJVLETXGODDAJR-YTMVLYRLSA-N	576.606	4.248	5	1	KIBF	
COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)N=C(C)[C@@H](C(N)=O)[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1	169716155	XEEZZVVUQHKGAE-KKLWWLSJSA-N	682.822	4.081	5	1	KIBF	
Cc1c(Br)cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1C	587266694	MZPMISFZIGUCSU-UHFFFAOYSA-N	610.462	4.480	5	1	KIBF	
COc1c[nH]c([C@@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1=O	963219077	GRGFPWVOXRRUSK-WNCULLNHSA-N	628.550	4.255	5	1	KIBF	
CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C	963146235	NSZWKCPENGQKHD-MAUKXSAKSA-N	516.532	4.045	5	1	KIBF	
O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4056005	CWLXPPAEVIRWDN-ISKFKSNPSA-N	509.902	4.264	5	1	KIBF	
CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21	29038739	OVPRAMLDKKOSKX-AYPBNUJASA-N	538.446	4.147	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-n3cccnc3=O)c2c1	587620770	GUXAPNSTCWZRKB-UHFFFAOYSA-N	517.523	4.098	5	1	KIBF	
CC1=C(C(=O)OCC2CC2)[C@H](c2cccc([N+](=O)[O-])c2)N(C(=O)OCCN(C)Cc2ccccc2)C(=O)N1	26477383	TXOWSCZGRDQUGD-DEOSSOPVSA-N	522.558	4.157	5	1	KIBF	
O=C(CN1CCOCC1)Nc1nc(-c2ccccc2[N+](=O)[O-])cc(-c2cc3cc(F)ccc3nc2Cl)n1	95579484	VNJUBBWSZCEOLI-UHFFFAOYSA-N	522.924	4.330	5	1	KIBF	
Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	586929918	IUJBPWLOHZZDNP-UHFFFAOYSA-N	571.567	4.380	5	1	KIBF	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	28970996	SHBPNAQMFSSEMQ-POYMRFPPSA-N	561.547	4.257	5	1	KIBF	
CCOC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169306082	BBJRXDZOCBYFCX-OPBMBUAESA-N	587.994	4.140	5	1	KIBF	
COc1cc2c(cc1OC)CN(CCn1cc(COc3ccccc3C(=O)Nc3ccccc3[N+](=O)[O-])nn1)CC2	1772644561	VBQQZBNVTHYVHC-UHFFFAOYSA-N	558.595	4.093	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@@H]1CCCO1	26476590	OZPOVPRMCKZNPF-CNJBSMTDSA-N	625.656	4.170	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3nnc(-c5ccc([N+](=O)[O-])cc5)o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	84669141	WQNXULROXBUSLJ-QNMIOERPSA-N	602.556	4.487	5	1	KIBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc([N+](=O)[O-])c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586908305	CNDUSQIARPWLSN-LELUJPIOSA-N	613.752	4.376	5	1	KIBF	
COc1ccc([C@@]2(C(O)O)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1	963214918	AHGLLNFORBCEGC-UBOZLPQGSA-N	657.588	4.032	5	1	KIBF	
COc1cc(=O)c2c(OC(C)=O)c3c(c4oc5c(OC(C)=O)c(=O)c6c(OC(C)=O)c7c(cc6c5c1c42)C[C@H](C)OC7=O)C[C@@H](C)OC3=O	2356443365	JIGVQIOPJOCRIQ-NWDGAFQWSA-N	670.579	4.038	5	1	KIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cc(C(=O)O)c(N)c12	587751471	MWSUHZKDUYHKRL-CCGUKBGLSA-N	526.318	4.147	5	1	KIBF	
CC(C)=CCN(C(=O)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2c(C)cc(=O)oc2c1	1911584878	SWWXAUNWARWTDF-UHFFFAOYSA-N	532.597	4.157	5	1	KIBF	
CC(C=CC=C(C)C=CC=C(C)C=C[C@H](OCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=C[C@@H](OCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O	2356521616	FYRKXPCNKQDFFH-PRHWHXSWSA-N	985.218	4.418	5	1	KIBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@]2(CC[C@@H]4CCC[C@@]42c2ccc(O)cc2)[C@@H]1O)[C@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@]3(O)CO	2356667420	LNLRAQKUUOOBSY-JKBYMKCNSA-N	778.899	4.281	5	1	KIBF	
COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(O)c(OC)c1)[C@H]1C(=O)OC[C@@H]1[C@H]2Nc1ccc([N+](=O)[O-])cc1	26389685	ADFKUAKREZUYMC-JYVYKJRCSA-N	536.537	4.423	5	1	KIBF	
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O	586998405	IUZQLIOFDMKDCZ-IOHSPMLXSA-N	665.453	4.207	5	1	KIBF	
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O	586998835	PSRDYQNLSRSQSH-IOHSPMLXSA-N	710.450	4.115	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	73240857	LKQKUGXJPJQUPL-QYDRJVAWSA-N	561.591	4.496	5	1	KIBF	
CO[C@@H]1C(Br)=CO[C@@]2(C=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CC[N+](C)(C)C)cc1Br)[C@@H]2O	95546889	YYVPQIKHTFGWEN-SSPYTLHUSA-O	776.135	4.349	5	1	KIBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1	587267151	UXGZDGVJZRJDGC-QKVFXAPYSA-N	546.949	4.368	5	1	KIBF	
COc1cc(C(=O)N(C)[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])cc1OC	3963627	VNRBDJPKOVUQMG-MHZLTWQESA-N	616.631	4.034	5	1	KIBF	
CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715725	HHXHWBGCTREPSZ-WDYNHAJCSA-N	604.704	4.319	5	1	KIBF	
CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1cc(OC)c(Br)c(OC)c1	1772616036	NITNRHPRNGIURB-LJQANCHMSA-N	551.397	4.403	5	1	KIBF	
O=C(Nc1cccc(S(=O)(=O)NCc2cccc(C(=O)O)c2)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	1857573447	LRXFVKURDWTGJM-UHFFFAOYSA-N	538.460	4.434	5	1	KIBF	
COC(=O)C[C@@]1(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21	963029443	UUPWYSDYQKJXOK-UVMFRMCBSA-N	665.615	4.244	5	1	KIBF	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	772187	GETAYCZBYDAERW-YTJPUZGESA-N	558.975	4.194	5	1	KIBF	
COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1	4052363	JYQPEBLUSUKMBQ-BDYUSTAISA-N	535.553	4.080	5	1	KIBF	
C[C@](O)(CS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1	73310603	UVPJFMWEJFKKLC-KRWDZBQOSA-N	536.282	4.108	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cc(OC)ccc1OC	4154148	QZUIWZACZRCFBZ-PXJZQJOASA-N	579.606	4.479	5	1	KIBF	
COc1cc2nc(N3CC[C@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc(NCc3ccco3)c2cc1OC	105132481	IQVYJQSQBMDOQJ-KRWDZBQOSA-N	532.557	4.077	5	1	KIBF	
CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)NC2CCN(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1	42835612	ZKNVIQQBCSYASM-LQJZCPKCSA-N	643.785	4.340	5	1	KIBF	
COC(=O)c1cc(OC)c(O)c2occ(-c3c(C(C)=O)cc4c(=O)c5c(C(=O)OC)cc(OC)c(O)c5oc4c3C(C)=O)c(=O)c12	162306729	VRJOYEIUCUFMGO-UHFFFAOYSA-N	632.530	4.126	5	1	KIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)N1CCN(Cc3ccccc3)CC1)(c1c[nH]c3ccc([N+](=O)[O-])cc13)O2	587389186	JSHHWJAXNUPJRQ-PMERELPUSA-N	539.592	4.172	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c([N+](=O)[O-])c1	587265504	FURVTOWAXICWCA-UHFFFAOYSA-N	605.608	4.197	5	1	KIBF	
O=[N+]([O-])c1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1F	587178672	ILUAFIDWWXPDNR-UHFFFAOYSA-N	509.016	4.486	5	1	KIBF	
O=C(NCCCN1CCCC1=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4207771	DMULQAPPBWUCFH-IFMALSPDSA-N	505.358	4.122	5	1	KIBF	
O=C(c1ccccc1)c1ccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587266816	PETWTJWLYFXKSR-UHFFFAOYSA-N	607.620	4.331	5	1	KIBF	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621117	PEWKKUDFJQNVOO-UHFFFAOYSA-N	555.525	4.363	5	1	KIBF	
CNc1nc(-c2ccc(CCN3CCN(CCCN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)CC3)cc2)cs1	299828630	ODEXGKDORJQYOX-UHFFFAOYSA-N	549.745	4.132	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC	4154143	VIFDXNXWZUPYRG-IXCJQBJRSA-N	563.563	4.190	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@H]1CCCO1	26476597	OZPOVPRMCKZNPF-NZBROUCASA-N	625.656	4.170	5	1	KIBF	
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)/C=C/c1ccccc1	49784834	NMUDYLFLPOULSU-QCUZZJFWSA-N	580.726	4.026	5	1	KIBF	
COC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1	586987829	SAOSRSLSKJBSCW-NIYFSFCBSA-N	528.517	4.486	5	1	KIBF	
O=C(O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577898	UOMMSUMYJUBNEE-DWACAAAGSA-N	509.426	4.448	5	1	KIBF	
CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1ccc([N+](=O)[O-])cc1	1857642685	TVQROIITAHEHKW-UHFFFAOYSA-N	542.415	4.051	5	1	KIBF	
O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	40913464	OYEDVLBDGATCNF-UHFFFAOYSA-N	509.927	4.493	5	1	KIBF	
CCCCN(CCCC)CCNC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C	82082403	LPWWJTXEKUGBDH-QFIPXVFZSA-N	503.669	4.491	5	1	KIBF	
O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC1CCCC1)N[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)OC1CCCC1	95542963	MBRAYYFITGBRDK-RRPNLBNLSA-N	743.792	4.243	5	1	KIBF	
COC(=O)C12OC(C(=O)OC)([C@@H]3[C@@H]1[C@H]1C[C@H]3[C@@H]3C(=O)N(CCNC(=O)c4cccc5cc6ccccc6nc45)C(=O)[C@H]31)[C@@H]1[C@@H]3C[C@@H]([C@@H]4C(=O)N(CCNC(=O)c5cccc6cc7ccccc7nc56)C(=O)[C@H]43)[C@@H]12	169359785	TVFOSBXCWLIICB-CCOVQSJUSA-N	981.031	4.083	5	1	KIBF	
CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1	4079460	ZTADFBVYRBQWRQ-LSQMVHIFSA-N	508.962	4.256	5	1	KIBF	
CCOC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169303543	DNYKWQSMQQBJDU-VRUIKYSZSA-N	587.994	4.140	5	1	KIBF	
COc1ccc2c(c1)oc(=O)c1ccc(O[C@@H]3c4cc(OC)c(OC)cc4O[C@@H]3COC(C)=O)c(OC)c12	2356418008	UKZAFTFBOXNLCB-AOYPEHQESA-N	522.506	4.425	5	1	KIBF	
CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)NCCN)c21	28525221	BPVKPCFMTJPXLE-UHFFFAOYSA-N	557.677	4.264	5	1	KIBF	
COC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621588	WKGIHLCUPVDSIM-UHFFFAOYSA-N	568.564	4.099	5	1	KIBF	
CC(=O)Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(CC(C)=O)oc6cc45)c3cc2o1	49783616	WNBCCYQJKCIGAJ-UHFFFAOYSA-N	598.516	4.369	5	1	KIBF	biogenic
O=[N+]([O-])c1cc(S(=O)(=O)N(c2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl	29484797	CKIMFCGAJLLXIA-UHFFFAOYSA-N	532.339	4.394	5	1	KIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1	586920724	WLROENCMGSESFF-UHFFFAOYSA-N	540.501	4.265	5	1	KIBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1	4042519	IXXDXUJVFUPVSC-IAPPQJPRSA-N	545.596	4.124	5	1	KIBF	
CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1	26724504	NTTOSPBYGRNOJQ-MGBGTMOVSA-N	666.823	4.249	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cccc([N+](=O)[O-])c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	28771421	OSNQMLDRHAFGFD-LVEBQJTPSA-N	520.494	4.134	5	1	KIBF	
COc1cc2c(c(O)c1[C@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@@H]1C(C)(C)O)c(=O)c1ccc(O)c(OC)c1n2C	85907212	CWDCMHOLSPPPAS-IJAHGLKVSA-N	670.671	4.209	5	1	KIBF	endogenous,in-man
COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCN[C@H]3CC[C@H](O)CC3)c2c1)C(=O)NC4=O	261111489	IDQNRCHDRUUOCX-IYARVYRRSA-N	510.594	4.225	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)nc3)c(S(C)(=O)=O)c2c1	587620687	YHFQVQWXXMAIFT-UHFFFAOYSA-N	570.527	4.370	5	1	KIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc([N+](=O)[O-])c12	587750164	GYOQDCJZERCICY-VKTRGTBVSA-N	526.318	4.147	5	1	KIBF	
CC(C)(C)OC(=O)N[C@H](CCCCN)C(=O)Nc1ccc(COC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	27546459	MNVDXJADHOLJGF-OAQYLSRUSA-N	515.567	4.304	5	1	KIBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc5nc6ccccc6nc5cc4[nH]3)cccc12	586939171	ZXACRBFJAXFNSP-QFIPXVFZSA-N	581.706	4.161	5	1	KIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)c1	587262542	CAGYZFRHVWFGLL-UHFFFAOYSA-N	528.613	4.401	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(N3C(=O)CCC3=O)c2c1	587620680	XTXRAXXOCUPKRS-UHFFFAOYSA-N	538.513	4.345	5	1	KIBF	
O=C(Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1	587646615	XTBWOLQUOIACFM-UHFFFAOYSA-N	524.381	4.356	5	1	KIBF	
CC(=O)[C@]1(O)Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)O2)C1	26292943	MPXCAHIOXDLGIB-WTKROPBMSA-N	714.602	4.292	5	1	KIBF	
O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4056002	CWLXPPAEVIRWDN-UPVQGACJSA-N	509.902	4.264	5	1	KIBF	
CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1	4045272	GNJPSLISOKLDIR-RJWMVNQGSA-N	522.989	4.126	5	1	KIBF	
CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc3c(=O)n(CCN(C)C)c(=O)n4c5ccccc5c(=O)c2c34)c2c(O)c3ccccc3nc12	150596053	FRXXLEVKKOPXAL-UHFFFAOYSA-N	785.950	4.062	5	1	KIBF	
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CC[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1	49776341	HJPYQPWVTVOICU-NDEPHWFRSA-N	734.771	4.423	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)[C@H](C)Cn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)cc1OCC	587668699	FNTHJXDRGLNPDA-MRXNPFEDSA-N	505.531	4.251	5	1	KIBF	
CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1	653788988	RACDIYVVIGQFAY-JOCHJYFZSA-N	540.374	4.417	5	1	KIBF	
COC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc([N+](=O)[O-])cc1	1772593671	XMJYDAHUKTUSSP-WNVHQBAKSA-N	511.575	4.083	5	1	KIBF	
CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1cc(Br)ccc1OC	1772625034	OJRYJGYPZZSHGH-IBGZPJMESA-N	521.371	4.394	5	1	KIBF	
O=C1NCc2c1c1c3cc(Br)ccc3n3c1c1c2c2cc(CN4CCOCC4)ccc2n1C[C@H](CO)C3	28819552	OWDLMJGOBWCKME-KRWDZBQOSA-N	559.464	4.363	5	1	KIBF	
CCCCc1nn(-c2ccc(OC)cc2[N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1	26573661	QKRCKYPLONEPDX-UHFFFAOYSA-N	526.557	4.189	5	1	KIBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCc1ccccc1	587223861	OEACNWQEKRESAQ-NSOVKSMOSA-N	665.663	4.261	5	1	KIBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](n1cnc2c(NCc3ccccc3)ncnc21)C(Cl)(Cl)Cl	1857556342	INJSGQFFLPYXAY-LJQANCHMSA-N	568.809	4.147	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCN(C)c1ccccc1	4079892	MQNYSRUZSMSALC-XTEPFMGCSA-N	546.580	4.457	5	1	KIBF	
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1	42989009	SIEQNGMENABBKP-NZFBJFDYSA-O	589.713	4.321	5	1	KIBF	
CCCCOCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82075421	LWXYXOYBCDUYGN-OAQYLSRUSA-N	510.616	4.382	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCNC(=O)c2ccccc2O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@H]1CCCO1	101489177	UCGVPQZIODJFHF-PPBORXCNSA-N	565.579	4.071	5	1	KIBF	
O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4055815	HAGVIAMVKLVJRI-UNMCSNQZSA-N	505.358	4.122	5	1	KIBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)ccc1O	299862990	OGSXFRFLEKVLTO-VWLOTQADSA-N	587.589	4.139	5	1	KIBF	
O=C(O)[C@H]1[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl	587010037	DXCPIOUGALHZRP-RGORQWHNSA-N	506.944	4.496	5	1	KIBF	
COc1ccc2c3c1O[C@@H]1[C@]34CC[N@+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(N)=O)cc1)C2	1772639632	TYWAMSHOGMWKMF-FZEBWJRKSA-O	559.727	4.380	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)CC[C@@H]3C[C@H]([C@H](C(O)O)C4(c5ccc(O)cc5)CCCCC4)O[C@H]1[C@@]32O	2356764884	UFPJQHFBANWYGK-TUBWTFOTSA-N	739.818	4.154	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cc(OC)ccc1OC	4154146	VIFDXNXWZUPYRG-XCZPVHLTSA-N	563.563	4.190	5	1	KIBF	
O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085371	UYMMFFJWAOPYFR-XMMPIXPASA-N	519.627	4.104	5	1	KIBF	
COc1ccc(OC)c(NC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1	587621477	ULFRHEOTXOTJAN-UHFFFAOYSA-N	540.554	4.463	5	1	KIBF	
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	49780751	ICDLMVIOEWJHKJ-NDEPHWFRSA-N	620.684	4.182	5	1	KIBF	
CC[C@@H](COC)Nc1nc(N2CCCN(C(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	105125874	DNVZGTJYUJZZNX-QFIPXVFZSA-N	580.686	4.454	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Br)cc(F)c3[nH]2)c([N+](=O)[O-])c1	587265422	DNHWUNICDIMBEN-UHFFFAOYSA-N	600.398	4.002	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC	4053442	FBZILGHIOXZSJX-XTEPFMGCSA-N	549.580	4.470	5	1	KIBF	
O=[N+]([O-])c1cc(Cl)ccc1Nc1nc(Nc2ccc(Cl)cc2[N+](=O)[O-])nc(N2CCOCC2)n1	13831601	OFARNYAOXYWRBB-UHFFFAOYSA-N	507.294	4.319	5	1	KIBF	
COc1ccc2c(=O)c3c(O)cc(OC)c([C@H]4c5c(ccc6ccc(=O)oc56)O[C@@H]4C(C)(C)O)c3n(C)c2c1OC	86041879	XRRKNHPPSZSNHE-NGQVCNFZSA-N	559.571	4.193	5	1	KIBF	endogenous,in-man
O=C1OCCN1C(=O)C1=[N+](c2ccc(Br)cc2)N[C-](c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	169700576	MEONXDYZBGYUAW-OAQYLSRUSA-N	535.354	4.303	5	1	KIBF	
Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577056	QVGPQRGUMGNROE-DWACAAAGSA-N	524.441	4.031	5	1	KIBF	
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1c1ccccc1[N+](=O)[O-]	26482556	ZOKSTAGMIUMLAL-UIKMQHARSA-N	569.592	4.011	5	1	KIBF	
CN(C)CCNc1cc(C(=O)NCCCNC(=O)c2ccc(NCCN(C)C)c3c(=O)c4ccccc4[nH]c23)cc2[nH]c3ccccc3c(=O)c12	26839834	DWOLQDFMOWXBDT-UHFFFAOYSA-N	688.833	4.173	5	1	KIBF	
CC1=NC(C)=C(C(=O)OC[C@H]2CCCCO2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712073	VGHWATKVSWORPV-SKUBCJEJSA-N	611.629	4.128	5	1	KIBF	
Cc1c(C=O)c2ccccn2c1[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21	963688498	UCUYJUOYBIZOOT-BQXSUFNCSA-N	618.646	4.292	5	1	KIBF	
CC(C)(C)NC(=O)[C@H]1c2ccccc2CCN1c1cc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2C(C)(C)C	40866666	ZBCAABWKPDLUHX-HSZRJFAPSA-N	520.586	4.381	5	1	KIBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2c(OC)ccc(OC)c2[N+](=O)[O-])nc2sc(Cl)cn12	29132340	FVMDXEBQLUAISH-UHFFFAOYSA-N	562.988	4.222	5	1	KIBF	
O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)nn1CC(F)(F)F	587092804	YVRZJSJQKNAUDQ-UHFFFAOYSA-N	500.846	4.351	5	1	KIBF	
O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1[N+](=O)[O-]	587179123	QIOARHIXKWDJPD-UHFFFAOYSA-N	536.023	4.256	5	1	KIBF	
COc1ccc2c(c1OC)[C@@H](c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccccc1N)CC2	963150651	WIKRFGNKUHAQSP-AREMUKBSSA-N	513.554	4.383	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	4045879	VVYGCKCEIOMXFH-PXJZQJOASA-N	578.622	4.146	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1OC[C@@H](C(O)O)C1(c2ccc(O)cc2)CCC2(CCCC2)CC1	2356664508	XVUQTJZZHXSQKS-RXJIVIKHSA-N	741.834	4.403	5	1	KIBF	
COc1ccc2c(c1)oc(=O)c1ccc(O[C@H]3c4cc(OC)c(OC)cc4O[C@@H]3COC(C)=O)c(OC)c12	2356418009	UKZAFTFBOXNLCB-RSXGOPAZSA-N	522.506	4.425	5	1	KIBF	
COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1	4045966	DMEUZXSPJFDZTO-LMSSTIIKSA-N	578.622	4.146	5	1	KIBF	
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc(Cl)c1	49780533	USFBDBXCWYGOLU-FLXBVFITSA-N	589.133	4.280	5	1	KIBF	
O=c1c2ccccc2nc(-c2sc(N3CCNCC3)nc2-c2ccccc2)n1-c1ccccc1[N+](=O)[O-]	98082538	RPFTYWAGRSSFIV-UHFFFAOYSA-N	510.579	4.494	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(=O)CCC(=O)O)c2c1	587621296	SGQISSDLDUYDPW-UHFFFAOYSA-N	538.538	4.356	5	1	KIBF	
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC(C3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)CC2)cc1	49605483	WZHCIDXVUPKZMT-HHHXNRCGSA-N	608.717	4.177	5	1	KIBF	
CO[C@@H]1[C@@H](COC(=O)[C@H](CCCCN)NCCC(=O)O)[C@@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	150592940	KFVSFZBFNNNZMM-AAJRPBLESA-N	653.736	4.097	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Cl)c(Cl)cc3[nH]2)c([N+](=O)[O-])c1	587265497	FTXGVKGDQGQIFZ-UHFFFAOYSA-N	572.402	4.407	5	1	KIBF	
O=C(O)[C@@H]1[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl	587011368	RJQJXBVDQPBSNL-OZSWBRGFSA-N	506.944	4.496	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3cc(I)c(C)n3)c2c1	587620837	HLDGMPXAEYEBJA-UHFFFAOYSA-N	567.365	4.293	5	1	KIBF	
CC(=O)N(Cc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)NCCCn2c([N+](=O)[O-])cnc2C)cc1	1857557378	ATOOWUDCCQJKKL-UHFFFAOYSA-N	540.429	4.328	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(COC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	27546454	MNVDXJADHOLJGF-NRFANRHFSA-N	515.567	4.304	5	1	KIBF	
CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NC1CCN(Cc2ccccc2)CC1	82082249	DWYXKOGWGYJAEE-XMMPIXPASA-N	521.643	4.254	5	1	KIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1	587262641	HGLOXLWJKISUIH-GOSISDBHSA-N	620.644	4.421	5	1	KIBF	
CC(C)c1noc(C2CCN(c3ncnc(Nc4ccc(S(=O)(=O)C(C)C)cc4F)c3[N+](=O)[O-])CC2)n1	44387287	ZFINOWQKYBMMSC-UHFFFAOYSA-N	533.586	4.340	5	1	KIBF	
COc1cc(O)c2c(=O)c3ccc(OC)c(O[C@@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@@H]4O)c3[nH]c2c1	86041847	MHUAXBOYNZWGTG-VSGBNLITSA-N	531.517	4.163	5	1	KIBF	endogenous,in-man
CCc1c(CNC(=O)OC(C)(C)C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621088	NGRVKOKPIYOHPE-UHFFFAOYSA-N	504.565	4.473	5	1	KIBF	
CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cccc(Br)c2[N+](=O)[O-])c1OCC	587935576	CJFDDBHIVRKZTN-UHFFFAOYSA-N	513.341	4.228	5	1	KIBF	
O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@H](c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N1	963667295	MQWCNAJRIMTZKQ-FDFHNCONSA-N	530.364	4.023	5	1	KIBF	
CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1	4045259	GNJPSLISOKLDIR-HQCZVFHSSA-N	522.989	4.126	5	1	KIBF	
COC(=O)C1CCN(CCc2cccc3c2[nH]c2c4ccc5ccn(C)c5c4c4c(c32)C(=O)NC4=O)CC1	13535113	XOFQJBDORDALAH-UHFFFAOYSA-N	508.578	4.277	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(C)=O	26750387	ORLLTHUWYHHEOO-ULBKPHCJSA-N	562.531	4.354	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cc(-c5ccc([N+](=O)[O-])cc5)[nH]n3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	95596438	AHXVOKGCTMZUCX-GVGYXHIPSA-N	628.594	4.145	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(NC(=O)CCC(=O)O)c2c1	587620234	SMTRTSNLRYMDOY-UHFFFAOYSA-N	556.528	4.495	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC	4042627	CXPKUAWNNWNFNG-LMSSTIIKSA-N	561.639	4.413	5	1	KIBF	
COc1cc2c(Br)c(CN3CCC[C@@H]3C(N)=O)c3cc(OC)c(OC)cc3c2cc1OC	103201258	IZUTWKFKUGEKHR-GOSISDBHSA-N	503.393	4.240	5	1	KIBF	
COc1ccc(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1	586956485	BOHBGIAIWJQFKE-UHFFFAOYSA-N	641.658	4.465	5	1	KIBF	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(C(=O)CNc2ccc([N+](=O)[O-])cc2Cl)c2ccccc12	73225027	HAHVGQJCHILVAU-JOCHJYFZSA-N	511.922	4.146	5	1	KIBF	
CC(C)=CCc1c2c(=O)c3c(O)ccc(O)c3c(O)c-2c2c(=O)c3c(O)c([C@H](O)CC=C(C)C)cc(O)c3c(=O)c1=2	85860691	FOBNXANLUWKAKZ-MRXNPFEDSA-N	556.567	4.205	5	1	KIBF	biogenic,in-vitro
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)nc1C(F)(F)F	587119430	WCZGEVNALZNPQU-UHFFFAOYSA-N	510.436	4.461	5	1	KIBF	
NC(=O)c1cc(N2CCC(c3nc4cc(Br)c(Br)cc4[nH]3)CC2)ccc1[N+](=O)[O-]	587263308	RGFWAWFGJZHUOK-UHFFFAOYSA-N	523.185	4.479	5	1	KIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-]	587573951	DRHHPVFMUVKEOE-PWUYWRBVSA-N	522.469	4.454	5	1	KIBF	
O=C1c2c(O)ccc([N+](=O)[O-])c2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21	587575957	LLFQYUORDXPVCS-QHCPKHFHSA-N	542.412	4.070	5	1	KIBF	
CN1CCN(NC(=O)c2ccc([C@@H]3CC(=O)N(Cc4ccccc4[N+](=O)[O-])c4ccccc4S3)cc2)CC1	1857773286	GOTVIOYVQRHLIN-SANMLTNESA-N	531.638	4.257	5	1	KIBF	
COc1cccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3cnc[nH]3)N[C@@]23c2ccccc2-c2nc4ccccc4nc23)c1	1911574931	MLFJUBNESDQKEA-VSUKXTEZSA-N	504.550	4.229	5	1	KIBF	
CC(=O)Oc1ccc2c(oc(=O)c3ccc(-c4cc5ccc(=O)oc5cc4O)c(O)c32)c1OC[C@@H](C)[C@H](C)O	238766416	BFHZUBZROAWZCN-KGLIPLIRSA-N	532.501	4.452	5	1	KIBF	
Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CCCCC(=O)O)ccc3n(C)c12	2004577	RLEDTSURDOBJSD-UHFFFAOYSA-N	504.587	4.030	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	963060045	CBKBVVXPNMYSLI-SXWKCWPCSA-N	526.502	4.071	5	1	KIBF	
COc1ccc(CCN(C)c2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC	82135668	IZXYBYILGIYMLN-UHFFFAOYSA-N	505.575	4.374	5	1	KIBF	
O=C(N[C@H](CSCc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1	104961880	IPWBBTPYORYJOH-JOCHJYFZSA-N	553.710	4.352	5	1	KIBF	
COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104964950	FITVUINQHIIYIK-LJQANCHMSA-N	526.571	4.086	5	1	KIBF	
Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N@+](C)(Cc4ccc(O)cc4)C3)cc2)no1	253670032	YQUMEJDEWPVTIF-OZIKFCGLSA-O	585.685	4.114	5	1	KIBF	
COc1cc(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	775116	XFBZGAMRBCTVLO-KRWDZBQOSA-N	521.501	4.407	5	1	KIBF	
Nn1c(SC[C@]2(c3ccccc3)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1	962773826	YCEMPTMGFPJDRY-SQJMNOBHSA-N	554.554	4.249	5	1	KIBF	
O=C1[C@@H]2[C@@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl	27325238	ALWRYSHRLGINAM-WKYFLPQNSA-N	550.953	4.277	5	1	KIBF	
C[C@@]1(c2ccc3cc4ccccc4cc3c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587309035	AKBLSGTXZIAFSH-ITMWZBJBSA-N	636.653	4.118	5	1	KIBF	
CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	4052431	YGCOKEGGFSQCOS-AZGAKELHSA-N	503.511	4.173	5	1	KIBF	
CCOC(=O)c1cc(Br)c2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2c1	587079931	PDFSQZUEEBPXLW-UHFFFAOYSA-N	509.704	4.272	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	586941957	YJYLIYWEKPSJQQ-UHFFFAOYSA-N	515.411	4.221	5	1	KIBF	
O=C1OC(c2ccccc2)=NC1=Cc1cc(C=C2N=C(c3ccccc3)OC2=O)c([N+](=O)[O-])cc1[N+](=O)[O-]	2356852407	JBPCFWUJCAIWAQ-UHFFFAOYSA-N	510.418	4.192	5	1	KIBF	
CCN(CCNS(C)(=O)=O)c1cc(C)c2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1	71341119	VJWPJKCUAPBRMZ-JJKYIXSRSA-N	501.612	4.397	5	1	KIBF	
C[N+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@]9(CC[N+]8(C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@H]54)[C@H]69	169356556	IIYHWTVUYIYKKG-NHBYOQQCSA-N	614.834	4.363	5	1	KIBF	
COc1ccc2c(c1)c(CC(=O)NS(=O)(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)c(C)n2-c1ccc(C)cc1	1772583502	RGOHBSOZXKMJPP-UHFFFAOYSA-N	578.647	4.048	5	1	KIBF	
COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	768896	QNCJHYMUBOWLLT-RSXGOPAZSA-N	553.955	4.445	5	1	KIBF	
COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1)CC2=O	26266128	OQXYFWPXCDJWRB-ZFWHIUCFSA-N	580.682	4.042	5	1	KIBF	
COc1oc(=O)c2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1Cl	27631054	JTCTXIVHOMNTID-NRFANRHFSA-N	521.913	4.343	5	1	KIBF	
COc1ccc(OC)c(-c2cnc(-c3cnc(NCCNC(C)=O)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1	82221446	PAGMTJIOSQXEFI-UHFFFAOYSA-N	520.571	4.408	5	1	KIBF	
CNC(=O)c1cccc(S(=O)(=O)Oc2ccc(-c3cncn3C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)cc2)c1	1857609631	ZAJUTRQBMJIZFA-UHFFFAOYSA-N	589.630	4.063	5	1	KIBF	
COc1ccccc1[C@@H]1[C@H]([N+](=O)[O-])[C@H](Cc2cnc[nH]2)N[C@]12c1ccccc1-c1nc3ccccc3nc12	1911579319	SLXSPHAYNAQJBQ-OCAOGGMISA-N	504.550	4.229	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@H](CO)C3(c4ccc(O)cc4)CCCCC3)O[C@H]12	2356773984	NZSIVOFSFFDODY-SSSPPVHMSA-N	697.781	4.447	5	1	KIBF	
CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)c2c1	87515644	LVFGMGNFRLRSFM-LRBPOADPSA-O	662.925	4.321	5	1	KIBF	in-vitro
O=[N+]([O-])c1ccc([C@@H]2N=C3NC4=C(C=C3c3nc(=S)[nH]c(O)c32)c2nc(=S)[nH]c(O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N4)cc1	96907347	YZVDBORUMMUPRW-OALUTQOASA-N	627.624	4.369	5	1	KIBF	
COc1ccc(-c2cn(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	29130589	HWTOWDLMDAXGGV-UHFFFAOYSA-N	610.576	4.355	5	1	KIBF	
COc1cc2c(c(OC)c1O)-c1ccc(SC)c(=O)cc1[C@@H](N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-])CC2	64504119	BQNPAHLNQSRMEZ-SFHVURJKSA-N	558.634	4.375	5	1	KIBF	
Nn1c(SC[C@]2(c3ccccc3)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1	962773825	YCEMPTMGFPJDRY-PXDATVDWSA-N	554.554	4.249	5	1	KIBF	
CNC[C@@H]1C[C@@H]2[C@H](O[C@@H]3[C@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@]4(O)[C@H](O)C=C[C@@H]2[C@]34O)[C@H](C2(c3ccc(O)cc3)CCCC2)[C@@H]1O	2356350820	KEBKXFYGGYVZBT-XFGBYDEQSA-N	776.883	4.055	5	1	KIBF	
CC[C@H](C)C[C@H](C)C=C(C=C(C)C=CC=CC=CC=CC=Cc1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(=O)o1)C(=O)O	2356656814	YQULWNMZEPTDEC-LGXNXULMSA-N	612.716	4.128	5	1	KIBF	
O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC1CCCC1)N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)OC1CCCC1	95542961	MBRAYYFITGBRDK-SVBPBHIXSA-N	743.792	4.243	5	1	KIBF	
CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1	28015727	RMHLZTGLUVJSSD-VXKWHMMOSA-N	566.746	4.319	5	1	KIBF	
COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCOCCn1ccnc1[N+](=O)[O-]	299819843	DBKGMCHPHOAIPB-UHFFFAOYSA-N	529.351	4.345	5	1	KIBF	
CN(Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)S(=O)(=O)c1cccnc1	586928444	BLZFELHCOVENEA-UHFFFAOYSA-N	556.556	4.061	5	1	KIBF	
Cc1cc([N+](=O)[O-])nn1COc1ccc([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1	962924116	MYXLOKXLZCJQGD-AZGAKELHSA-N	516.510	4.322	5	1	KIBF	
CS(=O)(=O)N1CCN(CCOc2ccccc2C=C2c3ccccc3-c3ccc([N+](=O)[O-])cc32)CC1	1857543697	KCRVPIYLCHIWEO-UHFFFAOYSA-N	505.596	4.120	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1	587667886	SYRDYCCNHNDJIQ-UHFFFAOYSA-N	503.471	4.120	5	1	KIBF	
COc1ccc(N2C=Nc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	1772635139	SHRXETZMASVGCF-HHHXNRCGSA-N	563.574	4.123	5	1	KIBF	
COc1ccc(CCNc2nc(N3CCN(CCNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc3cc(OC)c(OC)cc23)cc1	105128129	DXHBNCMAFBCIOE-UHFFFAOYSA-N	629.718	4.079	5	1	KIBF	
CC(C)[C@H](C)OC(=O)[C@@H](CCC(=O)N[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O[C@H](C)C(C)C)NC(=O)OCc1ccccc1	169371818	VSWRJZIBKDKTKR-QGNCETNGSA-N	747.824	4.447	5	1	KIBF	
CCCN1C(=O)[C@](O)(c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c2ccccc21	587621513	WIXBTAADOUDWND-HHHXNRCGSA-N	550.593	4.186	5	1	KIBF	
COc1cc(O)c2c(=O)c3ccc4c(c3n(C)c2c1)OC[C@@](C)(C=Cc1c(O)ccc2ccc(=O)oc12)O4	2356676978	AEXHLHGCDOTWGS-GDLZYMKVSA-N	513.502	4.461	5	1	KIBF	
C[C@@]1(CC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc(n2)[C@@H]1CCC(=O)O)[C@](C)(CC(=O)O)[C@H]5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)c(CCC(=O)O)c3CC(=O)O	2356781264	AVBHZKNQGDKVEA-UJTBVGRBSA-N	862.842	4.365	5	1	KIBF	
CS(=O)(=O)c1ccc(C2=C(CNC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3CC[C@@H](C2)N3CCOc2ccccc2)cc1	72138428	OWFWSGLIPAHJTJ-PWUYWRBVSA-N	561.660	4.498	5	3	KIBF	
C[C@@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1	4044419	LCGUBKQMVLKIFN-LBWWVAKVSA-N	520.517	4.498	5	1	KIBF	
COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	770165	WCVKCZHRZMRBKB-BDYUSTAISA-N	534.569	4.095	5	1	KIBF	
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N@@+](C)(Cc3ccc(O)cc3)C2)s1	253633728	MXCOVFAJNYVLIQ-ICGHTUKESA-O	595.742	4.383	5	1	KIBF	
O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc12	586944432	QVVHHUXMVVCXGM-UHFFFAOYSA-N	507.391	4.483	5	1	KIBF	
O=C1c2c(O)ccc([N+](=O)[O-])c2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21	587575946	LLFQYUORDXPVCS-HSZRJFAPSA-N	542.412	4.070	5	1	KIBF	
CCN(C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(=O)c1cccnc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	203473719	BCKMMMOAMPBHOD-HPUNYJORSA-N	576.675	4.237	5	3	KIBF	
CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4215532	KDRXSYJDEJBGHJ-IRBZQWRBSA-N	532.594	4.463	5	1	KIBF	
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1	102715440	BQBOHWRUTCPNKL-RFZJPIJTSA-N	515.408	4.233	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1N	771648	NWTXIQIPPDJWAN-AZGAKELHSA-N	520.542	4.001	5	1	KIBF	
COc1ccccc1N1CCN(C[C@@H](COc2cccc3c(=O)c4ccccc4oc23)OC(C)=O)CC1	95596653	ZWWAYOKUFBISCW-NRFANRHFSA-N	502.567	4.088	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)CC[C@@H]3C[C@H]([C@H](C(O)O)C4(c5ccc(O)cc5)CCCCC4)O[C@@H]1[C@@]32O	2356764882	UFPJQHFBANWYGK-QCEBIPNBSA-N	739.818	4.154	5	1	KIBF	
COc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1[N+](=O)[O-]	26965146	ROPIHQPYTVGHDI-VWLOTQADSA-N	526.549	4.018	5	1	KIBF	
CN1CCN(CCCNCc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1	96938529	XXIVGOSOYWPDQB-UHFFFAOYSA-N	518.540	4.073	5	1	KIBF	
O=C(O)COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	963029380	YOHFMFVJCSTPAB-SQJMNOBHSA-N	549.923	4.434	5	1	KIBF	
COc1cc2c(cc1OC)[C@@](COc1ccccc1C(N)=O)(c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1N)CC2	963156180	OSLKKYWLKKKUGH-JGCGQSQUSA-N	582.613	4.314	5	1	KIBF	
O=C(Nc1ccc(S(=O)(=O)NCc2cccc(C(=O)O)c2)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	1857555567	VJWUDEWYYPDOKJ-UHFFFAOYSA-N	538.460	4.434	5	1	KIBF	
N=C(N)c1cccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1	29404956	WWLITDFYKJYGEL-UHFFFAOYSA-N	531.550	4.238	5	1	KIBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12	586951501	PHLLCESLDJBQPY-UHFFFAOYSA-N	516.171	4.104	5	1	KIBF	
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1	17577114	QGHYBBFVPCGBPH-QFIPXVFZSA-N	543.393	4.426	5	3	KIBF	
C[N@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@+]8(C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69	253655006	IIYHWTVUYIYKKG-GWYVPVDMSA-N	614.834	4.363	5	1	KIBF	in-vivo
O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@]13C(=C[C@@]2([N+](=O)[O-])[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@H]21)c1ccccc1N3C(=O)c1ccccc1	299815251	MTQUMDGNSOHMRG-FVFWTIJCSA-N	636.620	4.124	5	1	KIBF	
O=C(N1CCOCC1)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	169328728	QSFGBNSTSAEDNQ-UHFFFAOYSA-N	544.534	4.348	5	1	KIBF	
CS(=O)(=O)c1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc([N+](=O)[O-])c1Cl	586926343	NNURBHOISWDWSC-UHFFFAOYSA-N	593.988	4.118	5	1	KIBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC	4076628	BJLKGAFANUNYQP-PXJZQJOASA-N	578.622	4.146	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(CCn4cc([N+](=O)[O-])cn4)n3CC)c(=O)c3ccccc23)c(O)c1	587670119	ODDPCOHTXMVEFE-UHFFFAOYSA-N	617.692	4.007	5	1	KIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	587858984	FCPOTAVMPSWNMV-UHFFFAOYSA-N	527.386	4.174	5	1	KIBF	
O=C(NCc1ccc2c(c1)CN(C(=O)c1ccc(OC(F)(F)F)cc1)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1857767897	ZWZMBAQEWSAMMR-UHFFFAOYSA-N	530.415	4.488	5	1	KIBF	
COc1cc(O)c2c(=O)c3ccc4c(c3n(C)c2c1)OC[C@@](C)(/C=C/c1c(O)ccc2ccc(=O)oc12)O4	15121641	AEXHLHGCDOTWGS-WBKPCLEFSA-N	513.502	4.461	5	1	KIBF	endogenous,in-man
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O	95868993	IRKUNQWGDWYEPQ-UETOGOEVSA-N	620.728	4.432	5	1	KIBF	
COc1c(N2CCN(c3nnc(-c4ccccc4[N+](=O)[O-])s3)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	44430587	ZGOKRLYYMCLRDJ-AWEZNQCLSA-N	580.598	4.324	5	1	KIBF	
CCOC(=O)CC[C@H](NC(=O)[C@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1)C(=O)OCC	100046360	FDJLDJYHLRLUTJ-CEVCMDAWSA-O	543.084	4.017	5	1	KIBF	
COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)S3)cc(OC)c1OC	473166149	DMEYYWIGDSFHHI-KNQAVFIVSA-N	523.527	4.114	5	1	KIBF	
CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621235	SIQJCYOEJLJSAL-UHFFFAOYSA-N	574.612	4.397	5	1	KIBF	
CNC[C@@H]1C[C@@H]2[C@H](O[C@@H]3[C@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@]4(O)[C@H](O)C=C[C@@H]2[C@]34O)[C@H](C2(c3ccc(O)cc3)CCCCC2)[C@@H]1O	2356775885	PHDKXMNOSKUPMF-PUBBTSJVSA-N	790.910	4.445	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O	27518342	AOLQBHBDLWMQMX-HKBLMNGLSA-N	589.689	4.415	5	1	KIBF	
CCOCCN(CCOCC)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1	105176138	FJBHQEMHXDGAAF-UHFFFAOYSA-N	581.670	4.263	5	1	KIBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(Br)cc2[nH]1	587264931	QJJOCNKFKKOLBK-NZFNHWASSA-N	515.118	4.438	5	1	KIBF	
Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587265153	PAHBKLSNKFKCQU-HNNXBMFYSA-N	592.594	4.151	5	1	KIBF	
CC(C)[C@H](NC(=O)N1CC[C@H](C)O1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	28469881	RGKDIVHKQLOMJT-BJPINVTDSA-N	679.174	4.402	5	1	KIBF	
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)s1	95612361	BSPIBNAXTIUUSM-UHFFFAOYSA-N	724.780	4.077	5	1	KIBF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@H]1c1c(C)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12	961951185	NRXIEUFHRSPMGT-ZYPSJOPPSA-N	659.699	4.168	5	1	KIBF	
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cn(-c3ccccc3)nc1-c1cccs1)N(c1cccc([N+](=O)[O-])c1)C=N2	1857628216	MNKXIMNBKHKMAZ-XMMPIXPASA-N	539.577	4.176	5	1	KIBF	
CCOC(=O)[C@@]1(c2cnn(C)c2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963216943	CLYMCEXUEDZLGC-ZOYWYXQUSA-N	657.592	4.009	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCNC(=O)c2ccccc2O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@H]1CCCO1	101489180	UCGVPQZIODJFHF-SKUBCJEJSA-N	565.579	4.071	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3F)c(-n3cncn3)c2c1	587620027	ORFJWLIEAVFVSK-UHFFFAOYSA-N	526.481	4.411	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1	4051897	YTFQPAPVCDUTKK-AGHHOFFYSA-N	514.966	4.466	5	1	KIBF	
CC1=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)OC(C)C)=C(C)N1	31861379	ZVBMOPMHERFLOD-XMMPIXPASA-N	509.515	4.475	5	1	KIBF	
CCOC(=O)[C@@]1(CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)N[C@H](C)Cc2ccc(F)c(Br)c21	587747467	QTKIDLVQNVEJRT-IPQOISQHSA-N	509.328	4.076	5	1	KIBF	
COc1ccc2c(c1OC)[C@]1(C[C@@H]3[C@H]([C@@H](C)O)C(=O)N3[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2	962676632	LPTHLGOYNDXDSX-RLXFMOSKSA-N	683.636	4.248	5	1	KIBF	
COc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3cnc[nH]3)N[C@@]23c2ccccc2-c2nc4ccccc4nc23)cc1	1911580372	JUPLNCDYYPPYDS-VSUKXTEZSA-N	504.550	4.229	5	1	KIBF	
COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCCN3CCC(O)CC3)c2c1)C(=O)NC4=O	13535093	IHQAQVKWEYAOFQ-UHFFFAOYSA-N	510.594	4.178	5	1	KIBF	
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCNCCCCNCCCN)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1	49639427	VNGDAIRGLHSFPO-UHFFFAOYSA-O	744.017	4.086	5	1	KIBF	
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)O	95606637	CQVZLQWNMJRMOA-KCCGAQHSSA-N	789.261	4.101	5	1	KIBF	
COC(=O)C12OC(C(=O)OC)([C@H]3[C@@H]4C[C@@H]([C@@H]5C(=O)N(CCNC(=O)c6cccc7cc8ccccc8nc67)C(=O)[C@@H]45)[C@@H]31)[C@@H]1[C@@H]3C[C@@H]([C@@H]4C(=O)N(CCNC(=O)c5cccc6cc7ccccc7nc56)C(=O)[C@H]43)[C@@H]12	169359783	TVFOSBXCWLIICB-YAGIYILPSA-N	981.031	4.083	5	1	KIBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@]2(CC[C@@H]4CCC[C@@]42c2ccc(O)cc2)[C@@H]1O)[C@@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@]3(O)CO	2356667419	LNLRAQKUUOOBSY-HYNSMCGWSA-N	778.899	4.281	5	1	KIBF	
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1	17577032	IIRGMCJEZDOTOB-NRFANRHFSA-N	529.366	4.384	5	3	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCOc1ccccc1	4153671	WSRZODIGMKOFCN-AOYPEHQESA-N	519.510	4.009	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@@H]1CCCCO1	26471470	OJNHWSSMYRKGLC-BFHSIIEUSA-N	611.629	4.128	5	1	KIBF	
CC1=NC(C)=C(C(=O)OC[C@@H]2CCCCO2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712100	HPZXDQKHWNLDAR-LDPWLSSJSA-N	611.629	4.128	5	1	KIBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c5)[nH]c4c3)cc2)CC1	586925811	JGYDNTYBAFOZMO-UHFFFAOYSA-N	597.097	4.237	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NCCc3ccccc3)c2c1	587621283	RVRRBFJOSXYJTG-UHFFFAOYSA-N	508.556	4.166	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4ccc([N+](=O)[O-])n4)cc3)c(=O)c3ccccc23)c(O)c1	587667687	QBOGOLQWTWAOGA-UHFFFAOYSA-N	538.564	4.457	5	1	KIBF	
COc1cc2c(cc1OC)[C@](COc1ccccc1C(N)=O)(c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1N)CC2	963156188	OSLKKYWLKKKUGH-YTTGMZPUSA-N	582.613	4.314	5	1	KIBF	
O=[N+]([O-])c1cc(CSc2nnc(SCCCN3CCN(Cc4ccccc4)CC3)o2)cc([N+](=O)[O-])c1	1772619934	PINGTGHUEJERQV-UHFFFAOYSA-N	530.632	4.478	5	1	KIBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2c(sc3ncnc(Nc4ccc(F)cc4F)c23)C1	1857544693	KKKDNPVHIWMGBE-UHFFFAOYSA-N	503.512	4.368	5	1	KIBF	
CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2c1	263614509	LVFGMGNFRLRSFM-BMHWHTMQSA-O	662.925	4.321	5	1	KIBF	in-vitro
N=C(N)c1ccc(COc2ccc3cc(C[C@@H](NC(=O)c4ccc([N+](=O)[O-])cc4)C(=O)O)ccc3c2)cc1	1772569852	MVECLMCBSQTHHI-RUZDIDTESA-N	512.522	4.037	5	1	KIBF	
CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1	4215282	DRKSHXHXARRVIY-AFWDCEBSSA-N	513.591	4.346	5	1	KIBF	
O=[N+]([O-])c1cccc(-c2ccccc2CN2C[C@H](O)[C@@H](O)CN(Cc3ccccc3-c3cccc([N+](=O)[O-])c3)S2(=O)=O)c1	14944615	CDHLAWHTOGWIKD-KYJUHHDHSA-N	604.641	4.121	5	1	KIBF	
COc1c[nH]c([C@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1=O	963219070	GRGFPWVOXRRUSK-HOFKKMOUSA-N	628.550	4.255	5	1	KIBF	
CC[C@@]1(O)C[C@H]2C[C@](C(=O)OC)(c3cc(OC)cc4c3[C@@]35CCN6CC=C[C@@](CC)([C@H](OC(C)=O)[C@](O)(C(=O)OC)[C@@H]3N4C)[C@H]65)c3[nH]c4ccccc4c3CC[N+]([O-])(C2)C1	95616258	VUJJODOHYGFANA-MGODNGSMSA-N	826.988	4.004	5	1	KIBF	
O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc12	586943657	CVQLBCWCFNIVHB-UHFFFAOYSA-N	507.391	4.483	5	1	KIBF	
Cc1oc2c(C)c3oc(=O)c(CCC(=O)N4C[C@@H]5C[C@H](C4)Cn4c5ccc([N+](=O)[O-])c4=O)c(C)c3cc2c1C	2356864928	JHAAQYFQQIAMHE-MOPGFXCFSA-N	531.565	4.421	5	1	KIBF	
CC[C@]12C[N@@+]3([O-])CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@@H](C3)[C@H]1O2	255221810	JTXQOORWDLJELA-RQSPLOFCSA-N	824.972	4.020	5	1	KIBF	
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1	586925154	CKLFERFUTSBSJU-UHFFFAOYSA-N	504.540	4.450	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725865	IWIDWVCTAPKWBY-MQIQBBKZSA-N	543.601	4.357	5	1	KIBF	
Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CC(C)(C)CC(=O)O)ccc3n(C)c12	26269696	SASLUGDAZOBEDC-UHFFFAOYSA-N	518.614	4.276	5	1	KIBF	
N=C(N)c1ccc2[nH]c(-c3cc(C(CC(=O)O)CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1	34804664	IZEAYVJCOCSDDH-UHFFFAOYSA-N	502.483	4.433	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Br)c(F)cc3[nH]2)c([N+](=O)[O-])c1	587266882	PXIXHVSXYZFODL-UHFFFAOYSA-N	600.398	4.002	5	1	KIBF	
COc1ccc2c(c1OC)[C@]1(C[C@@H]3[C@H]([C@@H](C)O)C(=O)N3[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2	962676635	LPTHLGOYNDXDSX-WJAZCNRCSA-N	683.636	4.248	5	1	KIBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195205638	UZLXDTRAHGCODD-BDQSFQAYSA-N	804.894	4.359	5	1	KIBF	
COc1cc2c(c(O)c1[C@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@H]1C(C)(C)O)c(=O)c1ccc(O)c(OC)c1n2C	85907214	CWDCMHOLSPPPAS-JXSYCYSGSA-N	670.671	4.209	5	1	KIBF	endogenous,in-man
CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1	770354	ZTADFBVYRBQWRQ-ARNLJNQMSA-N	508.962	4.256	5	1	KIBF	
COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	4208623	IXEWKXDWURSVNB-JYFHCDHNSA-N	553.955	4.445	5	1	KIBF	
COc1cc(O)c(C(=O)c2cccc(O)c2)c(O)c1-c1cc(O)c2oc3c(O)cccc3c(=O)c2c1O	15251992	XKZFGJPNYONQOM-UHFFFAOYSA-N	502.431	4.086	5	1	KIBF	endogenous,in-man
[O-][N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@+]6([O-])CC7=CCO[C@@H]5[C@H]([C@H]13)[C@H]7C[C@@H]46)C2	254133989	RLBPQSFUMJXQQH-PGHKMTQUSA-N	616.762	4.292	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Oc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587290155	UDAVJMAHBVVGQY-CUOCVEGISA-N	727.597	4.357	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]12c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12	963137877	GWVVZHRTVONQDK-IQGLISFBSA-N	507.524	4.134	5	1	KIBF	
CC(C=CC=CC=CC=CC=CC=C(C)C(=O)N[C@H](CC(N)=O)C(=O)O)=C[C@H]1N=C(C=Cc2ccc[nH]2)O[C@H]1C	2356716550	QGRNAHRIQLDWFF-WYMJOSIYSA-N	544.652	4.332	5	1	KIBF	
COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1	4045969	DMEUZXSPJFDZTO-YTMVLYRLSA-N	578.622	4.146	5	1	KIBF	
N=C(NN)c1ccc(C[C@H](NS(=O)(=O)c2ccc3cc4ccccc4cc3c2)C(=O)N2CCCCCC2)cc1	27878352	YYADZJDZGBDGKU-NDEPHWFRSA-N	543.693	4.074	5	1	KIBF	
CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCC1CCCCC1	104960471	YHWDWSDGXAQLBY-OAQYLSRUSA-N	534.660	4.157	5	1	KIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587263041	JOUDIYHUNKLXQD-DQYPLSBCSA-N	510.494	4.043	5	1	KIBF	
CC(C)CN1CC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2c(cccc2[N+](=O)[O-])C1=O	1772599860	SCSZVTNFPKFZHM-UHFFFAOYSA-N	506.603	4.340	5	1	KIBF	
CC1=NC(C)=C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(N)=O	169715682	XPOSJBPBIXCKQH-XNMGPUDCSA-N	531.657	4.088	5	1	KIBF	
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)c3sc5ccccc5n34)C[C@@H]21	299806529	WUTZJFPYEQMVCP-JORQVXCQSA-N	509.559	4.464	5	1	KIBF	
COc1cc2c3c(c1)O[C@](C)(c1cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	587434668	YBYRLYAUBQWCFP-CCLHPLFOSA-N	509.559	4.323	5	1	KIBF	
Cc1ccc(C2=C(C(=O)Nn3cnc([N+](=O)[O-])n3)C(=O)N[C@@](c3ccc(OCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1	1772571285	KIXYHGJIKLOPFW-QHCPKHFHSA-N	598.460	4.328	5	1	KIBF	
CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1cc(Br)ccc1OC	1772625035	OJRYJGYPZZSHGH-LJQANCHMSA-N	521.371	4.394	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1OC[C@H](C(O)O)C1(c2ccc(O)cc2)CCC2(CCCC2)CC1	2356664506	XVUQTJZZHXSQKS-MCUXDCBISA-N	741.834	4.403	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC	4053446	FBZILGHIOXZSJX-IXCJQBJRSA-N	549.580	4.470	5	1	KIBF	
COc1cc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(NCc3ccccc3)c2cc1OC	82125658	FMEPYJDYEQDMCO-UHFFFAOYSA-N	500.559	4.494	5	1	KIBF	
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	586933745	XCWMTMQCBQKPOD-UHFFFAOYSA-N	536.573	4.403	5	1	KIBF	
CCN1C=C[C@]2(C(N)=C1)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963215787	NAKRRRVTEBQDAC-DLLPINGYSA-N	613.583	4.314	5	1	KIBF	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)c1cc(CO[N+](=O)[O-])ccc1[N+](=O)[O-])CC2	43060222	YMZBKKYVPNTKAY-FQEVSTJZSA-N	597.602	4.495	5	1	KIBF	
CC(C)(C)OC(=O)NC1[C@H]2CN(c3cc4c(cc3[N+](=O)[O-])c(=O)c(C(=O)O)c3sc5ccccc5n34)C[C@H]12	101144448	BVQPMRSEDATNDE-KBPBESRZSA-N	536.566	4.233	5	1	KIBF	
C[C@]1(CC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc(n2)[C@H]1CCC(=O)O)[C@](C)(CC(=O)O)[C@H]5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)c(CCC(=O)O)c3CC(=O)O	2356781262	AVBHZKNQGDKVEA-OYYNUYCESA-N	862.842	4.365	5	1	KIBF	
Cc1cc(SCC2=C(C(=O)O)N3C[C@@H](NC(=O)CSc4c(Cl)cc(/C=C/C(=O)NCC(=O)O)cc4Cl)[C@H]3SC2)cc(C)[n+]1CCC[N+]1(C)CCOCC1	150377731	ZVIPJDOMICMDIB-OCTHLVAFSA-P	826.891	4.075	5	1	KIBF	
C[C@]1(c2ccc3c(ccc4ccccc43)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587311623	UKIDQMQQEOBEDW-QPBKTWBUSA-N	636.653	4.118	5	1	KIBF	
CC[C@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1nc([N+](=O)[O-])cc1C	587667039	GHULMPIXYBPFIX-OAQYLSRUSA-N	504.547	4.320	5	1	KIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1	587868835	USHFKWLCAIGYJS-UHFFFAOYSA-N	506.828	4.467	5	1	KIBF	
O=C1CC[C@H](N2C(=O)c3ccc(N4CCN(CCCO[C@H]5C[C@H](Oc6ccc7c(c6)Sc6cc([N+](=O)[O-])ccc6N7)C5)CC4)cc3C2=O)C(=O)N1	1911583555	OECPJMFABVRWAQ-QRQMUESOSA-N	712.785	4.343	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	4055969	CPFKRFKLUBYDDC-LNXUECGXSA-N	539.972	4.077	5	1	KIBF	
O=[N+]([O-])c1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CCN(S(=O)(=O)C5CC5)CC4)cc23)c1	71296305	GDGPHVHMEDBAMH-UHFFFAOYSA-N	535.548	4.388	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)o3)c(=O)c3ccccc23)c(O)c1	587667491	LUKLEWAXSBXVQU-UHFFFAOYSA-N	528.525	4.050	5	1	KIBF	
Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C(=O)O)cc7c(c65)c(c2c1)c34	238765603	ZMCNJTJBKOIRKQ-UHFFFAOYSA-N	536.448	4.442	5	1	KIBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	587745670	KEDRJDWBBCRMNI-YZYGEOQJSA-N	539.398	4.205	5	1	KIBF	
C[C@@H]1CCCCN1CCCNc1ccc([C@@H](CC(N)=O)NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-]	15936210	KKYDNQNLCCULFV-WZONZLPQSA-N	516.042	4.200	5	3	KIBF	
Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1ccc(Br)o1)Nc1ccc([N+](=O)[O-])cc1-3	72119649	GTHCSYYBUUCKLJ-HXUWFJFHSA-N	548.353	4.474	5	1	KIBF	
O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OC1CCCC1)N[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)OC1CCCC1	95542964	MBRAYYFITGBRDK-KAYWLYCHSA-N	743.792	4.243	5	1	KIBF	
CC1=C([C@H](O)CO)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C([C@@H](O)CO)=C5C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C	253632511	GAVJVYKTGGHFIM-XZWHSSHBSA-N	630.698	3.534	5	1	KIBF	
COC(=O)c1cc(C[C@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1	49780548	XCUHKPSXGQGWCF-HOFNJAAVSA-N	620.747	4.434	5	1	KIBF	
O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccc(Br)cc1)c1cccc2c1OCCO2	169337253	OYWCQDXVTYJQKO-TWGQIWQCSA-N	500.305	4.352	5	1	KIBF	
CCOC(=O)[C@@H]1C(C)=N/C(=C\N2CCN(c3ccccc3)CC2)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	169723446	UXHZVISOVSTHIX-LQGQLXOGSA-N	534.613	4.175	5	1	KIBF	
COCCN1C(=O)C[C@]2(C=C1C)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963229112	HEZWFPOCSBMXTD-OOOSNSGVSA-N	658.620	4.447	5	1	KIBF	
NC(=O)c1cc(N2CCC(c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)CC2)ccc1[N+](=O)[O-]	587262879	GHIKOULOMWLELP-UHFFFAOYSA-N	555.016	4.408	5	1	KIBF	
COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O	49756846	FSCMLFCIRXHSIH-GFOCBTRVSA-N	631.546	4.136	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N[C@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1	102715442	BQBOHWRUTCPNKL-WWEWDKITSA-N	515.408	4.233	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Cl)cc(Cl)c3[nH]2)c([N+](=O)[O-])c1	587266616	LSXHTZSWEIGJLB-UHFFFAOYSA-N	572.402	4.407	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Oc4ccc([N+](=O)[O-])cc4Cl)c(F)c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587291634	SAFSMPVEMCSGIQ-HJSWHDQHSA-N	712.035	4.130	5	1	KIBF	
COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(F)cc1	587621303	SUOWQYVCQDWIGI-UHFFFAOYSA-N	527.486	4.042	5	1	KIBF	
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@H](c3ccccc3)N2[C@@H](c2ccccc2)N2CCOCC2)c([N+](=O)[O-])c1	1772622106	LRNYBFUDKFHGJW-ARMFNRFLSA-N	505.531	4.021	5	1	KIBF	
Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O	25988327	FTKMELWZVZBZRX-UHFFFAOYSA-N	562.755	4.381	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)C[C@H]12	26287650	QZEHJMDBYIXFQS-CCDWMCETSA-N	590.637	4.018	5	1	KIBF	
COC(=O)c1ccc(Oc2ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3c2)cc1	587267321	WYGVCEFQMBCOGQ-WHEQGISXSA-N	507.459	4.492	5	1	KIBF	
COc1cc2nc(N3CCC(CNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCn3ccnc3)c2cc1OC	105136471	GJEKAAZOWLKMTR-UHFFFAOYSA-N	588.669	4.209	5	1	KIBF	
CN(C)c1ccc2c(-c3ccc(NC(=S)NCCCOc4ccc(S(N)(=O)=O)cc4)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1	299837997	PWIBDAHFNJPETM-UHFFFAOYSA-O	674.825	4.404	5	1	KIBF	
O=C1c2ccc(O)cc2O[C@@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])[C@H]1c1ccc(F)cc1	587334565	JSOIGMYIQNMTQG-BKMJKUGQSA-N	518.457	4.215	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)NC(=O)CO4)c2c1	587620691	YJOORRDTOCSISY-UHFFFAOYSA-N	590.492	4.466	5	1	KIBF	
COc1cc2c(cc1OC)[C@](C)(c1nn(C)cc1[N+](=O)[O-])N(C(=O)c1ccc(C(F)(F)F)cc1)CC2	962671244	CWUDQYPBWXBZKJ-HSZRJFAPSA-N	504.465	4.326	5	1	KIBF	
COc1ccccc1CNc1nc(N2CC[C@@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])C2)nc2cc(OC)c(OC)cc12	105132543	LGUDVDHRZMKLGW-HXUWFJFHSA-N	572.622	4.493	5	1	KIBF	
CN[C@@H](C)C(=O)N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1	473112116	DANMQJBMVRDNPW-OIFPXGRLSA-N	659.744	4.075	5	1	KIBF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COc3ccc([N+](=O)[O-])c(F)c3)nc1-2	587148858	LTLCWDSEDWSPBP-UHFFFAOYSA-N	529.467	4.112	5	1	KIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(Cn2nc(C)c([N+](=O)[O-])c2C)n1	587866231	XVDZOGBAIGOPLX-UHFFFAOYSA-N	503.441	4.080	5	1	KIBF	
CNC[C@@H]1C[C@@H]2[C@@H]3C=C[C@H](O)[C@]4(O)O[C@H](C(=O)Oc5c(CO)[nH]c6ccc7cc8ccccc8cc7c56)[C@H](O[C@@H]2[C@]2(CC[C@@H]5CCC[C@@]52c2ccc(O)cc2)[C@H]1O)[C@@]34O	2356656412	TZIFYMOUSRXOQR-GYRZULGWSA-N	802.921	4.445	5	1	KIBF	
O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O	103289529	ZOZUIMPZOAWOAC-UHFFFAOYSA-N	549.008	4.249	5	1	KIBF	
CNC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715746	UVICRDSFJQQDJY-XTEPFMGCSA-N	531.657	4.175	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587285515	MGXBCQHXIDWVEN-NDEKLWFNSA-N	712.491	4.055	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21	587730164	WXGFMDLWWWUMGZ-SPSFWMDKSA-N	541.345	4.156	5	1	KIBF	
CC(=CC=CC=CC=CC=CC=CC=CC=C[C@@H]1N=C(C=Cc2ccc[nH]2)O[C@@H]1C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2356752051	JGWQTBBYPIXQNM-PKXQUSJVSA-N	556.663	4.498	5	1	KIBF	
CC(=O)O[C@H]1C[C@@H](O)[C@@H](C)O[C@H]1[C@@]1(C)C(=O)c2cc3[nH]c(cc4nc(cc5cc(C)c(cc1n2)[nH]5)C(=O)[C@@]4(C)[C@H]1O[C@@H](C)[C@@H](O)C[C@H]1OC(C)=O)cc3C	257534455	RQOFTLFCRJDAJR-KWEIXQOXSA-N	742.826	4.153	5	3	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1OC	771639	NOTPTCKEJZGJMK-AZGAKELHSA-N	519.510	4.139	5	1	KIBF	
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCCn3c([N+](=O)[O-])cnc3C)[nH]c3ccc(Cl)cc23)c1	299828869	HLORWOKIAJHNMK-UHFFFAOYSA-N	515.979	4.114	5	1	KIBF	
COC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620553	VEWPYEKPVJZQDV-UHFFFAOYSA-N	527.486	4.047	5	1	KIBF	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@]2(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc32)N1C(=O)OCC1c2ccccc2-c2ccccc21	963225860	BNNNYDURJOQRRO-RHBXAEEVSA-N	755.718	4.449	5	1	KIBF	
CS[C@@]12C(=O)N(C)[C@](C)(SC)C(=O)N1[C@@H]1N(c3ccc4oc5cc(=O)c(N)c(C(=O)O)c-5nc4c3C(=O)O)c3ccccc3[C@]1(c1c[nH]c3ccccc13)[C@H]2O	2356604851	JAFMWNYBHBAYHM-LCOOEADCSA-N	792.852	4.330	5	1	KIBF	
O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	773520	PUIWPHMMGBAEGT-SFHVURJKSA-N	505.458	4.118	5	1	KIBF	
O=[N+]([O-])c1ccc2c(c1)C[C@H](NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2	27763706	MQXWKDIFOXIPIR-AREMUKBSSA-N	536.698	4.276	5	1	KIBF	
CCOC(=O)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169303849	KYKIQEYJCMYACB-VRUIKYSZSA-N	587.994	4.140	5	1	KIBF	
CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)c([N+](=O)[O-])c1	587208595	CEGITKGGJJEPBE-VWLOTQADSA-N	526.526	4.240	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC	767370	RFYLMOHIAKVNDJ-SQHAQQRYSA-N	535.553	4.080	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1	770915	NWQXAXRNXWEKTK-LNXUECGXSA-N	523.973	4.459	5	1	KIBF	
CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	4046057	VSGVPZSDMTZDDM-XCZPVHLTSA-N	546.580	4.239	5	1	KIBF	
COc1cc2c(=O)n(CCN3CCN(Cc4ccccc4)CC3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5	28521008	ODDIQIDHCJJRSO-UHFFFAOYSA-N	552.631	4.267	5	1	KIBF	
COc1cc2nc(N3CCN(CCNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCc3cccs3)c2cc1OC	105127702	XBKVHUGPKIKLEH-UHFFFAOYSA-N	591.694	4.089	5	1	KIBF	
COC(=O)[C@@]12O[C@@](C(=O)OC)([C@H]3[C@@H]1[C@H]1C[C@H]3[C@H]3C(=O)N(CCN=c4c5ccccc5[nH]c5ccccc45)C(=O)[C@@H]13)[C@H]1[C@@H]2[C@H]2C[C@H]1[C@H]1C(=O)N(CCNC(=O)c3cccc4cc5ccccc5nc34)C(=O)[C@@H]21	377825250	RAGYIMOMMQPFED-LARIIUJBSA-N	953.021	4.187	5	1	KIBF	
Cc1onc(-c2nc3c(Br)ncc(Br)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587081036	ZRKBOQWUOCKQGH-UHFFFAOYSA-N	517.525	4.253	5	1	KIBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2cc(OC)c([N+](=O)[O-])cc2OC)nc2sc(Cl)cn12	29132338	VRMZMKBUACAYKG-UHFFFAOYSA-N	562.988	4.222	5	1	KIBF	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(C(=O)CNc2ccc([N+](=O)[O-])cc2Cl)c2ccccc12	73225028	HAHVGQJCHILVAU-QFIPXVFZSA-N	511.922	4.146	5	1	KIBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC	4076619	BJLKGAFANUNYQP-XRKRLSELSA-N	578.622	4.146	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1	587078878	CIVXTZOWMLIGIF-UHFFFAOYSA-N	543.949	4.142	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC	587669773	OWRZEXDIHBFNCL-UHFFFAOYSA-N	504.455	4.366	5	1	KIBF	
C[C@@H]1C[C@]2(C[C@@H](C(=O)O)[C@@H]1C(=O)O)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963224816	MXPHBXSKRXCASZ-ACDBCXKLSA-N	675.603	4.496	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169306080	BBJRXDZOCBYFCX-TWVZQSRDSA-N	587.994	4.140	5	1	KIBF	
CC(=O)O[C@@H]1C[C@@H](O)[C@@H](C)O[C@H]1[C@]1(C)C(=O)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)cc5C)C(=O)[C@@]4(C)[C@H]1O[C@H](C)[C@H](O)C[C@H]1OC(C)=O)[nH]3	254136354	RQOFTLFCRJDAJR-ZRRBIDSQSA-N	742.826	4.153	5	1	KIBF	
CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203602	FRSFELUNQGAPTG-JOYGVZFFSA-N	611.055	4.146	5	1	KIBF	
CC(C)[C@H](NC(=O)N1CC[C@@H](C)O1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	28469877	RGKDIVHKQLOMJT-REICUKPBSA-N	679.174	4.402	5	1	KIBF	
C[C@@]1(c2c3ccccc3cc3ccccc23)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587310423	HNOLQRFAWKZXMF-QCHCXUROSA-N	636.653	4.118	5	1	KIBF	
COc1ccccc1CNCCCCn1c(=O)c2ccc3c(=O)n(CCCCNCc4ccccc4OC)c(=O)c4ccc(c1=O)c2c34	49722815	PMXSHJZMUOBYQO-UHFFFAOYSA-N	648.760	4.223	5	1	KIBF	
COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC	4076655	BJLKGAFANUNYQP-YTMVLYRLSA-N	578.622	4.146	5	1	KIBF	
C[C@@]1(CC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc(n2)[C@H]1CCC(=O)O)c(CC(=O)O)c5CCC(=O)O)c(CCC(=O)O)c4CC(=O)O)[C@](C)(CC(=O)O)[C@H]3CCC(=O)O	150339277	AVBHZKNQGDKVEA-BAGPQDCLSA-N	862.842	4.365	5	1	KIBF	in-vitro,metabolite
COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2COC(C)=O)ccc1OC(C)=O	2356551114	QZEHFDVYSBCXHJ-NOZRDPDXSA-N	520.490	4.333	5	1	KIBF	
Cc1onc(-c2c(F)cccc2F)c1C(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)CC1	44305169	WZZBFHGIZRSPBR-UHFFFAOYSA-N	579.516	4.147	5	1	KIBF	
CCOC(=O)[C@@H]1CSCN1C(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@+]2(C)Cc1ccccc1	253643972	DGXPJTBCIKJVEC-WPRJULQOSA-N	501.072	4.091	5	1	KIBF	
CC[C@H](C)C[C@H](C)C=C(C=C(C)C=CC=CC=CC=CC=Cc1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(=O)o1)C(=O)O	2356656816	YQULWNMZEPTDEC-TYTMOYSMSA-N	612.716	4.128	5	1	KIBF	
CN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1c[nH]c2ccccc12	4794357	HOTLKZVWSFTGIN-RRPNLBNLSA-N	509.566	4.335	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC(C)(C)C	26490269	VKSRRLMIWLCKAX-BSSRNLCFSA-N	583.619	4.400	5	1	KIBF	
O=C(Cc1ccc(NC(=O)c2ccc(O)c(-c3cccc([N+](=O)[O-])c3)c2)cc1)NCCN1CCCCC1	45191740	FHVPAWWBOOBABT-UHFFFAOYSA-N	502.571	4.364	5	1	KIBF	
COc1ccc2nc3c(C(=O)NCCN(C)C)ccc(NCCN(C)CCNc4ccc(C(=O)NCCN(C)C)c5[nH]c6ccc(OC)cc6c(=O)c45)c3c(O)c2c1	95546246	JNOHQGWBYAPGIF-UHFFFAOYSA-N	791.954	4.144	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@H]1CCCCO1	26476565	FJZZEGWNIRLCEP-NZBROUCASA-N	625.656	4.170	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3cn(C)nc3C)c2c1	587620235	SMWNTFHOFXUMEM-UHFFFAOYSA-N	519.486	4.096	5	1	KIBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@@H](C(C)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715719	FYJPURJJRRXYHN-LMSSTIIKSA-N	574.678	4.345	5	1	KIBF	
CSc1sc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(I)c1S(=O)(=O)C(C)C	587183516	WYZNULWDQOKWLN-UHFFFAOYSA-N	524.387	4.103	5	1	KIBF	
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@@H](c3ccccc3)N2[C@@H](c2ccccc2)N2CCOCC2)c([N+](=O)[O-])c1	1772622107	LRNYBFUDKFHGJW-DMDYGQEQSA-N	505.531	4.021	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@H]1CCCO1	26485357	IDFXIZNORARVGR-VNGAGHNVSA-N	625.656	4.170	5	1	KIBF	
O=C1c2ccccc2C[C@]12[C@@H](c1ccc(F)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21	66260091	PDTTWDBJWNZHTQ-ZCUSHOGSSA-N	501.539	4.479	5	1	KIBF	
CCOC(=O)[C@H]1N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@]2([N+](=O)[O-])[C@H]1c1ccccc1O[C@@H]2c1ccc(OC)cc1	103211364	RKJYDMRQQNOIRY-HDHXAKMKSA-N	519.510	4.112	5	1	KIBF	
CN(C)CCOCCOC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104964541	LMCMQKWSDLKBKQ-RUZDIDTESA-N	627.720	4.035	5	1	KIBF	
O=C(O)[C@@H]1[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl	587010038	DXCPIOUGALHZRP-UQIHICMWSA-N	506.944	4.496	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cn(C)nc3C)c(C(=O)C(F)F)c2c1	587620228	SKOIVVTXPRWRHW-UHFFFAOYSA-N	519.486	4.042	5	1	KIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cc(C(=O)O)c(N)c12	587750419	IBVYAUWMXINDKC-CCGUKBGLSA-N	526.318	4.147	5	1	KIBF	
COc1ccc2c(c1)c(CC(=O)N[C@@H](C)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c(C)n2C(=O)c1ccc(Cl)cc1	1857562679	ZECZODMXDXKHFB-HNNXBMFYSA-N	647.493	4.414	5	1	KIBF	
COc1c(OC[C@H](O)CN(C)C)cc2oc3cc(OC[C@@H](O)CN(C)C)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	1857743951	IQSKPFVDZCNMAL-XZOQPEGZSA-N	612.764	4.280	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccccc1F	771635	YGSADHDGBGVOET-AZGAKELHSA-N	521.501	4.312	5	1	KIBF	
O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4056003	CWLXPPAEVIRWDN-VWNXMTODSA-N	509.902	4.264	5	1	KIBF	
CO[C@@H]1[C@H](N(C)C(N)=O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	85894021	DBXMGCYZCUKZRO-YFSCRWCDSA-N	509.566	4.145	5	1	KIBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cccc([N+](=O)[O-])c2[nH]1)OCc1ccccc1	587220889	HCOHQLJPXLZUIW-NSOVKSMOSA-N	620.666	4.353	5	1	KIBF	
CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N2C(=O)OC(C)(C)C	962706444	GNZODVXEEKHMKH-PXDATVDWSA-N	500.479	4.203	5	1	KIBF	
CC(=O)N1N=C(c2ccc(I)cc2)C[C@@H]1c1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1	653798220	DMMPWCJPEZQOPE-JOCHJYFZSA-N	587.374	4.259	5	1	KIBF	
O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2ccc(I)c([N+](=O)[O-])c2)N1	962918973	AFRFGXQHHOPHHG-FPOVZHCZSA-N	532.290	4.386	5	1	KIBF	
COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5c(OC)cccc5oc4c3O[C@@H]2COC(C)=O)ccc1O	40872440	JGUCFADCNWOGOA-QPPBQGQZSA-N	508.479	4.122	5	1	KIBF	biogenic
CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)/c(=N/c2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)cs2)s1	103281723	KQKBDFNQYOCGFS-LCUIJRPUSA-N	533.595	4.198	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(C2(O)CCCC2)[C@@H](O)[C@H]1OCc1ccccc1	2356375335	ZGYVLYDUPZTZQR-HHISBTQYSA-N	583.637	4.211	5	1	KIBF	
CCCCNC(=O)[C@@H](C)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C	72136962	CZRRTGLKHDETEW-OOWIMERYSA-N	650.777	4.154	5	3	KIBF	
COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC	767368	RFYLMOHIAKVNDJ-SHQCIBLASA-N	535.553	4.080	5	1	KIBF	
CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	767382	YAWKNMOYCGNQRW-VPUSJEBWSA-N	519.554	4.461	5	1	KIBF	
O=[N+]([O-])c1ccc2nc(N3CCN(c4ccccc4F)CC3)c(N3CCN(c4ccccc4F)CC3)nc2c1	72107080	CWDGSDNNGCALOI-UHFFFAOYSA-N	531.567	4.469	5	1	KIBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	169729257	VATGWEZOSFWWCV-RMTZWNOUSA-N	505.571	4.424	5	1	KIBF	
Cc1c(Cl)ccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	587265973	IAVDRBNJSSBWIB-UHFFFAOYSA-N	551.984	4.062	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587569579	RIBPFVFQSVYZNB-JIPXPUAJSA-N	539.468	4.039	5	1	KIBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@]2(CC[C@@H]4CCC[C@@]42c2ccc(O)cc2)[C@@H]1O)[C@@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@@]3(O)CO	2356667418	LNLRAQKUUOOBSY-CHBUORHQSA-N	778.899	4.281	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c([N+](=O)[O-])c1	587267361	XOIBUTIZAZJIFH-UHFFFAOYSA-N	622.504	4.149	5	1	KIBF	
COC(=O)c1cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c(F)c1Nc1ccccc1	587271023	XDVMSRWREAFWPB-SFHVURJKSA-N	506.494	4.039	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Oc4ccc([N+](=O)[O-])cc4Cl)c(F)c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587291632	SAFSMPVEMCSGIQ-CUOCVEGISA-N	712.035	4.130	5	1	KIBF	
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)N1C(=O)c1ccc(Cl)cc1	963016635	MFRYSCVTGCDJCF-RXFWQSSRSA-N	534.887	4.216	5	1	KIBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC	767737	IWGMMOBHDZLXKI-XNMGPUDCSA-N	535.553	4.080	5	1	KIBF	
COC(=O)[C@@H]1C[C@H](OC(=O)c2cccc([N+](=O)[O-])c2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C	29055022	HTUWKTCIVIWVHI-XAGHGKQISA-N	539.537	4.202	5	1	KIBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1	587116722	CLZNBCFFFAFWLN-UHFFFAOYSA-N	556.549	4.043	5	1	KIBF	
COC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1cccc([N+](=O)[O-])c1	587621593	WNLSMURSBAHXTB-UHFFFAOYSA-N	540.510	4.176	5	1	KIBF	
COc1c(OC[C@@H](O)CN(C)C)cc2oc3cc(OC[C@@H](O)CN(C)C)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	1857743949	IQSKPFVDZCNMAL-GOTSBHOMSA-N	612.764	4.280	5	1	KIBF	
CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	767352	YGCOKEGGFSQCOS-AOYPEHQESA-N	503.511	4.173	5	1	KIBF	
COc1ccc(CNc2nc(N3CCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc3cc(OC)c(OC)cc23)cc1OC	105115961	DFKRYXSBRSFNLB-UHFFFAOYSA-N	602.648	4.455	5	1	KIBF	
COC(=O)[C@@]12O[C@@](C(=O)OC)([C@H]3[C@@H]1[C@H]1C[C@H]3[C@H]3C(=O)N(CCN=c4c5ccccc5[nH]c5ccccc45)C(=O)[C@@H]13)[C@@H]1[C@H]3C[C@@H]([C@@H]4C(=O)N(CCNC(=O)c5cccc6cc7ccccc7nc56)C(=O)[C@@H]43)[C@H]12	377825251	RAGYIMOMMQPFED-NCCHHEJTSA-N	953.021	4.187	5	1	KIBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)OCc1ccccc1	587223057	LUTQRCNKBFZVJL-IHLOFXLRSA-N	620.666	4.353	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	64573233	UOCNUTYNIHRYPD-NUKCWJJBSA-N	517.513	4.053	5	1	KIBF	
COc1ccc2cc([C@@H]3CC=C(CO)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])n(C(=O)OC(C)(C)C)c2c1	95600318	DUOHWZCRXVWBNF-FQEVSTJZSA-N	543.598	4.396	5	3	KIBF	
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1	263591724	BQBOHWRUTCPNKL-AFMUBRCDSA-N	515.408	4.233	5	3	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC	4154144	VIFDXNXWZUPYRG-IAPPQJPRSA-N	563.563	4.190	5	1	KIBF	
COCCNc1ccc(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)cc1[N+](=O)[O-]	587265215	MOSXZSKWKOWYEP-UHFFFAOYSA-N	557.655	4.239	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1	587667458	JOOBGRXZGWHBHR-INIZCTEOSA-N	518.574	4.313	5	1	KIBF	
O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4208164	JFBGKPDPCIFQQS-ISKFKSNPSA-N	509.902	4.264	5	1	KIBF	
O=C(N[C@H](CSCc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104961568	NSIHXTHSDDJXHT-HSZRJFAPSA-N	553.710	4.352	5	1	KIBF	
CC(C=CC=C(C)C=CC=C(C)C=C[C@H](OCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=C[C@@H](OCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O	2356521615	FYRKXPCNKQDFFH-PPONLFPZSA-N	985.218	4.418	5	1	KIBF	
Cc1c(CN(CCc2ccc([N+](=O)[O-])cc2)C2CCN(C(=O)c3ccccn3)CC2)c(=O)n(-c2ccc(F)cc2)n1C	28897894	LIJGGUJVCSVBQZ-UHFFFAOYSA-N	572.641	4.276	5	1	KIBF	
O=[N+]([O-])c1c(Br)ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12	587170792	SIWXKMBQPSPUKP-QGZVFWFLSA-N	505.325	4.441	5	1	KIBF	
N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]2)cn3C2CC2)C1	587171933	AYNWHZBFDSNWQE-ZDUSSCGKSA-N	521.509	4.153	5	1	KIBF	
CCN(CC)C(=O)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)c2sc4ccccc4n23)C1	101465571	GLAMRIWTSKFFTJ-OAHLLOKOSA-N	522.583	4.359	5	1	KIBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c(F)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O	586906573	FEOYRDQTFJZQAO-XSEOHNTGSA-N	599.656	4.007	5	1	KIBF	
Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1C	587286820	UDZDTQZYXXXJJA-CBECFOCPSA-N	706.100	4.018	5	1	KIBF	
COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3n(C)c2c1	40952192	UMCFFCUPPULGFJ-UHFFFAOYSA-N	513.520	4.032	5	1	KIBF	
CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3[nH]c4ccccc4c(=O)c23)c2c(=O)c3ccccc3[nH]c12	95542596	QXCHSGGVBVDZLT-UHFFFAOYSA-N	759.956	4.495	5	1	KIBF	
Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	587953829	TYJZRPMWMSDXFM-VXKWHMMOSA-N	521.457	4.435	5	1	KIBF	
COc1c(NS(=O)(=O)c2ccc(N3CCCCC3)cc2)cc2oc3cccc(OC)c3c(=O)c2c1O	1857641566	AKIKOAZBDBXVNV-UHFFFAOYSA-N	510.568	4.460	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	4080261	VHCJEBUVTCGLJQ-VWNXMTODSA-N	510.934	4.256	5	1	KIBF	
CCOC(=O)[C@@H]1CSCN1C(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@@+]2(C)Cc1ccccc1	253643957	DGXPJTBCIKJVEC-FZBCZRDYSA-N	501.072	4.091	5	1	KIBF	
COc1cc([C@H]2C3=C(COC3=O)N(CCc3ccc([N+](=O)[O-])cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC	653821646	FWBPINALCYVSMX-AREMUKBSSA-N	546.532	4.355	5	1	KIBF	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@]2(CCC[C@H]3CN[C@@H](C(=O)O)[C@H]32)N1C(=O)OCC1c2ccccc2-c2ccccc21	963227403	CGNSPHKGRPIRFC-AQGWJWROSA-N	658.620	4.137	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1OC	4155185	FVRSSPFWEAWWKN-VPUSJEBWSA-N	535.553	4.428	5	1	KIBF	
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2)C(=O)O)cc1	26282208	AAQGLFLATBVJPM-GOTSBHOMSA-N	519.554	4.060	5	1	KIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(I)cnc(Cl)c2[nH]1	587265912	YHMMWMIXIYLXBP-MRVPVSSYSA-N	516.679	4.475	5	1	KIBF	
N[C@@H](CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587269391	BQZQILAGWUGRLP-ZDUSSCGKSA-N	502.247	4.031	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC	4042607	CXPKUAWNNWNFNG-XRKRLSELSA-N	561.639	4.413	5	1	KIBF	
O=C(CCN1CCCCC1)NCc1cccc2cc3cccc(CNC(=O)CCN4CCCCC4)c3nc12	45285538	UBCOBJFXGLVDDH-UHFFFAOYSA-N	515.702	4.372	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)c3cc(-c5ccc([N+](=O)[O-])cc5)on3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	95596454	ZDALYGPEFXWDQJ-GVGYXHIPSA-N	629.578	4.410	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1OC[C@H](C(O)O)C1(c2ccc(O)cc2)CCC2(CCCC2)CC1	2356664505	XVUQTJZZHXSQKS-LNAJOFQXSA-N	741.834	4.403	5	1	KIBF	
COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	4211318	MTRLERWZXGTCAM-AZGAKELHSA-N	553.955	4.445	5	1	KIBF	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	103287558	UAYSNOPJKNCJLB-LJAQVGFWSA-N	604.704	4.106	5	1	KIBF	
Cc1ccc(Oc2c([C@@H]3Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)c3ccccc3n2C)c([N+](=O)[O-])c1	587296704	CBXPGMQLHNXLOO-HHLIXYJYSA-N	726.691	4.138	5	1	KIBF	
COC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620561	VJVOMCHBPXAAJV-UHFFFAOYSA-N	523.392	4.326	5	1	KIBF	
O=C(c1c(Cc2cc(F)c(F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12)N1CCn2c(nnc2C(F)(F)F)C1	587646324	NYYCCXYYWMZRQQ-UHFFFAOYSA-N	524.381	4.351	5	1	KIBF	
CC(=O)Cc1cc(O)c2c(O)c3c(O)cc(=O)c(-c4c(=O)cc(O)c5c(O)c6c(O)cc(C[C@H](C)O)oc6cc45)c3cc2o1	2356542768	FATOQVKFHDKOOP-NSHDSACASA-N	600.532	4.161	5	1	KIBF	
O=C(Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1)Nc1cccc(C(=O)N2CCCCC2)c1	95567940	DHDNVDYWRVBIQX-UHFFFAOYSA-N	633.727	4.442	5	3	KIBF	
COc1ccc(-c2nnnn2CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	84723167	QIPFUZXIFKLCIG-HSZRJFAPSA-N	517.933	4.288	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	4045872	VVYGCKCEIOMXFH-XRKRLSELSA-N	578.622	4.146	5	1	KIBF	
COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4076038	WCVKCZHRZMRBKB-XNMGPUDCSA-N	534.569	4.095	5	1	KIBF	
CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccc(OC)cc2)nc1-c1cccc([N+](=O)[O-])c1	105163792	KAUGOUCQXFJQOZ-UHFFFAOYSA-N	537.617	4.230	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cccc(OC)c1OC	4154112	VUYOPHVBJXFPKU-UHSQPCAPSA-N	579.606	4.479	5	1	KIBF	
O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12	586950905	FXQJPTQVCPSBSA-UHFFFAOYSA-N	516.171	4.104	5	1	KIBF	
CSCC[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12)c1nc2ccccc2[nH]1	2356866894	ZVRDHXZSAUYXSU-YYPNVPEFSA-N	584.702	4.408	5	1	KIBF	
CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3[nH]c4ccc(O)cc4c(=O)c23)c2c(O)c3cc(O)ccc3nc12	95541947	PTMRWOMXJIZEQQ-UHFFFAOYSA-N	791.954	4.318	5	1	KIBF	
CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3cc([N+](=O)[O-])ccc23)n1	587647610	KCKFLVFXWTZEPR-UHFFFAOYSA-N	508.487	4.299	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)CN(C)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	253961387	UOCNUTYNIHRYPD-YNOBPPCASA-N	517.513	4.053	5	1	KIBF	
O=C(NCCN=c1nc(Cl)nc(Cl)[nH]1)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1	1857650773	ZCIXZCXOEHXSHV-UHFFFAOYSA-N	523.340	4.047	5	1	KIBF	
COC(=O)C[C@@H]1Cc2c(c(=O)c3c(O)ccc4c5c6c(c(=O)c7c(O)ccc(c2c34)c75)[C@H](C)O[C@H](CC(=O)OC)C6)[C@H](C)O1	2356413076	MLRHPPKTWOMOBV-VGWMRTNUSA-N	598.604	4.437	5	1	KIBF	
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C	29054886	AIYZBEMRHIYEJI-XAGHGKQISA-N	539.537	4.202	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ncc(Br)cc1[N+](=O)[O-]	963072037	NQBLNSKGCLFWSY-ZJBJCVSYSA-N	561.389	4.320	5	1	KIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc(I)c1O	587571240	PTEMAFHAYOVDDY-OXQOHEQNSA-N	505.220	4.314	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC	4053429	RAGBJZBNARFUOZ-AHKZPQOWSA-N	533.537	4.182	5	1	KIBF	
CC1=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)OC(C)C)=C(C)N1	31861377	ZVBMOPMHERFLOD-DEOSSOPVSA-N	509.515	4.475	5	1	KIBF	
O=C(CCCN1CCCC1)NCc1cccc2cc3cccc(CNC(=O)CCCN4CCCC4)c3nc12	45288194	DPNRVYJYCOXFLT-UHFFFAOYSA-N	515.702	4.372	5	1	KIBF	
CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(-c2ccc(F)c([N+](=O)[O-])c2)nn1)C(F)(F)F	169309338	GOVZEOVXBQGDMV-NRFANRHFSA-N	508.384	4.129	5	1	KIBF	
COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@@H]2COC(C)=O)ccc1OC(C)=O	2356551113	QZEHFDVYSBCXHJ-ILBGXUMGSA-N	520.490	4.333	5	1	KIBF	
Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N@+](C)(Cc4ccc(O)cc4)C3)cc2)n1	254100334	BBZAUBUMPUAXPU-OZIKFCGLSA-O	585.685	4.114	5	1	KIBF	
CC[C@H](C)[C@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203601	FRSFELUNQGAPTG-GDNUSQEOSA-N	611.055	4.146	5	1	KIBF	
COc1cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC	1861051	UZIJCQQPNFGRQR-MLJBDGAYSA-N	510.524	4.122	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC	4041771	FGXCVRSPXCSJED-VPUSJEBWSA-N	536.560	4.268	5	1	KIBF	
CC1=NC(C)=C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(N)=O	169715684	XPOSJBPBIXCKQH-AHKZPQOWSA-N	531.657	4.088	5	1	KIBF	
COc1ccc(CCC[N@@+]2(CCCc3ccccc3)CCC[C@H](NC(=O)c3nc(Cl)c(N)[nH]c3=N)C2)cc1	473135672	RJZUXHZQSWKSTP-LJJVSIPNSA-O	538.116	4.108	5	1	KIBF	
CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620695	YSRWZXVLCIWVGY-UHFFFAOYSA-N	541.513	4.437	5	1	KIBF	
Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CC[N+](C)([O-])CC6)ccn45)cccc32)n1	117894857	MJSXGOGSMMWYMH-UHFFFAOYSA-N	580.693	4.204	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	4081249	OHVLUTDHZVVGFR-OPHFCASCSA-N	525.945	4.207	5	1	KIBF	
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)O	95612353	GVHOYMBPDIKJRB-LOBJQDIOSA-N	801.297	4.458	5	1	KIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1nc(-c2cnn3ccc(Br)cc23)cs1	103299134	NMWILMJPOZSGLP-UHFFFAOYSA-N	508.379	4.262	5	1	KIBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N@+](C)(Cc3ccc(F)cc3)C2)cc1	253670988	DZIWUHCUDURPKK-VBAJVPKMSA-O	577.677	4.366	5	1	KIBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1	4042597	IXXDXUJVFUPVSC-XCZPVHLTSA-N	545.596	4.124	5	1	KIBF	
COc1cc2nc(N3CCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCc3cccs3)c2cc1OC	105115948	KWKPSIHUBORHGR-UHFFFAOYSA-N	548.625	4.500	5	1	KIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cc(C(=O)O)c(N)c12	587751473	MWSUHZKDUYHKRL-VKTRGTBVSA-N	526.318	4.147	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC	4045776	ZAWWZSPWANXXIE-GGXMVOPNSA-N	578.622	4.146	5	1	KIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1	586949181	TVKFGLOWUJNKEA-UHFFFAOYSA-N	507.572	4.080	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Oc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587290159	UDAVJMAHBVVGQY-HJSWHDQHSA-N	727.597	4.357	5	1	KIBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	772627	VHCJEBUVTCGLJQ-LADGPHEKSA-N	510.934	4.256	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)[C@H]1c1cccc([N+](=O)[O-])c1	29210060	RXFTYUBJWFLBQV-XXASTYAFSA-N	575.622	4.366	5	1	KIBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1	587117064	FYGVQJIYODXXHA-UHFFFAOYSA-N	570.576	4.085	5	1	KIBF	
NS(=O)(=O)c1cc([C@@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1F	963242193	XMKCYTXUXHISCE-RPLLCQBOSA-N	678.607	4.345	5	1	KIBF	
COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCn3ccnc3)c2cc1OC	105113418	VVYAWEAFNYEFJQ-UHFFFAOYSA-N	590.685	4.171	5	1	KIBF	
COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(OC)cc1F	587620014	OFRBWPBQECCKPU-UHFFFAOYSA-N	557.512	4.051	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	768720	IPALNKYESXWGOB-BSDZUQITSA-N	575.018	4.483	5	1	KIBF	
O=c1nc(SCCOc2ccc([N+](=O)[O-])cc2)[nH]c(Cc2ccccc2)c1I	222057702	UOLZGACOTHKNBJ-UHFFFAOYSA-N	509.325	4.045	5	1	KIBF	
CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587205751	TYGZZZVSHKCCCY-GUXXDCGNSA-N	655.506	4.255	5	1	KIBF	
CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C	963146238	NSZWKCPENGQKHD-QAPCUYQASA-N	516.532	4.045	5	1	KIBF	
O=C(O)[C@H]1[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl	587010035	DXCPIOUGALHZRP-MPCSLWBPSA-N	506.944	4.496	5	1	KIBF	
CNC[C@@H]1C[C@@H]2[C@H](O[C@@H]3[C@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@]4(O)[C@H](O)C=C[C@@H]2[C@]34O)[C@H](C2(c3ccc(O)cc3)CCCC2)[C@H]1O	2356350819	KEBKXFYGGYVZBT-RZGLSKHOSA-N	776.883	4.055	5	1	KIBF	
O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1=O	473150258	LPRJNULURVOLPV-NSOVKSMOSA-N	633.082	4.495	5	1	KIBF	
COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N	963133343	BHEPBEUJKXFOTQ-NDEPHWFRSA-N	503.555	4.481	5	1	KIBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c([N+](=O)[O-])cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586911933	NDYZDTRLQBPRER-KCBFGESDSA-N	658.749	4.284	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC	587668922	IZVQLLHGWUMFLB-QGZVFWFLSA-N	505.531	4.484	5	1	KIBF	
COc1ccc2c(=O)c3c(O)cc4c(c3n(C)c2c1[C@]1(O)C(=O)c2cc(C)cc3ccc(=O)n1c23)C=CC(C)(C)O4	653702459	XLPUBLKUJHSITH-YTTGMZPUSA-N	550.567	4.103	5	1	KIBF	
C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@H]3c3nc(-c4ccc([N+](=O)[O-])cc4)no3)c(O)c2C(=O)O1	962964781	HFSJMFFPQLHYFR-VJHPCUNCSA-N	604.959	4.346	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	4208652	CLIZDUJGVQAELN-AHWVRZQESA-N	553.955	4.445	5	1	KIBF	
COCCOc1ccc(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)cc1[N+](=O)[O-]	587266072	VHZMTRVKZLJMGH-UHFFFAOYSA-N	558.639	4.206	5	1	KIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(I)c1O	587571238	PTEMAFHAYOVDDY-JXFKEZNVSA-N	505.220	4.314	5	1	KIBF	
CN1CCN(NC(=O)c2ccc([C@H]3CC(=O)N(Cc4ccccc4[N+](=O)[O-])c4ccccc4S3)cc2)CC1	1857773285	GOTVIOYVQRHLIN-AREMUKBSSA-N	531.638	4.257	5	1	KIBF	
COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	4208683	XTJUVNSRTMMATQ-AZGAKELHSA-N	553.955	4.445	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@]32F)OCO4)cc(OC)c1O	29216756	LLTQTWHMORBHBP-UKLCIFCESA-N	538.484	4.226	5	1	KIBF	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCc1nc2c3ccccc3c3ccccc3c2[nH]1	587044958	APPPWUIYFZDRIZ-VRCSSVMSSA-N	751.947	4.353	5	1	KIBF	
COC(=O)c1cc(NC(=O)c2cccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)c2)cc(C(=O)OC)c1	621476491	GEJPCEDMWWGCIG-UHFFFAOYSA-N	553.483	4.374	5	1	KIBF	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)c1	653784816	NMXHWSGOIHHSLD-UHFFFAOYSA-N	502.568	4.155	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	73240860	LKQKUGXJPJQUPL-JMBFNUQRSA-N	561.591	4.496	5	1	KIBF	
O=C(N[C@@H](COCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104968398	VMQGFXRYFKXIPW-QHCPKHFHSA-N	532.578	4.214	5	1	KIBF	
Cc1c(Cl)nc(N[C@H](NC(=O)OCCn2c([N+](=O)[O-])cnc2C)C(Cl)(Cl)Cl)nc1Cl	1857556310	DBJLURAPCHTGKM-LLVKDONJSA-N	521.576	4.040	5	1	KIBF	
COc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)CC4)ccc3n2)cc1OC	1857603347	PXYHMFJZCLEHFB-UHFFFAOYSA-N	520.567	4.405	5	1	KIBF	
Cc1cc(F)cc([C@H](N)Cn2c(=O)c(N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c(C)n(Cc3c(F)cccc3F)c2=O)c1	1857750857	CEDSWCIKNDKZLI-GDLZYMKVSA-N	622.648	4.023	5	1	KIBF	
CSc1c(-c2c(-c3c[nH]c4ccc(O)cc34)c(=O)n3c4ccc(O)cc4c4cc(C(=O)O)nc2c43)n(C)c[n+]1C	205743641	HLODZIKZHIHUPH-UHFFFAOYSA-O	552.592	4.248	5	1	KIBF	
COc1cc(Cn2c3ccc(NC(=O)CCN(C)C)cc3c(=O)c3cc(NC(=O)CCN(C)C)ccc32)cc(OC)c1	1857605843	CZYWZTSLGICKCF-UHFFFAOYSA-N	573.694	4.001	5	1	KIBF	
C[C@@H](Nc1ncnc2c1cc(-c1ccc(CNCCN)cc1)n2CCCCCC(=O)NO)c1ccccc1	138932903	HLODHAJQUHKYBO-OAQYLSRUSA-N	515.662	4.386	5	1	KIBF	
COc1cc2c(=O)c3c(O)c(C/C=C(/C)CO)c(O)cc3oc2c(O)c1CC[C@](C)(O)CCCC(C)(C)O	144232172	QHWGCVYVZATLQE-ZLZCVHDKSA-N	530.614	4.178	5	1	KIBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCc1ccccc1	587226661	WVWHFGJFZWCAQT-VMPREFPWSA-N	638.656	4.492	5	1	KIBF	
CC[C@]12C[N@+]3([O-])CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@@H](C3)[C@H]1O2	255221809	JTXQOORWDLJELA-COOUVBKBSA-N	824.972	4.020	5	1	KIBF	
COc1ccc(C(=O)O[C@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@H]23)OCO4)c([N+](=O)[O-])c1	299826191	ZKGNBFUHVPLJBN-VIIGGRGYSA-N	593.541	4.191	5	1	KIBF	
CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CC(F)(F)F	587619165	BNOSNMFDBRBPRK-UHFFFAOYSA-N	501.439	4.167	5	1	KIBF	
COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O	49756848	FSCMLFCIRXHSIH-HMAILUFVSA-N	631.546	4.136	5	1	KIBF	
C1=C2C[N@@+]3(C[C@@H]4CO4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2[C@@]23CC[N@@+]4(C[C@@H]5CO5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34	299811119	CEGSIWNYKYHGFO-VBLLAQQQSA-N	698.908	4.094	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(=O)O)c(-c3ccccc3[N+](=O)[O-])c2c1	587621617	XDRRQKVGGZVYJW-UHFFFAOYSA-N	512.456	4.159	5	1	KIBF	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@]2(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc32)N1C(=O)OCC1c2ccccc2-c2ccccc21	963225859	BNNNYDURJOQRRO-IVUOSGLUSA-N	755.718	4.449	5	1	KIBF	
COc1ccc(C(=O)c2[nH]c3cc(Cl)ccc3c2Nc2nc(N3CCOCC3)ncc2[N+](=O)[O-])cc1	1772580383	CVEGHFXUQUGRPA-UHFFFAOYSA-N	508.922	4.339	5	1	KIBF	
CC(C)=CCc1c2c(=O)c3c(O)ccc(O)c3c(O)c-2c2c(=O)c3c(O)cc([C@H](O)CC=C(C)C)c(O)c3c(=O)c1=2	85860699	IJOMBGMKPBTOCU-MRXNPFEDSA-N	556.567	4.205	5	1	KIBF	biogenic,in-vitro
CCOCCN(CCOCC)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1	82135359	XMTOZOFCGUESJO-UHFFFAOYSA-N	525.581	4.361	5	1	KIBF	
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)O	95606638	CQVZLQWNMJRMOA-PFTJVURESA-N	789.261	4.101	5	1	KIBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	103288973	OBISJMILURQNPB-NDEPHWFRSA-N	532.641	4.389	5	1	KIBF	
N=c1[nH]c(N)c(Cl)nc1C(=O)N[C@H]1CCC[N+](CCCc2ccc(OCC(=O)NCCc3ccccn3)cc2)(CCCc2ccc(OCC(=O)NCCc3ccccn3)cc2)C1	473134798	HZXNZLLIFBEXBC-QNGWXLTQSA-O	864.472	4.365	5	1	KIBF	
Cc1cc2[nH]c([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)nc2cc1[N+](=O)[O-]	586910472	PBXGRMPMADLSED-FJAUNIDNSA-N	595.693	4.177	5	1	KIBF	
CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1c[nH]c2ccccc12	4794356	HOTLKZVWSFTGIN-SXOMAYOGSA-N	509.566	4.335	5	1	KIBF	
COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O	49756850	FSCMLFCIRXHSIH-GDZAYFCTSA-N	631.546	4.136	5	1	KIBF	
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N+]3([O-])C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC	238775030	VRKGMHQUKPFVFT-DMUFBCNISA-N	624.687	4.184	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587314759	MSZCHJWWPSHGHS-LMWQPGMKSA-N	710.113	4.350	5	1	KIBF	
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@@H](c3ccccc3)N2[C@H](c2ccccc2)N2CCOCC2)c([N+](=O)[O-])c1	1772622110	LRNYBFUDKFHGJW-SKBVVQJISA-N	505.531	4.021	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2C12c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc12	963137084	HGUYJGPUIVUPQF-IBGZPJMESA-N	524.511	4.478	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1OC	771654	FVRSSPFWEAWWKN-BDYUSTAISA-N	535.553	4.428	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cccc(OC)c1OC	4154108	XNGXIUPZSWKBRA-NAKRPHOHSA-N	563.563	4.190	5	1	KIBF	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O	27518345	AOLQBHBDLWMQMX-WCSHJNDUSA-N	589.689	4.415	5	1	KIBF	
COc1cc2c(cc1OC)CN(CCn1cc(COc3ccccc3NC(=O)c3cccc([N+](=O)[O-])c3)nn1)CC2	299840293	UWJZFDVJOBTJIP-UHFFFAOYSA-N	558.595	4.093	5	1	KIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587263040	JOUDIYHUNKLXQD-CSMYWGQOSA-N	510.494	4.043	5	1	KIBF	
COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1c(F)cccc1F	587619480	GREOUJLSQPOKIR-UHFFFAOYSA-N	545.476	4.181	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4208250	YNZAQYQNPRXGIO-BSDZUQITSA-N	575.018	4.483	5	1	KIBF	
CCCS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(c4nc(C(C)C)no4)CC3)c2[N+](=O)[O-])cc1	40866505	FTXDUXBGXXFBLF-UHFFFAOYSA-N	515.596	4.203	5	1	KIBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@](=O)(Oc4ccc([N+](=O)[O-])cc4)OP(=O)(O)O)C=C[C@@]31CCN(C)C2	49679713	QHAJPODVYRAMGA-RXOAXKDUSA-N	568.412	4.079	5	1	KIBF	
CC(C)[C@H](C)OC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H](C)C(C)C	161878771	VSWRJZIBKDKTKR-HSWFVFMJSA-N	747.824	4.447	5	1	KIBF	
COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	4208622	IXEWKXDWURSVNB-OZXSUGGESA-N	553.955	4.445	5	1	KIBF	
CN1CCN(CCCNCc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(C(F)(F)F)cc2)CC1	96938552	CYFORYDBVMFTCG-UHFFFAOYSA-N	502.541	4.193	5	1	KIBF	
CC1=NC(C)=C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(N)=O	169715681	XPOSJBPBIXCKQH-VPUSJEBWSA-N	531.657	4.088	5	1	KIBF	
C[C@]1(CC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc(n2)[C@@H]1CCC(=O)O)c(CC(=O)O)c5CCC(=O)O)c(CCC(=O)O)c4CC(=O)O)[C@](C)(CC(=O)O)[C@H]3CCC(=O)O	2356781260	AVBHZKNQGDKVEA-CKEPRLFTSA-N	862.842	4.365	5	1	KIBF	
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1	29554567	BOHXZOHIZHJVMW-SVBPBHIXSA-N	693.691	4.358	5	1	KIBF	
O=C(O)c1cc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	586943215	YWMCZEDICGBLHN-UHFFFAOYSA-N	591.001	4.414	5	1	KIBF	
CCOC(=O)n1c(C(=O)c2ccc(OC)cc2)c(Nc2nc(N3CCOCC3)ncc2[N+](=O)[O-])c2ccccc21	1772612757	FAJMDQXGUANPRA-UHFFFAOYSA-N	546.540	4.164	5	1	KIBF	
COc1cc2c(=O)c3c(O)c(CC=C(C)CO)c(O)cc3oc2c(O)c1CC[C@@](C)(O)CCCC(C)(C)O	2356455369	QHWGCVYVZATLQE-LJAQVGFWSA-N	530.614	4.178	5	1	KIBF	
Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)N[S@](=O)C(C)C)n2Cc1cc([N+](=O)[O-])ccc1F	84710611	JVFNPAAQMIPYNH-BHVANESWSA-N	510.547	4.203	5	1	KIBF	
COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)c2cc(OC)ccc2CCN1C(C)C	962094012	VKQGFQZVFKELOW-IDNYDCHQSA-N	500.592	4.044	5	1	KIBF	
C[C@H]1CN(C(=O)[C@@H](Cc2c[nH]c3c(C(C)(C)C)cccc23)NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)C1CC1	136729577	DNDVBYOVESXLDM-AFMDSPMNSA-N	559.667	4.184	5	1	KIBF	in-vivo
C[C@@H](Nc1ncnc2[nH]c(-c3ccc(C(=O)NCCNCCCCCC(=O)NO)cc3)cc12)c1ccccc1	138901010	IZZFWJLPZLAKFA-HXUWFJFHSA-N	529.645	4.183	5	1	KIBF	
COC(=O)CCC1=C(CC(=O)OC)C2=NC1=CC1=NC(=C([N+](=O)[O-])C3=NC(=CC4=NC(=C2)C(CCC(=O)OC)=C4CC(=O)OC)C(CCC(=O)OC)=C3CC(=O)OC)C(CCC(=O)OC)=C1CC(=O)OC	2356861042	FZZNWVHFVITFGS-UHFFFAOYSA-N	985.953	4.210	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC	769506	FGXCVRSPXCSJED-AHKZPQOWSA-N	536.560	4.268	5	1	KIBF	
CC(C)(C)OC(=O)NC1[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])c(=O)c(C(=O)O)c3sc5ccccc5n34)C[C@H]12	101144449	BVQPMRSEDATNDE-UDQVXKKJSA-N	536.566	4.233	5	1	KIBF	
CC(C)CN1CC(C(=O)Nc2ccc(CN(C)C3CCOCC3)cc2)=Cc2ccc([N+](=O)[O-])cc2C1=O	1772585994	BSPWQNJFVSHAKT-UHFFFAOYSA-N	506.603	4.340	5	1	KIBF	
COC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1	586987828	SAOSRSLSKJBSCW-BCHFMIIMSA-N	528.517	4.486	5	1	KIBF	
COc1ccc([C@@]2(CSc3nnc4n3CCCN4C(=O)c3cccc([N+](=O)[O-])c3)NCCc3c(C(=O)O)cccc32)cc1	963125452	UZOCVNWOWZBEJH-SSEXGKCCSA-N	600.657	4.125	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1	17577028	IIRGMCJEZDOTOB-OAQYLSRUSA-N	529.366	4.384	5	3	KIBF	
CCCCOCCCNC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104967601	WIJNPGVQCBIDHN-QFIPXVFZSA-N	540.642	4.357	5	1	KIBF	
COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NC[C@@H](O)CO)cc1OCc1ccccc1	2484606	GZXNTUIVFGLQSA-LJQANCHMSA-N	553.955	4.241	5	1	KIBF	
COc1c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc2oc3cccc(OC)c3c(=O)c2c1O	1857758141	RHQISSLRSOMWGZ-UHFFFAOYSA-N	511.430	4.368	5	1	KIBF	
CS[C@@]12C(=O)N(C)[C@](C)(SC)C(=O)N1[C@@H]1N(c3ccc4oc5cc(=O)c(N)c(C(=O)O)c-5nc4c3C(=O)O)c3ccccc3[C@]1(c1c[nH]c3ccccc13)[C@@H]2O	2356604848	JAFMWNYBHBAYHM-DEDKJDRYSA-N	792.852	4.330	5	1	KIBF	
CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1	14946728	KDHQYDMSHOTGOD-LJAQVGFWSA-N	611.765	4.178	5	1	KIBF	
COc1cc(O)c2c(=O)c3ccc(OC)c(O[C@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@H]4O)c3[nH]c2c1	86041870	MHUAXBOYNZWGTG-NSOVKSMOSA-N	531.517	4.163	5	1	KIBF	endogenous,in-man
CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C(COCCN)=N1	169716187	PQYKLGRHXIJMQB-SZAHLOSFSA-N	666.823	4.462	5	1	KIBF	
COc1ccc(CCC[N@+]2(CCCc3ccccc3)CCC[C@@H](NC(=O)c3nc(Cl)c(N)[nH]c3=N)C2)cc1	473135673	RJZUXHZQSWKSTP-MBXDFBHOSA-O	538.116	4.108	5	1	KIBF	
N[C@@H](CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587269401	BUFOQQUSDURUFJ-LBPRGKRZSA-N	502.247	4.031	5	1	KIBF	
O=C1c2c([N+](=O)[O-])ccc(O)c2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(O)ccc([N+](=O)[O-])c21	587577282	RVBYBVPGEXUDLC-HSZRJFAPSA-N	542.412	4.070	5	1	KIBF	
O=C(O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577901	UOMMSUMYJUBNEE-SKCUWOTOSA-N	509.426	4.448	5	1	KIBF	
CC[C@@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1nc([N+](=O)[O-])cc1C	587667034	GHULMPIXYBPFIX-NRFANRHFSA-N	504.547	4.320	5	1	KIBF	
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3c(O)nc4ncccc43)n2)[C@H](c2ccccc2)C1	1772579704	CAKPPULHKMPHQS-FQEVSTJZSA-N	517.546	4.228	5	1	KIBF	
CC#Cc1c(OC)ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)nn(C[N+](C)(C)Cc3c(CC)nc([N+](=O)[O-])n3C)c12	142839901	VRFBVNFNBXIEQY-UHFFFAOYSA-N	605.672	4.111	5	1	KIBF	
COC(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1	299840639	VUVAGFMPIAFIDJ-UHFFFAOYSA-O	558.655	4.464	5	1	KIBF	
NC(=O)C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1	17577130	ZHYLQJWKQVVPSM-NRFANRHFSA-N	529.366	4.498	5	3	KIBF	
Nc1cc2c3c(cccc3c1)C(=O)N(CCCN1CCN(CCCNc3ccc4ncn5c6ccc(F)cc6c(=O)c3c45)CC1)C2=O	102080992	SLTLBHMZNVBYDC-UHFFFAOYSA-N	631.712	4.419	5	1	KIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(CN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc1	653783783	RTIUOKVMNZFXBZ-UHFFFAOYSA-N	502.568	4.155	5	1	KIBF	
COc1c(N2CCc3ccccc3[C@H]2C(=O)NC(C)(C)C)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12	29123086	HHDGWMHNOQMSPK-FQEVSTJZSA-N	552.559	4.109	5	1	KIBF	
O=C(CCc1ccc(F)cc1)c1cc(F)ccc1OC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	73164067	QVGMEGYJNBEWIO-VWLOTQADSA-N	525.552	4.250	5	1	KIBF	
O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1([N+](=O)[O-])C=C3c4ccccc4N(C(=O)c4ccccc4)C32[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	167109039	MTQUMDGNSOHMRG-FDLPAOMSSA-N	636.620	4.124	5	1	KIBF	
COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)N=C(C)[C@@H](C(N)=O)[C@@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1	169716153	XEEZZVVUQHKGAE-NOCHOARKSA-N	682.822	4.081	5	1	KIBF	
CS(=O)(=O)Nc1cc([C@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O	44069967	YVPWFZSHCUFDOV-VEXUSMLFSA-N	561.458	4.297	5	1	KIBF	
CCOC(=O)[C@H]1N[C@@H](c2ccc(OC)cc2)[C@]2([N+](=O)[O-])[C@H]1c1ccccc1O[C@@H]2c1ccc(OC)cc1	103209842	QXPZDOFPXMKIOA-YYDZWWTMSA-N	504.539	4.213	5	1	KIBF	
CCCCc1nnc([S@](=O)Cc2ccc([N+](=O)[O-])cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[nH]2)cc1	103213230	JCEVCNOWVJANLE-WBCKFURZSA-N	585.650	4.317	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC	767704	RAGBJZBNARFUOZ-VPUSJEBWSA-N	533.537	4.182	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@@H]1CCCCO1	26471478	OJNHWSSMYRKGLC-UTIUCDHNSA-N	611.629	4.128	5	1	KIBF	
COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OCC4OCC(Br)([N+](=O)[O-])CO4)cc3c2cc1OC	28523213	QKFQQNYRTZYHHG-UHFFFAOYSA-N	604.430	4.125	5	1	KIBF	
C[C@@H](Nc1ncnc2[nH]c(-c3ccc(CN4CCN(CCOCCCC(=O)NO)CC4)cc3)cc12)c1ccccc1	138918207	BMPXFQCCVNVMFE-HSZRJFAPSA-N	557.699	4.218	5	1	KIBF	
CCCCNC(=O)[C@@H](C)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C	72136960	CZRRTGLKHDETEW-NJHZRGNWSA-N	650.777	4.154	5	3	KIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc([N+](=O)[O-])c12	587750166	GYOQDCJZERCICY-ZZDSUILFSA-N	526.318	4.147	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(C2(O)CCCC2)[C@H](O)[C@@H]1OCc1ccccc1	2356375337	ZGYVLYDUPZTZQR-XCXSIRTKSA-N	583.637	4.211	5	1	KIBF	
COc1cc([C@@H]2c3ccccc3C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)N2C(C)=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	962048851	YYKCXOXSUBGXNY-ZSHICZCASA-N	669.647	4.085	5	1	KIBF	
O=C(O)c1cn(-c2ccc(F)cc2F)c2nc(Sc3nc4ccc([N+](=O)[O-])cc4[nH]3)c(F)cc2c1=O	1772650324	BZVZLTYCCMHQHN-UHFFFAOYSA-N	513.413	4.437	5	1	KIBF	
CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	767354	YGCOKEGGFSQCOS-RSXGOPAZSA-N	503.511	4.173	5	1	KIBF	
CCOC(=O)C1=C(CCn2ccnc2)N=C(CCn2ccnc2)/C(=C(/O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	100050563	ZMWZZLUAHNWIJZ-LIZHXUNESA-N	534.573	4.330	5	1	KIBF	
O=C(O)c1ccc2c(c1[N+](=O)[O-])[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O	587577248	RHEUJWVQNAZHEH-RBISFHTESA-N	509.426	4.448	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OCc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	26996810	QEMWZCVHMKGEKI-AIXNUKSASA-N	535.505	4.239	5	1	KIBF	
COCCN1CCOCCOCCOCCOCCOc2cc(-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)ccc21	28130128	OUOUFWNLHGWBAX-UHFFFAOYSA-N	615.626	4.460	5	1	KIBF	
CC(C)(C)OC(=O)NC1[C@@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)c3sc5ccccc5n34)C[C@@H]12	101143398	WUTZJFPYEQMVCP-ZIAGYGMSSA-N	509.559	4.464	5	1	KIBF	
Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1	586952404	FRVPTLJWMCLXNQ-INIZCTEOSA-N	554.423	4.086	5	1	KIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-]	587573949	DRHHPVFMUVKEOE-OUTSHDOLSA-N	522.469	4.454	5	1	KIBF	
O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4055813	HAGVIAMVKLVJRI-IRLDBZIGSA-N	505.358	4.122	5	1	KIBF	
CCOC(=O)[C@@H]1CSCN1C(=O)[C@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1	100046367	DGXPJTBCIKJVEC-XMNQPPQLSA-N	501.072	4.091	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(NC(C)=O)cc3)c2c1	587621255	RBOMCDKQOAUHKX-UHFFFAOYSA-N	537.554	4.405	5	1	KIBF	
C[C@@H]1CCCCN1CCCNc1ccc([C@@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	38146277	JBZYAXXCWAXGSS-WZONZLPQSA-N	560.493	4.309	5	3	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1OC	4155182	NOTPTCKEJZGJMK-AOYPEHQESA-N	519.510	4.139	5	1	KIBF	
CC[C@@]1(O)C[C@H]2C[C@](C(=O)OC)(c3cc(OC)cc4c3[C@@]35CCN6CC=C[C@@](CC)([C@@H](OC(C)=O)[C@](O)(C(=O)OC)[C@@H]3N4C)[C@H]65)c3[nH]c4ccccc4c3CC[N@+]([O-])(C2)C1	299807832	VUJJODOHYGFANA-CDAQOJAWSA-N	826.988	4.004	5	1	KIBF	
Cc1cc2[nH]c([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)nc2cc1[N+](=O)[O-]	586910474	PBXGRMPMADLSED-RPQGHCDOSA-N	595.693	4.177	5	1	KIBF	
COc1ccc([C@]2(Cn3cc([N+](=O)[O-])nc3C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1	963177381	CYBXGZNTKRAXAP-KNQAVFIVSA-N	524.883	4.323	5	1	KIBF	
O=C1[C@@H]2[C@@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	148620405	ALWRYSHRLGINAM-JIQLLMHVSA-N	550.953	4.277	5	1	KIBF	aggregator
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)c2cc(OC)ccc2CCN1C(C)C	962094023	VKQGFQZVFKELOW-UDZXTKBFSA-N	500.592	4.044	5	1	KIBF	
O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@@H](c2cc(Cl)cc(Cl)c2[N+](=O)[O-])N1	963667296	MQWCNAJRIMTZKQ-FKBYEOEOSA-N	530.364	4.023	5	1	KIBF	
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(CC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1	82178632	CQMRANUGVLVLSR-UHFFFAOYSA-N	693.718	4.415	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	253677723	KYKIQEYJCMYACB-HFOXQMJASA-N	587.994	4.140	5	1	KIBF	
Cc1c2ccccc2c([C@@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc12	587311127	ALQKLPWRLDKHJH-KNMLIEANSA-N	636.653	4.252	5	1	KIBF	
COc1ccc2c(c1OC)[C@@]1(c3c(cccc3[N+](=O)[O-])C(=O)c3c(N)ccc(N)c31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2	963728749	IVHWNIKOAYBQCN-UMSFTDKQSA-N	617.618	4.362	5	1	KIBF	
COCCOCCOCCOC(=O)OCOc1c(Br)cc(Br)c2nc3ccccc3nc12	1857651574	XOPPMFSLKZLUFM-UHFFFAOYSA-N	574.222	4.477	5	1	KIBF	
COc1ccc(Cn2c3nc(-c4ccc([N+](=O)[O-])cc4)nc4c(ncn4Cc4ccc(OC)cc4)c-3nc2=O)cc1	66073892	VSMVIVXHFYZKQN-UHFFFAOYSA-N	549.547	4.177	5	1	KIBF	
Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C)c1	586932722	QLCQTHAZWDOYKS-FQEVSTJZSA-N	573.676	4.245	5	1	KIBF	
CCN(CC)S(=O)(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587055418	QKBYFXPNEZZKIZ-HXUWFJFHSA-N	508.000	4.282	5	1	KIBF	
COc1cc2c(cc1OC)CN(CCn1cc(COc3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)nn1)CC2	1772603687	IVDORADGRULSMH-UHFFFAOYSA-N	558.595	4.093	5	1	KIBF	
COC(=O)CCc1c(CC(=O)OC)c2cc3nc(c(C)c4nc(cc5[nH]c(cc1[nH]2)c(CCC(=O)OC)c5CC(=O)OC)[C@]1(CCC(=O)OC)OC(=O)C[C@]41C)[C@]1(CCC(=O)OC)OC(=O)C[C@]31C	238746487	BNTGEDSNJQDTSX-QTIZPXICSA-N	956.999	4.372	5	1	KIBF	
O=C(O)CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(NNC(=S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1	27769681	PEEMBEAQTJHLBJ-UHFFFAOYSA-N	610.718	4.166	5	1	KIBF	
CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12	49639844	LLIAFROZEOYPPM-UHFFFAOYSA-N	677.762	4.454	5	1	KIBF	
COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1O	49756716	BSZWAEKKKVKXHX-HMAILUFVSA-N	676.543	4.044	5	1	KIBF	
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@@]3(C)N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)c2)CC1	963228868	OMPQXDFKIKZQCI-FUFSCUOVSA-N	547.612	4.063	5	1	KIBF	
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	44352534	JKAYRQZBXGXLAV-VWLOTQADSA-N	551.577	4.466	5	3	KIBF	
COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	768888	HCFSXSDZKALSGD-BVAGGSTKSA-N	553.955	4.445	5	1	KIBF	
CCCC[C@@H](C(=O)NCc1ccccc1C(F)(F)F)N1C(=O)CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	45189435	FKZUDYOIUSJWJH-LEWJYISDSA-N	520.508	4.418	5	1	KIBF	
CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203271	DSXATJXYXNRAHX-YGCGBWEQSA-N	655.506	4.255	5	1	KIBF	
COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4076039	WCVKCZHRZMRBKB-VPUSJEBWSA-N	534.569	4.095	5	1	KIBF	
COc1cc2c(c(O)c1[C@@H]1c3c(cc(O)c4c(=O)c5ccc(O)c(OC)c5n(C)c34)O[C@@H]1C(C)(C)O)c(=O)c1ccc(O)c(OC)c1n2C	85907207	CWDCMHOLSPPPAS-CYFIQEHSSA-N	670.671	4.209	5	1	KIBF	endogenous,in-man
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc([N+](=O)[O-])c12	587750187	HDWCRZBBBSIYMW-CCGUKBGLSA-N	526.318	4.147	5	1	KIBF	
Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N@@+](C)(Cc4ccc(O)cc4)C3)cc2)no1	253670024	YQUMEJDEWPVTIF-IRCRTQETSA-O	585.685	4.114	5	1	KIBF	
CC(=O)O[C@H]1C[C@@H](O)[C@H](C)O[C@@H]1[C@@]1(C)C(=O)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)cc5C)C(=O)[C@]4(C)[C@H]1O[C@@H](C)[C@H](O)C[C@@H]1OC(C)=O)[nH]3	255263128	RQOFTLFCRJDAJR-PAYKRUGMSA-N	742.826	4.153	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1	17577126	ZHYLQJWKQVVPSM-OAQYLSRUSA-N	529.366	4.498	5	3	KIBF	
Cc1cc(OCCCP(=O)(O)O)ccc1CCc1cnc2c(N)nc3cc(CCC(=O)O)ccc3c2c1	113252838	SYZAYODKOIQUIP-UHFFFAOYSA-N	523.526	4.423	5	1	KIBF	
O=C(O)c1cc2[nH]c(-c3nc(O)nc(O)c3I)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	587182781	SFQVLTPSEGPIJF-UHFFFAOYSA-N	608.304	4.318	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	4208084	PYOWPPVJIPVNQH-YLORPAJWSA-N	539.972	4.077	5	1	KIBF	
CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N2C(=O)OC(C)(C)C	962706455	GNZODVXEEKHMKH-SQJMNOBHSA-N	500.479	4.203	5	1	KIBF	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)NC(=O)N1CCCC(=O)O	59807297	ZZWTWJRCLJSUHQ-MHZLTWQESA-N	609.613	4.311	5	3	KIBF	
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](N(C)C)[C@H]3O)c21	83924197	GHLIFBNIGXVDHM-CYUOCKCISA-N	563.603	4.148	5	1	KIBF	in-vitro
O=[N+]([O-])c1ccc(CN2CCOCCOCCN(Cc3ccc([N+](=O)[O-])cc3Cl)CCOCC2)c(Cl)c1	139539286	HITAGOSILORSSW-UHFFFAOYSA-N	557.431	4.177	5	3	KIBF	
COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	4081325	CWMXTKLENRXOAG-AZGAKELHSA-N	553.955	4.445	5	1	KIBF	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])CC2	64415743	RYEKECCDFGFKDP-SFHVURJKSA-N	558.634	4.336	5	1	KIBF	
Cc1cccc2c1[C@@](C[N+](=O)[O-])(c1ncn(Cc3ccccc3)c1[N+](=O)[O-])N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2	963904793	SMRNJKURAGFGKC-PIKZIKFNSA-N	565.583	4.305	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	4056070	QAZALSJOCLSJCI-VZPUWSDOSA-N	558.975	4.194	5	1	KIBF	
Cc1c(OC(=O)CCCCC(=O)O)ccc2c1c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C	26287761	GSEHUHMBLWWXCG-UHFFFAOYSA-N	518.614	4.338	5	1	KIBF	
COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c6c(c7c([C@H](C)O)c([C@@H](C)O)c1c(c23)c7c54)OCO6	2356553630	IPHVFOFIADOHOD-ZJUUUORDSA-N	544.512	4.053	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC	4053415	RAGBJZBNARFUOZ-BDYUSTAISA-N	533.537	4.182	5	1	KIBF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nnc(SCc5ccc([N+](=O)[O-])cc5)s4)CC3)cc21	28528135	RARRSJRHSFKDMS-UHFFFAOYSA-N	570.628	4.237	5	1	KIBF	
O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1	586944736	VHWILCGAOQTXJH-UHFFFAOYSA-N	535.029	4.271	5	1	KIBF	
Nn1c(SC[C@@]2(c3ccccc3)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1	962773820	YCEMPTMGFPJDRY-BWKNWUBXSA-N	554.554	4.249	5	1	KIBF	
CN1C(=O)c2c(c3c4ccccc4n(CC(=O)N[C@@H](Cc4ccccc4)C(=O)O)c3c3[nH]c4ccccc4c23)C1=O	42834215	VJRHZZAFVOECBC-NRFANRHFSA-N	544.567	4.467	5	1	KIBF	
COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)OC[C@@H]1[C@H]2OC(=O)c1ccc([N+](=O)[O-])cc1	103200400	KBFBBFAOHRKCDH-JYIOINSGSA-N	579.558	4.471	5	1	KIBF	
CCOC(=O)[C@]1(c2cnn(C)c2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963216938	CLYMCEXUEDZLGC-UKJJDJLKSA-N	657.592	4.009	5	1	KIBF	
CCOC(=O)CCCC[C@]1(c2ccc(OC)c([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963231396	MIFLROKNWCZRAA-WXVAWEFUSA-N	507.543	4.118	5	1	KIBF	
O=[N+]([O-])c1ccc(N(CCNC(=S)NCCCc2c[nH]cn2)Cc2ccc(Cl)c(Cl)c2)nc1	3822597	YKUBAORRJVYOOP-UHFFFAOYSA-N	508.435	4.123	5	1	KIBF	
COc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccc([N+](=O)[O-])cc2)c2ccc([N+](=O)[O-])cc2)C3)cc1C	26964652	AVMRCXMMAIVHAS-SANMLTNESA-N	585.573	4.235	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3cccc(NC(C)=O)c3)c2c1	587621747	ZBVSVZXYIYJSDM-UHFFFAOYSA-N	522.539	4.383	5	1	KIBF	
O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c2)N1	963234534	UWOLQLJPCBDYAF-DOTOQJQBSA-N	512.238	4.492	5	1	KIBF	
CCCCNC(=O)[C@H](C)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C	72136963	CZRRTGLKHDETEW-VVFBEHOQSA-N	650.777	4.154	5	3	KIBF	
C[C@@H]1[C@H](c2ccccc2)NC(=O)N1S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1	73138343	RYPVVACAYYNYPM-SPLOXXLWSA-N	514.947	4.344	5	1	KIBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253667818	UZLXDTRAHGCODD-PSINNKQMSA-N	804.894	4.359	5	1	KIBF	
C1=C2C[N@+]3(C[C@@H]4CO4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2[C@@]23CC[N@@+]4(C[C@@H]5CO5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34	299811120	CEGSIWNYKYHGFO-ZVUQTFSMSA-N	698.908	4.094	5	1	KIBF	
O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C13C(=CC2([N+](=O)[O-])[C@H]2C(=O)N(c4ccccc4)C(=O)[C@H]21)c1ccccc1N3C(=O)c1ccccc1	299815253	MTQUMDGNSOHMRG-WFFZWJHASA-N	636.620	4.124	5	1	KIBF	
CCN(CC)S(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1	587657663	CWIVFRMUZQHTGE-UHFFFAOYSA-N	514.510	4.270	5	1	KIBF	
CC(C)(C)OC(=O)NC1[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])c(=O)c(C(=O)O)c3sc5ccccc5n34)C[C@@H]12	101144452	BVQPMRSEDATNDE-ZIAGYGMSSA-N	536.566	4.233	5	1	KIBF	
COc1cc2nc(N3CCN(CCNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCN(C)c3ccccc3)c2cc1OC	164019786	TVNIHHCDODFYRZ-UHFFFAOYSA-N	642.761	4.354	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC	4053436	FBZILGHIOXZSJX-XCZPVHLTSA-N	549.580	4.470	5	1	KIBF	
O=C(O)c1cc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	587185070	IOCHODBMTOTXIV-UHFFFAOYSA-N	622.331	4.393	5	1	KIBF	
CO[C@H](C)C[C@@]1([C@@H](C)O)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963226671	OZBHCGJLZBXFTF-XNVYBBPISA-N	621.599	4.470	5	1	KIBF	
CCN(CC)CCCNC(=O)c1nnc(C(=O)NCCCN(CC)CC)c2c1oc1c(C)c3oc(=O)cc(C)c3cc12	58548585	BCGMCAIAJDUYHP-UHFFFAOYSA-N	578.714	4.023	5	1	KIBF	
CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C(COCCN)=N1	169716188	PQYKLGRHXIJMQB-KKLWWLSJSA-N	666.823	4.462	5	1	KIBF	
COc1ccc(CCNc2ccc([C@@H](CC(N)=O)NC(=O)Cc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1	17577036	KARNTMVSDMMHPE-HSZRJFAPSA-N	555.429	4.296	5	3	KIBF	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	95613100	UZLXDTRAHGCODD-DJHKSBSQSA-N	804.894	4.359	5	1	KIBF	
C1=C2C[N+]3(C[C@@H]4CO4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2[C@@]23CC[N+]4(C[C@@H]5CO5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34	169317077	CEGSIWNYKYHGFO-QGNJNWNJSA-N	698.908	4.094	5	1	KIBF	
O=C1c2ccc(O)cc2O[C@@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1	587334552	JSOIGMYIQNMTQG-ATIYNZHBSA-N	518.457	4.215	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21	587727575	OGOWIBFHUHFVMH-SPSFWMDKSA-N	541.345	4.156	5	1	KIBF	
COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@@]2(c3cccc([N+](=O)[O-])c3)CCCO2)C(=O)O)cc1	13442299	IRVJBUBWERQASS-DWACAAAGSA-N	520.538	4.097	5	1	KIBF	
CCOC(=O)[C@]1(CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)N[C@H](C)Cc2ccc(F)c(Br)c21	587747469	QTKIDLVQNVEJRT-VERVWZFWSA-N	509.328	4.076	5	1	KIBF	
COc1c(NC(=O)C(=O)c2ccc(OCC[N+]3(C)CCOCC3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O	653719478	AHMKNMJCLZVSKS-UHFFFAOYSA-O	598.742	4.194	5	1	KIBF	
[O-][N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@@+]6([O-])CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2	255262573	RLBPQSFUMJXQQH-XEQAPHBESA-N	616.762	4.292	5	1	KIBF	
COc1ccc([C@H]2c3ccsc3CCN2C(N)=O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C	962702270	LGVQKVCITAOXSX-SFHVURJKSA-N	506.382	4.007	5	1	KIBF	
COc1ccc([C@@H]2[C@H]3CSCN3[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	73219832	WISDMZFSRGRFNR-RAPHMYFOSA-N	603.653	4.374	5	1	KIBF	
COc1cc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCOC(C)C)c2cc1OC	82128936	MEMQIQLTPSHGME-UHFFFAOYSA-N	510.595	4.109	5	1	KIBF	
COc1cccc(CNC(=O)[C@@H](COCc2ccccc2)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC	104967589	VDAXYDUADYJGDZ-JOCHJYFZSA-N	576.631	4.367	5	1	KIBF	
[O-][N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@@+]6([O-])CC7=CCO[C@@H]5[C@H]([C@H]13)[C@H]7C[C@@H]46)C2	254133996	RLBPQSFUMJXQQH-PSNGSVHZSA-N	616.762	4.292	5	1	KIBF	
NS(=O)(=O)c1ccc(CCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1	586930083	OSPAUMMWKIFUCV-UHFFFAOYSA-N	555.568	4.278	5	1	KIBF	
CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	44352532	JKAYRQZBXGXLAV-RUZDIDTESA-N	551.577	4.466	5	3	KIBF	
CC1=C(C(=O)Nc2ccc(C)cn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1	653760639	KZCYDADJRNBKKT-AREMUKBSSA-N	533.552	4.323	5	1	KIBF	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	4208246	GETAYCZBYDAERW-YROCYRMSSA-N	558.975	4.194	5	1	KIBF	
COc1ccc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@H]23)OCO4)c([N+](=O)[O-])c1	26391367	URGKMWUZWLIKCY-JHOAZWNMSA-N	550.520	4.143	5	1	KIBF	
Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)ccc2N(CC(=O)O)CC(=O)O)c1	87515544	OUVXYXNWSVIOSJ-UHFFFAOYSA-N	736.633	4.266	5	1	KIBF	in-vitro
O=C1CCC2=C(C1)Oc1cc(O)ccc1[C@@]21OC(=O)c2cc(C(=O)NCCCCCC(=O)NCCSC[C@H]3O[C@@H](n4cnc5c(NCc6ccc([N+](=O)[O-])cc6)ncnc54)[C@H](O)[C@@H]3O)ccc21	169722324	FVPCONRBIKWOSS-WVLDMTGVSA-N	934.985	4.325	5	1	KIBF	
O=c1nc(N2CCC3(CCN(Cc4ccncc4)C3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12	1857545070	IYIHOYULCDGATE-UHFFFAOYSA-N	505.522	4.471	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC	4053438	FBZILGHIOXZSJX-IAPPQJPRSA-N	549.580	4.470	5	1	KIBF	
CCCC[C@@H](C(=O)NCc1ccccc1C(F)(F)F)N1C(=O)CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	45189432	FKZUDYOIUSJWJH-SFTDATJTSA-N	520.508	4.418	5	1	KIBF	
COc1ccc([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1Cn1cc(Cl)c([N+](=O)[O-])n1	962665225	LSSLSUUBXVHRAL-GJZUVCINSA-N	521.961	4.238	5	1	KIBF	
O=[N+]([O-])c1cc(-c2nnn(CCCCSc3nnnn3-c3ccc(Cl)c(Cl)c3)n2)cc([N+](=O)[O-])c1	1772574018	XBZVNEGVGCXUPO-UHFFFAOYSA-N	537.349	4.012	5	1	KIBF	
CO[C@H]1[C@@H](N(C)C(N)=S)C[C@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	2356412014	FOUWKDQXQMBZFO-RFPJPRJOSA-N	525.634	4.310	5	1	KIBF	
COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCn4cc([N+](=O)[O-])nc4C)c3C[C@H]2CN1C(=O)c1ccccc1	8680129	PHZWYNNINWLPGC-BZZCMJIQSA-N	680.762	4.412	5	3	KIBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1	587116959	FURWAHZGXJNIOK-UHFFFAOYSA-N	514.873	4.497	5	1	KIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-]	587573946	DRHHPVFMUVKEOE-GIGWZHCTSA-N	522.469	4.454	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	769170	OHVLUTDHZVVGFR-QUURXOELSA-N	525.945	4.207	5	1	KIBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	772620	MTRLERWZXGTCAM-RSXGOPAZSA-N	553.955	4.445	5	1	KIBF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc1-2	587267034	SPJRQQQHRSYKFW-UHFFFAOYSA-N	745.729	4.023	5	1	KIBF	
CCN(CC)CCCNc1nc(N2CC[C@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])C2)nc2cc(OC)c(OC)cc12	105133411	IAKNVBJFWFHJPC-FQEVSTJZSA-N	565.675	4.016	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587569580	RIBPFVFQSVYZNB-KDYSTLNUSA-N	539.468	4.039	5	1	KIBF	
COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4081140	VLBMCQXIOKYMBG-LADGPHEKSA-N	509.902	4.394	5	1	KIBF	
O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCc1ccccc1	587204391	XTFXCJKRVJKYFE-FQEVSTJZSA-N	519.470	4.480	5	1	KIBF	
COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC	4076640	BJLKGAFANUNYQP-LMSSTIIKSA-N	578.622	4.146	5	1	KIBF	
Nn1c(SC[C@@]2(c3ccccc3)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1	962773823	YCEMPTMGFPJDRY-OFVILXPXSA-N	554.554	4.249	5	1	KIBF	
O=C(CCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1	1857617916	NZIUKZUOLPBEAO-UHFFFAOYSA-N	632.732	4.256	5	1	KIBF	
O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1	1857640551	QHERAMNMSCPQKD-QAUNFPMPSA-N	966.002	4.290	5	1	KIBF	
O=C(NCc1ccc2c(c1)OCO2)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc([N+](=O)[O-])cc1	105176415	UTYBXPJPJOFOMF-UHFFFAOYSA-N	527.493	4.051	5	1	KIBF	
COc1ccc2c(c1OC)[C@H](c1ccc([N+](=O)[O-])c(O)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2	963775510	IYAAUKHPROXMHF-DEOSSOPVSA-N	501.495	4.156	5	1	KIBF	
COc1cc(Cl)c(-c2noc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC	1772650012	KBWPBLKBJVATAL-UHFFFAOYSA-N	601.981	4.072	5	1	KIBF	
COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(=O)c5cc(Br)ccc5oc4c3)nn2)c(OC)c1	1857569965	WJHZJEPQMCXYQM-UHFFFAOYSA-N	623.416	4.460	5	1	KIBF	
CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OC(=O)OC(C)(C)C)C[C@H]21	28949865	GOBGUMSSKZMSKQ-XLGIIRLISA-N	550.656	4.293	5	1	KIBF	
C[C@]1(c2ccc3ccc4ccccc4c3c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587310149	FWQMPFDFFBPRNR-QPBKTWBUSA-N	636.653	4.118	5	1	KIBF	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])NC(=O)N1CCCC(=O)O	59796514	GJVAJSSNSJNKNN-MHZLTWQESA-N	609.613	4.311	5	3	KIBF	
COC(=O)c1cc(C[C@H](C)CN2C[C@@H]3CCCC[C@@H]3[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1	169364473	XCUHKPSXGQGWCF-LLXHICIGSA-N	620.747	4.434	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)N(C)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	253679432	WCYQJOVQMKACRB-LJCOXQHRSA-N	602.021	4.482	5	1	KIBF	
COC(=O)C[C@@H]1Cc2c(c(=O)c3c(O)ccc4c5c6c(c(=O)c7c(O)ccc(c2c34)c75)[C@@H](C)O[C@H](CC(=O)OC)C6)[C@H](C)O1	2356413074	MLRHPPKTWOMOBV-FZKCQIBNSA-N	598.604	4.437	5	1	KIBF	
COc1cc2c(cc1OC)CN(CCn1cc(COc3ccccc3NC(=O)c3ccccc3[N+](=O)[O-])nn1)CC2	299841064	XRGAYINXYCDYMQ-UHFFFAOYSA-N	558.595	4.093	5	1	KIBF	
COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1	587265932	UUSQUODOXKZKGC-ZDUSSCGKSA-N	512.504	4.362	5	1	KIBF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](Cn2cnc3c(nnc4ccccc43)c2=O)(c2ccc(Cl)cc2)N1	962973337	KGVSULCEJSSGAR-DCFHFQCYSA-N	568.367	4.467	5	1	KIBF	
Nc1cc2c3c(cccc3c1)C(=O)N(CCCN1CCN(CCCNc3ccc4ncn5c6ccccc6c(=O)c3c45)CC1)C2=O	102223695	KVIKWNHVXMHHHO-UHFFFAOYSA-N	613.722	4.280	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C[C@@H]2COc3ccccc3O2)[C@H]1c1ccccc1[N+](=O)[O-]	29211585	YPULZJXQBKVULX-CTOOMRTGSA-N	537.569	4.158	5	1	KIBF	
C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c([N+](=O)[O-])ccc(O)c1C(=O)c1c(O)ccc([N+](=O)[O-])c12	587750074	GJBCUIPYLROCLE-VIFPVBQESA-N	544.289	4.186	5	1	KIBF	
CCCCN(CCCC)CCNC(=O)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C	82082402	LPWWJTXEKUGBDH-JOCHJYFZSA-N	503.669	4.491	5	1	KIBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N@@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	253798738	YYEWXNWXUYYCSF-FPQSRERTSA-O	587.697	4.169	5	1	KIBF	
CCOC(=O)C1=C(CCn2ccnc2)N=C(CCn2ccnc2)/C(=C(/O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	27729776	ZMWZZLUAHNWIJZ-NOGAPMQYSA-N	534.573	4.330	5	1	KIBF	
CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1	4045263	GNJPSLISOKLDIR-KHMOSXFSSA-N	522.989	4.126	5	1	KIBF	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(CO[N+](=O)[O-])c1)CC2	42892149	GWRFTOSNLWFQDD-FQEVSTJZSA-N	597.602	4.495	5	1	KIBF	
O=C(O)[C@H]1[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl	587011370	RJQJXBVDQPBSNL-RGORQWHNSA-N	506.944	4.496	5	1	KIBF	
CCOC(=O)[C@@]1(CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21	587749055	ZZTSPEUFTJPXJF-YTEVENLXSA-N	509.328	4.076	5	1	KIBF	
COc1cc(OC)c(NC(=O)c2ccc(N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c([N+](=O)[O-])c2)cc1Cl	101901448	MKBWPRQIHODWEM-RDJZCZTQSA-N	524.961	4.303	5	1	KIBF	
COc1cc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(NCCc3ccc(O)cc3)c2cc1OC	105147112	YGXUPUFXOFYOBI-UHFFFAOYSA-N	530.585	4.242	5	1	KIBF	
COc1ccc(CCN(C)c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC	105163631	CVIGGKDYTGSJMB-UHFFFAOYSA-N	571.590	4.407	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-]	586941697	VIMPZKSHFDJXIJ-UHFFFAOYSA-N	541.327	4.333	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@H](CO)C3(c4ccc(O)cc4)CCCC3)O[C@@H]12	2356645932	KEBCJXYFIYBLFS-GVOQRSINSA-N	683.754	4.057	5	1	KIBF	
COc1cc(/C(=C2\O[C@@H]([C@H]3COC(C)(C)O3)[C@H]3OC(C)(C)O[C@@H]23)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC	72119816	BTJUIJQEYKVPKB-DXTHVLPJSA-N	543.569	4.450	5	1	KIBF	
COc1cc(OC)c2c(=O)c3ccc(C)cc3oc2c1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1	261175752	UTUBXMVMIPAGNN-UHFFFAOYSA-N	529.014	4.436	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	4045884	VVYGCKCEIOMXFH-YTMVLYRLSA-N	578.622	4.146	5	1	KIBF	
O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	40939750	XKSNNIKSNYMCQN-UHFFFAOYSA-N	509.927	4.493	5	1	KIBF	
COCCN(CC1CCN(Cc2nc3ccccc3s2)CC1)C(=O)c1cc([N+](=O)[O-])c2cccnc2c1O	473097883	DEMUYLZJYKLKKF-UHFFFAOYSA-N	535.626	4.459	5	1	KIBF	
O=C(NCCCN1CCCC1=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4055812	HAGVIAMVKLVJRI-IFMALSPDSA-N	505.358	4.122	5	1	KIBF	
CC(C)(C)NC(=O)[C@@H]1c2ccccc2CCN1c1cc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2C(C)(C)C	40866664	ZBCAABWKPDLUHX-QHCPKHFHSA-N	520.586	4.381	5	1	KIBF	
NS(=O)(=O)Oc1ccc(NC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1	95558340	WMEKKDCKNSFPTC-UHFFFAOYSA-N	577.596	4.360	5	1	KIBF	
CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+]5(C)CCOCC5)CC[C@]4(C)[C@H]3CC[C@@]21C	95560980	IKOKJEYRUVNNER-RYWJELEGSA-N	518.783	4.262	5	1	KIBF	
CCNc1nc(N2CCC(CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	105136131	NEGIEPUKBVCGCA-UHFFFAOYSA-N	536.633	4.343	5	1	KIBF	
COc1ccc2c(c1OC)[C@H](c1cccc(OC)c1[N+](=O)[O-])N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2	963776233	MJSGTXBCJKMAKC-VWLOTQADSA-N	515.522	4.459	5	1	KIBF	
CC(C)(C)NC(=O)[C@@H]1c2ccccc2CCN1c1nc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2-c1ccc(F)cc1	28868334	MCVPMSZTHINEFL-QHCPKHFHSA-N	559.554	4.150	5	1	KIBF	
COC(=O)[C@H](CCCCN)NC(=O)COc1cc2oc3cc(OCC(=O)N[C@H](CCCCN)C(=O)OC)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC	206885750	YREDHELFXHVRHK-WDYNHAJCSA-N	810.942	4.009	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587285518	MGXBCQHXIDWVEN-QVOCDDILSA-N	712.491	4.055	5	1	KIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(CCn2cc([N+](=O)[O-])cn2)n1CC	587867317	ZQIRKSQDEQRQGD-UHFFFAOYSA-N	564.550	4.359	5	1	KIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(Cn2nc(C)c([N+](=O)[O-])c2C)n1	587860280	QAFOUJZBRBRYRN-UHFFFAOYSA-N	504.334	4.368	5	1	KIBF	
COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC	82134693	SXOGXZCUEVVEGH-UHFFFAOYSA-N	507.591	4.476	5	1	KIBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	587873077	UVGXENJINJASJE-UHFFFAOYSA-N	510.503	4.485	5	1	KIBF	
Cc1cn([C@H]2C[C@H](n3cc(CCCC(=O)Nc4cc5ccc6cccc7ccc(c4)c5c67)nn3)[C@@H](CO)O2)c(=O)nc1O	653797985	ZHQFTFDQBREYAM-ZRRKCSAHSA-N	578.629	4.229	5	1	KIBF	
O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c2)N1	963234539	UWOLQLJPCBDYAF-NVXWUHKLSA-N	512.238	4.492	5	1	KIBF	
Cc1cccc2nc3cccc(C(=O)NCCNCCCNCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12	29212257	CEJAIVFJGXQNMM-UHFFFAOYSA-N	600.727	4.225	5	1	KIBF	
COCCOc1ccc(-c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)cc1[N+](=O)[O-]	587265782	QZVBERYPGXFDIX-UHFFFAOYSA-N	544.612	4.163	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@H]1CCCCO1	26486391	HSRXFCRDBFXKGT-IPKVBPSDSA-N	611.629	4.128	5	1	KIBF	
Cc1noc(C)c1COC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCc1cccc2ccccc12	40395124	LWTLKFWVJBSSCT-QHCPKHFHSA-O	507.544	4.386	5	1	KIBF	
COc1cc2nc(N3CCCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCn3ccnc3)c2cc1OC	105125854	ITHXXJXGROFRON-UHFFFAOYSA-N	602.696	4.316	5	1	KIBF	
COc1cc(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	587261013	PKYGXBNFLMHTHM-UHFFFAOYSA-N	544.612	4.198	5	1	KIBF	
Oc1cc2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc2cc1COCc1c2ccccc2cc2ccccc12	28888374	VIXXNQQVCLZRBF-ITGKQZKFSA-N	512.558	4.386	5	1	KIBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cc(F)cc([N+](=O)[O-])c5)[nH]c4c3)cc2)CC1	587160129	IMJYBYUUIOGRHD-UHFFFAOYSA-N	502.550	4.319	5	1	KIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cc(C(=O)O)c(N)c12	587750421	IBVYAUWMXINDKC-VKTRGTBVSA-N	526.318	4.147	5	1	KIBF	
C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(-c4nc5scc(-c6ccc([N+](=O)[O-])cc6)n5n4)cn1c23	1911585756	PDUUKCPTVOPMIQ-OAHLLOKOSA-N	561.599	4.192	5	1	KIBF	
C[C@H]1CCCCN1CCCNc1ccc([C@@H](CC(N)=O)NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-]	15936211	KKYDNQNLCCULFV-FDDCHVKYSA-N	516.042	4.200	5	3	KIBF	
CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	769808	VSGVPZSDMTZDDM-IAPPQJPRSA-N	546.580	4.239	5	1	KIBF	
COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(O)c(OC)c1)[C@H]1C(=O)OC[C@@H]1[C@@H]2Nc1ccc([N+](=O)[O-])cc1	3950557	ADFKUAKREZUYMC-QNMIOERPSA-N	536.537	4.423	5	1	KIBF	
CC(=O)OCOCC(=O)OCO[P@@H](=O)[C@@H](OCOC(C)=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1	17654596	UOEOHWQOFUVJQD-JOCHJYFZSA-N	620.298	4.215	5	1	KIBF	
O=C(NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1)c1cc2ccccc2o1	49722611	ZMRYPOFWYACWLA-NRFANRHFSA-N	563.542	4.151	5	1	KIBF	
COc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2ccccc2C3=O)cc1	66260090	FRSSMQMLIOIQDU-LSGCGUROSA-N	513.575	4.349	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1	586928142	YAXOJUHTKJAUEZ-UHFFFAOYSA-N	536.975	4.004	5	1	KIBF	
CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621023	LVDRIQBJLKOGFL-UHFFFAOYSA-N	541.513	4.437	5	1	KIBF	
COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4c([N+](=O)[O-])cccc4n3c2=O)cc1	34800792	MYUHETHGBWSZDG-UHFFFAOYSA-N	560.526	4.437	5	1	KIBF	
COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](Cc3ccccc3)C2)c(C)cc1OCC(=O)O	35002984	SUNFYETUULTVIW-NRFANRHFSA-N	503.511	4.237	5	1	KIBF	
COc1cc([C@H]2Oc3ccc4c(=O)c5c(O)cc6c(c5n(C)c4c3O[C@@H]2CO)C=CC(C)(C)O6)cc(OC)c1O	85561848	YCYRMTDEEUGSQO-SKCUWOTOSA-N	547.560	4.178	5	1	KIBF	
CCOC(=O)[C@H]1C(C)=N/C(=C\N2CCN(c3ccccc3)CC2)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	169723449	UXHZVISOVSTHIX-YWXIRFKRSA-N	534.613	4.175	5	1	KIBF	
CCCc1cc(O)c2c(=O)c3c(O)c(-c4c(OS(=O)(=O)O)cc(O)c5c(=O)c6c(O)cc(C)oc-6cc45)c(OS(=O)(=O)O)cc3cc-2o1	2356848720	PHUFSJXOGXJWAU-UHFFFAOYSA-N	702.624	4.223	5	1	KIBF	
CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	4046062	VSGVPZSDMTZDDM-XTEPFMGCSA-N	546.580	4.239	5	1	KIBF	
Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccccc5Cl)cc4c(=O)c3c2)cn1	95583500	AGJFTBWWWCKLQH-UHFFFAOYSA-N	504.999	4.422	5	1	KIBF	
O=c1c2ccc(Cl)cc2oc2c(OC[C@@H](O)CN3CCN(CCOc4ccccc4)CC3)cccc12	95593031	MPPVQMCVPVTKMQ-NRFANRHFSA-N	509.002	4.036	5	1	KIBF	
CCOC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169306079	BBJRXDZOCBYFCX-TVYALGDOSA-N	587.994	4.140	5	1	KIBF	
COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@H]2COC(C)=O)ccc1OC(C)=O	238745610	QZEHFDVYSBCXHJ-ZCYQVOJMSA-N	520.490	4.333	5	1	KIBF	
CCn1cc(C(=O)c2c(C(F)F)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cn1	587620600	WAISVYMLWFVJGT-UHFFFAOYSA-N	519.486	4.271	5	1	KIBF	
CN(C)C(=O)c1ccc(CC[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCC2=O)cc1	13587513	FICBVOCIAZKXSG-VWLOTQADSA-N	515.566	4.493	5	1	KIBF	
COc1cc([N+](=O)[O-])ccc1N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@H]12)OCO3	26396011	OFWPMSCVNJANEM-JHOAZWNMSA-N	550.520	4.143	5	1	KIBF	
Cc1c(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(CC(=O)O)=C5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)C(CC(=O)O)=C3CCC(=O)O	150339564	QNZLBNVYKHQNCQ-UHFFFAOYSA-N	786.747	4.785	5	1	KIBF	endogenous,in-man
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1OC[C@@H](C(O)O)C1(c2ccc(O)cc2)CCC2(CCCC2)CC1	2356664507	XVUQTJZZHXSQKS-PXZPVCFPSA-N	741.834	4.403	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC	4052184	RFYLMOHIAKVNDJ-RPLLCQBOSA-N	535.553	4.080	5	1	KIBF	
Cn1cc2c(nc(=NNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)[nH]1	1772576088	WNVCMUJTUUNZEO-UHFFFAOYSA-N	659.644	4.288	5	1	KIBF	
C[N@@+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N@@+]4(C)CCCC[C@@H]4CCO)ccc2-3)CCCC[C@@H]1CCO	261171279	SZVDRBYYPUPHQW-BTPOYRCQSA-P	606.808	4.318	5	1	KIBF	
COc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1	586947738	CWLFYQCLOFQTBL-UHFFFAOYSA-N	504.322	4.105	5	1	KIBF	
COc1cc(F)c([C@H]2c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-]	963062723	GVQPGEZBAXJBGU-WXVUKLJWSA-N	529.521	4.311	5	1	KIBF	
NC(=O)C1CCN(c2nc3ccccn3c(=O)c2[C@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)CC1	963230124	WIULJVJFKJJLEB-GMCHKSTQSA-N	775.731	4.268	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C[C@@H]2COc3ccccc3O2)[C@H]1c1cccc([N+](=O)[O-])c1	29204227	JBGWBMCVMVJNTC-JVZBGVBISA-N	537.569	4.158	5	1	KIBF	
COc1ccc2nc3c(C(=O)NCCN(C)CCNC(=O)c4cc(NCCN(C)C)c5c(=O)c6cc(OC)ccc6[nH]c5c4)ccc(NCCN(C)C)c3c(O)c2c1	95610709	DOPHGDXTUUXJNL-UHFFFAOYSA-N	791.954	4.144	5	1	KIBF	
CSc1sc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(I)c1S(=O)(=O)C(C)C	587182177	BFJGXTJTLQANKS-UHFFFAOYSA-N	524.387	4.103	5	1	KIBF	
Cc1nn(Cc2ccc([C@H]3N[C@H](C(=O)O)Cc4ccc(Oc5ccc(O)cc5)cc43)o2)c(C)c1[N+](=O)[O-]	962925916	RIRQNTHEDZELNJ-UPVQGACJSA-N	504.499	4.236	5	1	KIBF	
CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)c3ccccc3)CC2)cc1[N+](=O)[O-]	95603870	ZRCCDABIDPLCKN-UHFFFAOYSA-N	521.595	4.084	5	1	KIBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169363110	UZLXDTRAHGCODD-IJXQYLJBSA-N	804.894	4.359	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)o3)c(=O)c3ccccc23)cc1OCC	587669409	LUQDDCGEQQGUII-UHFFFAOYSA-N	529.509	4.295	5	1	KIBF	
CC(=O)Oc1ccc2c(oc(=O)c3ccc(-c4cc5ccc(=O)oc5cc4O)c(O)c32)c1OC[C@H](C)[C@@H](C)O	2356565390	BFHZUBZROAWZCN-UONOGXRCSA-N	532.501	4.452	5	1	KIBF	
CCOCCN(CCOCC)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1	105163565	COCFTECGUZHHKO-UHFFFAOYSA-N	581.670	4.263	5	1	KIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc([N+](=O)[O-])c12	587750162	GYOQDCJZERCICY-CCGUKBGLSA-N	526.318	4.147	5	1	KIBF	
CCOC(=O)[C@H]1N[C@@H](c2ccc(OC)cc2)[C@@]2([N+](=O)[O-])[C@H](c3ccc(OC)cc3)Oc3ccccc3[C@@H]12	103209845	QXPZDOFPXMKIOA-LFGITCQGSA-N	504.539	4.213	5	1	KIBF	
COc1cc2c3c(c1)O[C@@](C)(c1cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	587434669	YBYRLYAUBQWCFP-DCFHFQCYSA-N	509.559	4.323	5	1	KIBF	
COc1cc([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	963150131	QIMCRNSSVBYFLD-NQIIRXRSSA-N	591.620	4.163	5	1	KIBF	
Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)N[S@@](=O)C(C)C)n2Cc1cc([N+](=O)[O-])ccc1F	84710609	JVFNPAAQMIPYNH-PSXMRANNSA-N	510.547	4.203	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587569581	RIBPFVFQSVYZNB-ZBLYBZFDSA-N	539.468	4.039	5	1	KIBF	
CC(C=CC=C(C)C=CC=C(C)C=C[C@H](OCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=C[C@@H](OCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O	2356521614	FYRKXPCNKQDFFH-HNHVYFAWSA-N	985.218	4.418	5	1	KIBF	
Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)n1	42809033	BBZAUBUMPUAXPU-YMGYHPDWSA-O	585.685	4.114	5	1	KIBF	
CCn1cc([C@@]2(CC(=O)C(=O)OC)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1	963241512	VHWMOCCLTXSXNN-UXCMTWRGSA-N	713.656	4.370	5	1	KIBF	
C[C@@H]1O[C@H](C)Cc2c1c(O)c1c(=O)cc3oc4c(O)cc(O)c5c(=O)c6c7c(c45)c3c1c2O[C@]7(O)[C@H](C)O[C@@H]6C	2356817338	DJXMEXWPXJXPMS-JWRJVOEKSA-N	544.512	4.207	5	1	KIBF	
COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4211105	JOBZHZNBSPUNOU-LADGPHEKSA-N	509.902	4.394	5	1	KIBF	
C[C@H](CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1	95618881	YJJBZADWPTXVOZ-SKMKDEANSA-N	665.530	4.379	5	1	KIBF	world
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587315126	PFJBEPYBBDDUKB-BIUVMLSKSA-N	710.113	4.350	5	1	KIBF	
CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1cc(Br)c(OC)c(OC)c1	1772605468	HKZGBVFTQQHEAG-IBGZPJMESA-N	551.397	4.403	5	1	KIBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	772618	MTRLERWZXGTCAM-AOYPEHQESA-N	553.955	4.445	5	1	KIBF	
COc1ccccc1CNC(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620797	GOUFFVORMQGRQS-UHFFFAOYSA-N	524.555	4.133	5	1	KIBF	
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](N(C)C)[C@H]3O)c21	83924195	GHLIFBNIGXVDHM-LSXWJJIVSA-N	563.603	4.148	5	1	KIBF	in-vitro
CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)c2)cc1)C1CC1	66114488	CQHUGASHTRZKCT-HSZRJFAPSA-N	619.700	4.050	5	3	KIBF	
CCOC(=O)Cc1c(-c2cccnc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621213	RPXYIDMWVMZSDC-UHFFFAOYSA-N	510.528	4.053	5	1	KIBF	
CO[C@]1(C)OC2=C(O[C@@]1(C)OC)c1nc2nc2nc([nH]c3nc(nc4[nH]c(n1)c1c4O[C@@](C)(OC)[C@](C)(OC)O1)C1=C3O[C@@](C)(OC)[C@](C)(OC)O1)C1=C2O[C@@](C)(OC)[C@](C)(OC)O1	1772601297	GSHZJWGZWBCQEH-CVOAXWMXSA-N	898.880	3.907	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-]	586940601	AXVUSLJDFHVPIA-UHFFFAOYSA-N	525.328	4.453	5	1	KIBF	
COC(=O)[C@@H]1Cc2c(ncn2Cc2ccc([N+](=O)[O-])c(C)c2)CN1C(=O)C(c1ccccc1)c1ccccc1	13446958	QNHIZJFWWFCQMO-MHZLTWQESA-N	524.577	4.406	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNc1ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c1[N+](=O)[O-])C2	101660699	NSVMLZOLRAILQD-HOTGVXAUSA-N	550.613	4.261	5	1	KIBF	
COc1cc2nc(N3CCCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCc3ccco3)c2cc1OC	105125245	UTYKKSIHWQGNKT-UHFFFAOYSA-N	546.584	4.421	5	1	KIBF	
CCOC(=O)C1=C(C)NC(=O)N(CCc2nnc(Nc3ccccc3)s2)[C@@H]1c1cccc([N+](=O)[O-])c1	1772580460	JCPUIMRWUPQSRO-OAQYLSRUSA-N	508.560	4.336	5	1	KIBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4c5cccnc5c5ncccc5c4[nH]3)cccc12	586937444	QLLRRMKORGKZKG-JOCHJYFZSA-N	581.706	4.161	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(OC(C)=O)c2c1	587621500	UYJWEUXKULWNIW-UHFFFAOYSA-N	526.483	4.386	5	1	KIBF	
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CCc3ccccc3)CC2)cc1	95561963	ZXGVHVOAWOFUSH-PMERELPUSA-O	573.714	4.222	5	1	KIBF	
Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1	587952827	COENBKRMCRTORP-VXKWHMMOSA-N	503.467	4.296	5	1	KIBF	
COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(=O)c5ccc(Br)cc5oc4c3)nn2)cc1OC	1857574946	QHYGNLMPNTVDDS-UHFFFAOYSA-N	623.416	4.460	5	1	KIBF	
CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169303548	DNYKWQSMQQBJDU-OPBMBUAESA-N	587.994	4.140	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)cc(F)c3)c(CC(=O)O)c2c1	587619642	LACZEKYTQVJKMH-UHFFFAOYSA-N	517.466	4.458	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCOc1ccccc1	4153676	UQVSQOOPGNSJAR-VPUSJEBWSA-N	535.553	4.298	5	1	KIBF	
COc1cc(=O)c2c(OC(C)=O)c3c(c4oc5c(OC(C)=O)c(=O)c6c(OC(C)=O)c7c(cc6c5c1c42)C[C@H](C)OC7=O)C[C@H](C)OC3=O	238777675	JIGVQIOPJOCRIQ-RYUDHWBXSA-N	670.579	4.038	5	1	KIBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCc1ccccc1	587223860	OEACNWQEKRESAQ-IZLXSDGUSA-N	665.663	4.261	5	1	KIBF	
O=C(O)c1cc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	586941240	HOPONJZEHHFJPA-UHFFFAOYSA-N	599.577	4.095	5	1	KIBF	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O	587650935	XPFUDSCIDOOJPT-DNQXCXABSA-N	504.520	4.338	5	1	KIBF	
Cc1ccc(C)c2nc3c(C(=O)NCCNCCNCCNC(=O)c4cccc5nc6c(C)ccc(C)c6nc45)cccc3nc12	29209255	OZXKYFCRFMKKAX-UHFFFAOYSA-N	614.754	4.452	5	1	KIBF	
COc1ccc2cc3[n+](cc2c1OCCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1cc2c(cc1-3)OCO2	49802350	CKONAVZMTWPGKI-UHFFFAOYSA-O	514.514	4.404	5	1	KIBF	
CC(C)[C@H](C)OC(=O)[C@@H](CCC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O[C@H](C)C(C)C)NC(=O)OCc1ccccc1	169371820	VSWRJZIBKDKTKR-GJHDXROTSA-N	747.824	4.447	5	1	KIBF	
O=Cc1ccc(-c2ccc(C[C@@H]3NC(=O)N([C@@H](Cc4ccccc4)C(=O)NS(=O)(=O)c4ccc(Cl)c([N+](=O)[O-])c4)C3=O)cc2)cc1	473151283	PBLHMWGKXSXLDD-YTMVLYRLSA-N	661.092	4.307	5	1	KIBF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@H]1c1c(C)c(C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc12	961951181	NRXIEUFHRSPMGT-JPQKPEMJSA-N	659.699	4.168	5	1	KIBF	
COc1cc2c(cc1OC)[C@@H](c1cn3cccc([N+](=O)[O-])c3n1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2	963780331	XQJWLNOQIAUWMQ-VWLOTQADSA-N	525.521	4.098	5	1	KIBF	
O=[N+]([O-])c1ccc(Nc2nc(N3CCN(c4ccccc4)CC3)nc(N3CCN(c4ccccc4)CC3)n2)cc1	28339759	QMJYDRZHLABSOB-UHFFFAOYSA-N	537.628	4.177	5	1	KIBF	
O=C1NCCN/C1=C\[C@@]1(c2ccccc2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963215998	OGFLUURJLLNEQB-MLKGTETISA-N	691.653	4.316	5	1	KIBF	
CCOC(=O)[C@H]1CSCN1C(=O)[C@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1	100046369	DGXPJTBCIKJVEC-PBUHKWHLSA-N	501.072	4.091	5	1	KIBF	
CCOC(=O)[C@H](N)CCCCn1c(=O)c2c(C)c3cc4[nH]c(cc5[nH]c(cc6nc(c(c-2n3)c1=O)[C@@H](CCC(=O)OC)[C@@H]6C)c(C)c5C=O)[C@@](C)(O)[C@@]4(O)CC	253687757	MGHRSIDVLFFBBI-IXNQDCRPSA-N	770.884	4.215	5	1	KIBF	
Cc1cc(Cl)cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	587267010	RQASJAGLYDIXIG-UHFFFAOYSA-N	551.984	4.062	5	1	KIBF	
COc1cc2nc(N3CCN(CCNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC	164020041	VACUCAYTVVSKKE-UHFFFAOYSA-N	668.799	4.492	5	1	KIBF	
COC(=O)c1cccc(NC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1	587621043	MGYAUAMOURVBFV-UHFFFAOYSA-N	538.538	4.233	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(CCCO)c2c1	587621491	UXCRRPCHRNMHCM-HNNXBMFYSA-N	548.618	4.396	5	1	KIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](CN3CCC(c4noc5cc(F)ccc45)CC3)C2)cc1	653798425	PMMHODXRSGYPAS-KRWDZBQOSA-N	502.568	4.155	5	1	KIBF	
CN(C)CCCCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC(=O)NCCCCN(C)C)cc12	1772579671	ZFZAIKXVEXKUKU-UHFFFAOYSA-N	519.690	4.157	5	1	KIBF	
CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(=Nc4cccc(O)c4)[nH]3)cc2)CC(C)(C)N1[O]	1857542757	IDGLADROFDGGQO-UHFFFAOYSA-N	520.570	4.096	5	1	KIBF	
CC[C@@H]1[C@@H](NC(=O)CSc2nc3ccccc3c3nc(=O)c(-c4ccc(OC)cc4)nn23)[C@H]2CC[C@@H]1C2	73199245	OGYHFLPCMHEKQZ-ARZBDZIHSA-N	515.639	4.346	5	1	KIBF	
Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587323015	XYQOYESRADOBAH-DTERBNSASA-N	936.831	4.342	5	1	KIBF	
C[N+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@]9(CC[N+]8(C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69	169720197	IIYHWTVUYIYKKG-DESDIKFRSA-N	614.834	4.363	5	1	KIBF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]1(C)c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1	961948341	GNUUXIXJJLFSFE-SVFJEUMRSA-N	640.668	4.268	5	1	KIBF	
C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cccc3c2c(cc2cccnc23)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	3931427	DSYZTQBFVJBVKL-WOJBJXKFSA-N	630.661	4.298	5	1	KIBF	
COC(=O)[C@@H](CCCCN)NC(=O)COc1cc2oc3cc(OCC(=O)N[C@H](CCCCN)C(=O)OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C	206885793	YREDHELFXHVRHK-FQLXRVMXSA-N	810.942	4.009	5	1	KIBF	
COc1cc2c(cc1OC)[C@H](c1cc3oc(=O)ccc3cc1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2	963137569	FMPSQUNGGKCYPB-AREMUKBSSA-N	501.495	4.089	5	1	KIBF	
COc1cc2c(=O)n(CCN(C)P3(=O)OCCO3)c3c4cc5c(cc4ccc3c2cc1OC)OCO5	1857602457	RIDZYSAOPUXZAM-UHFFFAOYSA-N	512.455	4.141	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC	770157	CKJLELAVQUTHRN-BDYUSTAISA-N	536.560	4.268	5	1	KIBF	
O=C(O)[C@@H]1[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl	587011371	RJQJXBVDQPBSNL-UQIHICMWSA-N	506.944	4.496	5	1	KIBF	
N[C@@H](CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587270791	OYQBEDYVMVIPNY-LBPRGKRZSA-N	502.247	4.031	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC	4042611	CXPKUAWNNWNFNG-PXJZQJOASA-N	561.639	4.413	5	1	KIBF	
C[C@@]1(CC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc(n2)[C@H]1CCC(=O)O)[C@@](C)(CC(=O)O)[C@@H]5CCC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CCC(=O)O)c3CC(=O)O	96014968	KWIZRXMMFRBUML-ZTKUHGNGSA-N	862.842	4.694	5	1	KIBF	in-vitro,metabolite
Cc1c(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cccc1[N+](=O)[O-]	587261397	AOMRICSARVQDOG-UHFFFAOYSA-N	518.555	4.045	5	1	KIBF	
COc1ccc(NC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1	587621293	SDPSXVWJBMXTGK-UHFFFAOYSA-N	510.528	4.455	5	1	KIBF	
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C(C(=O)O)=C(C(=O)O)N1Cc1cccc([N+](=O)[O-])c1	13553502	XJFRTXMMZKGJKN-FQEVSTJZSA-N	514.918	4.497	5	1	KIBF	
CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2ccc([N+](=O)[O-])cc2)cc1	27518758	AUSJXMRLUSRLRP-PAWHMVCQSA-N	519.602	4.367	5	1	KIBF	
Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(Br)o1)Nc1ccc([N+](=O)[O-])cc1-3	72119648	GTHCSYYBUUCKLJ-FQEVSTJZSA-N	548.353	4.474	5	1	KIBF	
CCN(CC)CCNc1ccc(CNS(=O)(=O)c2ccc(N)cc2)c2sc3ccccc3c(=O)c12	100973123	MXCYNZHKXKGIGT-UHFFFAOYSA-N	510.685	4.229	5	1	KIBF	
COc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC	104952429	SHBOLTWXQZARNO-JOCHJYFZSA-N	546.605	4.393	5	1	KIBF	
CCOC(=O)[C@H]1[C@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169303852	KYKIQEYJCMYACB-OPBMBUAESA-N	587.994	4.140	5	1	KIBF	
CCOC(=O)[C@@H]1C(C)=N/C(=C\N2CCN(c3ccccc3)CC2)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	169723448	UXHZVISOVSTHIX-ULSJNEJOSA-N	534.613	4.175	5	1	KIBF	
COC(=O)[C@]1(Cc2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)CN(C(=O)OC(C)(C)C)CCC1=O	587620856	IJGUIHBLYHUSTG-GDLZYMKVSA-N	630.676	4.106	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(NC(C)=O)cc3)c(CC(=O)O)c2c1	587621536	VILXXWWUBMNKFZ-UHFFFAOYSA-N	538.538	4.138	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])N[C@@H](C)Cc2ccc(F)c(Br)c21	587730157	WXGFMDLWWWUMGZ-MYODQAERSA-N	541.345	4.156	5	1	KIBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@H]1c1ccc(-c2cccc(C(=O)O)c2)cc1[N+](=O)[O-]	963667421	OSQYTRIZXKHVPS-PIZZNKLWSA-N	581.581	4.163	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC	770135	BJVLETXGODDAJR-XRKRLSELSA-N	576.606	4.248	5	1	KIBF	
CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1	4079459	ZTADFBVYRBQWRQ-SONWIMMPSA-N	508.962	4.256	5	1	KIBF	
NCCCNCCCCN(CCCN)C(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1	42964239	SPEAABXUWDILJW-UHFFFAOYSA-N	591.734	4.035	5	1	KIBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1	587265799	RHABQEDMNCYOTG-INIZCTEOSA-N	521.477	4.239	5	1	KIBF	
CC(=O)c1ccc2c(c1)[C@H](c1ccc3c([N+](=O)[O-])ccc(O)c3n1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2	962635143	UIARHCMJQDWYCN-NZQKXSOJSA-N	507.499	4.387	5	1	KIBF	
O=[N+]([O-])c1ccc(CN2CCC(n3cc(Cc4ccc(I)cc4)nn3)CC2)cc1	1857555106	VSLNVPSAEAZEOY-UHFFFAOYSA-N	503.344	4.219	5	1	KIBF	
C[N@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@]9(CC[N@+]8(C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69	253655012	IIYHWTVUYIYKKG-LPSLYVSBSA-N	614.834	4.363	5	1	KIBF	in-vivo
COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccc(C(N)=O)cc4)[C@@H](C2)[N@+](C)(CC2CC2)CC[C@]315	473183270	TYWAMSHOGMWKMF-KVDJGOFUSA-O	559.727	4.380	5	1	KIBF	
NC(=O)c1cc(N2CCC(c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)CC2)ccc1[N+](=O)[O-]	587263138	NGXYKBOIIVEZSX-UHFFFAOYSA-N	555.016	4.408	5	1	KIBF	
COc1cc(=O)c2c(OC(C)=O)c3c(c4oc5c(OC(C)=O)c(=O)c6c(OC(C)=O)c7c(cc6c5c1c42)C[C@@H](C)OC7=O)C[C@@H](C)OC3=O	2356443366	JIGVQIOPJOCRIQ-VXGBXAGGSA-N	670.579	4.038	5	1	KIBF	
C[N+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69	8234274	IIYHWTVUYIYKKG-OKJFYEFZSA-N	614.834	4.363	5	1	KIBF	
CC(=O)[C@]1(O)Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)O2)C1	26292948	MPXCAHIOXDLGIB-FSYXMFPNSA-N	714.602	4.292	5	1	KIBF	
CC(C)[C@H](NC(=O)C(=O)Nc1ccc2cc3ccccc3cc2c1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F	26637572	MSFAPOIEVUQPAU-FIPFOOKPSA-N	641.574	4.236	5	1	KIBF	
C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N+]4(C)CCCC[C@@H]4CCO)ccc2-3)CCCC[C@H]1CCO	38146355	SZVDRBYYPUPHQW-SCAUKORFSA-P	606.808	4.318	5	1	KIBF	
CCC12CN3CCN(CC(C3)[C@@]13c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N3C(=O)OCC1c3ccccc3-c3ccccc31)C2	963213047	FZHBHJUOHWNZFH-UHKNHVMNSA-N	669.691	4.322	5	1	KIBF	
CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	767380	YAWKNMOYCGNQRW-XNMGPUDCSA-N	519.554	4.461	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1	4154182	BEIZWMPZQOLNCU-XCZPVHLTSA-N	563.563	4.190	5	1	KIBF	
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O	95868917	IRKUNQWGDWYEPQ-BXOOBUKZSA-N	620.728	4.432	5	1	KIBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12	587170249	PZAFCQZVVIBXHT-GOSISDBHSA-N	505.325	4.441	5	1	KIBF	
O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	767007	SXQMEMKDFFPJFU-JTHBVZDNSA-N	524.327	4.494	5	1	KIBF	
O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1	104954856	QMPIGCHWUKWCDF-OAQYLSRUSA-N	533.654	4.351	5	1	KIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc([N+](=O)[O-])c12	587750192	HDWCRZBBBSIYMW-ZZDSUILFSA-N	526.318	4.147	5	1	KIBF	
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)N1C(=O)c1ccc(Cl)cc1	963016613	MFRYSCVTGCDJCF-FNZWTVRRSA-N	534.887	4.216	5	1	KIBF	
COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1O	49756843	FSCMLFCIRXHSIH-WZFJQBBKSA-N	631.546	4.136	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@H](O)c3cc([N+](=O)[O-])ccc3OC)c2c1	587621618	XEGVSDWETZCSCJ-DEOSSOPVSA-N	542.526	4.192	5	1	KIBF	
COC(=O)/C=C/[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1	1772574881	CTBQJEPTZDKGHF-LEAFWTTLSA-N	545.592	4.279	5	1	KIBF	
CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085268	YIJPVQSCIATWCQ-QFIPXVFZSA-N	501.653	4.341	5	1	KIBF	
CC[C@H](C)[C@H](OCc1ccccc1)[C@@H]1[C@@H](C(=O)NCCCCCC(=O)O)N[C@@H](c2ccccc2)[C@H]1[N+](=O)[O-]	95593805	ZGGRBJZCUULLTI-UZXVECFESA-N	525.646	4.354	5	1	KIBF	
COc1ccc2c(c1)oc(=O)c1ccc(O[C@@H]3c4cc(OC)c(OC)cc4O[C@H]3COC(C)=O)c(OC)c12	238744603	UKZAFTFBOXNLCB-AZGAKELHSA-N	522.506	4.425	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587318669	JEXZULAKEMNQMB-YEBFPZIISA-N	777.742	4.215	5	1	KIBF	
Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577048	QVGPQRGUMGNROE-DFHRPNOPSA-N	524.441	4.031	5	1	KIBF	
O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NCc1cnc2scc(-c3ccc(Br)cc3)n12	1857647796	LGCQKULUVMVTDM-UHFFFAOYSA-N	529.372	4.136	5	1	KIBF	
O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1c(O)ccc([N+](=O)[O-])c1C(=O)c1c(O)ccc([N+](=O)[O-])c12	587512966	QPDBBMUZQYRBSM-AREMUKBSSA-N	502.435	4.246	5	1	KIBF	
COc1cc2cc(Cn3cc(CN4C(=O)c5ccccc5C4=O)nn3)c3cc(OC)c(OC)cc3c2cc1OC	1772652672	HZQWKCMILGZTCE-UHFFFAOYSA-N	538.560	4.463	5	1	KIBF	
COc1cc(F)ccc1Nc1ncnc2sc3c(c12)CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C3	1857567054	KEZSTFWPRJAGDN-UHFFFAOYSA-N	515.548	4.238	5	1	KIBF	
Cc1c2c(C(=O)NCCN(C)C)nccc2c(C)c2c1c1cc(OC(=O)CCCCC(=O)O)ccc1n2C	1997146	TXTPBRTUWWAVID-UHFFFAOYSA-N	518.614	4.338	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)c(=O)c3ccccc23)c(O)c1	587668799	FGEREEGYEZGSAG-UHFFFAOYSA-N	605.673	4.265	5	1	KIBF	
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cn(-c3ccccc3)nc1-c1cccs1)N(c1cccc([N+](=O)[O-])c1)C=N2	1857628215	MNKXIMNBKHKMAZ-DEOSSOPVSA-N	539.577	4.176	5	1	KIBF	
COc1cc2c(cc1OCCCNC(=O)c1cccc3c(=O)c4ccccc4[nH]c13)N=C[C@@H]1CCCN1C2=O	28382705	GPLZHBAZQDPOEZ-SFHVURJKSA-N	524.577	4.209	5	1	KIBF	
COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	28970993	SHBPNAQMFSSEMQ-POTDNYQPSA-N	561.547	4.257	5	1	KIBF	
C[N@@+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N@@+]4(C)CCCC[C@H]4CCO)ccc2-3)CCCC[C@@H]1CCO	261171289	SZVDRBYYPUPHQW-JXMWQWEQSA-P	606.808	4.318	5	1	KIBF	
CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1cccc([N+](=O)[O-])c1	1857760259	NSUILAVKIIBAPO-UHFFFAOYSA-N	542.415	4.051	5	1	KIBF	
NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	15937459	KWHUACNOJHYSDB-VWLOTQADSA-N	501.587	4.018	5	3	KIBF	
O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1([N+](=O)[O-])C=C3c4ccccc4N(C(=O)c4ccccc4)C32[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	160478150	MTQUMDGNSOHMRG-GPOLQCBRSA-N	636.620	4.124	5	1	KIBF	
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C)CCC[C@]4(C)[C@H]2C[C@H]1C[C@@H]3C(=O)OC[C@@H](O)C[N+](C)(C)C	299837074	OGKYRXJDCCPPSP-OEEZGEEOSA-N	606.889	4.038	5	1	KIBF	
Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1	587656156	GTOKEWXXIJXYGY-UHFFFAOYSA-N	501.449	4.492	5	1	KIBF	
Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2c3c(n(C)c(=O)n(C)c3=O)N=CN2c2cccc([N+](=O)[O-])c2)cc1	1772618632	PPUDVAHLJOKERV-MHZLTWQESA-N	547.575	4.423	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1OC	4155183	NOTPTCKEJZGJMK-RSXGOPAZSA-N	519.510	4.139	5	1	KIBF	
COc1ccccc1N1CCN(C[C@H](COc2cccc3c(=O)c4ccccc4oc23)OC(C)=O)CC1	95596654	ZWWAYOKUFBISCW-OAQYLSRUSA-N	502.567	4.088	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C[C@H]2COc3ccccc3O2)[C@H]1c1ccccc1[N+](=O)[O-]	253733368	YPULZJXQBKVULX-MFIFQVGASA-N	537.569	4.158	5	1	KIBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(COc5cc(F)ccc5[N+](=O)[O-])[nH]c4c3)cc2)CC1	587159604	ULHLKSWFWZCTFS-UHFFFAOYSA-N	532.576	4.231	5	1	KIBF	
C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12)C(=O)N(C)c1ccccc1	1549273	UKKZQBRJAFGYNQ-DCFHFQCYSA-N	524.577	4.257	5	1	KIBF	
O=C(O)CCNc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NCCC(=O)O)n4)n3NC(=O)c3cccc([N+](=O)[O-])c3)n2NC(=O)c2cccc([N+](=O)[O-])c2)cs1	169362840	HPDKNXFUECFACT-UHFFFAOYSA-N	910.959	4.164	5	1	KIBF	
CNC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715747	UVICRDSFJQQDJY-IAPPQJPRSA-N	531.657	4.175	5	1	KIBF	
Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c(C)c1	587285063	JZBDACNDJXLWCW-NVGCTPTOSA-N	706.100	4.018	5	1	KIBF	
CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@H]1c1cc(Br)c(OC)c(OC)c1	1772605469	HKZGBVFTQQHEAG-LJQANCHMSA-N	551.397	4.403	5	1	KIBF	
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1c1ccccc1[N+](=O)[O-]	26482564	ZOKSTAGMIUMLAL-AVQAENAPSA-N	569.592	4.011	5	1	KIBF	
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1([N+](=O)[O-])C=C3c4ccccc4N(C(=O)c4ccccc4)C32[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	82178751	MTQUMDGNSOHMRG-GOQVTCJGSA-N	636.620	4.124	5	1	KIBF	
CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5CC(=O)O)C(CCC(=O)O)=C4CC(=O)O)c(CCC(=O)O)c3CC(=O)O	150339537	GWTVAIDNCPVMLP-UHFFFAOYSA-N	786.747	4.649	5	1	KIBF	endogenous,in-man
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)O[C@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	169729259	VATGWEZOSFWWCV-KYPHJKQUSA-N	505.571	4.424	5	1	KIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(I)cnc(Cl)c3[nH]2)CC1	587269684	MDTAHOSJJMKOPH-UHFFFAOYSA-N	511.707	4.144	5	1	KIBF	
Cc1ccc(COc2ccc([C@]3(C)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)cc2Cl)cc1[N+](=O)[O-]	587284279	GRSJLDWHHJXLKF-ITMWZBJBSA-N	736.126	4.260	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NCc3ccc(C)cc3)c2c1	587620571	DXHLHGZQODEYGI-UHFFFAOYSA-N	508.556	4.432	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]12CCc1cc([N+](=O)[O-])ccc12	963067710	RLWLHAGQPDEWGO-BCQCSXDESA-N	507.543	4.263	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(CC(=O)Cc3nc4ccc([N+](=O)[O-])cc4s3)CC1)C2	1857639659	CIOLVPYIDDXQHY-SFHVURJKSA-N	523.611	4.491	5	1	KIBF	
O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049729	SXQMEMKDFFPJFU-GGAORHGYSA-N	524.327	4.494	5	1	KIBF	
COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1	4045961	DMEUZXSPJFDZTO-XRKRLSELSA-N	578.622	4.146	5	1	KIBF	
CC(=O)O[C@@]1(C)C(=O)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)cc5C)C(=O)[C@]4(C)OC(C)=O)[nH]3	36414918	HFZVYGBRGMEKNE-VSGBNLITSA-N	514.538	4.254	5	1	KIBF	biogenic
COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCO)c([N+](=O)[O-])cc1OC	104326525	IQMCGNDBQGMMNN-UHFFFAOYSA-N	549.536	4.244	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587264688	JPSUZUDDVWXTLS-ZDUSSCGKSA-N	512.504	4.362	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725853	LKQKUGXJPJQUPL-GXQHJZMOSA-N	561.591	4.496	5	1	KIBF	
[O-][N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@@+]6([O-])CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2	254133984	RLBPQSFUMJXQQH-KSQMCSIHSA-N	616.762	4.292	5	1	KIBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	4208082	PYOWPPVJIPVNQH-YQIFXUADSA-N	539.972	4.077	5	1	KIBF	
COc1cc(/C=C\COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	238775170	ZVYQQFZANMMFMD-IHWYPQMZSA-N	568.407	4.417	5	1	KIBF	
CCOc1cc([C@@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)ccc1Oc1nn(C)cc1[N+](=O)[O-]	962638267	SMMXYXRQPXAGDQ-UZLBHIALSA-N	522.436	4.106	5	1	KIBF	
C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@H]3c3nc(-c4ccc([N+](=O)[O-])cc4)no3)c(O)c2C(=O)O1	962964786	HFSJMFFPQLHYFR-YQBXISBOSA-N	604.959	4.346	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	4081247	OHVLUTDHZVVGFR-GRYUFTJMSA-N	525.945	4.207	5	1	KIBF	
[O-][N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6([O-])CC7=CCO[C@@H]5[C@H]([C@H]13)[C@H]7C[C@@H]46)C2	96900312	RLBPQSFUMJXQQH-FTCIIUDZSA-N	616.762	4.292	5	1	KIBF	
COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4noc(C)c4Cn4cc(Cl)c([N+](=O)[O-])n4)nc3c2)cc1	587080744	YHCNBWMMIXGVRA-UHFFFAOYSA-N	543.949	4.142	5	1	KIBF	
O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	73196781	NSCIWXGEGSQEOF-VWLOTQADSA-N	507.562	4.111	5	1	KIBF	
N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@@H]3O5)NCc1ccc([N+](=O)[O-])cc1	169717900	HCJUFDKLTMZAFF-FSQDRSGTSA-N	634.737	4.337	5	1	KIBF	
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1	587313640	IGFJIZJBZQBXPK-YHVKRWFOSA-N	689.695	4.005	5	1	KIBF	
CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1	586948455	IMPNHEPBHHQCEV-UHFFFAOYSA-N	543.627	4.278	5	1	KIBF	
O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c2)N1	963234549	UWOLQLJPCBDYAF-WBVHZDCISA-N	512.238	4.492	5	1	KIBF	
O=C(c1cc(Cc2nnc(O)c3ccccc23)cc(F)c1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	1857744322	IAZPGWHISVGGID-UHFFFAOYSA-N	505.481	4.075	5	1	KIBF	
O=C1N(Cc2ccc(O)cc2)[C@H](Cc2ccccc2)[C@H](O)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)N1Cc1ccc(O)cc1	28370040	XDITYTJJBBMNGP-LOYHVIPDSA-N	618.668	4.022	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Br)c(F)c(F)c3[nH]2)c([N+](=O)[O-])c1	587267312	WWGXWTOGGGAJNF-UHFFFAOYSA-N	618.388	4.141	5	1	KIBF	
COc1ccc([C@]2(CSc3nnc4n3CCCN4C(=O)c3cccc([N+](=O)[O-])c3)NCCc3c(C(=O)O)cccc32)cc1	963125449	UZOCVNWOWZBEJH-PMERELPUSA-N	600.657	4.125	5	1	KIBF	
O=C1NCc2c1c1c3cc(/C=C/Cn4ccnc4)ccc3n3c1c1c2c2cc(CO)ccc2n1C[C@@H](CO)C3	28819627	FMUKNNVZPSKGJO-IUINOXSKSA-N	517.589	4.170	5	1	KIBF	
COC(=O)c1cc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1	49780549	XCUHKPSXGQGWCF-HPDRZRPRSA-N	620.747	4.434	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Nc1ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c1[N+](=O)[O-])C2	101660702	AJTCMLMKPYAVBB-GJZGRUSLSA-N	536.586	4.013	5	1	KIBF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@@H](C)O)cc1	586939752	WQCNWRSESNOWNN-MHTXLSKPSA-N	615.620	4.254	5	1	KIBF	
Cc1cc(C(=O)N[C@H]2CCCCCC=C[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3(C)CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccc(F)cc45)CN3C2=O)no1	1857642083	SIFYZFMJVHIGMJ-PBGAFUIBSA-N	786.883	4.364	5	1	KIBF	
O=S(=O)(c1cc(Br)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1F)N1CCOCC1	587139649	NOYHBRDJLZYPOQ-UHFFFAOYSA-N	542.390	4.249	5	1	KIBF	
COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@H]12)OCO3	473086015	ZYKPLCPLQIUAQR-QKHVDVHYSA-N	623.640	4.320	5	1	KIBF	
CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)CC2)CC1	586954877	ANDZROFNODHCAV-UHFFFAOYSA-N	659.721	4.158	5	1	KIBF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(Cc4nc5ccccc5n4Cc4ccc([N+](=O)[O-])cc4)CC3)cc21	653694197	KZUVWBXBTTZUCI-UHFFFAOYSA-N	584.608	4.487	5	1	KIBF	
CC/N=c1/cc2oc3cc(NCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)OC)c4ccccc4c3nc-2cc1C	29059165	OFYGGHUINGVWSL-BJHBNGEJSA-N	559.667	4.081	5	1	KIBF	
CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCC(=O)NCCCCCNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@@H]43)c2c1	87515640	LVFGMGNFRLRSFM-TWZWNZKTSA-O	662.925	4.321	5	1	KIBF	in-vitro
CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(-c2ccc(F)c([N+](=O)[O-])c2)nn1)C(F)(F)F	169309337	GOVZEOVXBQGDMV-OAQYLSRUSA-N	508.384	4.129	5	1	KIBF	
Cc1cccc(-n2c(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n3c4ccccc4nc23)c1	53214588	DYBNDDUPOMALHR-UHFFFAOYSA-N	516.609	4.385	5	1	KIBF	
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(C(=S)Nc1ccc(Cl)cc1)C2	103257825	AZQALPDEGNCLHY-UHFFFAOYSA-N	522.033	4.478	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-]	586941508	ULRHNBJBDZPLLM-UHFFFAOYSA-N	541.327	4.333	5	1	KIBF	
COc1ccc(CNC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1	587620598	DZLMBRVZLKBNEQ-UHFFFAOYSA-N	524.555	4.133	5	1	KIBF	
CCCCOCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82075181	JUGXFNQSVCHTCD-QFIPXVFZSA-N	510.616	4.382	5	1	KIBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253667806	UZLXDTRAHGCODD-PCOKUHEESA-N	804.894	4.359	5	1	KIBF	
COc1cc(O)c2c(=O)c3cccc(O[C@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@@H]4O)c3n(C)c2c1	14612725	MNOCITGIWBOSNH-WUFINQPMSA-N	515.518	4.164	5	1	KIBF	endogenous,in-man
COc1ccc([C@@H](C(=O)NC2CCN(C[C@H](O)c3ccnc4ccc(OC)cc34)CC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	48307359	BNHWQGZJYSCRCB-PXLJZGITSA-N	654.768	4.338	5	1	KIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)c2ccccc2C1=O)c1ccccc1[N+](=O)[O-]	587573944	DRHHPVFMUVKEOE-FUFSCUOVSA-N	522.469	4.454	5	1	KIBF	
COc1c(C[C@@H](C)OC(C)=O)c2c3c(C[C@@H](C)OC(C)=O)c(OC)c(=O)c4c(O)cc5c(c6c(cc(O)c(c1=O)c62)OCO5)c43	84669116	AAWYBWDUDOICBF-CHWSQXEVSA-N	618.591	4.041	5	1	KIBF	
O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)cc3n2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	96914507	CQIUATXJXPPVBI-UHFFFAOYSA-N	533.316	4.431	5	1	KIBF	
COc1cccc(CNC(=O)[C@@H](COCc2ccccc2)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC	104967256	MAEXQBPNMPORSS-HSZRJFAPSA-N	576.631	4.367	5	1	KIBF	
COc1cc2nc(N3CC[C@@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc(NCc3ccco3)c2cc1OC	105132478	IQVYJQSQBMDOQJ-QGZVFWFLSA-N	532.557	4.077	5	1	KIBF	
O=C1C[C@@H]2C[C@@]3(C[C@H]2CN1)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N3C(=O)OCC1c2ccccc2-c2ccccc21	963218556	SWFRUDHYUPMHJE-SLOVCMRISA-N	628.594	4.210	5	1	KIBF	
CON(CCNC(=S)Nc1ccc(Nc2ccc(NC(=S)NCCN(OC)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	95547377	NDBPVOXHBXFZBK-UHFFFAOYSA-N	833.953	4.324	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3C)c(C(=O)C(F)F)c2c1	587619250	DUTCYTUVPNLHIQ-UHFFFAOYSA-N	519.486	4.042	5	1	KIBF	
CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(F)cc1	587620838	HMJJCNWOMGQOJR-UHFFFAOYSA-N	541.513	4.432	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)C[C@@H]3CC[C@H](O)[C@H](C4(c5ccc(O)cc5)CCCC4)[C@@H]3O[C@@H]12	2356371844	REUVKBRSVUNCKJ-DMBHEVBKSA-N	709.792	4.445	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1	4204527	AAQYYDKGMSZXAT-XRKRLSELSA-N	579.606	4.479	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)(C)C	26477652	AESYVSHNVIKHAX-GUNDDFSMSA-N	583.619	4.400	5	1	KIBF	
CC(=O)OC[C@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6c[n+](Cc7ccccc7)ccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	95540294	JDVXWEKSGPIKMQ-VVUQUYQRSA-O	761.764	4.246	5	1	KIBF	
CCOC(=O)c1cc([C@@H]2N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)n(CC)n1	963008273	BKACJJLHBPXLTO-LBNVMWSVSA-N	535.604	4.317	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	58482490	BBJRXDZOCBYFCX-HFOXQMJASA-N	587.994	4.140	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C[C@@H]12	26294276	NFYHLEZOLSLKJA-DSITVLBTSA-N	590.637	4.018	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@H]1CCCO1	26485364	IDFXIZNORARVGR-QNOVMCAUSA-N	625.656	4.170	5	1	KIBF	
O=C(CCN1CCCC[C@H]1CCO)Nc1ccc2c(O)c3cc(NC(=O)CCN4CCCC[C@@H]4CCO)ccc3nc2c1	169723118	JCDJTQVXTSHHLI-FTJBHMTQSA-N	591.753	4.225	5	1	KIBF	
COc1cc(O)c2c(=O)c3cccc(O[C@@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@H]4O)c3n(C)c2c1	14612728	MNOCITGIWBOSNH-IZLXSDGUSA-N	515.518	4.164	5	1	KIBF	endogenous,in-man
CO[C@@H]1[C@@H](CO)O[C@@H]2[C@H]([C@H]1O)n1c3ccc(Br)cc3c3c4c(c5c6cc(Br)ccc6n2c5c31)C(=O)NC4=O	28762183	JNZWYUCWDGRRJE-SFSUPHRBSA-N	641.272	4.131	5	1	KIBF	
C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)CCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O	29209954	DNWIGZVZEVCVLT-JFKGYSMFSA-N	574.851	4.220	5	1	KIBF	
CCCCOCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82075179	JUGXFNQSVCHTCD-JOCHJYFZSA-N	510.616	4.382	5	1	KIBF	
CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C	963146232	NSZWKCPENGQKHD-CRAIPNDOSA-N	516.532	4.045	5	1	KIBF	
NC(=O)c1cccc(C[C@H](N)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1	587259310	CKNVGJWSADCKAU-QFIPXVFZSA-N	534.528	4.186	5	1	KIBF	
O=C(O)c1ccc2c(c1[N+](=O)[O-])[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O	587577249	RHEUJWVQNAZHEH-SKCUWOTOSA-N	509.426	4.448	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@H](CO)C3(c4ccc(O)cc4)CCCCC3)O[C@@H]12	2356773982	NZSIVOFSFFDODY-DFBZREFXSA-N	697.781	4.447	5	1	KIBF	
CC(=O)Oc1ccc(/C=C/S(=O)(=O)CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC(C)=O	1857643499	RMNXMSHUZMWFHX-JQIJEIRASA-N	552.561	4.326	5	1	KIBF	
O=c1cc(CSc2nc(O)c3ccccc3n2)c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2o1	1857759702	YUQUSBBQYBCBBK-UHFFFAOYSA-N	537.531	4.410	5	1	KIBF	
COc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@H](Cc3cnc[nH]3)N[C@@]23c2ccccc2-c2nc4ccccc4nc23)cc1	1911580370	JUPLNCDYYPPYDS-RCZLLDMCSA-N	504.550	4.229	5	1	KIBF	
CC(=O)O[C@H]1C[C@H](O)[C@@H](C)O[C@H]1[C@@]1(C)C(=O)c2cc3[nH]c(cc4nc(cc5cc(C)c(cc1n2)[nH]5)C(=O)[C@@]4(C)[C@H]1O[C@@H](C)[C@@H](O)C[C@H]1OC(C)=O)cc3C	257534453	RQOFTLFCRJDAJR-CYKOMTRZSA-N	742.826	4.153	5	3	KIBF	
O=C1OCCN1C(=O)C1=[N+](c2ccc(Br)cc2)N[C-](c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	169700563	MHRJFXZXLGQFBK-OAQYLSRUSA-N	553.344	4.442	5	1	KIBF	
CCOC(=O)CC[C@H](NC(=O)[C@@H]1[C@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@+]2(C)Cc1ccccc1)C(=O)OCC	253644071	FDJLDJYHLRLUTJ-BUKKQDEXSA-O	543.084	4.017	5	1	KIBF	
Cc1c2ccccc2c([C@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc12	587311126	ALQKLPWRLDKHJH-FKHDBAIDSA-N	636.653	4.252	5	1	KIBF	
COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	96915041	FJWFIBBTCYJQBW-UHFFFAOYSA-N	529.461	4.421	5	1	KIBF	
CC(=O)NCSC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCC1CCCCC1	104960466	YHWDWSDGXAQLBY-NRFANRHFSA-N	534.660	4.157	5	1	KIBF	
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C)CCC[C@]4(C)[C@H]2C[C@H]1C[C@H]3C(=O)OC[C@@H](O)C[N+](C)(C)C	299837073	OGKYRXJDCCPPSP-KSZXFWNOSA-N	606.889	4.038	5	1	KIBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc([N+](=O)[O-])cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586907941	BLHQMPNMYUUCJC-GIEAJLIWSA-N	613.752	4.376	5	1	KIBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccc(Br)c2[nH]1	587264702	PSVVQJYKRMKXKB-FUXBKTLASA-N	515.118	4.438	5	1	KIBF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](Cn2cnc3c(nnc4ccccc43)c2=O)(c2ccc(Cl)cc2)N1	962973335	KGVSULCEJSSGAR-CCLHPLFOSA-N	568.367	4.467	5	1	KIBF	
CC(=O)N[C@H](C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccc(NCCSc3ccccc3)c([N+](=O)[O-])c2)cc1)C(C)C	82157878	LZLVXOUQSNOSCL-SANMLTNESA-N	613.718	4.017	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3C(=O)c4ccccc4N/C3=C\N3CCOCC3)c2c1	587620280	BIYNFYRYUHLKJN-YZSQISJMSA-N	604.645	4.397	5	1	KIBF	
CC(=O)Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(C[C@@H](C)O)oc6cc45)c3cc2o1	49784248	DELYIJJKVUTVRM-LLVKDONJSA-N	600.532	4.161	5	1	KIBF	biogenic
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCc1ccccc1	587223863	OEACNWQEKRESAQ-WUFINQPMSA-N	665.663	4.261	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cn(C)nc3C)c(C(=O)C(F)(F)F)c2c1	587620730	ZKMRAOJGMRNHPI-UHFFFAOYSA-N	537.476	4.339	5	1	KIBF	
O=[N+]([O-])c1ccc(-c2cn([C@H](CN3CCN(CCO)CC3)c3ccc4sc5ccccc5c4c3)nn2)cc1	653888081	WUYDIMMSVZTOKL-AREMUKBSSA-N	528.638	4.421	5	1	KIBF	
COc1ccc([C@@H]2c3ccsc3CCN2C(N)=O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C	962702256	LGVQKVCITAOXSX-GOSISDBHSA-N	506.382	4.007	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@@H](CO)C3(c4ccc(O)cc4)CCCC3)O[C@@H]12	2356645934	KEBCJXYFIYBLFS-OBUMTNOWSA-N	683.754	4.057	5	1	KIBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	4211216	VUVRYRLMHZRHLR-QUURXOELSA-N	525.945	4.207	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	26500222	WXLNRUKBXQNLCU-PVUOONDNSA-N	565.491	4.042	5	1	KIBF	
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(CCCCCC3)C2)cc1	42964217	CZJGXFZAKXFGFE-XCZPVHLTSA-O	551.708	4.360	5	1	KIBF	
CN1CCC[C@@H]1COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104962126	SLTGUQJIKAWMPK-FYYLOGMGSA-N	540.667	4.388	5	1	KIBF	
COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N	963133341	BHEPBEUJKXFOTQ-MUUNZHRXSA-N	503.555	4.481	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCNC(=O)c2ccccc2O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@@H]1CCCO1	101489175	UCGVPQZIODJFHF-XJHASQEKSA-N	565.579	4.071	5	1	KIBF	
Cc1ccc(OS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CCNC3)n2)c1	299856014	BMFQDDWFQAQZAC-OAQYLSRUSA-N	565.627	4.292	5	1	KIBF	
O=C1NCCN/C1=C\[C@]1(c2ccccc2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963216002	OGFLUURJLLNEQB-NQDHSOSXSA-N	691.653	4.316	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	772642	VUVRYRLMHZRHLR-XRODADMRSA-N	525.945	4.207	5	1	KIBF	
COc1cc(O)c2c(=O)c3ccc4c(c3n(C)c2c1)OC[C@](C)(/C=C/c1c(O)ccc2ccc(=O)oc12)O4	15121640	AEXHLHGCDOTWGS-NEDUETKASA-N	513.502	4.461	5	1	KIBF	endogenous,in-man
CN(CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)CCN(C)CCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	82190434	OHIZUKHSYWSIKW-UHFFFAOYSA-N	652.664	4.345	5	1	KIBF	
CC[C@@H](C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CC1CCCCC1)NC(=O)/C=C/C(=O)O)C(N)=O	95606586	KDOSALYREQUODZ-USPSDGMASA-N	786.968	4.457	5	1	KIBF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@@H](C)O)cc1	586939749	WQCNWRSESNOWNN-HOLBHBGLSA-N	615.620	4.254	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1[N+](=O)[O-]	586941405	SSNCYQISBBMVBB-UHFFFAOYSA-N	601.610	4.491	5	1	KIBF	
CC(C)(C)c1ccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587266770	OOVUJBQGDKIIIE-UHFFFAOYSA-N	559.620	4.398	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587312749	CKZMBPMDHSHIGN-YHVKRWFOSA-N	724.140	4.491	5	1	KIBF	
COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4211102	JOBZHZNBSPUNOU-UPVQGACJSA-N	509.902	4.394	5	1	KIBF	
CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NC1CCN(Cc2ccccc2)CC1	82082248	DWYXKOGWGYJAEE-DEOSSOPVSA-N	521.643	4.254	5	1	KIBF	
CCOC(=O)CC[C@@H](NC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1)C(=O)OCC	100046364	FDJLDJYHLRLUTJ-WOEMYHDFSA-O	543.084	4.017	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(NC(=O)CC(C)=O)cc3)c2c1	587621611	XAWLTAKTQKINLH-UHFFFAOYSA-N	579.591	4.364	5	1	KIBF	
COc1cccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H](Cc3cnc[nH]3)N[C@]23c2ccccc2-c2nc4ccccc4nc23)c1	1911574923	MLFJUBNESDQKEA-GCMXZSHTSA-N	504.550	4.229	5	1	KIBF	
COc1ccccc1[C@@H]1[C@H]([N+](=O)[O-])[C@H](Cc2cnc[nH]2)N[C@@]12c1ccccc1-c1nc3ccccc3nc12	1911579324	SLXSPHAYNAQJBQ-ZVFGGPEJSA-N	504.550	4.229	5	1	KIBF	
COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2Cn2cncn2)cc1	587621473	VQKAFXXBOQSQAH-UHFFFAOYSA-N	534.554	4.201	5	1	KIBF	
COC(=O)[C@H](N)Cc1ccc(Oc2ccc(O[C@H]3[C@@H](n4cnc5c(N)ncnc54)O[C@@H]4CO[P@@](=O)(O)O[C@H]43)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)cc1	587944197	ZNUXNBCKTUQQOL-ZITHUUGSSA-N	819.494	4.013	5	1	KIBF	
COC(=O)c1ccc(Oc2ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3c2)cc1	587267317	WYGVCEFQMBCOGQ-DMZKTXOQSA-N	507.459	4.492	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	768718	CPFKRFKLUBYDDC-YLORPAJWSA-N	539.972	4.077	5	1	KIBF	
COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCN3CCOCC3)c2cc1OC	105118923	JJTGSOLFPOVMLY-UHFFFAOYSA-N	609.728	4.021	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1[N+](=O)[O-]	586941278	JDRHKMHHQWSTBY-UHFFFAOYSA-N	568.058	4.126	5	1	KIBF	
COc1ccc(NC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c(OC)c1	587621483	UQMATGTWHTUUMR-UHFFFAOYSA-N	540.554	4.463	5	1	KIBF	
COC(=O)C[C@@H]1Cc2c(c(=O)c3c(O)ccc4c5c6c(c(=O)c7c(O)ccc(c2c34)c75)[C@H](C)O[C@@H](CC(=O)OC)C6)[C@H](C)O1	2356413077	MLRHPPKTWOMOBV-YHUYYLMFSA-N	598.604	4.437	5	1	KIBF	
O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	45496703	YBEVTSYBDPRKDM-UHFFFAOYSA-N	509.927	4.493	5	1	KIBF	
CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)/c(=N/C(=O)c2ccccc2[N+](=O)[O-])s1	49882035	XGQCXTKAWJQIAH-QPLCGJKRSA-N	512.555	4.052	5	1	KIBF	
CCCc1c(O)ccc2c1OC1(CC2=O)c2c([N+](=O)[O-])ccc(O)c2C(=O)c2c(O)ccc([N+](=O)[O-])c21	587471500	SCLHPJMPYKSXJS-UHFFFAOYSA-N	506.423	4.026	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@H](O)c3cc([N+](=O)[O-])ccc3OC)c2c1	587621619	XEGVSDWETZCSCJ-XMMPIXPASA-N	542.526	4.192	5	1	KIBF	
CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)OCCCC	1772575374	UXYPJDYZWUPUSF-NSOVKSMOSA-N	756.835	4.262	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCCC1	4152260	FYRNNKUVHZGOOW-VWNXMTODSA-N	500.983	4.341	5	1	KIBF	
C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	95599797	IRKUNQWGDWYEPQ-SYZUXVNWSA-N	620.728	4.432	5	1	KIBF	
CC[C@@H](COC)Nc1nc(N2CCN(C(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	105116485	KPZSRBHCXSFREA-NRFANRHFSA-N	566.659	4.064	5	1	KIBF	
CCOCCN(CCOCC)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc([N+](=O)[O-])cc1	105176133	XLGDSQXCEZWDJT-UHFFFAOYSA-N	553.616	4.196	5	1	KIBF	
O=c1nc(SCCOc2ccc([N+](=O)[O-])cc2)[nH]c(Cc2cc(F)cc(F)c2)c1I	222026538	SKPYBSLGDYGORZ-UHFFFAOYSA-N	545.305	4.323	5	1	KIBF	
COc1cc(OC)c2c(=O)c3cc([N+](=O)[O-])ccc3oc2c1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1	261085934	CMYYAFSOOPQLPU-UHFFFAOYSA-N	559.984	4.036	5	1	KIBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	587746135	LMBZHIANQVCYAL-LLYJNNGNSA-N	539.398	4.205	5	1	KIBF	
CCNc1nc(N2CCCN(C(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	82118937	BINWBCBAIBIIJE-UHFFFAOYSA-N	522.606	4.049	5	1	KIBF	
COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@@H]1c2c(cc(O)c3c(=O)c4cccc(O)c4n(C)c23)O[C@H]1C(C)(C)O	85907217	FTTSBKFANOKIKQ-UVMFRMCBSA-N	640.645	4.493	5	1	KIBF	endogenous,in-man
CC[C@H](COC)Nc1nc(N2CCCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	105125776	URFSVQABMZLAKB-LJQANCHMSA-N	552.632	4.053	5	1	KIBF	
COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(COc4ccccc4[N+](=O)[O-])nn3)cc1)CC2	653717569	WSGYQHXYDDMALU-UHFFFAOYSA-N	515.570	4.373	5	1	KIBF	
CO[C@H](C)C[C@]1([C@@H](C)O)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963226666	OZBHCGJLZBXFTF-RMGMFKTKSA-N	621.599	4.470	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cn(CCO)c3c(cc(Cl)c4ncccc43)c2=O)cc1	103288400	OIYTXRXUNPNSQM-UHFFFAOYSA-N	579.034	4.257	5	1	KIBF	
Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O	587579029	XRPHYSLBHCNBJB-RBISFHTESA-N	524.441	4.031	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)ccc3F)c(CC(=O)O)c2c1	587620215	SDSFHKIQJLIAAE-UHFFFAOYSA-N	517.466	4.458	5	1	KIBF	
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@@]3(C)N[C@H](C(=O)O)Cc4c3cnc3ccccc43)c2)CC1	963228883	OMPQXDFKIKZQCI-PWUYWRBVSA-N	547.612	4.063	5	1	KIBF	
COc1ccc2c(c1OC)[C@]1(c3c(cccc3[N+](=O)[O-])C(=O)c3c(N)ccc(N)c31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2	963728764	IVHWNIKOAYBQCN-UUWRZZSWSA-N	617.618	4.362	5	1	KIBF	
CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC	767702	RAGBJZBNARFUOZ-XNMGPUDCSA-N	533.537	4.182	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4153755	WRSVHDVZUBPSEU-CNBSGPCYSA-N	584.626	4.228	5	1	KIBF	
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@@H]4O[C@H](CO)[C@@H](OC)[C@@H](O)[C@@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O	11616971	JSKFWUPVIZYJMR-MRYNVFSSSA-N	669.562	4.300	5	1	KIBF	
COc1cc2nc(N(C)CCN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCOC(C)C)c2cc1OC	105113253	AUEOFZWNKZKISR-UHFFFAOYSA-N	554.648	4.299	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N[C@H](C(=O)N3CCN(c5ccc([N+](=O)[O-])cc5)CC3)C(C)C)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	150600778	NWICFZMHHZRZPK-AXNDWCMNSA-N	732.743	4.122	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(F)cc1	4152755	KZEIPHTYMGEICR-AOYPEHQESA-N	521.501	4.312	5	1	KIBF	
O=C(c1ccn(COc2ccccc2[N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587656182	HDPQUGDQWQTRCI-UHFFFAOYSA-N	503.421	4.171	5	1	KIBF	
COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1	4052369	JYQPEBLUSUKMBQ-AHKZPQOWSA-N	535.553	4.080	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC(C)(C)C	26490264	VKSRRLMIWLCKAX-GUNDDFSMSA-N	583.619	4.400	5	1	KIBF	
CC(=O)c1ccc(NC(=O)[C@H](C(C)C)N(C(=O)c2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1772579537	ZQLKTWIDGKIZGL-DEOSSOPVSA-N	523.567	4.292	5	1	KIBF	
COc1ccc2nc3c(c(C)nn3[C@H]3CN(Sc4ccc([N+](=O)[O-])cc4)C[C@@H](CO)O3)c(Cl)c2c1	29571135	NIGBHMKCIQBGKS-OXJNMPFZSA-N	515.979	4.362	5	1	KIBF	
CN1CCN(CCC(=O)Nc2ccc(NC(=O)c3cccc4c(=O)c5cccc(C(=O)Nc6ccc(NC(=O)CCN7CCN(C)CC7)cc6)c5[nH]c34)cc2)CC1	95536666	HVJXATOMEARPOZ-UHFFFAOYSA-N	771.923	4.338	5	1	KIBF	
CN(C)CCNc1cc(C(=O)NCCN(C)CCN(C)CCNC(=O)c2ccc(NCCN(C)C)c3c(=O)c4ccccc4[nH]c23)cc2nc3ccccc3c(O)c12	95546191	NQTVWAHLRKYJFN-UHFFFAOYSA-N	788.998	4.059	5	1	KIBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1	103245383	FWJYCFZDSAWDLS-KGVSQERTSA-N	519.489	4.256	5	1	KIBF	
O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccccc1Br)c1cccc2c1OCCO2	169337250	AOFKBOPAMXIJKQ-HJWRWDBZSA-N	500.305	4.352	5	1	KIBF	
CCOC(=O)[C@]1(CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21	587749052	ZZTSPEUFTJPXJF-AMXDTQDGSA-N	509.328	4.076	5	1	KIBF	
CCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)c1ccc([N+](=O)[O-])c2nonc12)OC(=O)CCCCC	84849161	SHDKMRZASDFUQX-LJQANCHMSA-O	603.586	4.447	5	1	KIBF	
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCN(C(=S)Nc1ccc(Cl)cc1)C2	103257767	OQJJTSWODYTSHQ-UHFFFAOYSA-N	505.965	4.009	5	1	KIBF	
O=C(O)c1ccc2c(c1[N+](=O)[O-])[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O	587577246	RHEUJWVQNAZHEH-DFHRPNOPSA-N	509.426	4.448	5	1	KIBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@H]1c1ccc(-c2cccc(C(=O)O)c2)cc1[N+](=O)[O-]	963667422	OSQYTRIZXKHVPS-ZXRKZBAXSA-N	581.581	4.163	5	1	KIBF	
COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21	963731337	OWNJKPRBLRABMV-FEVNIDIWSA-N	611.607	4.295	5	1	KIBF	
CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCN(CC[N@@+]2(C(=O)CN)CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(O)nc2C4)CC1	299806148	LJLLQFBLLBGTOU-QLKIZYBASA-O	708.972	4.065	5	1	KIBF	
CCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc([N+](=O)[O-])cc4)c3c(=O)n12	1772633236	LTVDAIYNTVRBTA-UHFFFAOYSA-N	646.041	4.148	5	1	KIBF	
COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(O)cc3)C2)c(C)cc1OCC(=O)O	35002968	VULWIJCTCZHANP-JOCHJYFZSA-N	505.483	4.072	5	1	KIBF	
CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12	49650260	BPBSPCUCFQMDKR-UHFFFAOYSA-N	722.759	4.362	5	1	KIBF	
CCN(CC)CCCNc1nc(NCCCNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12	105122313	UGVGBKOHUODNHA-UHFFFAOYSA-N	553.664	4.239	5	1	KIBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1	587116668	AWCGCAYWAQDHNV-UHFFFAOYSA-N	514.873	4.497	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc4ccccc4cc3[nH]2)c([N+](=O)[O-])c1	587264977	BCTSPCOKWPVSRG-UHFFFAOYSA-N	553.572	4.254	5	1	KIBF	
CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	4052428	YGCOKEGGFSQCOS-AHWVRZQESA-N	503.511	4.173	5	1	KIBF	
COC(=O)C(=O)c1c(-c2cn(C)c3ccccc23)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621058	NXBKABPLYMTZFE-UHFFFAOYSA-N	562.560	4.400	5	1	KIBF	
CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4215530	KDRXSYJDEJBGHJ-FNVCAUGXSA-N	532.594	4.463	5	1	KIBF	
C[C@@](O)(CS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1	73310599	UVPJFMWEJFKKLC-QGZVFWFLSA-N	536.282	4.108	5	1	KIBF	
CCC1=C(C)C2=CC3=NC(=C(C)C3=C/C=C3/C=CC=CN3C)C=C3NC(=C4C(=O)N(OC)C(=O)C5=C(C)C(=CC1=N2)N=C54)[C@@H](CCC(=O)OC)[C@@H]3C	377842781	FPTTYEJZGSBYNS-VJFOIRMQSA-N	698.824	6.151	5	1	KIBF	
CN1CCN(C)[C@@H](CN(CCNc2ccc([N+](=O)[O-])cn2)c2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)C1	1772616130	VNVXEXRYXIFQDO-OAQYLSRUSA-N	597.511	4.104	5	1	KIBF	
COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	772369	XTJUVNSRTMMATQ-RSXGOPAZSA-N	553.955	4.445	5	1	KIBF	
CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1	4042505	IXXDXUJVFUPVSC-IXCJQBJRSA-N	545.596	4.124	5	1	KIBF	
COc1cc(O)c2c(=O)c3ccc(OC)c(O[C@@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@H]4O)c3[nH]c2c1	86041863	MHUAXBOYNZWGTG-IZLXSDGUSA-N	531.517	4.163	5	1	KIBF	endogenous,in-man
CN(C)CCOC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104964555	IQFPYSBWRHZGGV-QHCPKHFHSA-N	583.667	4.018	5	1	KIBF	
COC(=O)C12OC(C(=O)OC)([C@@H]3[C@@H]4C[C@@H]([C@@H]5C(=O)N(CCNC(=O)c6cccc7cc8ccccc8nc67)C(=O)[C@H]54)[C@@H]31)[C@H]1[C@@H]2[C@H]2C[C@H]1[C@@H]1C(=O)N(CCNC(=O)c3cccc4cc5ccccc5nc34)C(=O)[C@H]12	169359784	TVFOSBXCWLIICB-QWWIEWGRSA-N	981.031	4.083	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1OC	771656	FVRSSPFWEAWWKN-AHKZPQOWSA-N	535.553	4.428	5	1	KIBF	
CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1c[nH]c2ccccc12	4794355	HOTLKZVWSFTGIN-KAYWLYCHSA-N	509.566	4.335	5	1	KIBF	
CCC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1	26724512	FLMJQBHJNDEDJH-MGBGTMOVSA-N	666.823	4.249	5	1	KIBF	
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCc1ccccc1	587226660	WVWHFGJFZWCAQT-URLMMPGGSA-N	638.656	4.492	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1	587270804	PWUUCNIUVSWGHY-UHFFFAOYSA-N	535.582	4.300	5	1	KIBF	
CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCc2ccccc2)[C@H]1c1ncc([N+](=O)[O-])n1C	40847891	NGLOYECGOMEHQR-VWLOTQADSA-N	523.634	4.388	5	1	KIBF	
COc1ccc2c(c1OC)[C@@H](c1cccc(OC)c1[N+](=O)[O-])N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2	963776200	MJSGTXBCJKMAKC-RUZDIDTESA-N	515.522	4.459	5	1	KIBF	
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3c(O)nc4ncccc43)n2)[C@@H](c2ccccc2)C1	1772579705	CAKPPULHKMPHQS-HXUWFJFHSA-N	517.546	4.228	5	1	KIBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CCOCCOCCOCCOCCNc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[nH]c4c3)cc2)CC1	587267442	YWBPOLIUJNVIBC-UHFFFAOYSA-N	748.838	4.143	5	1	KIBF	
COc1ccc2cc([C@H]3CC=C(CO)CN3S(=O)(=O)c3ccccc3[N+](=O)[O-])n(C(=O)OC(C)(C)C)c2c1	95600319	DUOHWZCRXVWBNF-HXUWFJFHSA-N	543.598	4.396	5	3	KIBF	
COc1cc2oc3c(S(=O)(=O)NCc4cccc(Cl)c4)c(OC)cc(OC)c3c(=O)c2cc1OC	49125627	MFXNZZXPWQFTHP-UHFFFAOYSA-N	519.959	4.113	5	1	KIBF	
O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)CN4CCN(c5nc6ccccc6c6ccccc56)CC4)CC3)c(F)cc2c1=O	103264616	BGDMWNDYZNMDPR-UHFFFAOYSA-N	634.712	4.346	5	1	KIBF	
CN(C)CCOCCOC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104964908	HKYWFSMLPIMCGT-XMMPIXPASA-N	627.720	4.035	5	1	KIBF	
COC(=O)C[C@]1(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21	963029437	UUPWYSDYQKJXOK-JKFCTSDTSA-N	665.615	4.244	5	1	KIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N(CCCN2CCN(c3ccccc3)CC2)CC2CCCCC2)cc1	45389951	LMOKVEBHFYFLTH-UHFFFAOYSA-N	500.665	4.378	5	1	KIBF	
C[C@@]1(CC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc(n2)[C@H]1CCC(=O)O)[C@](C)(CC(=O)O)[C@H]5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)c(CCC(=O)O)c3CC(=O)O	2356781267	AVBHZKNQGDKVEA-WBBRLPBBSA-N	862.842	4.365	5	1	KIBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82080983	ZGPJXHZZFACGNG-QFIPXVFZSA-N	502.552	4.240	5	1	KIBF	
C[N+]1([O-])CCN(c2ccc(C(=O)Nc3n[nH]c4cc(OCCOCc5ccccc5)ccc34)cc2)CC1	144601152	MXSMCVLHQVHBRZ-UHFFFAOYSA-N	501.587	4.175	5	1	KIBF	
O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4208153	JFBGKPDPCIFQQS-UPVQGACJSA-N	509.902	4.264	5	1	KIBF	
CC/N=c1/cc2oc3cc(NCCC(=O)NCCCC[C@@H](NC(C)=O)C(=O)OC)c4ccccc4c3nc-2cc1C	29059158	OFYGGHUINGVWSL-QXXDORQCSA-N	559.667	4.081	5	1	KIBF	
COc1ccc(CNc2nc(N3CCN(CCNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc3cc(OC)c(OC)cc23)cc1OC	164018347	VEGMPKKJOZLTGS-UHFFFAOYSA-N	673.771	4.446	5	1	KIBF	
Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577061	QVGPQRGUMGNROE-SKCUWOTOSA-N	524.441	4.031	5	1	KIBF	
COc1c(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])s4)s3)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	44406138	OOXJXVXDRJWBGQ-LBPRGKRZSA-N	586.627	4.386	5	1	KIBF	
COc1ccc2c(=O)c3c(O)cc(OC)c([C@@H]4c5c(ccc6ccc(=O)oc56)O[C@@H]4C(C)(C)O)c3n(C)c2c1OC	86041873	XRRKNHPPSZSNHE-HLADLETHSA-N	559.571	4.193	5	1	KIBF	endogenous,in-man
O=C1NCCN/C1=C/[C@@]1(c2ccccc2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963215996	OGFLUURJLLNEQB-DUEUHADZSA-N	691.653	4.316	5	1	KIBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12	587170253	PZAFCQZVVIBXHT-SFHVURJKSA-N	505.325	4.441	5	1	KIBF	
CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)c2)cc1)C1CC1	66114490	CQHUGASHTRZKCT-QHCPKHFHSA-N	619.700	4.050	5	3	KIBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	772193	PYOWPPVJIPVNQH-LNXUECGXSA-N	539.972	4.077	5	1	KIBF	
CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C	29249394	SCWGFKWFVVXZHG-OAQYLSRUSA-N	700.725	4.383	5	1	KIBF	
O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	73162376	LLOXNKGYLXHSCC-RUZDIDTESA-N	507.562	4.111	5	1	KIBF	
O=C(CSc1nnc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)s1)c1ccc([N+](=O)[O-])cc1	103185873	WELPGQSGAOLFRK-UHFFFAOYSA-N	610.649	4.235	5	1	KIBF	
CN(CCN(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)c1coc2ccccc2c1=O	207138464	RSLYIDUWLDFWGF-UHFFFAOYSA-N	524.533	4.489	5	1	KIBF	
CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(Cn4cnc([N+](=O)[O-])n4)n3)c(=O)c3ccccc23)c(O)c1	587663934	TWJXJHLKEFGVFV-UHFFFAOYSA-N	585.625	4.066	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	73219856	IWIDWVCTAPKWBY-AGVOOJLBSA-N	543.601	4.357	5	1	KIBF	
C[N@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8[C@]9(CC[N@+]8(C)C/C7=C\CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69	253750090	IIYHWTVUYIYKKG-WNUQVXSYSA-N	614.834	4.363	5	1	KIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1	587264076	AETLZPWPTPISMZ-ZDUSSCGKSA-N	569.517	4.475	5	1	KIBF	
CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4c([N+](=O)[O-])cnc4C)[nH]c3cc21	587272745	ADEUDAMBAADYBR-UHFFFAOYSA-N	595.524	4.443	5	1	KIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(I)cnc2[nH]1	586949388	VRSUCAUHYHGRSG-UHFFFAOYSA-N	535.323	4.247	5	1	KIBF	
Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1	587953710	PPFPQUZPETUVPX-VXKWHMMOSA-N	503.467	4.296	5	1	KIBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCN(CCc3ccc(Cl)c(F)c3)C2)[C@H]1c1cccc([N+](=O)[O-])c1	1857602353	GIWOZUGHMKXLQJ-NFQMXDRXSA-N	571.049	4.476	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC	4045782	ZAWWZSPWANXXIE-LITSAYRRSA-N	578.622	4.146	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(CNc5cccc([N+](=O)[O-])c5)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	44352152	DTONGMYGEYJMOI-ALMBTRMVSA-N	615.599	4.077	5	1	KIBF	
Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C)c1	586932063	JWNZNOLZJDNRLW-IBGZPJMESA-N	573.676	4.245	5	1	KIBF	
O=C(N=c1[nH]c2ccccc2[nH]1)Nc1cccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)O)c2)c1	26172094	ZEUZDJUPEOUGFI-SANMLTNESA-N	600.613	4.178	5	1	KIBF	
CN1C[C@H](C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](CCC2CCCCC2)C(=O)N2CCC[C@@H](C(N)=O)C2)C=C2c3cccc4[nH]cc(c34)C[C@H]21	28655488	LZHXZGVGDIQVLP-ILMGVCIOSA-N	737.902	4.243	5	1	KIBF	
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	169328041	BTNRLYYYHYBJNY-YUKVPPSFSA-N	913.930	4.036	5	1	KIBF	
CC(C)(C)OC(=O)C1=C(COC(=O)N2CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)CS[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N12	653727848	WOZHFVKHIPUGGY-FUFSCUOVSA-N	790.799	4.081	5	1	KIBF	
COCCNc1ccc(-c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)cc1[N+](=O)[O-]	587264224	DTFVNLLBDSQYRH-UHFFFAOYSA-N	543.628	4.196	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cccnc3Cl)c2c1	587618187	OFNSDPCQTZLVMM-UHFFFAOYSA-N	515.935	4.495	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cccc(Br)c2[N+](=O)[O-])c1OCC	587936415	IRONLGBQLNBWPP-UHFFFAOYSA-N	513.341	4.155	5	1	KIBF	
Cc1c(C=O)c2ccccn2c1[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21	963688501	UCUYJUOYBIZOOT-FHFPRHJOSA-N	618.646	4.292	5	1	KIBF	
CC1=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1	31861387	DRXCGOGFDBUTAC-XMMPIXPASA-N	509.515	4.475	5	1	KIBF	
COc1ccccc1-n1c([C@@H](C)N2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H](C)C2)nc2ccccc2c1=O	299811125	DEMUODXSBPGFCP-RTBURBONSA-N	572.578	4.118	5	1	KIBF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@H](C)O)cc1	586939754	WQCNWRSESNOWNN-WNNBVUDTSA-N	615.620	4.254	5	1	KIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc(I)c1O	587571241	PTEMAFHAYOVDDY-UZLBHIALSA-N	505.220	4.314	5	1	KIBF	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@]2(CCC[C@H]3CN[C@@H](C(=O)O)[C@@H]32)N1C(=O)OCC1c2ccccc2-c2ccccc21	963227412	CGNSPHKGRPIRFC-JGXBUKNKSA-N	658.620	4.137	5	1	KIBF	
COc1cc2c(cc1OC)CN(CCn1c(-c3ccc(N(C)C)cc3)nc3ccc([N+](=O)[O-])cc3c1=O)CC2	13438326	NYPGJZWAUHDNPD-UHFFFAOYSA-N	529.597	4.113	5	1	KIBF	
COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN4CCC(O)CC4)ccc32)cc(OC)c1	64512987	UGNCASYIYRBBBK-UHFFFAOYSA-N	515.610	4.006	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	103222968	QLHVOKPXHXWODP-QRQOSXKCSA-N	603.989	4.239	5	1	KIBF	
COC(=O)[C@]12O[C@](C(=O)OC)([C@H]3[C@H]4C[C@@H]([C@H]5C(=O)N(CCNC(=O)c6cccc7cc8ccccc8nc67)C(=O)[C@@H]45)[C@H]31)[C@@H]1[C@H]3C[C@@H]([C@H]4C(=O)N(CCNC(=O)c5cccc6cc7ccccc7nc56)C(=O)[C@@H]34)[C@H]12	253854861	TVFOSBXCWLIICB-HWBQYTPHSA-N	981.031	4.083	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cccc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1	587266386	LFMGAILSAFHQAD-UHFFFAOYSA-N	571.509	4.119	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(Cl)cn3)c2c1	587618198	OSTZEWNVQADXSJ-UHFFFAOYSA-N	515.935	4.495	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c([C@@H](C(=O)O)n3cncn3)c2c1	587620436	BVWWGBTWIGNAJD-VWLOTQADSA-N	562.564	4.126	5	1	KIBF	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(F)cn12	1857539834	JLXOPLKFEHWHHZ-UHFFFAOYSA-N	514.535	4.471	5	1	KIBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	4211221	VUVRYRLMHZRHLR-GRYUFTJMSA-N	525.945	4.207	5	1	KIBF	
COc1ccc(COC[C@]23N=C4Sc5ccc([N+](=O)[O-])cc5C(=O)N4[C@H](c4ccccc4O2)[C@H]3CO)cc1	95783888	FPOMBZVHDJIBNF-DBTWGZIYSA-N	533.562	4.176	5	1	KIBF	
COc1ccc(CCc2cnc3c(N)nc4cc(C(=O)C(F)(F)P(=O)(O)O)ccc4c3c2)c(C)c1	113406479	XXJFOVZZZZWBFG-UHFFFAOYSA-N	501.426	4.421	5	1	KIBF	
CC[C@H](C)C[C@H](C)/C=C(/C=C(C)\C=C\C=C\C=C\C=C/C=C/c1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)o1)C(=O)O	299816908	YQULWNMZEPTDEC-QHRORVAKSA-N	612.716	4.128	5	1	KIBF	
COc1cc2c(cc1OCc1ccccc1)N(C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@@H]1CCCN1C2=O	26181839	VOKIQLVXBJYCQF-CUNXSJBXSA-N	533.537	4.262	5	1	KIBF	
CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(N)=O)=C(COCCN)N1	26724498	NTTOSPBYGRNOJQ-XIFFEERXSA-N	666.823	4.249	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169303546	DNYKWQSMQQBJDU-TWVZQSRDSA-N	587.994	4.140	5	1	KIBF	
CC(N)=[N+]1CCC(Oc2ccc3c(nc(C(C)C)n3Cc3ccc4ccc(C(=N)N)cc4c3)c2[N+](=O)[O-])CC1	169717362	WEDXGJRTVPRDEG-UHFFFAOYSA-O	528.637	4.484	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587314757	MSZCHJWWPSHGHS-BIUVMLSKSA-N	710.113	4.350	5	1	KIBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	587746137	LMBZHIANQVCYAL-LQHZJYNBSA-N	539.398	4.205	5	1	KIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc([N+](=O)[O-])c(Br)c4C)c1)[C@@H](C2)C3=O	587413367	NBRDLOAKGPJFOY-KSFYIVLOSA-N	514.332	4.416	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)c(=O)c3ccccc23)cc1OCC	587670233	QLLQKIAFGIJPDA-UHFFFAOYSA-N	540.536	4.097	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]12CCc1c([N+](=O)[O-])cccc12	963068083	QBQCRLULEAFAAQ-BERHBOFZSA-N	507.543	4.263	5	1	KIBF	
COc1cccc(-n2c(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n3c4ccccc4nc23)c1	53026129	XIDSPMAZIGCQNP-UHFFFAOYSA-N	532.608	4.086	5	1	KIBF	
CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)N(C)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169305032	WCYQJOVQMKACRB-ALNDXVPUSA-N	602.021	4.482	5	1	KIBF	
CC[C@]1(O)C[C@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)C[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3CC[N@+]([O-])(C2)C1	255223317	KPGGEGBLEINTMJ-QWRXKMKGSA-N	768.952	4.462	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@H]1CCCCO1	26493703	RODAYEWQVPDDPA-QNOVMCAUSA-N	625.656	4.170	5	1	KIBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc5nc6ccccc6nc5cc4[nH]3)cccc12	586939168	ZXACRBFJAXFNSP-JOCHJYFZSA-N	581.706	4.161	5	1	KIBF	
Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O	587579027	XRPHYSLBHCNBJB-DFHRPNOPSA-N	524.441	4.031	5	1	KIBF	
CC(C=CC=CC=CC=CC=CC=C(C)C(=O)N[C@H](CC(N)=O)C(=O)O)=C[C@@H]1N=C(C=Cc2ccc[nH]2)O[C@@H]1C	2356716549	QGRNAHRIQLDWFF-FXVJXKIMSA-N	544.652	4.332	5	1	KIBF	
O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4056004	CWLXPPAEVIRWDN-LADGPHEKSA-N	509.902	4.264	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1	587267130	UQJOSNDYNYQVTG-UHFFFAOYSA-N	589.499	4.258	5	1	KIBF	
CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	769806	VSGVPZSDMTZDDM-IXCJQBJRSA-N	546.580	4.239	5	1	KIBF	
CC(=O)Cc1cc(O)c2c(O)c3c(O)cc(=O)c(-c4c(=O)cc(O)c5c(O)c6c(O)cc(C[C@@H](C)O)oc6cc45)c3cc2o1	2356542767	FATOQVKFHDKOOP-LLVKDONJSA-N	600.532	4.161	5	1	KIBF	
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	26485962	FGLJJLVRLITOPJ-UIKMQHARSA-N	569.592	4.011	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	73219855	IWIDWVCTAPKWBY-JMBFNUQRSA-N	543.601	4.357	5	1	KIBF	
C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@H]3c3cc([N+](=O)[O-])ccc3N(C)C)c(O)c2C(=O)O1	962933855	HZRNWJHNLIWHNS-CKMSVJFGSA-N	579.993	4.362	5	1	KIBF	
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@H](C)[C@H](OC(C)=O)[C@H]([N+](C)(C)[O-])[C@H]3O)c21	83923211	JDRNEUMZVBWRJJ-CYUOCKCISA-N	579.602	4.160	5	1	KIBF	in-vitro
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(C5CCN(C(=O)c6ccc([N+](=O)[O-])cc6)CC5)[nH]c4c3)cc2)CC1	587270615	OLPFLUCXJTUVKV-UHFFFAOYSA-N	581.677	4.491	5	1	KIBF	
O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)NCc1cnc2scc(-c3ccc(Br)cc3)n12	1857762106	CSRRIOIOHDSFLX-UHFFFAOYSA-N	529.372	4.136	5	1	KIBF	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)NC(=O)N1CCCC(=O)O	59807299	ZZWTWJRCLJSUHQ-HHHXNRCGSA-N	609.613	4.311	5	3	KIBF	
O=C(NCCCN1CCCC1=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4207773	DMULQAPPBWUCFH-IRLDBZIGSA-N	505.358	4.122	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cccc(OC)c1OC	4154109	XNGXIUPZSWKBRA-LBNVMWSVSA-N	563.563	4.190	5	1	KIBF	
O=C(O)[C@H](Cc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	27762993	UCHDDYYOOFDPFV-AYFFKOHYSA-N	513.550	4.068	5	1	KIBF	
CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715727	HHXHWBGCTREPSZ-FQLXRVMXSA-N	604.704	4.319	5	1	KIBF	
CC1=C(C(=O)Nc2ccccn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1	653758711	TWMSWAQXFZHXHR-VWLOTQADSA-N	519.525	4.014	5	1	KIBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@]1(c1cccc(F)c1)c1cccc([N+](=O)[O-])c1	963665028	FUCZAZUUVNCMEO-WAKHXKBOSA-N	555.562	4.139	5	1	KIBF	
COc1ccccc1CNc1nc(N2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	105115964	NDHUYVQIBARQOO-UHFFFAOYSA-N	572.622	4.447	5	1	KIBF	
COc1cc2nc(N3CCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCOC(C)C)c2cc1OC	105116338	REUNDPVYPNAUKQ-UHFFFAOYSA-N	552.632	4.053	5	1	KIBF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c2)cc1	586952950	KWHLJQMXSXKWMU-KTKRTIGZSA-N	592.634	4.077	5	1	KIBF	
Cc1ccc(Cn2cc([N+](=O)[O-])c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1	587656753	MQBOUQJLTKFRDJ-UHFFFAOYSA-N	501.449	4.492	5	1	KIBF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](Cn2cnc3c(nnc4ccccc43)c2=O)(c2ccc(Cl)cc2)N1	962973339	KGVSULCEJSSGAR-NFQMXDRXSA-N	568.367	4.467	5	1	KIBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCN(CCc3ccc(Cl)c(F)c3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	1857602352	GIWOZUGHMKXLQJ-HRFSGMKKSA-N	571.049	4.476	5	1	KIBF	
COc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC	104952433	SHBOLTWXQZARNO-QFIPXVFZSA-N	546.605	4.393	5	1	KIBF	
Cc1cc(N(C)Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c([N+](=O)[O-])cc1F	587137364	WTLXYONEOVNBIL-UHFFFAOYSA-N	556.537	4.478	5	1	KIBF	
C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1	1548900	UMZYUNIVMXENNH-SIBVEZHUSA-N	510.550	4.233	5	1	KIBF	
COc1cc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](Cc3ccccc3)C2)c(C)cc1OCC(=O)O	35002981	SUNFYETUULTVIW-OAQYLSRUSA-N	503.511	4.237	5	1	KIBF	
Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1c(Br)cc(Br)cc1Br	98083879	JEUKLGYLPBCDRQ-UHFFFAOYSA-N	510.968	4.416	5	1	KIBF	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2cc([N+](=O)[O-])ccc2c1O	587647044	DLOFQFXGXKRQPB-IENQBVGWSA-N	553.612	4.003	5	1	KIBF	
COc1cc(F)c([C@@H]2c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1[N+](=O)[O-]	963062718	GVQPGEZBAXJBGU-VAXXYWNWSA-N	529.521	4.311	5	1	KIBF	
COc1c(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)s3)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	42835421	GSFSTEBSDZXWBR-AWEZNQCLSA-N	580.598	4.324	5	1	KIBF	
COc1c(N2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)s3)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	42850865	QMESDOQFNGTPCU-AWEZNQCLSA-N	580.598	4.324	5	1	KIBF	
CCOC(=O)CCc1c(C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587619546	KEMQPUNXVZMCIQ-UHFFFAOYSA-N	515.466	4.400	5	1	KIBF	
O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	773521	PUIWPHMMGBAEGT-GOSISDBHSA-N	505.458	4.118	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCN(C)c1ccccc1	4079895	MQNYSRUZSMSALC-XCZPVHLTSA-N	546.580	4.457	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cccc(OC)c1OC	4154114	VUYOPHVBJXFPKU-WNJJXGMVSA-N	579.606	4.479	5	1	KIBF	
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1	42835692	MXCOVFAJNYVLIQ-UYMUGQJUSA-O	595.742	4.383	5	1	KIBF	
CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3n[nH]cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1	587663788	QXLCKJORQMBTBX-UHFFFAOYSA-N	504.547	4.496	5	1	KIBF	
CC(C)=CCc1c2c(=O)c3c(O)ccc(O)c3c(O)c-2c2c(=O)c3c(O)c([C@@H](O)CC=C(C)C)cc(O)c3c(=O)c1=2	85860695	FOBNXANLUWKAKZ-INIZCTEOSA-N	556.567	4.205	5	1	KIBF	biogenic,in-vitro
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1	587267152	UXGZDGVJZRJDGC-XUSGNXJCSA-N	546.949	4.368	5	1	KIBF	
O=C1c2ccc(O)cc2OC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1c1ccc(F)cc1	587369593	LMUYQOSEYYLELP-HSZRJFAPSA-N	512.515	4.022	5	1	KIBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1	42835514	DZIWUHCUDURPKK-GECAEVBFSA-O	577.677	4.366	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C[C@H]2COc3ccccc3O2)[C@@H]1c1cccc([N+](=O)[O-])c1	169297333	JBGWBMCVMVJNTC-ZZWGLNIPSA-N	537.569	4.158	5	1	KIBF	
COc1cccc(NC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1	587621057	MTZRNAJLCRZERF-UHFFFAOYSA-N	510.528	4.455	5	1	KIBF	
CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1	4042558	IXXDXUJVFUPVSC-XTEPFMGCSA-N	545.596	4.124	5	1	KIBF	
COc1cc2oc3c(S(=O)(=O)NC[C@H](C)c4ccccc4)c(OC)cc(OC)c3c(=O)c2cc1OC	49112742	CVHISGFZCZGFIK-HNNXBMFYSA-N	513.568	4.063	5	1	KIBF	
CCCc1nc(C(C)(C)O)c(C(=O)OCCCCCC[N+](=O)[O-])n1Cc1ccc(-c2ccccc2C2=NNNN2)cc1	64513543	HJOSQKWIPRUHJV-UHFFFAOYSA-N	577.686	4.046	5	1	KIBF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCc3cccc([N+](=O)[O-])c3)nc1-2	587270397	NKRAFQSMNSOMPP-UHFFFAOYSA-N	509.505	4.179	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)C(F)(F)Br)c2c1	587617632	HUOSSRYVVNJFSA-UHFFFAOYSA-N	518.292	4.364	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cccc(OC)c1OC	4154110	XNGXIUPZSWKBRA-LSYYVWMOSA-N	563.563	4.190	5	1	KIBF	
CCOC(=O)[C@H]1[C@@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169303850	KYKIQEYJCMYACB-TVYALGDOSA-N	587.994	4.140	5	1	KIBF	
COC(=O)C12OC(C(=O)OC)([C@@H]3[C@@H]4C[C@@H]([C@@H]5C(=O)N(CCNC(=O)c6cccc7cc8ccccc8nc67)C(=O)[C@H]54)[C@@H]31)[C@@H]1[C@@H]3C[C@@H]([C@@H]4C(=O)N(CCNC(=O)c5cccc6cc7ccccc7nc56)C(=O)[C@H]43)[C@@H]12	169359782	TVFOSBXCWLIICB-MEPXFGDKSA-N	981.031	4.083	5	1	KIBF	
O=[N+]([O-])c1ccc(-c2cn([C@@H](CN3CCN(CCO)CC3)c3ccc4sc5ccccc5c4c3)nn2)cc1	653888082	WUYDIMMSVZTOKL-SANMLTNESA-N	528.638	4.421	5	1	KIBF	
COc1cc2c(cc1OC)[C@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)N(C(=O)c1ccccc1N)CC2	963137164	IABVGMMKOVBZID-XMMPIXPASA-N	537.960	4.473	5	1	KIBF	
CC(C)=CCN(C(=O)CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)c1ccc2c(C)cc(=O)oc2c1	1911570640	IXDSTMKTHVBICO-UHFFFAOYSA-N	532.597	4.157	5	1	KIBF	
COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	4211312	MTRLERWZXGTCAM-AHWVRZQESA-N	553.955	4.445	5	1	KIBF	
CN(C)CCCNC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)N(C2CCCCC2)[C@@H]1c1ccc(CO)cc1I	95784399	VOVBBHVRMRILLS-XRKRLSELSA-N	648.542	4.304	5	1	KIBF	
COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4COCc4ccc(C(N)=O)cc4)[C@@H](C2)[N@@+](C)(CC2CC2)CC[C@]315	473183271	TYWAMSHOGMWKMF-LCMPUOOSSA-O	559.727	4.380	5	1	KIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587263042	JOUDIYHUNKLXQD-JLZZUVOBSA-N	510.494	4.043	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1	587667005	FRMHGFACHBMXIF-UHFFFAOYSA-N	504.547	4.067	5	1	KIBF	
CCC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(COCCN)N1	26724522	FLMJQBHJNDEDJH-XIFFEERXSA-N	666.823	4.249	5	1	KIBF	in-vivo
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@@H]1CCCO1	26485348	IDFXIZNORARVGR-CLOMRRMMSA-N	625.656	4.170	5	1	KIBF	
COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1O	49756721	BSZWAEKKKVKXHX-GDZAYFCTSA-N	676.543	4.044	5	1	KIBF	
CC[C@@H](COC)Nc1nc(N2CCC(CNC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	105136492	XUOHKXDGTBZAOB-FQEVSTJZSA-N	566.659	4.347	5	1	KIBF	
O=C1[C@@H]2[C@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	29414008	ALWRYSHRLGINAM-ZPAAZFHLSA-N	550.953	4.277	5	1	KIBF	
COc1cc2nc(N3CCN(CCNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCc3ccccc3)c2cc1OC	105128115	OJFYRTRXJIFBEK-UHFFFAOYSA-N	585.665	4.028	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC	4075641	CKJLELAVQUTHRN-XNMGPUDCSA-N	536.560	4.268	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	66122814	KTSODVINMHHXCI-LOSJGSFVSA-N	599.662	4.011	5	1	KIBF	
CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715726	HHXHWBGCTREPSZ-VMPREFPWSA-N	604.704	4.319	5	1	KIBF	
COc1cc2nc(N3CCN(CCNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCOC(C)C)c2cc1OC	105128184	NIULYJLIOBWYDQ-UHFFFAOYSA-N	623.755	4.043	5	1	KIBF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(COc5ccc([N+](=O)[O-])c(F)c5)[nH]c4c3)cc2)CC1	587148162	DDWZLICPWPMFTA-UHFFFAOYSA-N	518.549	4.189	5	1	KIBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21	587745644	KEDRJDWBBCRMNI-HELCXJBJSA-N	539.398	4.205	5	1	KIBF	
O=C1COc2c(cc(Cl)cc2[N+](=O)[O-])N1Cc1nnc(-c2ccc(Cl)cn2)n1CCC(F)(F)F	71340678	CYGGWTOVNXMRNL-UHFFFAOYSA-N	517.251	4.433	5	1	KIBF	
COc1cc2ccn3c(c(-c4ccc(OC)c(OS(=O)(=O)O)c4)c4c5cc(OC)c(OS(=O)(=O)O)cc5oc(=O)c43)c2cc1OC	82140269	SQXVMVLRVNBNTI-UHFFFAOYSA-N	673.630	4.417	5	1	KIBF	
O=C(CN1CCOCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cc(-c2cc3cc(F)ccc3nc2Cl)n1	95575534	RXKBPTMZMRWYTB-UHFFFAOYSA-N	522.924	4.330	5	1	KIBF	
CC(=O)O[C@@H]1C[C@@H](O)[C@@H](C)O[C@H]1[C@@]1(C)C(=O)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)cc5C)C(=O)[C@@]4(C)OC(C)=O)[nH]3	238771335	ORIYDESLCYSDRU-ZQAMHVPDSA-N	628.682	4.203	5	1	KIBF	
CCOc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)ccc1Oc1nn(C)cc1[N+](=O)[O-]	962638253	SMMXYXRQPXAGDQ-OXJNMPFZSA-N	522.436	4.106	5	1	KIBF	
COc1ccc([C@@H]2[C@@H]3CSCN3[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	261182322	WISDMZFSRGRFNR-DUBVAAOESA-N	603.653	4.374	5	1	KIBF	
CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O	261519279	JILJATPHTFGSNK-PPCSLJSZSA-N	925.166	4.470	5	1	KIBF	
COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)S3)cc(OC)c1OC	473166151	DMEYYWIGDSFHHI-SIKLNZKXSA-N	523.527	4.114	5	1	KIBF	
COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccccc1F	587619216	CFKKGEBCURKQJL-UHFFFAOYSA-N	527.486	4.042	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3c(Br)ccc(Br)c3[nH]2)cc1[N+](=O)[O-]	586941175	QGRQBNSARNPDCE-UHFFFAOYSA-N	536.227	4.197	5	1	KIBF	
Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1	586952579	IMJQMXGIXCWZRA-INIZCTEOSA-N	554.423	4.086	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(OCc4ccc(Cl)c(Cl)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587287114	UYIHGZDMBWAKRW-ZRNVJYDMSA-N	742.517	4.431	5	1	KIBF	
Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3cc(F)c(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]	1772622335	SMKNKNCTECJTAZ-UHFFFAOYSA-N	504.313	4.389	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(C2(O)CCCC2)[C@H](O)[C@H]1OCc1ccccc1	2356375336	ZGYVLYDUPZTZQR-RXGYLRSASA-N	583.637	4.211	5	1	KIBF	
COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5ccccc5oc4c3O[C@H]2COC(C)=O)ccc1OC(C)=O	2356551115	QZEHFDVYSBCXHJ-UKILVPOCSA-N	520.490	4.333	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1N	4080081	NWTXIQIPPDJWAN-AOYPEHQESA-N	520.542	4.001	5	1	KIBF	
COc1cc2c(cc1OC)CN(CCn1c(-c3ccc(N(C)C)cc3)nc3cc([N+](=O)[O-])ccc3c1=O)CC2	13438320	GVALHBYTVPPPRH-UHFFFAOYSA-N	529.597	4.113	5	1	KIBF	
COC(=O)CCC1=C(CC(=O)OC)c2cc3nc(cc4[nH]c(c(CC(=O)OC)c4CCC(=O)OC)c([N+](=O)[O-])c4[nH]c(cc1n2)c(CC(=O)OC)c4CCC(=O)OC)C(CC(=O)OC)=C3CCC(=O)OC	238748643	MEQIKSNJPAVIFU-UHFFFAOYSA-N	987.969	4.719	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1	587267107	UBUIENBMYRCBHP-UHFFFAOYSA-N	571.509	4.119	5	1	KIBF	
Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O	587579030	XRPHYSLBHCNBJB-SKCUWOTOSA-N	524.441	4.031	5	1	KIBF	
Cc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Cl	587265611	GHDIPDKCMXFWEL-UHFFFAOYSA-N	551.984	4.062	5	1	KIBF	
CC(=O)N1N=C(c2ccc(I)cc2)C[C@H]1c1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1	653798221	DMMPWCJPEZQOPE-QFIPXVFZSA-N	587.374	4.259	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12	963137871	GWVVZHRTVONQDK-BVZFJXPGSA-N	507.524	4.134	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cccc(OC)c1OC	4154113	VUYOPHVBJXFPKU-LITSAYRRSA-N	579.606	4.479	5	1	KIBF	
Cc1cc2[nH]c([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)nc2cc1[N+](=O)[O-]	586910473	PBXGRMPMADLSED-HJNMMFRCSA-N	595.693	4.177	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	15937457	KWHUACNOJHYSDB-RUZDIDTESA-N	501.587	4.018	5	3	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(F)cc1	770522	KZEIPHTYMGEICR-AHWVRZQESA-N	521.501	4.312	5	1	KIBF	
CC[C@H](COC)Nc1nc(N2CC[C@H](NC(=O)CCCc3ccc([N+](=O)[O-])cc3)C2)nc2cc(OC)c(OC)cc12	105133608	OBQQFCXVOYHQOF-RTWAWAEBSA-N	566.659	4.110	5	1	KIBF	
COc1c(OC[C@H](O)CN(C)C)cc2oc3cc(OC[C@H](O)CN(C)C)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	1857743948	IQSKPFVDZCNMAL-DHIUTWEWSA-N	612.764	4.280	5	1	KIBF	
CN(C)Cc1cccc(COc2nc(NC(=O)OC(C)(C)c3ccc([N+](=O)[O-])cc3)nc3[nH]cnc23)c1	95556279	IUHKRKUWHICJCR-UHFFFAOYSA-N	505.535	4.386	5	1	KIBF	
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	586933935	ZRNWNDRYFFOHPX-UHFFFAOYSA-N	536.573	4.403	5	1	KIBF	
COc1ccc2c(c1)c(CC(=O)NCC(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c(C)n2C(=O)c1ccc(Cl)cc1	1857550254	YGCGKKFBBJQJSU-UHFFFAOYSA-N	633.466	4.026	5	1	KIBF	
COc1ccc(NC(=O)Cn2cc(COc3cc(O)c4c(=O)c5ccc(Br)cc5oc4c3)nn2)cc1OC	1857609060	BSWUKICNZRTSOI-UHFFFAOYSA-N	581.379	4.241	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1	4154186	JGFLMZZKJSYOEY-YTMVLYRLSA-N	579.606	4.479	5	1	KIBF	
C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC(c2ccc(NC(=O)C(F)(F)F)cc2)=NN1	28710385	FZVBSNLCPFQYET-SFHVURJKSA-N	503.359	4.209	5	1	KIBF	
CC(C)(C)NC(=O)[C@H]1c2ccccc2CCN1c1nc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2-c1ccc(F)cc1	28868330	MCVPMSZTHINEFL-HSZRJFAPSA-N	559.554	4.150	5	1	KIBF	
Cc1c(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(=O)[C@]5(C)CC(=O)O)C(=O)[C@]4(C)CC(=O)O)c(C)c3CCC(=O)O	94437898	ZAKGXCNMJBQQNZ-KKLWWLSJSA-N	658.664	4.197	5	1	KIBF	in-vitro,metabolite
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c([N+](=O)[O-])cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586911935	NDYZDTRLQBPRER-UTKBJGKPSA-N	658.749	4.284	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2cc([N+](=O)[O-])ccc2Sc2nc4ccccc4s2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587322378	VGAMFQCBCNFKKG-YEBFPZIISA-N	732.745	4.306	5	1	KIBF	
C[C@H]1CN(CCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)C[C@@H](C)N1CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	49898371	DTDLIUAEGPNYGX-BGYRXZFFSA-N	650.648	4.096	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCNC(=O)c2ccccc2O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@@H]1CCCO1	101489173	UCGVPQZIODJFHF-CPZBHAIQSA-N	565.579	4.071	5	1	KIBF	
CN1CCC[C@H]1COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104962547	MYRZSHMFDAZLQS-SIKLNZKXSA-N	540.667	4.388	5	1	KIBF	
Cc1ccc(-c2nnc(N3CCN(C(=O)CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)CC3)nc2-c2ccc(C)cc2)cc1	299839548	YPGJHMFPPISVHB-UHFFFAOYSA-N	592.704	4.201	5	1	KIBF	
COC(=O)[C@H]([C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)c2cc(OC)ccc2CCN1C(C)C	962094020	VKQGFQZVFKELOW-NOOLENRPSA-N	500.592	4.044	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]12CCc1cc([N+](=O)[O-])ccc12	963067713	RLWLHAGQPDEWGO-BERHBOFZSA-N	507.543	4.263	5	1	KIBF	
O=C1[C@@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	1911581277	PFQKPJKNFWOTFE-IZLXSDGUSA-N	659.103	4.386	5	1	KIBF	
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C(C)C)C(C)C)cc1	95560585	CFOKNQFWJGSGNX-SANMLTNESA-O	527.686	4.070	5	1	KIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(OS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)c(OC)c1)[C@@H](C2)C3=O	587447993	GYNJKUKGOXRLLZ-AVRWGWEMSA-N	511.508	4.177	5	1	KIBF	
O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	767005	SXQMEMKDFFPJFU-GMAHTHKFSA-N	524.327	4.494	5	1	KIBF	
COC(=O)[C@H](N)Cc1ccc(Oc2ccc(O[C@@H]3[C@@H]4O[P@](=O)(O)OC[C@H]4O[C@H]3n3cnc4c(N)ncnc43)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)cc1	587944196	ZNUXNBCKTUQQOL-NHTXFGMXSA-N	819.494	4.013	5	1	KIBF	
O=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCC(O)(c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc2c1=O	28868157	LAPLMXIIQGUYLK-UHFFFAOYSA-N	538.919	4.273	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](Nc1ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c1[N+](=O)[O-])C2	103232136	AJTCMLMKPYAVBB-QKDCVEJESA-N	536.586	4.013	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	253676351	DNYKWQSMQQBJDU-NJRQHTIISA-N	587.994	4.140	5	1	KIBF	
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1	653758710	TWMSWAQXFZHXHR-RUZDIDTESA-N	519.525	4.014	5	1	KIBF	
[O-][N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6([O-])CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2	96900311	RLBPQSFUMJXQQH-LENKSXOTSA-N	616.762	4.292	5	1	KIBF	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2cccc([N+](=O)[O-])c2c1O	587647016	CNVAHYBULPJMNO-VMXFXMJHSA-N	553.612	4.003	5	1	KIBF	
CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3cccc([N+](=O)[O-])c23)n1	587647988	XEGDGCLKRVGZJY-UHFFFAOYSA-N	508.487	4.299	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@@H](CO)C3(c4ccc(O)cc4)CCCC3)O[C@H]12	2356645935	KEBCJXYFIYBLFS-XSPXXKJYSA-N	683.754	4.057	5	1	KIBF	
O=C(O)c1cn(C2CC2)c2cc(N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)c([N+](=O)[O-])cc2c1=O	42877801	LOXYVFFHOMGTQK-UHFFFAOYSA-N	523.933	4.081	5	1	KIBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CCc5cccc([N+](=O)[O-])c5)[nH]c4c3)cc2)CC1	587270709	QTUDBZTUHLJVAM-UHFFFAOYSA-N	512.614	4.299	5	1	KIBF	
O=C1c2ccc(O)cc2O[C@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1	587334568	JSOIGMYIQNMTQG-GJZUVCINSA-N	518.457	4.215	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cccc(OC)c1OC	4154107	XNGXIUPZSWKBRA-LEAFIULHSA-N	563.563	4.190	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	4208245	GETAYCZBYDAERW-HNKPZJSLSA-N	558.975	4.194	5	1	KIBF	
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(C3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)CC2)cc1	49605482	WZHCIDXVUPKZMT-MHZLTWQESA-N	608.717	4.177	5	1	KIBF	
C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	95797966	IRKUNQWGDWYEPQ-IHMCZWCLSA-N	620.728	4.432	5	1	KIBF	
CN1CCC[C@H]1COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104962130	SLTGUQJIKAWMPK-JTHBVZDNSA-N	540.667	4.388	5	1	KIBF	
CC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(C)=O)n4)n3NC(=O)c3cccc([N+](=O)[O-])c3)n2NC(=O)c2cccc([N+](=O)[O-])c2)cs1	169364254	JVRYSYNANAYYFM-UHFFFAOYSA-N	850.907	4.307	5	1	KIBF	
COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CC(=O)O)cc1F	587620732	ZKWOLJZJUUJOJD-UHFFFAOYSA-N	529.502	4.327	5	1	KIBF	
COc1c(NS(=O)(=O)c2ccc(Br)cc2)cc2oc3cccc(OC)c3c(=O)c2c1O	1857771669	JGMRKHCBFGVDRY-UHFFFAOYSA-N	506.330	4.232	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	4211223	VUVRYRLMHZRHLR-OPHFCASCSA-N	525.945	4.207	5	1	KIBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc([N+](=O)[O-])cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586907935	BLHQMPNMYUUCJC-BMOJBSBDSA-N	613.752	4.376	5	1	KIBF	
COc1ccccc1[C@@H]1[C@H]([N+](=O)[O-])[C@@H](Cc2cnc[nH]2)N[C@@]12c1ccccc1-c1nc3ccccc3nc12	1911579317	SLXSPHAYNAQJBQ-ACEYUQJJSA-N	504.550	4.229	5	1	KIBF	
COC(=O)C12OC(C(=O)OC)([C@H]3[C@@H]1[C@H]1C[C@H]3[C@H]3C(=O)N(CCNC(=O)c4cccc5cc6ccccc6nc45)C(=O)[C@@H]13)[C@H]1[C@@H]2[C@H]2C[C@H]1[C@H]1C(=O)N(CCNC(=O)c3cccc4cc5ccccc5nc34)C(=O)[C@@H]21	253854869	TVFOSBXCWLIICB-VGEXDMJDSA-N	981.031	4.083	5	1	KIBF	
CC[C@@H](C)C[C@@H](C)/C=C(/C=C(C)\C=C\C=C\C=C\C=C/C=C/c1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)o1)C(=O)O	299816907	YQULWNMZEPTDEC-LOOOWFPJSA-N	612.716	4.128	5	1	KIBF	
COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)S3)cc(OC)c1OC	473166152	DMEYYWIGDSFHHI-UGKGYDQZSA-N	523.527	4.114	5	1	KIBF	
O=[N+]([O-])c1ccc([C@H]2N=C3NC4=C(C=C3c3nc(=S)[nH]c(O)c32)c2nc(=S)[nH]c(O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N4)cc1	96907345	YZVDBORUMMUPRW-RTBURBONSA-N	627.624	4.369	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(=O)O)c(-c3cnn(-c4ccccc4)c3)c2c1	587620219	ARHXAYNBFZZJFB-UHFFFAOYSA-N	533.522	4.436	5	1	KIBF	
COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	772359	IXEWKXDWURSVNB-ZEQKJWHPSA-N	553.955	4.445	5	1	KIBF	
CNC(=O)c1ccc(CC[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCC2=O)cc1	13587511	MSMYVTTXHZVTAO-DEOSSOPVSA-N	501.539	4.151	5	1	KIBF	
NC(=O)Nc1cc([C@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O	44069989	KXBDUSMFEBYPIH-YFXJRYMSSA-N	526.391	4.416	5	1	KIBF	
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@]3(C)N[C@H](C(=O)O)Cc4c3cnc3ccccc43)c2)CC1	963228882	OMPQXDFKIKZQCI-OUTSHDOLSA-N	547.612	4.063	5	1	KIBF	
COc1ccccc1[C@@H]1[C@H]([N+](=O)[O-])[C@@H](Cc2cnc[nH]2)N[C@]12c1ccccc1-c1nc3ccccc3nc12	1911579323	SLXSPHAYNAQJBQ-QFZPQEGWSA-N	504.550	4.229	5	1	KIBF	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@@H]12	27192582	JINKISLXVHISGQ-PEZOGWSJSA-N	647.725	4.168	5	1	KIBF	
COC(=O)Cc1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621187	PSADMLAOPMUWRB-UHFFFAOYSA-N	513.503	4.407	5	1	KIBF	
O=C(COC(=O)Cc1ccc([N+](=O)[O-])cc1)NCc1cnc2scc(-c3ccc(Br)cc3)n12	1857754275	QRNVJCOMGWTUDT-UHFFFAOYSA-N	529.372	4.136	5	1	KIBF	
Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1[N+](=O)[O-]	13446901	GUXBVFOQZJATQR-SANMLTNESA-N	510.550	4.318	5	1	KIBF	
COC(=O)[C@@H]1OC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)O[C@H]1c1ccccc1	95572734	KVGSIDYXPBYFEL-ZWKOTPCHSA-N	551.499	4.210	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(CNc1ncnc(Nc3ccc(S(C)(=O)=O)cc3)c1[N+](=O)[O-])C2	101660700	PLILOTGLZKBWAX-ROUUACIJSA-N	532.623	4.122	5	1	KIBF	
CCOC(=O)[C@H](N)CCCCn1c(=O)c2c(C)c3cc4[nH]c(cc5[nH]c(cc6nc(c(c-2n3)c1=O)[C@@H](CCC(=O)OC)[C@@H]6C)c(C)c5C=O)[C@](C)(O)[C@]4(O)CC	169366774	MGHRSIDVLFFBBI-RAYHPTDBSA-N	770.884	4.215	5	1	KIBF	
CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587055410	QKBYFXPNEZZKIZ-FQEVSTJZSA-N	508.000	4.282	5	1	KIBF	
Cn1c2ccccc2c(=NCCN2CCOCC2)c2oc3ccc(OCC4CC[N+](C)(C)CC4)cc3c21	1772572000	IITOLJHLJZJBQB-UHFFFAOYSA-N	503.667	4.176	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCOc1ccccc1	4153678	UQVSQOOPGNSJAR-BDYUSTAISA-N	535.553	4.298	5	1	KIBF	
O=C(N[C@@H](COCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2ccccc2[N+](=O)[O-])n1	104968651	KHCDTIUYDFYBSB-QFIPXVFZSA-N	532.578	4.214	5	1	KIBF	
CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1ccccc1[N+](=O)[O-])c1ccccc1)S(=O)(=O)c1ccc(N)cc1	14946732	FPWMFFCUHJOZBC-NDEPHWFRSA-N	611.765	4.178	5	1	KIBF	
COc1cc(O)c2c(=O)c3ccc(OC)c(O[C@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@@H]4O)c3[nH]c2c1	86041866	MHUAXBOYNZWGTG-WUFINQPMSA-N	531.517	4.163	5	1	KIBF	endogenous,in-man
COc1cccc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC	104967592	VDAXYDUADYJGDZ-QFIPXVFZSA-N	576.631	4.367	5	1	KIBF	
C[C@@H]1CN(C(=O)[C@@H](Cc2c[nH]c3c(C(C)(C)C)cccc23)NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)C1CC1	136729537	DNDVBYOVESXLDM-NIYFSFCBSA-N	559.667	4.184	5	1	KIBF	in-vivo
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(I)cnc(Cl)c2[nH]1	587265916	YHMMWMIXIYLXBP-QMMMGPOBSA-N	516.679	4.475	5	1	KIBF	
CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O	587620248	ABGQBHVVCAIAOA-UHFFFAOYSA-N	598.546	4.215	5	1	KIBF	
COC(=O)c1cc(OC)c(O)c2oc(-c3c(C(C)=O)cc4c(=O)c5c(C(=O)OC)cc(OC)c(O)c5oc4c3C(C)=O)cc(=O)c12	2356718530	XWXMXQKIUMKPJQ-UHFFFAOYSA-N	632.530	4.126	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)CC[C@@H]3C[C@H]([C@H](C(O)O)C4(c5ccc(O)cc5)CCCCC4)O[C@H]1[C@]32O	2356764883	UFPJQHFBANWYGK-QVTCIAKHSA-N	739.818	4.154	5	1	KIBF	
Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@@H](CO)c4c3cc(N)c3ccccc43)cc2)ccc1S(C)(=O)=O	73224391	KIQKTOAKLGKXER-RQOTYCFOSA-N	573.739	4.077	5	1	KIBF	
CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)cc([N+](=O)[O-])c5[nH]4)nc3n2)cn1	587128955	VHZDZBWSOUNINR-UHFFFAOYSA-N	532.309	4.278	5	1	KIBF	
Cc1c(Br)ccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	587266771	OOXKDEMRCZASMH-UHFFFAOYSA-N	596.435	4.171	5	1	KIBF	
O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1c(O)ccc([N+](=O)[O-])c1C(=O)c1c(O)ccc([N+](=O)[O-])c12	587512967	QPDBBMUZQYRBSM-SANMLTNESA-N	502.435	4.246	5	1	KIBF	
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	103765465	WGCQDMHAOQGVQC-OZXSUGGESA-N	540.498	4.415	5	3	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C[C@H]12	26294272	NFYHLEZOLSLKJA-CCDWMCETSA-N	590.637	4.018	5	1	KIBF	
CNCCOCCn1c(=O)c2ccc3c4c(N5CCCCC5)cc5c(=O)n(CCOCCNC)c(=O)c6ccc(c7c(N8CCCCC8)cc(c1=O)c2c37)c4c65	95547487	IGGNISZZXPREAI-UHFFFAOYSA-N	758.920	4.416	5	1	KIBF	
Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCOCCOCCP(=O)(O)O)cc3C)cc12	116440446	QQUPAJYYIJEWMA-UHFFFAOYSA-N	539.569	4.357	5	1	KIBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c(F)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O	586906566	FEOYRDQTFJZQAO-DMDQPNBXSA-N	599.656	4.007	5	1	KIBF	
NS(=O)(=O)Cc1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1	586929975	KWBSPVYFSQHDFI-UHFFFAOYSA-N	541.541	4.300	5	1	KIBF	
N=C(N)c1ccc(COc2ccc3cc(C[C@H](NC(=O)c4ccc([N+](=O)[O-])cc4)C(=O)O)ccc3c2)cc1	1772569853	MVECLMCBSQTHHI-VWLOTQADSA-N	512.522	4.037	5	1	KIBF	
COc1ccc([C@@H]2[C@@H]3CSCN3[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	261182324	WISDMZFSRGRFNR-JEPMCMFSSA-N	603.653	4.374	5	1	KIBF	
O=C1c2ccc(O)cc2OC2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)[C@H]1c1ccc(F)cc1	587369594	LMUYQOSEYYLELP-QHCPKHFHSA-N	512.515	4.022	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3F)c(CC(=O)O)c2c1	587620161	QRZBFZYWKGJXFF-UHFFFAOYSA-N	517.466	4.458	5	1	KIBF	
CC(C)(C)OC(=O)NC1[C@@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)c3sc5ccccc5n34)C[C@H]12	101143391	WUTZJFPYEQMVCP-UDQVXKKJSA-N	509.559	4.464	5	1	KIBF	
COc1cc2nc(N3CCCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCOC(C)C)c2cc1OC	105125732	ZDIOKUAPTWOPIE-UHFFFAOYSA-N	566.659	4.443	5	1	KIBF	
O=[N+]([O-])c1cc(Br)cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12	586943361	STEISTIMUNNORA-UHFFFAOYSA-N	583.056	4.280	5	1	KIBF	
CC(C=CC=CC=CC=CC=CC=C(C)C(=O)N[C@H](CC(N)=O)C(=O)O)=C[C@H]1N=C(C=Cc2ccc[nH]2)O[C@@H]1C	2356716551	QGRNAHRIQLDWFF-ZRJLEYOISA-N	544.652	4.332	5	1	KIBF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c5)[nH]c4c3)cc2)CC1	586925044	DVUBXCQSLYZQTI-UHFFFAOYSA-N	583.070	4.195	5	1	KIBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195205660	UZLXDTRAHGCODD-LUZMUVLASA-N	804.894	4.359	5	1	KIBF	
CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203265	DSXATJXYXNRAHX-BLEBADBPSA-N	655.506	4.255	5	1	KIBF	
O=C1CC2(Oc3c1ccc1c3CCCC1)c1c([N+](=O)[O-])ccc(O)c1C(=O)c1c(O)ccc([N+](=O)[O-])c12	587514554	ZOHCORKDKQLCIM-UHFFFAOYSA-N	502.435	4.246	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4153754	WRSVHDVZUBPSEU-NLRIEGLYSA-N	584.626	4.228	5	1	KIBF	
CC(C)[C@H](C)OC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H](C)C(C)C	169371821	VSWRJZIBKDKTKR-IDJLGEMNSA-N	747.824	4.447	5	1	KIBF	
CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C(COCCN)=N1	169716186	PQYKLGRHXIJMQB-NOCHOARKSA-N	666.823	4.462	5	1	KIBF	
CCOC(=O)CCCC[C@@]1(c2ccc(OC)c([N+](=O)[O-])c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963231389	MIFLROKNWCZRAA-AMGIVPHBSA-N	507.543	4.118	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(CC(=O)Cc3nc4ccc([N+](=O)[O-])cc4s3)CC1)C2	1857639658	CIOLVPYIDDXQHY-GOSISDBHSA-N	523.611	4.491	5	1	KIBF	
Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O)ccc3n(C)c12	26278331	JBAARTHDSQEBIF-DEOSSOPVSA-N	605.692	4.143	5	1	KIBF	
O=C(CN1CCOCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cc3cc(F)ccc3nc2Cl)n1	95579600	XOXVGZCHWQFPRV-UHFFFAOYSA-N	522.924	4.330	5	1	KIBF	
Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)NC(=O)OC(C)(C)C)cc1	586933072	XDAWPLYPYAQJQP-INIZCTEOSA-N	594.094	4.152	5	1	KIBF	
CCCCN(CCCC)c1ccc(-c2nn(-c3ncc([N+](=O)[O-])c(N)n3)c(=O)c3ccccc23)c(O)c1	587663982	UXTFUHXAHLHDLU-UHFFFAOYSA-N	503.563	4.445	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]12c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12	963137874	GWVVZHRTVONQDK-CJAUYULYSA-N	507.524	4.134	5	1	KIBF	
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc([N+](=O)[O-])cc3)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	5616030	DLROLUIVVKTFPW-XELASAAXSA-N	520.494	4.134	5	1	KIBF	
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3[N+](=O)[O-])CC2)c1	100058474	QQNJHHMVUURWQD-NPAJZZOTSA-N	606.680	4.396	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)N(C)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169305034	WCYQJOVQMKACRB-LCGRTSHQSA-N	602.021	4.482	5	1	KIBF	
COC(=O)C(=O)C[C@@]1(c2ccco2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963214902	ADQGAPVZHRYVGX-CAQRMWTPSA-N	671.571	4.438	5	1	KIBF	
CCOC(=O)CC[C@H](NC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1)C(=O)OCC	100046363	FDJLDJYHLRLUTJ-CNMWNOCVSA-O	543.084	4.017	5	1	KIBF	
COC(=O)c1cc(C[C@@H](C)CN2C[C@@H]3CCCC[C@@H]3[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2)cc(C(=O)OC)c1	169364472	XCUHKPSXGQGWCF-SDDLEPOWSA-N	620.747	4.434	5	1	KIBF	
COc1ccc([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1Cn1cc(Cl)c([N+](=O)[O-])n1	962665221	LSSLSUUBXVHRAL-ATIYNZHBSA-N	521.961	4.238	5	1	KIBF	
C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@H]3c3cc([N+](=O)[O-])ccc3N(C)C)c(O)c2C(=O)O1	962933895	HZRNWJHNLIWHNS-HVVPNVAPSA-N	579.993	4.362	5	1	KIBF	
CCC1=NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(N)=O	169716137	XIIKDAODIFECTH-SZAHLOSFSA-N	666.823	4.462	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725851	LKQKUGXJPJQUPL-MQIQBBKZSA-N	561.591	4.496	5	1	KIBF	
O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1F	587178365	AEKFXAJKLBRDSC-UHFFFAOYSA-N	509.016	4.486	5	1	KIBF	
CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C	29231577	PSVZRNJUQSYWCB-JOCHJYFZSA-N	700.725	4.383	5	1	KIBF	
O=C(/C=C/c1ccc(C(O)(O)C(F)(F)F)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1	49046828	JYWHAJORAVEELI-KGVSQERTSA-N	514.416	4.200	5	1	KIBF	
CCOCCN(CCOCC)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1cccc([N+](=O)[O-])c1	105163546	XKCRPKGMCFNZHB-UHFFFAOYSA-N	553.616	4.196	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@@H]1CCCCO1	26493689	RODAYEWQVPDDPA-NIKJNYCLSA-N	625.656	4.170	5	1	KIBF	
CCc1ccc(CNc2ccc(C(=O)NCCCN(C)C)c3[nH]c4c([N+](=O)[O-])cccc4c(=O)c23)cc1	1772638425	NQDITFICPZGYCP-UHFFFAOYSA-N	501.587	4.446	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(C2(O)CCCC2)[C@@H](O)[C@@H]1OCc1ccccc1	2356375338	ZGYVLYDUPZTZQR-XDUPDYOVSA-N	583.637	4.211	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCCC1	4152257	FYRNNKUVHZGOOW-ISKFKSNPSA-N	500.983	4.341	5	1	KIBF	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc([N+](=O)[O-])cc3)c2=O)=N1	98082815	AQDWRNUVWJOKEA-XPCGLTFESA-N	532.528	4.060	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N[C@H](CCSC)C(=O)N3CCN(c5ccc([N+](=O)[O-])cc5)CC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	150601262	FFYKYKNSKHOOQW-MXRSULBZSA-N	764.810	4.219	5	1	KIBF	
COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(N[C@H]3CCCCNC3=O)c2cc1OC	105139336	BJYZVRAWQABMGD-QHCPKHFHSA-N	607.712	4.213	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C[C@H]2COc3ccccc3O2)[C@@H]1c1ccccc1[N+](=O)[O-]	169304386	YPULZJXQBKVULX-ZOOYKHNTSA-N	537.569	4.158	5	1	KIBF	
CCC(=O)OC[C@H]1O[C@@H](OC(=O)C(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O[C@H]2O[C@H](COC(=O)CC)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	2356664274	OLBGWEOTCSDWAK-YAXKJZBOSA-N	899.040	4.277	5	1	KIBF	
CC(=O)Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc([C@@H](C)O)oc6cc45)c3cc2o1	2356833855	KKOGRMUGEUPOCA-LLVKDONJSA-N	586.505	4.291	5	1	KIBF	
CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](NC(=O)CN(CC)CC)C(C)(C)O2	28705844	RPYALSUQNBUASR-RUZDIDTESA-N	522.690	4.240	5	1	KIBF	
COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@@H]1c2c(cc(O)c3c(=O)c4cccc(O)c4n(C)c23)O[C@@H]1C(C)(C)O	85907216	FTTSBKFANOKIKQ-JKFCTSDTSA-N	640.645	4.493	5	1	KIBF	endogenous,in-man
CC[C@H](COC)Nc1nc(NCCCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12	105122461	RGNOVURHSYNARV-HXUWFJFHSA-N	554.648	4.333	5	1	KIBF	
COc1cc2c(=O)c3c(O)c(CC=C(C)CO)c(O)cc3oc2c(O)c1CC[C@](C)(O)CCCC(C)(C)O	2356455368	QHWGCVYVZATLQE-GDLZYMKVSA-N	530.614	4.178	5	1	KIBF	
CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	28338827	OSZIVOFXHRKDIM-UHFFFAOYSA-N	638.835	4.239	5	1	KIBF	
CCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)c1ccc([N+](=O)[O-])c2nonc12)OC(=O)CCCCC	84849159	SHDKMRZASDFUQX-IBGZPJMESA-O	603.586	4.447	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2c1	587620824	GYEPMKKXGCZDSK-UHFFFAOYSA-N	540.510	4.459	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@@H]1CCCCO1	26476547	FJZZEGWNIRLCEP-FTGIPYPPSA-N	625.656	4.170	5	1	KIBF	
CC[C@H](COC)Nc1nc(NCCCCNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12	105119330	SWALYENTXSHXAQ-GOSISDBHSA-N	540.621	4.323	5	1	KIBF	
COC(=O)[C@@]12O[C@@](C(=O)OC)([C@H]3[C@@H]1[C@H]1C[C@H]3[C@H]3C(=O)N(CCN=c4c5ccccc5[nH]c5ccccc45)C(=O)[C@@H]13)[C@@H]1[C@H]3C[C@@H]([C@@H]4C(=O)N(CCNC(=O)c5cccc6cc7ccccc7nc56)C(=O)[C@H]43)[C@H]12	377825249	RAGYIMOMMQPFED-FMRCQKOSSA-N	953.021	4.187	5	1	KIBF	
COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1	774089	JNKYENXUPYMUJC-LJQANCHMSA-N	533.537	4.276	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCCCNc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	96938870	BXXRZYWBOBPTCZ-GVQBMFDGSA-N	577.590	4.114	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169299334	UOCNUTYNIHRYPD-TXQOIQMMSA-N	517.513	4.053	5	1	KIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncc(I)cc4[nH]3)cc2)nc1C(F)(F)F	587118862	QONJYFWQZRIZKZ-UHFFFAOYSA-N	514.205	4.401	5	1	KIBF	
COc1cc([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1I	963136544	GDBIWEIMTGUENY-SWLSCSKDSA-N	561.354	4.000	5	1	KIBF	
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1Br	205855122	HEOUZNIIPYLWBL-CZZAQMAHSA-N	631.549	4.094	5	3	KIBF	
COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC	4053621	IWGMMOBHDZLXKI-AHKZPQOWSA-N	535.553	4.080	5	1	KIBF	
CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1	587117404	CAMCNYANCIYLSF-UHFFFAOYSA-N	522.509	4.480	5	1	KIBF	
COc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3n2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	1857761244	XLHFKAWHRKMQOT-UHFFFAOYSA-N	510.524	4.148	5	1	KIBF	
O=C(N[C@H]1CCN(CCc2ccc(OC3CCNCC3)c([N+](=O)[O-])c2)C1)c1ccc(Cl)c(Cl)c1	40933868	XBPOLWOQOJICCC-SFHVURJKSA-N	507.418	4.079	5	1	KIBF	
CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712077	OZTOIYZZDUSMMR-APHLTRPNSA-N	569.592	4.357	5	1	KIBF	
Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O	587579028	XRPHYSLBHCNBJB-DWACAAAGSA-N	524.441	4.031	5	1	KIBF	
COc1ccc2c(c1OC)[C@H](c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccccc1N)CC2	963150654	WIKRFGNKUHAQSP-SANMLTNESA-N	513.554	4.383	5	1	KIBF	
O=C1NCCN/C1=C/[C@]1(c2ccccc2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963215997	OGFLUURJLLNEQB-LSYCIDMLSA-N	691.653	4.316	5	1	KIBF	
COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	773530	OJEWTRWJPDEQAI-IBGZPJMESA-N	521.501	4.407	5	1	KIBF	
CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1	4215284	DRKSHXHXARRVIY-YZYNAAERSA-N	513.591	4.346	5	1	KIBF	
COc1ccccc1CCNC(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1	105164816	LODHSLCIYLGKAH-UHFFFAOYSA-N	527.537	4.374	5	1	KIBF	
COc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC	104952712	UFQZRUJYWXBDIO-NRFANRHFSA-N	546.605	4.393	5	1	KIBF	
CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CC(=O)C(=O)OC)c1ccccc1[N+](=O)[O-]	962987754	NFNVBNSKJKNNHO-SSEXGKCCSA-N	595.004	4.299	5	1	KIBF	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O	587650937	XPFUDSCIDOOJPT-ZEQRLZLVSA-N	504.520	4.338	5	1	KIBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccnc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](OC(=O)NCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@]1(C)O	1857638499	OXINUBPSWBEDBD-GVRQZTCISA-N	970.127	4.175	5	1	KIBF	
O=C(CCN1CCCC[C@H]1CCO)Nc1ccc2c(O)c3cc(NC(=O)CCN4CCCC[C@H]4CCO)ccc3nc2c1	261118351	JCDJTQVXTSHHLI-UIOOFZCWSA-N	591.753	4.225	5	1	KIBF	
C[C@]1(c2ccc3cc4ccccc4cc3c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587309046	AKBLSGTXZIAFSH-QPBKTWBUSA-N	636.653	4.118	5	1	KIBF	
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	17307113	WGCQDMHAOQGVQC-BVAGGSTKSA-N	540.498	4.415	5	3	KIBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	4211218	VUVRYRLMHZRHLR-ZWSUVBHBSA-N	525.945	4.207	5	1	KIBF	
COc1cc2c(cc1OCCN1CCOCC1)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2	29125993	PVCFEQBTCZYOHF-UHFFFAOYSA-N	520.542	4.299	5	1	KIBF	
CCN(CC)C(=O)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)c2sc4ccccc4n23)C1	101465577	GLAMRIWTSKFFTJ-HNNXBMFYSA-N	522.583	4.359	5	1	KIBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253667796	UZLXDTRAHGCODD-GGICQYMOSA-N	804.894	4.359	5	1	KIBF	
Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)c(C)c1[N+](=O)[O-]	587655899	DDLFPOQAPFJGLF-UHFFFAOYSA-N	505.437	4.393	5	1	KIBF	
CC[C@H](C)C[C@H](C)C=C(C=C(C)C=CC=CC=CC=CC=Cc1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(=O)o1)C(=O)O	2356656813	YQULWNMZEPTDEC-KZMUVZMXSA-N	612.716	4.128	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCCC1	4152266	FYRNNKUVHZGOOW-UPVQGACJSA-N	500.983	4.341	5	1	KIBF	
COc1cccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC	104952707	UFQZRUJYWXBDIO-OAQYLSRUSA-N	546.605	4.393	5	1	KIBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1	587266141	IYUYWZPRTUHOCS-QKVFXAPYSA-N	546.949	4.368	5	1	KIBF	
COc1onc(-c2c(F)cccc2F)c1C(=O)N1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1	28867607	QRNJBCPZGYATHV-UHFFFAOYSA-N	650.526	4.035	5	1	KIBF	
N=C(N)c1cccc(Oc2cc([N+](=O)[O-])ccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1	29396258	SSJXGCLPHVLZOM-UHFFFAOYSA-N	531.550	4.238	5	1	KIBF	
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3cccc([N+](=O)[O-])c3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	31829718	OSNQMLDRHAFGFD-PAWHMVCQSA-N	520.494	4.134	5	1	KIBF	
CN1CCN(c2cc3c(=O)n(CCN4CCCCC4)c(=O)c4ccc5c6c(N7CCN(C)CC7)cc7c(=O)n(CCN8CCCCC8)c(=O)c8ccc(c2c5c43)c6c87)CC1	95547491	OZNOWHOACNHVAX-UHFFFAOYSA-N	809.028	4.438	5	1	KIBF	
CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cc2)c1)C1CC1	95566586	HIDLUXWRMJQFNK-UHFFFAOYSA-N	619.700	4.050	5	3	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)CN(C)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	253961381	UOCNUTYNIHRYPD-AOLGGSBGSA-N	517.513	4.053	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)OC(C)C)c2c1	587620705	ZEAUEYAXFFWANA-UHFFFAOYSA-N	501.439	4.470	5	1	KIBF	
Cn1c2ccccc2c(=NCCN2CCCCC2)c2oc3ccc(OCC[N+]4(C)CCOCC4)cc3c21	1772577756	MVKLOCJMJNRLGP-UHFFFAOYSA-N	503.667	4.320	5	1	KIBF	
C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N5[C@H]6[C@@H]([C@@H]([C@H]1C[C@@H]32)[C@]54O)N1c2ccccc2[C@]23CC[N@+]4(C)C/C(=C/C)[C@H](C[C@@H]24)[C@H]6[C@]13O	255218850	HVWCEUHZKLPKRE-CMZVOMRFSA-N	616.850	4.274	5	1	KIBF	
O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	586944101	KTDRWXJFPSIFNS-UHFFFAOYSA-N	535.029	4.271	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3cnn(C)c3C)c2c1	587619538	JRHQZCGFSYRRIY-UHFFFAOYSA-N	519.486	4.096	5	1	KIBF	
O=C(N[C@@H](Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1)OCc1ccccc1	28979092	LQRSZKOXQWYBGF-HKBQPEDESA-N	672.716	4.185	5	1	KIBF	
COc1cc2nc(N3CC[C@H](NC(=O)CCCc4ccc([N+](=O)[O-])cc4)C3)nc(NCc3ccco3)c2cc1OC	105132606	QYVBIRQWSHPVNB-FQEVSTJZSA-N	560.611	4.478	5	1	KIBF	
Cc1ccc(C2=C(C(=O)Nn3cnc([N+](=O)[O-])n3)C(=O)N[C@](c3ccc(OCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1	1772571284	KIXYHGJIKLOPFW-HSZRJFAPSA-N	598.460	4.328	5	1	KIBF	
Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1[N+](=O)[O-]	1772576242	ZRGLOCZGYSBBDT-UHFFFAOYSA-N	534.518	4.078	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1	263591726	BQBOHWRUTCPNKL-LVNJIZSUSA-N	515.408	4.233	5	3	KIBF	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	768712	QAZALSJOCLSJCI-YTJPUZGESA-N	558.975	4.194	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	768890	AUTDUZQGJSYWGE-AOYPEHQESA-N	553.955	4.445	5	1	KIBF	
COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	4078280	HCFSXSDZKALSGD-JYFHCDHNSA-N	553.955	4.445	5	1	KIBF	
CCCCNS(=O)(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587053759	GRCVLKNVWQABTC-HXUWFJFHSA-N	508.000	4.330	5	1	KIBF	
COc1ccccc1-n1c([C@H](C)N2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H](C)C2)nc2ccccc2c1=O	49766868	DEMUODXSBPGFCP-OALUTQOASA-N	572.578	4.118	5	1	KIBF	
COc1cc2oc3c(O)c4ccc5cc6c(c(O)c5c4c(O)c3c(=O)c2cc1OC)C(=O)N1CCO[C@]1(C)C6	83922139	HKGLETKFBVSBOX-GDLZYMKVSA-N	529.501	4.131	5	1	KIBF	in-vitro
O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1cccc(Br)c1)c1cccc2c1OCCO2	169337251	ARFVJANLSOXNHJ-FPLPWBNLSA-N	500.305	4.352	5	1	KIBF	
COC(=O)C(=O)c1c(-c2cc(F)ccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587619242	DMSXOZZQAUGRPI-UHFFFAOYSA-N	545.476	4.186	5	1	KIBF	
COc1ccc(-c2ccc(-c3cn(Cc4ccc(C(=O)O)cc4[N+](=O)[O-])nn3)cc2)cc1CN1CCOCC1	84653544	YZGMKGBHROIZAV-UHFFFAOYSA-N	529.553	4.108	5	1	KIBF	
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C)CCC[C@]4(C)[C@H]2C[C@H]1C[C@H]3C(=O)OC[C@H](O)C[N+](C)(C)C	299837070	OGKYRXJDCCPPSP-CUBOPHMRSA-N	606.889	4.038	5	1	KIBF	
O=[N+]([O-])c1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1	28332668	UNWJNDWFSWURRC-UHFFFAOYSA-N	565.682	4.168	5	1	KIBF	
NC(=O)[C@H](Cc1ccc(Oc2c(Cl)cccc2Cl)cc1)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCO2	28708923	UAYREXSDPJPLTA-SFHVURJKSA-N	532.336	4.178	5	1	KIBF	
COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c6c(c7c([C@@H](C)O)c([C@@H](C)O)c1c(c23)c7c54)OCO6	238783260	IPHVFOFIADOHOD-NXEZZACHSA-N	544.512	4.053	5	1	KIBF	
CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)c2c1	263614510	LVFGMGNFRLRSFM-LAABSITASA-O	662.925	4.321	5	1	KIBF	in-vitro
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)C[C@@H]3CC[C@H](O)[C@H](C4(c5ccc(O)cc5)CCCC4)[C@H]3O[C@H]12	2356371845	REUVKBRSVUNCKJ-HESUIXMZSA-N	709.792	4.445	5	1	KIBF	
O=C(NCCCN1CCCC1=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	2481348	FIXPJFSREIITFU-UHFFFAOYSA-N	512.906	4.041	5	1	KIBF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nnc(SCc5ccccc5[N+](=O)[O-])s4)CC3)cc21	28528808	WFBGBZCCLBHDHG-UHFFFAOYSA-N	570.628	4.237	5	1	KIBF	
COc1cc2c(cc1OC)CN(c1nc(=NCCc3cccc(OC)c3OC)[nH]c3ccc([N+](=O)[O-])cc13)CC2	1857762926	MZWDDNWMSIULOR-UHFFFAOYSA-N	545.596	4.212	5	1	KIBF	
O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)nn1CC(F)(F)F	587091182	HEWAAIQFJGEYHT-UHFFFAOYSA-N	500.846	4.351	5	1	KIBF	
CN(CCOCCNC(=S)NC(=O)c1ccc2c(O)c3ccccc3c(O)c2c1)Cc1ccccc1	169713826	AHUAPKLHAYLLNE-UHFFFAOYSA-N	503.624	4.157	5	1	KIBF	
COc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@H](Cc3cnc[nH]3)N[C@]23c2ccccc2-c2nc4ccccc4nc23)cc1	1911580369	JUPLNCDYYPPYDS-HLBHGXTFSA-N	504.550	4.229	5	1	KIBF	
C[C@H]1CCCCN1CCCNc1ccc([C@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	253951226	JBZYAXXCWAXGSS-MBSDFSHPSA-N	560.493	4.309	5	3	KIBF	
O=c1c2ccc(Cl)cc2oc2c(OC[C@H](O)CN3CCN(CCOc4ccccc4)CC3)cccc12	95593032	MPPVQMCVPVTKMQ-OAQYLSRUSA-N	509.002	4.036	5	1	KIBF	
C[C@H]1CN(C(=O)[C@H](Cc2c[nH]c3c(C(C)(C)C)cccc23)NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)C1CC1	136729663	DNDVBYOVESXLDM-SIBVEZHUSA-N	559.667	4.184	5	1	KIBF	in-vivo
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(Br)cc2[nH]1	587264930	QJJOCNKFKKOLBK-MLXNANBUSA-N	515.118	4.438	5	1	KIBF	
CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc([N+](=O)[O-])nn4C)[nH]c3cc21	587274376	KDDFEASIOXOPOM-UHFFFAOYSA-N	581.497	4.290	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)CCN3C(=O)c4ccccc4C3=O)c2c1	587620721	FVMBAJCSUZPYEF-UHFFFAOYSA-N	562.560	4.063	5	1	KIBF	
COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(C(=O)O[C@H](C)Cn4c([N+](=O)[O-])cnc4C)cc3)C2)cc1	653791428	XRWHSRBIHREGDO-GYCJOSAFSA-N	505.531	4.051	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1	4204526	DSMWOKUTEQOUAX-XCZPVHLTSA-N	563.563	4.190	5	1	KIBF	
CN(C)c1cccc2c(S(=O)(=O)NC[C@H](OC(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccc(OS(=O)(=O)O)cc3)cccc12	84672163	USXUAUYEVOBQCH-VWLOTQADSA-N	630.657	4.264	5	1	KIBF	
C[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(C)C/C7=C\CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@H]54)[C@@H]69	255219602	IIYHWTVUYIYKKG-WEAPJNKVSA-N	614.834	4.363	5	1	KIBF	
N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587180913	QECDBSXBNRKFLD-SNVBAGLBSA-N	584.539	4.282	5	1	KIBF	
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c([N+](=O)[O-])c1	263591725	BQBOHWRUTCPNKL-LRGYGIHKSA-N	515.408	4.233	5	3	KIBF	
COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cc(F)ccc1F	587620696	YTQGSUATGDRJIT-UHFFFAOYSA-N	545.476	4.181	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	4037612	RGWMAGLAPYUJPF-ISKFKSNPSA-N	510.934	4.256	5	1	KIBF	
CC1=C([C@H](O)CO)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)C([C@@H](O)CO)=C3C	253632510	GAVJVYKTGGHFIM-IHLOFXLRSA-N	630.698	3.534	5	1	KIBF	
CCOC(=O)CC[C@H](NC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@@+]2(C)Cc1ccccc1)C(=O)OCC	253644076	FDJLDJYHLRLUTJ-RMLUEJLFSA-O	543.084	4.017	5	1	KIBF	
Cn1c2ccccc2c(=NCCN2CCCCC2)c2oc3ccc(OCC(=O)NCCN4CCCCC4)cc3c21	1772586710	HLYGUFHDCHNTKS-UHFFFAOYSA-N	543.712	4.445	5	1	KIBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21	587746140	LMBZHIANQVCYAL-WFAYQKMASA-N	539.398	4.205	5	1	KIBF	
O=[N+]([O-])c1ccc(OCc2cn(Cc3ccc(Br)cc3)nn2)c(I)c1	653807528	JTFBHTYDWIZNNN-UHFFFAOYSA-N	515.105	4.181	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3cc(Br)cn3)c2c1	587619137	ZXBOAROSFQZIMI-UHFFFAOYSA-N	506.338	4.142	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	95617288	KVYPAYCUCJEEQN-UWZSICEDSA-N	748.811	4.377	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1	102715436	BQBOHWRUTCPNKL-IMAQQZIHSA-N	515.408	4.233	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	261132258	LKQKUGXJPJQUPL-LKFSIGMXSA-N	561.591	4.496	5	1	KIBF	
O=C(O)c1ccc2c(c1[N+](=O)[O-])[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O	587577247	RHEUJWVQNAZHEH-DWACAAAGSA-N	509.426	4.448	5	1	KIBF	
O=C(N[C@@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)C(=O)O)c1ccc([N+](=O)[O-])cc1	473136393	QTADGRYGBFKDMB-VWLOTQADSA-N	508.575	4.051	5	1	KIBF	
N=C(NCCc1ccc2[nH]c3c(c2c1)C[C@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@@H]3O5)NCc1ccc([N+](=O)[O-])cc1	169717899	HCJUFDKLTMZAFF-GFXZUGCGSA-N	634.737	4.337	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1	587665974	VHVZZCZMYGOKHF-UHFFFAOYSA-N	543.580	4.049	5	1	KIBF	
O=C(c1coc2ccccc2c1=O)N1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)c3ccc([N+](=O)[O-])cc23)CC1	653790218	UDBOGDNCUXGYAL-UHFFFAOYSA-N	567.514	4.152	5	1	KIBF	
O=c1cc(CSc2nc(O)c3ccccc3n2)c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2o1	1857763014	OXJMPDSNRKNICM-UHFFFAOYSA-N	537.531	4.410	5	1	KIBF	
Cn1cc(C(=O)O)c(=O)c2c3ccc(F)c(N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3ncc21	28762838	XAYFCWSAMHDMIN-UHFFFAOYSA-N	500.452	4.269	5	1	KIBF	
O=S(=O)(O)c1ccc(/N=c2/cc3n(-c4ccccc4)c4ccccc4nc-3c3ccc(S(=O)(=O)O)cc23)c(S(=O)(=O)O)c1	263614748	TUTFTSGRPHVEDD-OLFWJLLRSA-N	637.673	4.256	5	1	KIBF	in-vitro
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(c3cc4c(cc3[N+](=O)[O-])c(=O)c(C(=O)O)c3sc5ccccc5n34)C[C@@H]21	299806315	BVQPMRSEDATNDE-JORQVXCQSA-N	536.566	4.233	5	1	KIBF	
Cc1cc(Br)c2[nH]c(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	587265436	DRBJIQBKYBYTFP-UHFFFAOYSA-N	596.435	4.171	5	1	KIBF	
COc1ccc2c(=O)c3c(O)cc4c(c3n(C)c2c1[C@@]1(O)C(=O)c2cc(C)cc3ccc(=O)n1c23)C=CC(C)(C)O4	653702458	XLPUBLKUJHSITH-JGCGQSQUSA-N	550.567	4.103	5	1	KIBF	
CC(=O)c1ccc2c(c1)[C@]1(CCN(C(C)=O)c3cc([N+](=O)[O-])ccc31)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2	962634359	VJCNLEYRNWIYCC-WNCULLNHSA-N	523.542	4.044	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587288970	MZPSZTGBXUGYTM-CUOCVEGISA-N	727.597	4.357	5	1	KIBF	
Cc1ccc(COc2ccc([C@@]3(C)Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)cc2Cl)cc1[N+](=O)[O-]	587284281	GRSJLDWHHJXLKF-QPBKTWBUSA-N	736.126	4.260	5	1	KIBF	
COc1cc([C@@H]2C3=C(COC3=O)N(CCc3ccc([N+](=O)[O-])cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC	653821647	FWBPINALCYVSMX-SANMLTNESA-N	546.532	4.355	5	1	KIBF	
O=C(c1ccc(Br)cc1)c1[nH]c2ccccc2c1Nc1nc(N2CCOCC2)ncc1[N+](=O)[O-]	1772586089	GIETZNXSLYROOQ-UHFFFAOYSA-N	523.347	4.440	5	1	KIBF	
CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1nn(CCCCNc3ccc([N+](=O)[O-])c4nonc34)c3ccccc13)C2	103224213	VJEBGMIAGKMECI-LDLYASANSA-N	532.605	4.118	5	1	KIBF	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc([N+](=O)[O-])c1	212413915	HRJXRQKWGJTVEE-UHFFFAOYSA-N	585.572	4.054	5	1	KIBF	in-vitro
CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1	587667459	JOOBGRXZGWHBHR-MRXNPFEDSA-N	518.574	4.313	5	1	KIBF	
CC(=CC=CC=CC=CC=CC=CC=CC=C[C@@H]1N=C(C=Cc2ccc[nH]2)O[C@@H]1C)C(=O)N[C@H](CC(N)=O)C(=O)O	2356752049	JGWQTBBYPIXQNM-FPNNDXFKSA-N	556.663	4.498	5	1	KIBF	
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)c1cccc(CO[N+](=O)[O-])c1[N+](=O)[O-])CC2	42920575	CPMWKMVPVZMVMV-FQEVSTJZSA-N	597.602	4.495	5	1	KIBF	
Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccc(F)cc5F)cc4c(=O)c3c2)cn1	95584729	XUAMHBUZXXVHOS-UHFFFAOYSA-N	506.534	4.047	5	1	KIBF	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C/c3ccc([N+](=O)[O-])cc3)c2=O)=N1	98082816	AQDWRNUVWJOKEA-MGSPXPDISA-N	532.528	4.060	5	1	KIBF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)cc1	586951900	CXJYJMNMGFIESO-CMDGGOBGSA-N	613.052	4.422	5	1	KIBF	
CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4c5ccccc5c5ccccc5c4[nH]3)CC2)CC1	586956085	SYIPPILMMLWFFL-UHFFFAOYSA-N	505.644	4.182	5	1	KIBF	
CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cnc([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1	587663520	JBNVAVRPCBSSOG-UHFFFAOYSA-N	519.562	4.016	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4153756	WRSVHDVZUBPSEU-CIHKJSBTSA-N	584.626	4.228	5	1	KIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c1)[C@@H](C2)C3=O	587447453	AHTURKISQCMUAK-AVRWGWEMSA-N	511.508	4.177	5	1	KIBF	
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCn3c4ccccc4c(=O)c4ccccc43)cn2C)cn1C	28711783	WGGSZXZITCFSMG-UHFFFAOYSA-N	609.731	4.184	5	1	KIBF	
COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)OCC3)c2cccc(OCC(=O)O)c2)cc1OC	84690504	XVYQOOROULYEBB-XTEPFMGCSA-N	684.720	4.471	5	1	KIBF	
COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1C(=O)OC	587621025	LXBYNCVPBDXRGT-UHFFFAOYSA-N	623.575	4.451	5	1	KIBF	
C[C@]1(COc2ccc(-n3cc(COc4ccc(OC(F)(F)F)cc4)nn3)cc2)Cn2cc([N+](=O)[O-])nc2O1	653808102	JYLNXPXYFPKIFB-JOCHJYFZSA-N	532.435	4.080	5	1	KIBF	
CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	4052434	YAWKNMOYCGNQRW-BDYUSTAISA-N	519.554	4.461	5	1	KIBF	
COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	4079380	QNCJHYMUBOWLLT-AHWVRZQESA-N	553.955	4.445	5	1	KIBF	
CCN(c1cc(-c2ccc(C[N+]3([O-])CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCS(=O)CC1	205342034	WCDQMCBGLCCITB-UHFFFAOYSA-N	620.816	4.479	5	1	KIBF	
COCCN1C(=O)C[C@@]2(C=C1C)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963229119	HEZWFPOCSBMXTD-UBOZLPQGSA-N	658.620	4.447	5	1	KIBF	
COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c6c(c7c([C@@H](C)O)c([C@H](C)O)c1c(c23)c7c54)OCO6	2356553628	IPHVFOFIADOHOD-VHSXEESVSA-N	544.512	4.053	5	1	KIBF	
CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN(C(=O)OCc3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c([N+](=O)[O-])c3)[C@H]1[C@H]2C	95539222	SWQHSMHFXZXJJZ-CTDLUEAJSA-N	782.884	4.230	5	1	KIBF	
O=C(Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O	103288408	GZRFRRCPFZMIHP-UHFFFAOYSA-N	594.005	4.157	5	1	KIBF	
O=C(c1c(Cc2cc(F)c(F)cc2F)[nH]c2cccc([N+](=O)[O-])c12)N1CCn2c(nnc2C(F)(F)F)C1	587646620	YBQLRRNAYTXREF-UHFFFAOYSA-N	524.381	4.351	5	1	KIBF	
O=C(O)c1c(=O)c2cc([N+](=O)[O-])c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2n2c1sc1ccccc12	101149999	PXHICLCRQNQAHV-UHFFFAOYSA-N	558.572	4.325	5	1	KIBF	
CCC1=NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(N)=O	169716138	XIIKDAODIFECTH-KKLWWLSJSA-N	666.823	4.462	5	1	KIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1	587262654	HGLOXLWJKISUIH-SFHVURJKSA-N	620.644	4.421	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)C	26493783	IMIHEHDOLNQKTK-NJEMLTPYSA-N	583.619	4.400	5	1	KIBF	
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)OCc1ccccc1	587223061	LUTQRCNKBFZVJL-XZWHSSHBSA-N	620.666	4.353	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(F)c(Br)c3[nH]2)c([N+](=O)[O-])c1	587266618	LTRZSWNSHUEEPX-UHFFFAOYSA-N	600.398	4.002	5	1	KIBF	
N[C@@H](CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587271086	ZXKICNAVUPFXPA-IBGZPJMESA-N	562.530	4.189	5	1	KIBF	
CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2CCc3ccc([N+](=O)[O-])cc3C2)CC1	35923047	KDICVURCXPMQFP-NRFANRHFSA-N	504.006	4.416	5	1	KIBF	
COC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1	587620446	BZZWFKLSDWOEKT-UHFFFAOYSA-N	538.538	4.233	5	1	KIBF	
CC(=O)c1ccc2c(c1)[C@@H](c1ccc3c([N+](=O)[O-])ccc(O)c3n1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2	962635148	UIARHCMJQDWYCN-REWPJTCUSA-N	507.499	4.387	5	1	KIBF	
COc1ccc(CNC(=N)c2ccc(N3CCN(c4nnc(-c5ccc([N+](=O)[O-])o5)s4)CC3)cc2)cc1	71295725	NBMCVJGWEJSCJE-UHFFFAOYSA-N	519.587	4.157	5	1	KIBF	
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1	102715431	BQBOHWRUTCPNKL-NBJYBMASSA-N	515.408	4.233	5	1	KIBF	
O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@]2(N1)c1cccc3c1N(CCC3)C(=O)[C@@H]2C(=O)Nc1cccc([N+](=O)[O-])c1	962697113	LBVQVISQWWVEKG-LXWOLXCRSA-N	598.509	4.143	5	1	KIBF	
CC1=C(C(=O)OCC(Br)(Br)Br)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1CCCC(=O)O	72137765	MNFRVPPMNJKMNY-HNNXBMFYSA-N	628.068	4.182	5	3	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(S(C)(=O)=O)c2c1	587621196	QCANBLMTSRSHPY-UHFFFAOYSA-N	519.532	4.095	5	1	KIBF	
O=C(CCN1CCCC[C@H]1CCO)Nc1ccc2nc3cc(NC(=O)CCN4CCCC[C@@H]4CCO)ccc3c(O)c2c1	261118346	JCDJTQVXTSHHLI-IZZNHLLZSA-N	591.753	4.225	5	1	KIBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(CN2CCC(c3noc4cc(F)ccc34)CC2)CC1	653784846	ROSOQGNSHDTFEN-UHFFFAOYSA-N	502.568	4.155	5	1	KIBF	
COc1ccc([C@@]2(Cn3cc([N+](=O)[O-])nc3C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1	963177374	CYBXGZNTKRAXAP-DENIHFKCSA-N	524.883	4.323	5	1	KIBF	
C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c3c(C(C)(C)C)cccc23)NC(=O)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)C1CC1	136729617	DNDVBYOVESXLDM-BCHFMIIMSA-N	559.667	4.184	5	1	KIBF	in-vivo
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169363108	UZLXDTRAHGCODD-AVNMUIAKSA-N	804.894	4.359	5	1	KIBF	
CCOC(=O)c1cc(Br)c2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2c1	587270564	VOLPYYDBWFKNDQ-UHFFFAOYSA-N	501.337	4.430	5	1	KIBF	
COc1ccc(-c2cn3cc(C4=CCN(S(=O)(=O)c5ccccc5[N+](=O)[O-])CC4)ccc3n2)cc1OC	1857614818	DPGWYJXPWXTJQO-UHFFFAOYSA-N	520.567	4.405	5	1	KIBF	
C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cccc3c2c(cc2ccncc23)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	3931436	WBCZYWULRYCUAI-WOJBJXKFSA-N	630.661	4.298	5	1	KIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1	587262148	OGUPAYJRUZVNRI-UHFFFAOYSA-N	539.531	4.324	5	1	KIBF	
CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c([C@@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)CC1	962730528	NXGFOTXKTGLJCA-BWKNWUBXSA-N	519.520	4.284	5	1	KIBF	
Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587269953	UKVCAOZISAPIFO-UHFFFAOYSA-N	573.635	4.337	5	1	KIBF	
CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(C)Cn1ccc([N+](=O)[O-])n1	962986984	KHWUTKCOSAIUCU-VWLOTQADSA-N	512.950	4.035	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1	4153920	NWQXAXRNXWEKTK-YLORPAJWSA-N	523.973	4.459	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cc(OC)ccc1OC	4154149	QZUIWZACZRCFBZ-LMSSTIIKSA-N	579.606	4.479	5	1	KIBF	
C[N@@+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N@@+]4(C)CCCC[C@@H]4CCO)ccc2-3)CCCC[C@H]1CCO	261171294	SZVDRBYYPUPHQW-ODIIMQSZSA-P	606.808	4.318	5	1	KIBF	
CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O	261519282	JILJATPHTFGSNK-UPUDRWETSA-N	925.166	4.470	5	1	KIBF	
O=C1c2c([N+](=O)[O-])ccc(O)c2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21	587577563	SRUSJQPQBDPKMH-KCWPFWIISA-N	542.412	4.070	5	1	KIBF	
CCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(C(=O)O[C@@H](C)Cn4c([N+](=O)[O-])cnc4C)cc3)C2)cc1	653792941	RJQSBCKLTGILQO-GKVSMKOHSA-N	519.558	4.442	5	1	KIBF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@]1(c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(C)c1	961792611	ZJYFLQJSRSRRCF-ODTVBPJYSA-N	610.642	4.026	5	1	KIBF	
CN1CCN(C(=O)CCC(=O)Nc2cc3c4ccccc4c(NC(=O)CCC(=O)N4CCN(C)CC4)cc3c3ccccc23)CC1	64564999	SSPFLSOESYAVIT-UHFFFAOYSA-N	622.770	4.132	5	1	KIBF	
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)O[C@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@]2(Cl)C(=O)OC[C@H]12)OCO3	150583993	JWSCMUXWWFDHKM-HNCXOMDISA-N	655.996	4.330	5	1	KIBF	
O=[N+]([O-])c1ccc(-n2cc(CN(Cc3cn(-c4ccc([N+](=O)[O-])cc4)nn3)c3nc4ccccc4s3)nn2)cc1	96906748	DVBIIAXXGNOVQR-UHFFFAOYSA-N	554.552	4.481	5	1	KIBF	
O=C1C[C@@H]2C[C@@]3(C[C@@H]2CN1)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N3C(=O)OCC1c2ccccc2-c2ccccc21	963218552	SWFRUDHYUPMHJE-QFJAVIPCSA-N	628.594	4.210	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	49710941	BBJRXDZOCBYFCX-OUMDNPPYSA-N	587.994	4.140	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCc2ccc(F)cc2)c([N+](=O)[O-])c1	17577110	QGHYBBFVPCGBPH-JOCHJYFZSA-N	543.393	4.426	5	3	KIBF	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	103287561	UAYSNOPJKNCJLB-GDLZYMKVSA-N	604.704	4.106	5	1	KIBF	
COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(C(=O)O[C@H](C)Cn4c([N+](=O)[O-])cnc4C)cc3)C2)cc1	653791430	XRWHSRBIHREGDO-VOIUYBSRSA-N	505.531	4.051	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)(C)C	26480948	VAKKSARVQTZBHL-QPQMVVSWSA-N	569.592	4.357	5	1	KIBF	
Cc1noc(C)c1COC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCc1cccc2ccccc12	40395125	LWTLKFWVJBSSCT-HSZRJFAPSA-O	507.544	4.386	5	1	KIBF	
COc1cc2nc(N3CC[C@@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc(NCCCOC(C)C)c2cc1OC	105133351	CALGQEGKBLYEHI-LJQANCHMSA-N	552.632	4.099	5	1	KIBF	
COc1cc(N2CCN(C)CC2)c2cc1Nc1ncc(Cl)c(n1)Nc1cc(ccc1N(C)S(C)(=O)=O)C=C2	73198874	YUQYFLQGUXUMBN-UHFFFAOYSA-N	556.092	4.257	5	1	KIBF	
O=C1c2ccc(O)cc2O[C@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])[C@H]1c1ccc(F)cc1	587334573	JSOIGMYIQNMTQG-NVQXNPDNSA-N	518.457	4.215	5	1	KIBF	
O=C(N[C@H](COCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104968400	VMQGFXRYFKXIPW-HSZRJFAPSA-N	532.578	4.214	5	1	KIBF	
COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c4)[nH]c3c2)cc1	586926202	MGELWRQKMSJMET-UHFFFAOYSA-N	536.975	4.004	5	1	KIBF	
CCOC(=O)[C@]1(CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21	587747463	QTKIDLVQNVEJRT-AMXDTQDGSA-N	509.328	4.076	5	1	KIBF	
COC(=O)c1n[nH]c(-n2cccc2[C@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)n1	963237345	OEVJKSWSCYNTAL-AHWVRZQESA-N	695.601	4.254	5	1	KIBF	
COc1ccc(N2C=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	1772635140	SHRXETZMASVGCF-MHZLTWQESA-N	563.574	4.123	5	1	KIBF	
COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	772367	XTJUVNSRTMMATQ-AOYPEHQESA-N	553.955	4.445	5	1	KIBF	
COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4081133	VLBMCQXIOKYMBG-UPVQGACJSA-N	509.902	4.394	5	1	KIBF	
COc1c(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12	29123521	LVYBGAZDRQRBAF-UHFFFAOYSA-N	571.949	4.228	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@@H](CO)C3(c4ccc(O)cc4)CCCCC3)O[C@@H]12	2356773985	NZSIVOFSFFDODY-UMDYTMBUSA-N	697.781	4.447	5	1	KIBF	
COC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1ccccc1F	587620221	SGKHZYKWNBHNGV-UHFFFAOYSA-N	513.503	4.407	5	1	KIBF	
COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c6c(c7c([C@H](C)O)c([C@H](C)O)c1c(c23)c7c54)OCO6	2356553625	IPHVFOFIADOHOD-UWVGGRQHSA-N	544.512	4.053	5	1	KIBF	
COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC	4053618	IWGMMOBHDZLXKI-BDYUSTAISA-N	535.553	4.080	5	1	KIBF	
Cc1ccc([C@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1	587299428	WDGCSXGKEZDRDV-FXTNBMQPSA-N	879.784	4.026	5	1	KIBF	
CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)cc2)c1)C1CCC1	66124009	BAHPVAWKUCFMPV-DEOSSOPVSA-N	633.727	4.440	5	3	KIBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N@@+](C)(Cc3ccc(F)cc3)C2)cc1	253670984	DZIWUHCUDURPKK-GBFIQKBPSA-O	577.677	4.366	5	1	KIBF	
[O-][N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CCN6CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@H]64)C2	255233458	MFYUSCFKSDCLMG-VNLLGIPMSA-N	600.763	4.279	5	1	KIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc([N+](=O)[O-])c12	587750190	HDWCRZBBBSIYMW-VKTRGTBVSA-N	526.318	4.147	5	1	KIBF	
COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(C(=O)O[C@@H](C)Cn4c([N+](=O)[O-])cnc4C)cc3)C2)cc1	653791429	XRWHSRBIHREGDO-UPCLLVRISA-N	505.531	4.051	5	1	KIBF	
COc1ccc2c3c([nH]c2c1)[C@]1(CC[C@]2(Cc4c(O)c(OC)cc5c4[C@H]2[N+](C)([O-])CC5)C[C@H]1OC)NCC3	238742809	LMQXJBDHPDRJCE-UDVHVITQSA-N	519.642	4.215	5	1	KIBF	
Cc1nc(N2CCCCC2)sc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587317703	MCBFIXURDWGNPO-TXPIPJDGSA-N	782.224	4.157	5	1	KIBF	
CC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc([N+](=O)[O-])cc4)c3c(=O)n12	1772572331	UWAUWBRWRNCNBI-UHFFFAOYSA-N	616.015	4.174	5	1	KIBF	
Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C(=O)O)c8c1c2c(c34)c(c65)c78	5812869	UOHUELUXECWLFT-UHFFFAOYSA-N	534.432	4.471	5	1	KIBF	biogenic
CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621607	WVHSZXJRLCFOSE-UHFFFAOYSA-N	548.574	4.087	5	1	KIBF	
CCc1ccc2c(-c3cccnc3O)c(C(=O)NS(=O)(=O)C3CC3)n(Cc3cc([N+](=O)[O-])ccc3F)c2c1	1911578984	CXTJICRYUZVYPO-UHFFFAOYSA-N	538.557	4.289	5	1	KIBF	
C=Cc1c(C)c2cc3[nH]c(c4c(=O)oc(=O)c5c=4nc(cc4[nH]c(cc1[nH]2)c(C)c4CC)C=5C)=C(CCC(=O)OC)[C@H]3C	2356321804	WXJRUCUXNYSGGI-QGZVFWFLSA-N	578.669	4.235	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@H]1CCCCO1	26493699	RODAYEWQVPDDPA-VNGAGHNVSA-N	625.656	4.170	5	1	KIBF	
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1	42851585	NXGNXTJVCQAXEF-VWLOTQADSA-O	544.739	4.108	5	1	KIBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccc(Br)c2[nH]1	587264898	PSVVQJYKRMKXKB-WPPNPWJKSA-N	515.118	4.438	5	1	KIBF	
CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)ccc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C	29231214	XJYPHZFNXOQNDC-HSZRJFAPSA-N	655.728	4.475	5	1	KIBF	
O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O	103288406	FCPIDBCLLGHWGS-UHFFFAOYSA-N	594.005	4.157	5	1	KIBF	
CCOC(=O)[C@@H]1CSCN1C(=O)[C@@H]1[C@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@@+]2(C)Cc1ccccc1	253643965	DGXPJTBCIKJVEC-SIBQYUPMSA-N	501.072	4.091	5	1	KIBF	
CCOC(=O)[C@H](N)CCCCn1c(=O)c2c(C)c3cc4[nH]c(cc5[nH]c(cc6nc(c(c-2n3)c1=O)[C@@H](CCC(=O)OC)[C@@H]6C)c(C)c5C=O)[C@](C)(O)[C@@]4(O)CC	253687736	MGHRSIDVLFFBBI-FDHXNKRSSA-N	770.884	4.215	5	1	KIBF	
Nc1nc(N)nc([C@@]2(Cc3ccccc3)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)n1	963237171	NTQOQWYGWXEFPN-OSPAZUARSA-N	704.656	4.305	5	1	KIBF	
COc1ccccc1NC(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621291	RZEIKRRIDGKNNJ-UHFFFAOYSA-N	510.528	4.455	5	1	KIBF	
O=C(O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1	962714669	VJGLAUOGLBRODK-NFBKMPQASA-N	504.392	4.342	5	1	KIBF	
COc1ccc([C@H](N2CCOCC2)N2[C@H](c3ccccc3)C[C@@H](O)N2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	1772585093	XGXXDHXLVWTTJQ-WYMJOSIYSA-N	535.557	4.029	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	4208247	GETAYCZBYDAERW-VZPUWSDOSA-N	558.975	4.194	5	1	KIBF	
COc1ccc(-c2nnc(-c3ccc4nc(CNS(=O)(=O)c5ccc(SC)c([N+](=O)[O-])c5)[nH]c4c3)o2)cc1	586940795	GHZMRFSCJKYZOW-UHFFFAOYSA-N	552.594	4.397	5	1	KIBF	
CCC(=O)O[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c4nc5ccccc5nc4c2)[C@H]2C(=O)OC[C@H]12)OCO3	103284331	PTOYQFGGBXYCIN-YDNQXUAWSA-N	512.518	4.449	5	1	KIBF	
CCOC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)N(C)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169305036	WCYQJOVQMKACRB-NLJWQWLVSA-N	602.021	4.482	5	1	KIBF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@H](C)O)cc1	586939753	WQCNWRSESNOWNN-PEGYKEAPSA-N	615.620	4.254	5	1	KIBF	
CCOC(=O)C1=C(C)NC(=O)N(CCc2nnc(Nc3ccccc3)s2)[C@H]1c1cccc([N+](=O)[O-])c1	1772580459	JCPUIMRWUPQSRO-NRFANRHFSA-N	508.560	4.336	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	73240863	LKQKUGXJPJQUPL-AGVOOJLBSA-N	561.591	4.496	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)CCn3cc(Cl)c([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1	587664935	IJHQEHYUACXTBG-UHFFFAOYSA-N	510.938	4.104	5	1	KIBF	
COc1cc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)ccc1OCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1	98083465	PDYHOMAQWRSKFR-SANMLTNESA-N	571.550	4.428	5	1	KIBF	
CCOC(=O)CCCC[C@@]1(c2ccc(OC)c([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963231392	MIFLROKNWCZRAA-CUNXSJBXSA-N	507.543	4.118	5	1	KIBF	
CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	4052437	YAWKNMOYCGNQRW-AHKZPQOWSA-N	519.554	4.461	5	1	KIBF	
CC[C@@H](C)[C@H](NC(=O)CCCCCCCCCCCCCCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O	95606655	ARFBLXMRIAVUIU-LETPJJKESA-N	852.043	4.272	5	1	KIBF	
CC[C@@]1(O)C[C@H]2C[C@](C(=O)OC)(c3cc(OC)cc4c3[C@@]35CCN6CC=C[C@@](CC)([C@H](OC(C)=O)[C@](O)(C(=O)OC)[C@@H]3N4C)[C@H]65)c3[nH]c4ccccc4c3CC[N@+]([O-])(C2)C1	299807834	VUJJODOHYGFANA-UNLYWLMRSA-N	826.988	4.004	5	1	KIBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1	587266122	IYUYWZPRTUHOCS-GTJPDFRWSA-N	546.949	4.368	5	1	KIBF	
CC(C)=CC[C@@H]1Cc2c(OCCCNC(=O)c3ccc([N+](=O)[O-])cc3)cc(=O)n(CCCO)c2CC1(C)C	1857572726	ZIEALTFDYNXTPH-JOCHJYFZSA-N	525.646	4.435	5	1	KIBF	
CC(=O)Oc1ccc2c(oc(=O)c3ccc(-c4cc5ccc(=O)oc5cc4O)c(O)c32)c1OC[C@H](C)[C@H](C)O	2356565389	BFHZUBZROAWZCN-KBPBESRZSA-N	532.501	4.452	5	1	KIBF	
O=C(O)CCCc1cc2c(-c3cccc(C(=O)O)c3C(=O)O)c3cc(CCCC(=O)O)c(=O)cc-3oc2cc1O	26830638	SZLLZTDQUNACQS-UHFFFAOYSA-N	548.500	4.481	5	1	KIBF	
Cc1cc2c(cc1S(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cc3)CC1)N(CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CO2	299864917	SDSYCNNGMLFDRP-UHFFFAOYSA-N	618.590	4.041	5	1	KIBF	
COc1ccc2c3c1O[C@@H]1[C@]34CC[N@@+](C)(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(N)=O)cc1)C2	1772639633	TYWAMSHOGMWKMF-GMSFUUARSA-O	559.727	4.380	5	1	KIBF	
COc1ccc2c(=O)c3c(O)cc(OC)c([C@@H]4c5c(ccc6ccc(=O)oc56)O[C@H]4C(C)(C)O)c3n(C)c2c1OC	86041876	XRRKNHPPSZSNHE-AYWVHJORSA-N	559.571	4.193	5	1	KIBF	endogenous,in-man
COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC	104326493	NEYOQUBGVHUOAJ-UHFFFAOYSA-N	593.589	4.260	5	1	KIBF	
CN(C)CCOC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104964924	QDZHNNNAYZDIAH-JOCHJYFZSA-N	583.667	4.018	5	1	KIBF	
O=C(O)Cn1cc(I)c(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)n1	587184486	AANJLBHGDAVBQI-UHFFFAOYSA-N	622.331	4.398	5	1	KIBF	
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3[N+](=O)[O-])CC2)c1	28460913	QQNJHHMVUURWQD-SVNRFNMRSA-N	606.680	4.396	5	1	KIBF	
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)Nc1ccccc1[N+](=O)[O-]	169715635	YEVSUPHBPJRSDX-RSXGOPAZSA-N	545.665	4.142	5	1	KIBF	
Cc1onc(-c2nc3cc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080623	XCKOOIQYMOBUMW-UHFFFAOYSA-N	604.071	4.375	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	772363	CLIZDUJGVQAELN-AOYPEHQESA-N	553.955	4.445	5	1	KIBF	
COc1cc2nc(N3CCCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCN3CCCC3=O)c2cc1OC	105125318	JEEVUZQBILMLPQ-UHFFFAOYSA-N	619.723	4.041	5	1	KIBF	
COC(=O)c1c(-c2cncc(Br)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587617610	GPXJNCPZBJVPTC-UHFFFAOYSA-N	561.370	4.497	5	1	KIBF	
COc1cc([C@H]2Oc3c(OC)cc4c(=O)c5c(OC)cccc5oc4c3O[C@H]2COC(C)=O)ccc1O	40872446	JGUCFADCNWOGOA-XUZZJYLKSA-N	508.479	4.122	5	1	KIBF	biogenic
CCOCCN(CCOCC)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1	82148871	OWFQURWWLMLBJL-UHFFFAOYSA-N	525.581	4.361	5	1	KIBF	
COc1ccc(-c2nnnn2CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	84723163	QIPFUZXIFKLCIG-QHCPKHFHSA-N	517.933	4.288	5	1	KIBF	
O=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(C(=S)Nc4ccnc5cc(Cl)ccc45)CC3)n2)cc1	98082914	KNAOADULTXHJEI-UHFFFAOYSA-N	607.100	4.081	5	1	KIBF	
COCCN1C(=O)O[C@@]2(C[C@H]3O[C@]2(C)n2c4ccccc4c4c5c(c6c7ccccc7n3c6c42)C(=O)NC5)C1=O	1857626426	SHWPFRVVBIKGAT-LYWBODIJSA-N	536.544	4.115	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@@H]1CCCO1	26485339	IDFXIZNORARVGR-NIKJNYCLSA-N	625.656	4.170	5	1	KIBF	
CCOC(=O)CC[C@H](NC(=O)[C@@H]1[C@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@@+]2(C)Cc1ccccc1)C(=O)OCC	253644078	FDJLDJYHLRLUTJ-ZVNFURMGSA-O	543.084	4.017	5	1	KIBF	
O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCc1ccccc1	587204396	XTFXCJKRVJKYFE-HXUWFJFHSA-N	519.470	4.480	5	1	KIBF	
COC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1NC(=O)OCc1ccccc1	587620869	IAXFYGQMJOJYJM-UHFFFAOYSA-N	568.564	4.350	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	769154	RGWMAGLAPYUJPF-UPVQGACJSA-N	510.934	4.256	5	1	KIBF	
O=[N+]([O-])c1ccc(OCc2nc3cc(Br)ccc3n2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	96914518	DNZXUIGEHXYHGI-UHFFFAOYSA-N	533.316	4.431	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3)c(C(=O)C(F)(F)F)c2c1	587620738	ZOWABZDVRHRKFS-UHFFFAOYSA-N	523.449	4.031	5	1	KIBF	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O	587650934	XPFUDSCIDOOJPT-BJKOFHAPSA-N	504.520	4.338	5	1	KIBF	
COc1cc([C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc([N+](=O)[O-])c1I	963136546	GDBIWEIMTGUENY-WFASDCNBSA-N	561.354	4.000	5	1	KIBF	
Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc2cc3ccccc3cc2c(=O)n1-c1ccc(S(N)(=O)=O)cc1	1857633695	ZTFFXLXQXKDDFE-UHFFFAOYSA-N	575.628	4.134	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1c2ccccc2C[C@@H]1O	27518344	AOLQBHBDLWMQMX-QALZTRBASA-N	589.689	4.415	5	1	KIBF	
C[N+]1(Cc2ccccc2)CCN(C(=O)CCCCCCC(=O)N2CC[N+](C)(Cc3ccccc3)CC2)CC1	40496745	YUQSQGSIUVBAET-UHFFFAOYSA-N	520.762	4.305	5	1	KIBF	
CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169306078	BBJRXDZOCBYFCX-VRUIKYSZSA-N	587.994	4.140	5	1	KIBF	
COc1cc([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	963150129	QIMCRNSSVBYFLD-GHTZIAJQSA-N	591.620	4.163	5	1	KIBF	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N1	103167340	KBZTVVOTLXKMFY-DLBLZJNESA-N	530.993	4.436	5	1	KIBF	
O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)N1C(=O)c1ccc(Cl)cc1	963016631	MFRYSCVTGCDJCF-IBVKSMDESA-N	534.887	4.216	5	1	KIBF	
CC(=O)Oc1ccc2c(oc(=O)c3ccc(-c4cc5ccc(=O)oc5cc4O)c(O)c32)c1OC[C@@H](C)[C@@H](C)O	2356565391	BFHZUBZROAWZCN-ZIAGYGMSSA-N	532.501	4.452	5	1	KIBF	
CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)CC1	82195899	WUZBCKDEKSHVHO-SFHVURJKSA-N	508.000	4.078	5	1	KIBF	
CCOC(=O)[C@@]1(CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21	587747471	QTKIDLVQNVEJRT-YTEVENLXSA-N	509.328	4.076	5	1	KIBF	
CC(=O)O[C@@H]1C[C@H](O)[C@@H](C)O[C@H]1[C@@]1(C)C(=O)c2cc3[nH]c(cc4nc(cc5cc(C)c(cc1n2)[nH]5)C(=O)[C@@]4(C)[C@H]1O[C@@H](C)[C@@H](O)C[C@H]1OC(C)=O)cc3C	257534456	RQOFTLFCRJDAJR-RZJIBQEGSA-N	742.826	4.153	5	3	KIBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	42989050	YYEWXNWXUYYCSF-HHYJITEFSA-O	587.697	4.169	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CC(F)(F)F	587619962	MSXWTHQJMIIKSP-UHFFFAOYSA-N	587.529	4.200	5	1	KIBF	
CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620523	DZQJUVBNRZLQLY-UHFFFAOYSA-N	612.617	4.420	5	1	KIBF	
COc1ccc(Cc2nc(SCCOc3ccc([N+](=O)[O-])cc3)nc(O)c2I)cc1OC	653708697	UMYOMXRBBGAMJZ-UHFFFAOYSA-N	569.377	4.474	5	1	KIBF	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1	4051898	YTFQPAPVCDUTKK-XJABCFGWSA-N	514.966	4.466	5	1	KIBF	
CCOC(=O)CC[C@@H](NC(=O)[C@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1)C(=O)OCC	100046361	FDJLDJYHLRLUTJ-LCQQDAIXSA-O	543.084	4.017	5	1	KIBF	
COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587786047	BORVWIPRSJWMOB-UHFFFAOYSA-N	510.415	4.353	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1	4154180	BEIZWMPZQOLNCU-IAPPQJPRSA-N	563.563	4.190	5	1	KIBF	
C[C@@H]1CCCCN1CCCNc1ccc([C@H](CC(N)=O)NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-]	263591765	KKYDNQNLCCULFV-JPYJTQIMSA-N	516.042	4.200	5	3	KIBF	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](C[N+](=O)[O-])(C2CC2)N1C(=O)OCC1c2ccccc2-c2ccccc21	963218357	RRHCXVFKENUKBZ-IADCTJSHSA-N	604.528	4.351	5	1	KIBF	
CN(C)CCn1c(=O)c2ccc(NCCCCCCCCNc3ccc4c(=O)n(CCN(C)C)c(=O)n5c6ccccc6c(=O)c3c45)c3c(=O)c4ccccc4n(c1=O)c23	150540925	OKPPWGPELWCMTM-UHFFFAOYSA-N	810.956	4.432	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)C	26493778	IMIHEHDOLNQKTK-CHTIKVTKSA-N	583.619	4.400	5	1	KIBF	
COc1ccc(CCN(C)c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC	105176308	AVJFJPMTADCMLO-UHFFFAOYSA-N	571.590	4.407	5	1	KIBF	
CC1=NC(C)=C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(N)=O	169715683	XPOSJBPBIXCKQH-BDYUSTAISA-N	531.657	4.088	5	1	KIBF	
CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCN(CC[N@+]2(C(=O)CN)CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(O)nc2C4)CC1	299806147	LJLLQFBLLBGTOU-IFHLRJAOSA-O	708.972	4.065	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cn(C)nc3C)c2c1	587620694	YSOVUYSYUATLEL-UHFFFAOYSA-N	537.476	4.177	5	1	KIBF	
O=C(CCN1CCCCC1)Nc1ccc2[nH]c3ccc(NC(=O)CCN4CCCCC4)cc3c(=O)c2c1	28395612	IDUUHJZJFNJEON-UHFFFAOYSA-N	503.647	4.310	5	1	KIBF	
C[C@@H]1C[C@]2(C[C@H](C(=O)O)[C@H]1C(=O)O)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963224889	MXPHBXSKRXCASZ-WISQYPIRSA-N	675.603	4.496	5	1	KIBF	
COc1ccc2c(c1)oc(=O)c1ccc(O[C@H]3c4cc(OC)c(OC)cc4O[C@H]3COC(C)=O)c(OC)c12	2356418007	UKZAFTFBOXNLCB-AHWVRZQESA-N	522.506	4.425	5	1	KIBF	
CC(C)C[C@H](NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(=O)O	40863947	HXWAYWCIKBWVCS-SFHVURJKSA-N	510.550	4.270	5	1	KIBF	
COc1cc(OC(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])cc1OC	40913421	GMBMPIVCTQFRLC-UHFFFAOYSA-N	512.346	4.446	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1	587667892	UIWXCXZQAIDOKU-INIZCTEOSA-N	504.547	4.005	5	1	KIBF	
CN(CCCCCCN(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	29486704	JSGZMSIWSMQIMZ-UHFFFAOYSA-N	583.472	4.311	5	1	KIBF	
COc1cccc2c(O)c3c(N(Cc4ccccn4)Cc4ccccn4)ccc(C(=O)NCCN(C)C)c3nc12	299869402	UQTXHBZYCHGAFT-UHFFFAOYSA-N	536.636	4.390	5	1	KIBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4c5cccnc5c5ncccc5c4[nH]3)cccc12	586937450	QLLRRMKORGKZKG-QFIPXVFZSA-N	581.706	4.161	5	1	KIBF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](Cn2cnc3c(nnc4ccccc43)c2=O)(c2ccc(Cl)cc2)N1	962973338	KGVSULCEJSSGAR-HRFSGMKKSA-N	568.367	4.467	5	1	KIBF	
COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	772613	JOBZHZNBSPUNOU-ISKFKSNPSA-N	509.902	4.394	5	1	KIBF	
COc1c(NC(=O)C(=O)c2ccc(OCC[N+](C)(C)C)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O	653719558	NIACFYGCBYZJHU-UHFFFAOYSA-O	556.705	4.424	5	1	KIBF	
COc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc4c(c3)oc(=O)c3ccccc34)cc2)nc(OC)n1	1772629563	FRGMHFTUOCPBOQ-UHFFFAOYSA-N	563.617	4.363	5	1	KIBF	
O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OC1CCCC1)N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)OC1CCCC1	95542962	MBRAYYFITGBRDK-SXOMAYOGSA-N	743.792	4.243	5	1	KIBF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c2)cc1	586952952	KWHLJQMXSXKWMU-MDZDMXLPSA-N	592.634	4.077	5	1	KIBF	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	28971002	SHBPNAQMFSSEMQ-FATVKVNYSA-N	561.547	4.257	5	1	KIBF	
CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1	587118849	RHLAYIFWCLKVGD-UHFFFAOYSA-N	522.509	4.432	5	1	KIBF	
CCNc1nc(NCCCCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12	82118576	CFZFGOPKTJJWEF-UHFFFAOYSA-N	510.595	4.318	5	1	KIBF	
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CCNCc1ccc([N+](=O)[O-])cc1	82182083	CQDFDYIAENVHDT-SDDWGXRISA-N	654.812	4.233	5	1	KIBF	
CCC1=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C(COCCN)=N1	169716185	PQYKLGRHXIJMQB-HEVIKAOCSA-N	666.823	4.462	5	1	KIBF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(COc5cc(F)ccc5[N+](=O)[O-])[nH]c4c3)cc2)CC1	587158742	HDDAFBQSNYRFPZ-UHFFFAOYSA-N	518.549	4.189	5	1	KIBF	
CO[C@H](C)C[C@@]1([C@H](C)O)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963226664	OZBHCGJLZBXFTF-ORVAWCHESA-N	621.599	4.470	5	1	KIBF	
COC(=O)c1cc(C[C@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1	49777707	XCUHKPSXGQGWCF-APVDNHQMSA-N	620.747	4.434	5	1	KIBF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2N)C1	586955608	PYLOGLVUPHRUNO-UHFFFAOYSA-N	596.621	4.412	5	1	KIBF	
O=C(CCC(CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[N+](=O)[O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	1857556940	WIZHFYBXZGEZJS-QGBCWPEESA-N	835.871	4.223	5	1	KIBF	
COc1ccc(CCNc2ccc([C@H](CC(N)=O)NC(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])cc1	17577166	DYNKWWYXPRMXOF-QFIPXVFZSA-N	541.402	4.367	5	3	KIBF	
c1ccc(N2CCN(Cc3ccc4nc5ccc(CN6CCN(c7ccccn7)CC6)cc5nc4c3)CC2)nc1	32038182	UYXCIYSTHJWBQM-UHFFFAOYSA-N	530.680	4.217	5	1	KIBF	
Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	586945386	DWLZWFPQCNLGRT-UHFFFAOYSA-N	559.556	4.463	5	1	KIBF	
CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620591	DXPNMNJGLHCPDT-UHFFFAOYSA-N	538.538	4.054	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4056073	IPALNKYESXWGOB-YJGRUCBDSA-N	575.018	4.483	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(OCC[N+]2(O)CCOCC2)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	96126879	VHGKRXYOWQSVDY-AIIVFDHXSA-O	690.858	4.122	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	253676348	DNYKWQSMQQBJDU-HFOXQMJASA-N	587.994	4.140	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	261132270	LKQKUGXJPJQUPL-WYDAKKJLSA-N	561.591	4.496	5	1	KIBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](n1cnc2c(NCc3ccccc3)ncnc21)C(Cl)(Cl)Cl	1857556341	INJSGQFFLPYXAY-IBGZPJMESA-N	568.809	4.147	5	1	KIBF	
CC(=O)[C@]1(O)Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)O2)C1	26292939	MPXCAHIOXDLGIB-CJVFJQJESA-N	714.602	4.292	5	1	KIBF	
O=C1NCc2c1c1c3cc(/C=C/Cn4ccnc4)ccc3n3c1c1c2c2cc(CO)ccc2n1C[C@H](CO)C3	28819629	FMUKNNVZPSKGJO-ZGTHZTNPSA-N	517.589	4.170	5	1	KIBF	
O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12	587275963	IAFAXFPMPKMSPH-UHFFFAOYSA-N	501.337	4.344	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1	27639529	ZOADGLVIUQUIIN-KRMIOCCOSA-N	563.655	4.180	5	1	KIBF	
COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1O	49756710	BSZWAEKKKVKXHX-WZFJQBBKSA-N	676.543	4.044	5	1	KIBF	
Cc1cccc2c1[C@](C[N+](=O)[O-])(c1ncn(Cc3ccccc3)c1[N+](=O)[O-])N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2	963904792	SMRNJKURAGFGKC-LYZGTLIUSA-N	565.583	4.305	5	1	KIBF	
CN(C(=O)c1cccc(NC(=O)Cc2cccc(NC(=O)C3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)c2)c1)C1CC1	95598894	RMBXKZUYRDEXAX-UHFFFAOYSA-N	619.700	4.050	5	3	KIBF	
COc1ccc(CCN(C)CCCN2CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)CC2)cc1OC	26492780	CVLFGJWCDUJYLY-UHFFFAOYSA-N	542.680	4.021	5	1	KIBF	
COc1ccccc1-n1c([C@H](C)N2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H](C)C2)nc2ccccc2c1=O	49766867	DEMUODXSBPGFCP-MOPGFXCFSA-N	572.578	4.118	5	1	KIBF	
CCCCOCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82075423	LWXYXOYBCDUYGN-NRFANRHFSA-N	510.616	4.382	5	1	KIBF	
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2	103257800	JWJKODGHEVOCDS-UHFFFAOYSA-N	505.965	4.313	5	1	KIBF	
CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CC(=O)C(=O)OC)c1ccccc1[N+](=O)[O-]	962987751	NFNVBNSKJKNNHO-PMERELPUSA-N	595.004	4.299	5	1	KIBF	
Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Br)n2)ccc1[N+](=O)[O-]	1772631676	DIUKVMBTQORMGR-UHFFFAOYSA-N	530.774	4.359	5	1	KIBF	
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(-c4nc5scc(-c6ccc([N+](=O)[O-])cc6)n5n4)cn1c23	1911585755	PDUUKCPTVOPMIQ-HNNXBMFYSA-N	561.599	4.192	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1	4154183	JGFLMZZKJSYOEY-XRKRLSELSA-N	579.606	4.479	5	1	KIBF	
COc1cc2c3ccccc3[n+](C)c3c4ccc(/C=C/C(=O)N5CCN(C(C)=O)CC5)cc4n(C)c(c1)c23	28638358	AFKMPLOFCAJZQW-ZRDIBKRKSA-N	507.614	4.175	5	1	KIBF	
O=C(O)CN(CC(=O)O)c1ccc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)cc1OCCOc1c(N(CC(=O)O)CC(=O)O)ccc(F)c1F	87515555	RWUGLXXRIOWFGX-UHFFFAOYSA-N	758.586	4.236	5	1	KIBF	in-vitro
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(CC[N+](C)(C)C)Cc2ccccc2)cc1	95560593	OAEFSBJQWFGYCK-LJAQVGFWSA-O	561.703	4.425	5	1	KIBF	
CCOC(=O)C(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C	963862527	BCVZGIXKBZQNFV-LYZGTLIUSA-N	540.569	4.306	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1	4204523	DSMWOKUTEQOUAX-IXCJQBJRSA-N	563.563	4.190	5	1	KIBF	
COc1ccc([N+](=O)[O-])cc1N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@H]12)OCO3	26396007	QBQVDNMHYWDBJT-JHOAZWNMSA-N	550.520	4.143	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	73240858	LKQKUGXJPJQUPL-CRKZPIATSA-N	561.591	4.496	5	1	KIBF	
CS(=O)(=O)c1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl	586927071	SKTKOMJDNRTUFE-UHFFFAOYSA-N	510.551	4.115	5	1	KIBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21	587746133	LMBZHIANQVCYAL-DOJGBSFOSA-N	539.398	4.205	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3C)c(C(=O)C(F)(F)F)c2c1	587618761	UGEBELJEKCWLCV-UHFFFAOYSA-N	537.476	4.339	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12c1ccccc1C(=O)c1c([N+](=O)[O-])cccc12	963137868	GWVVZHRTVONQDK-AVRWGWEMSA-N	507.524	4.134	5	1	KIBF	
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34	26404719	PLIFLJSMVGDAFW-JVAKCPTJSA-N	683.743	4.436	5	1	KIBF	
O=C1c2c([N+](=O)[O-])ccc(O)c2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(O)ccc([N+](=O)[O-])c21	587577283	RVBYBVPGEXUDLC-QHCPKHFHSA-N	542.412	4.070	5	1	KIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1	587867846	COODLFZKWZYLDJ-UHFFFAOYSA-N	500.437	4.431	5	1	KIBF	
CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)Oc3ccccc3)(c3ccccc3)CC2)=C(C)N1	27564296	RZIZBETWVGIROJ-YTTGMZPUSA-N	637.737	4.461	5	1	KIBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccc(C(F)(F)P(=O)(O)O)cc1	28528884	QUCQYWKXRBMJNM-UHFFFAOYSA-N	512.427	4.213	5	1	KIBF	
COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c6c([C@@H](C)O)c([C@@H](C)O)c1c(c23)c6c54	238777666	ITORYMVXAXDEDN-NXEZZACHSA-N	546.528	4.039	5	1	KIBF	
Cc1c(Cl)nc(N[C@@H](NC(=O)OCCn2c([N+](=O)[O-])cnc2C)C(Cl)(Cl)Cl)nc1Cl	1857556311	DBJLURAPCHTGKM-NSHDSACASA-N	521.576	4.040	5	1	KIBF	
CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	96937438	HVAZDLGGLVHMFV-XYDQKOHOSA-N	675.783	4.377	5	1	KIBF	
O=C1c2cccc([N+](=O)[O-])c2C2(N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c2c1cccc2[N+](=O)[O-]	962705002	IXPRYWAPWWNERL-INIZCTEOSA-N	531.374	4.096	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1N	771646	NWTXIQIPPDJWAN-AHWVRZQESA-N	520.542	4.001	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1N	4080086	NWTXIQIPPDJWAN-RSXGOPAZSA-N	520.542	4.001	5	1	KIBF	
O=[N+]([O-])c1ccc2c(c1)C[C@@H](NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2	27763714	MQXWKDIFOXIPIR-SANMLTNESA-N	536.698	4.276	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1	29210055	RXFTYUBJWFLBQV-RXDXAXPSSA-N	575.622	4.366	5	1	KIBF	
COC(=O)[C@]12O[C@](C(=O)OC)([C@H]3[C@@H]1[C@H]1C[C@H]3[C@@H]3C(=O)N(CCNC(=O)c4cccc5cc6ccccc6nc45)C(=O)[C@H]31)[C@H]1[C@@H]2[C@H]2C[C@H]1[C@H]1C(=O)N(CCNC(=O)c3cccc4cc5ccccc5nc34)C(=O)[C@@H]21	253854856	TVFOSBXCWLIICB-AXECRRRCSA-N	981.031	4.083	5	1	KIBF	
CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1	586930663	OMLVJUVMNRDYEA-UHFFFAOYSA-N	502.553	4.067	5	1	KIBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	769146	CWMXTKLENRXOAG-AOYPEHQESA-N	553.955	4.445	5	1	KIBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	769155	RGWMAGLAPYUJPF-LADGPHEKSA-N	510.934	4.256	5	1	KIBF	
CN(CCO)[N+](=O)NOc1cc(NCC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC=C3[C@@H]5CC(C)(C)CC[C@]5(C(=O)O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]34C)C2(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]	377845947	FLHYOIPBNTXFEC-VCILBJDJSA-N	976.111	4.388	5	1	KIBF	
O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	73162379	LLOXNKGYLXHSCC-VWLOTQADSA-N	507.562	4.111	5	1	KIBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	103244263	KNGASHLCZFRTGN-LZWSPWQCSA-N	501.499	4.117	5	1	KIBF	
CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1	653760642	KZCYDADJRNBKKT-SANMLTNESA-N	533.552	4.323	5	1	KIBF	
C[C@H]1CCCCN1CCCNc1ccc([C@@H](CC(N)=O)NC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-]	38146278	JBZYAXXCWAXGSS-FDDCHVKYSA-N	560.493	4.309	5	3	KIBF	
CCCCNC(=O)[C@H](C)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C	72136961	CZRRTGLKHDETEW-FKAPRUDGSA-N	650.777	4.154	5	3	KIBF	
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1	95550024	XQXPVKTVGKWGQB-PMERELPUSA-N	778.824	4.440	5	1	KIBF	
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCC[N+]1([O-])CCOCC1)C(C)C	95610608	RCEBURKPGKGOHV-HECCNADXSA-N	788.084	4.297	5	1	KIBF	
COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)OC[C@@H]1[C@H]2OC(=O)c1cccc([N+](=O)[O-])c1	103197667	BPGSCNOHCGMLIM-JYIOINSGSA-N	579.558	4.471	5	1	KIBF	
O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1	104954859	QMPIGCHWUKWCDF-NRFANRHFSA-N	533.654	4.351	5	1	KIBF	
COc1cc2nc(N3CC[C@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc(NCc3ccccc3)c2cc1OC	105133374	JDIKMXLEKOLDDU-FQEVSTJZSA-N	542.596	4.484	5	1	KIBF	
Cc1ccc(N2C=Nc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1	1772633430	YYXGQFJGSXOHDC-HHHXNRCGSA-N	547.575	4.423	5	1	KIBF	
COc1ccc(CNc2nc(N3CCN(CCNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc3cc(OC)c(OC)cc23)cc1OC	164016173	FNLQVVCTRGHUMH-UHFFFAOYSA-N	645.717	4.045	5	1	KIBF	
COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1	767378	JYQPEBLUSUKMBQ-VPUSJEBWSA-N	535.553	4.080	5	1	KIBF	
CCOC(=O)/C=C/[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	14947927	XAYRYKDJTCRRDA-FGOHTXDJSA-N	541.604	4.182	5	1	KIBF	
CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c2c(=O)c3ccccc3[nH]c12	49615866	XTFKWUVTEZMQOQ-UHFFFAOYSA-N	677.762	4.454	5	1	KIBF	
CCOC(=O)[C@H](N)CCCCn1c(=O)c2c(C)c3cc4[nH]c(cc5[nH]c(cc6nc(c(c-2n3)c1=O)[C@@H](CCC(=O)OC)[C@@H]6C)c(C)c5C=O)[C@@](C)(O)[C@]4(O)CC	253687777	MGHRSIDVLFFBBI-SMZUMGCUSA-N	770.884	4.215	5	1	KIBF	
CCCCNS(=O)(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587053757	GRCVLKNVWQABTC-FQEVSTJZSA-N	508.000	4.330	5	1	KIBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1	587266144	IYUYWZPRTUHOCS-XUSGNXJCSA-N	546.949	4.368	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)Cl)c(C(=O)c3cn(C)nc3C)c2c1	587618040	MUERAQJCLKHBPJ-UHFFFAOYSA-N	553.931	4.447	5	1	KIBF	
COc1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c([N+](=O)[O-])cc1OC(F)F	962930686	WLGJCUBXEOCWMC-AVRDEDQJSA-N	502.426	4.391	5	1	KIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc([N+](=O)[O-])c12	587750163	GYOQDCJZERCICY-JUZXBQNTSA-N	526.318	4.147	5	1	KIBF	
CCOC(=O)C(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C	963862528	BCVZGIXKBZQNFV-PIKZIKFNSA-N	540.569	4.306	5	1	KIBF	
O=C(CCc1ccc2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc3c(=O)c2c1)NCc1ccccn1	64744230	PCKOOTOQVCFRHS-UHFFFAOYSA-N	518.621	4.180	5	1	KIBF	in-vitro
COc1cc2nc(N3CCN(CCNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCc3ccco3)c2cc1OC	105127729	KEUVHVVYZOQOCI-UHFFFAOYSA-N	603.680	4.021	5	1	KIBF	
O=C(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	1857762447	CTKAEHKORAHSPX-UHFFFAOYSA-N	590.481	4.011	5	1	KIBF	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=N1	103187847	UZZUBSRQNGQULP-FCKOQQNDSA-N	530.993	4.436	5	1	KIBF	
CCN(CC)CCCNc1nc(N2CC[C@H](NC(=O)CCCc3ccc([N+](=O)[O-])cc3)C2)nc2cc(OC)c(OC)cc12	105133593	UGCUGVGOPKOOQE-QHCPKHFHSA-N	593.729	4.417	5	1	KIBF	
O=C(NCCCN1CCCC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4055814	HAGVIAMVKLVJRI-RBBKRZOGSA-N	505.358	4.122	5	1	KIBF	
COc1ccccc1N1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2C(=O)NCCCN(C)C)CC1	49917735	OXHJZBKJKOWOLT-LFIBNONCSA-N	586.693	4.263	5	1	KIBF	
O=C(Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1	587646354	PQHBHEBSWBYNGL-UHFFFAOYSA-N	524.381	4.356	5	1	KIBF	
CCN(CC)C(=O)CN1CCC2(CC1)CCN(c1nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s1)CC2	1772612986	HOSKOORSGBZOCC-UHFFFAOYSA-N	541.596	4.134	5	1	KIBF	
COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)N[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	773531	OJEWTRWJPDEQAI-LJQANCHMSA-N	521.501	4.407	5	1	KIBF	
C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)[C@H]2CCCC[C@H]2C1=O)CCCN1C(=O)[C@H]2CCCC[C@H]2C1=O	101194881	DNWIGZVZEVCVLT-FXCIUYFGSA-N	574.851	4.220	5	1	KIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c([N+](=O)[O-])cc(C(=O)O)c(N)c12	587751472	MWSUHZKDUYHKRL-JUZXBQNTSA-N	526.318	4.147	5	1	KIBF	
CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(C)c3cc(C(=O)O)[nH]c3[N+](=O)[O-])nc(Cl)nc21	963928591	NVCCPAQEWCXQQF-HSZRJFAPSA-N	511.926	4.027	5	1	KIBF	
CCOC(=O)CC[C@H](NC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1[N@+]2(C)Cc1ccccc1)C(=O)OCC	253644074	FDJLDJYHLRLUTJ-LMFBTRPXSA-O	543.084	4.017	5	1	KIBF	
COc1cc(OCc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)ccc1[N+](=O)[O-]	587262545	WQUBELZQTVVYCR-UHFFFAOYSA-N	544.612	4.101	5	1	KIBF	
CCOC(=O)C(=O)C[C@@]1(C(C)C)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21	963016489	LAMWSOZEFHNZHP-HVNZXBJASA-N	525.605	4.208	5	1	KIBF	
Fc1nc(-c2c3ccccc3c3sc4ccccc4n23)nc(N2CCOCCOCCOCCOCC2)n1	5733980	YTJOBELHAALESR-UHFFFAOYSA-N	537.617	4.185	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	105819017	HJAZXCVFEYGDKG-JYVYKJRCSA-N	563.515	4.182	5	1	KIBF	
COC(=O)c1ccc(Oc2ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3c2)cc1	587267320	WYGVCEFQMBCOGQ-MCMMXHMISA-N	507.459	4.492	5	1	KIBF	
CCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(C(=O)OCCn4c([N+](=O)[O-])cnc4C)cc3)C2)cc1	653793677	OQCSFFGUVREAKY-DEOSSOPVSA-N	505.531	4.053	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC	4042646	CXPKUAWNNWNFNG-YTMVLYRLSA-N	561.639	4.413	5	1	KIBF	
CCCc1c(OC[C@@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2CCC)ccc(C(C)=O)c1O	169338671	KVYMOGVMKNOTDI-OAHLLOKOSA-N	515.515	4.039	5	1	KIBF	
O=S(=O)(c1cc(Br)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1F)N1CCOCC1	587139054	CZOVCYKXVDURMN-UHFFFAOYSA-N	542.390	4.249	5	1	KIBF	
NC(=O)C1CCN(c2nc3ccccn3c(=O)c2[C@@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)CC1	963230128	WIULJVJFKJJLEB-IUDBTDONSA-N	775.731	4.268	5	1	KIBF	
COC(OC)[C@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](N(Cc2ncc[nH]2)c2ccc(C(F)(F)F)cc2)[C@@H]1O	29400168	YDHPXNAQISFKNA-FUPPJEDESA-N	522.480	4.216	5	1	KIBF	
COc1ncc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)c(OC)n1	64540355	XGOBTUFFIBPRCP-UHFFFAOYSA-N	562.552	4.442	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C[C@@H]2COc3ccccc3O2)[C@@H]1c1ccccc1[N+](=O)[O-]	29211580	YPULZJXQBKVULX-VRXFCTIQSA-N	537.569	4.158	5	1	KIBF	
CN(C)CCNc1cc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(NCCN(C)C)c3c(=O)c4ccccc4[nH]c23)cc2[nH]c3ccccc3c(=O)c12	95546141	YIAKCAQFRPYEOW-UHFFFAOYSA-N	759.956	4.495	5	1	KIBF	
COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCN3CCCC3=O)c2cc1OC	105118927	MMAFJCDNFKJRME-UHFFFAOYSA-N	607.712	4.311	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1	4154181	BEIZWMPZQOLNCU-XTEPFMGCSA-N	563.563	4.190	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Sc4ccc(Br)cc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587315860	TWNZOSMXBGMOTQ-LMWQPGMKSA-N	754.564	4.459	5	1	KIBF	
CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3cnc([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1	587663426	DZMNYHHMGLLMHS-UHFFFAOYSA-N	533.589	4.406	5	1	KIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	43910450	AOLQBHBDLWMQMX-DUGYJJFCSA-N	589.689	4.415	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725868	IWIDWVCTAPKWBY-RZNYTTDSSA-N	543.601	4.357	5	1	KIBF	
CCOC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169303545	DNYKWQSMQQBJDU-TVYALGDOSA-N	587.994	4.140	5	1	KIBF	
COc1cc2c(cc1OC)CN(CCn1cc(CNc3ccccc3C(=O)Nc3ccc([N+](=O)[O-])cc3)nn1)CC2	1857756227	XSIRWOZFFBXOKT-UHFFFAOYSA-N	557.611	4.126	5	1	KIBF	
O=C(CN1C=C[C](Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc(I)c([N+](=O)[O-])c1	2356844067	URRCFLIVHBDUSW-UHFFFAOYSA-N	504.260	4.450	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC(C)C	26482748	PFNMYLCFHQKZMB-NJEMLTPYSA-N	583.619	4.400	5	1	KIBF	
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCNCC3)cc2)cc1[N+](=O)[O-]	84758866	CVFFUCGJYBTGIV-HSZRJFAPSA-N	584.768	4.330	5	1	KIBF	
C1=C2C[N@+]3(C[C@@H]4CO4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2[C@@]23CC[N@@+]4(C[C@H]5CO5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34	299811117	CEGSIWNYKYHGFO-FXAMLAIGSA-N	698.908	4.094	5	1	KIBF	
O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1)OCC1c2ccccc2-c2ccccc21	586953238	RSJXYYGAXVCUDS-SANMLTNESA-N	584.614	4.424	5	1	KIBF	
COC(=O)[C@@]1(Cc2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)CN(C(=O)OC(C)(C)C)CCC1=O	587620859	IJGUIHBLYHUSTG-LJAQVGFWSA-N	630.676	4.106	5	1	KIBF	
CCCS(=O)(=O)N1CCC2(CC1)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963214924	AHXQUZIFJLPQQE-SANMLTNESA-N	680.692	4.500	5	1	KIBF	
CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)Cc1ccccc1[N+](=O)[O-]	1857760973	SAZSHIZWRQABMS-UHFFFAOYSA-N	542.415	4.051	5	1	KIBF	
CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCC(=O)NCCCCCNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@H]43)c2c1	87515646	LVFGMGNFRLRSFM-VOKAMYBESA-O	662.925	4.321	5	1	KIBF	in-vitro
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1	4051900	YTFQPAPVCDUTKK-ZNLUXHQJSA-N	514.966	4.466	5	1	KIBF	
COc1cc2c(cc1OC)[C@@H](c1cc3oc(=O)ccc3cc1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2	963137574	FMPSQUNGGKCYPB-SANMLTNESA-N	501.495	4.089	5	1	KIBF	
Cc1nc(N2CCCCC2)sc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587317709	MCBFIXURDWGNPO-WWVJBSSJSA-N	782.224	4.157	5	1	KIBF	
COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	772615	JOBZHZNBSPUNOU-VWNXMTODSA-N	509.902	4.394	5	1	KIBF	
[O-][N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@+]6([O-])CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2	254134001	RLBPQSFUMJXQQH-QVZQVMLJSA-N	616.762	4.292	5	1	KIBF	
Cc1ccc(Oc2c([C@H]3Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)c3ccccc3n2C)c([N+](=O)[O-])c1	587296707	CBXPGMQLHNXLOO-QGQJCYSDSA-N	726.691	4.138	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	4052269	DDYNYACBMNROTF-BDYUSTAISA-N	535.553	4.080	5	1	KIBF	
C1=C2C[N@@+]3(C[C@H]4CO4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2[C@@]23CC[N@@+]4(C[C@@H]5CO5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34	299811118	CEGSIWNYKYHGFO-SXFDLZHFSA-N	698.908	4.094	5	1	KIBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC	767739	IWGMMOBHDZLXKI-VPUSJEBWSA-N	535.553	4.080	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3c4cccnc4c4ncccc4c3[nH]2)c([N+](=O)[O-])c1	587266890	PZUCZXPKQUBLJH-UHFFFAOYSA-N	605.608	4.197	5	1	KIBF	
O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(S(=O)(=O)N2CCNCC2)cc1	64549188	LPLRXKMTJHBGBG-UHFFFAOYSA-N	547.640	4.348	5	1	KIBF	
COc1ccccc1-n1c([C@@H](C)N2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@@H](C)C2)nc2ccccc2c1=O	169315517	DEMUODXSBPGFCP-RBUKOAKNSA-N	572.578	4.118	5	1	KIBF	
CC/N=c1/cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)NCCCCCCO[C@@H]3O[C@@H]([C@H](O)CO)[C@H](O)[C@H]3O)c-2cc1C	1772581332	FFLMXPVEMUGXOM-SKCGXDJASA-N	675.823	4.281	5	1	KIBF	
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)N(c1cccc([N+](=O)[O-])c1)C=N2	1772656463	CAPYGKGEUWENJC-SANMLTNESA-N	578.545	4.023	5	1	KIBF	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cn(CCO)c4c(cc(Cl)c5ncccc54)c3=O)cc2)cc1	103288404	DPWVNGHUYUVTAC-UHFFFAOYSA-N	579.034	4.257	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(CCN(C)N=O)c2c1	587621218	QNKDFOAVEAINLI-UHFFFAOYSA-N	510.532	4.103	5	1	KIBF	
CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])n[nH]3)c(=O)c3ccccc23)c(O)c1	587663476	HBBWLCHNXBNMAV-UHFFFAOYSA-N	504.547	4.496	5	1	KIBF	
COc1cc([C@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	963150133	QIMCRNSSVBYFLD-RXVVDRJESA-N	591.620	4.163	5	1	KIBF	
Cc1onc(-c2nc3cc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080198	SFULJLRINPCHDN-UHFFFAOYSA-N	590.044	4.332	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)CCn3cc(Cl)c([N+](=O)[O-])n3)c(=O)c3ccccc23)cc1OCC	587669071	QVWJLIZWMZNYIJ-UHFFFAOYSA-N	511.922	4.350	5	1	KIBF	
CNC[C@@H]1C[C@@H]2[C@@H]3C=C[C@H](O)[C@]4(O)O[C@H](C(=O)Oc5c(CO)[nH]c6ccc7cc8ccccc8cc7c56)[C@H](O[C@@H]2[C@]2(CC[C@@H]5CCC[C@@]52c2ccc(O)cc2)[C@@H]1O)[C@@]34O	2356656409	TZIFYMOUSRXOQR-DQTJKFRJSA-N	802.921	4.445	5	1	KIBF	
CC1=C(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CCC(=O)O)=C5CC(=O)O)c(CCC(=O)O)c4CC(=O)O)c(CCC(=O)O)c3CC(=O)O	85551969	NIGVICSDLYHPTO-UHFFFAOYSA-N	786.747	4.649	5	1	KIBF	
C[C@@H](CO[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1	95618880	YJJBZADWPTXVOZ-FNEVOECJSA-N	665.530	4.379	5	1	KIBF	world
O=C(NCCCN1CCCC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4207779	DMULQAPPBWUCFH-UNMCSNQZSA-N	505.358	4.122	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(Cn4cc([N+](=O)[O-])cn4)c3)c(=O)c3ccccc23)c(O)c1	587667665	OWKWOLVLSAIISM-UHFFFAOYSA-N	538.564	4.457	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1	4154184	JGFLMZZKJSYOEY-PXJZQJOASA-N	579.606	4.479	5	1	KIBF	
CNC(=O)c1ccc(CC[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCC2=O)cc1	13587512	MSMYVTTXHZVTAO-XMMPIXPASA-N	501.539	4.151	5	1	KIBF	
COC(=O)[C@H]1Cc2c(ncn2Cc2ccc([N+](=O)[O-])c(C)c2)CN1C(=O)C(c1ccccc1)c1ccccc1	26959443	QNHIZJFWWFCQMO-HHHXNRCGSA-N	524.577	4.406	5	1	KIBF	
Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@]61Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587314709	ANRVBNGLNLQVAA-DTERBNSASA-N	936.831	4.342	5	1	KIBF	
Cc1cc(NCCN2CCOCC2)c2ccc3c(ccc4c(NCCN5CCOCC5)cc(C)nc43)c2n1	71318353	ASCPZGBZEQTQLO-UHFFFAOYSA-N	514.674	4.041	5	1	KIBF	
O=c1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c(Cc2cc(F)cc(F)c2)c1I	222024555	NOAVZRNITIPDEL-UHFFFAOYSA-N	515.279	4.444	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	586940704	CRBCJMMHWSUSAB-UHFFFAOYSA-N	529.438	4.469	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	586940987	MCAMXQMGPAZQLJ-UHFFFAOYSA-N	541.327	4.333	5	1	KIBF	
C[C@@]1(c2cc3ccccc3c3ccccc23)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587310180	GJHHUMLDHXGPTG-ITMWZBJBSA-N	636.653	4.118	5	1	KIBF	
C[C@]1(c2c3ccccc3cc3ccccc23)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587310422	HNOLQRFAWKZXMF-FKHDBAIDSA-N	636.653	4.118	5	1	KIBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195205649	UZLXDTRAHGCODD-BSCQLBKHSA-N	804.894	4.359	5	1	KIBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	587272778	AIIFTKWDVAAOJU-UHFFFAOYSA-N	511.450	4.306	5	1	KIBF	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCCNCCNCCCNCCNCCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	95616048	DNDDSSPRTBVFCY-UHFFFAOYSA-N	752.829	4.011	5	1	KIBF	
CN(C)c1ccc2c(-c3ccc(NC(=S)NCCOc4ccc(S(N)(=O)=O)cc4)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1	299840303	UXNHQGNYYBYPHO-UHFFFAOYSA-O	660.798	4.013	5	1	KIBF	
CN(C(=O)c1cccc(NC(=O)Cc2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)cc2)c1)C1CCC1	66124006	BAHPVAWKUCFMPV-XMMPIXPASA-N	633.727	4.440	5	3	KIBF	
CCOC(=O)[C@H]1N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@]2([N+](=O)[O-])[C@H](c3ccc(OC)cc3)Oc3ccccc3[C@@H]12	103211367	RKJYDMRQQNOIRY-HOMAGXEVSA-N	519.510	4.112	5	1	KIBF	
COc1ccc([C@@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	261182325	WISDMZFSRGRFNR-KSXXVSADSA-N	603.653	4.374	5	1	KIBF	
Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@@]61Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587314713	ANRVBNGLNLQVAA-JWTLGFJCSA-N	936.831	4.342	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4[N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1	587667467	JZVXBUOZTLVDFR-UHFFFAOYSA-N	554.563	4.445	5	1	KIBF	
CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	1857539520	LJGAEYPIGQJPIU-NRFANRHFSA-N	551.408	4.253	5	1	KIBF	
COc1ccc(COC[C@]23Oc4ccccc4[C@H]([C@H]2COC(=O)c2ccc([N+](=O)[O-])cc2)N(C(=O)CC(C)=O)C(=O)N3C)cc1	100101947	VUGLDCGPSPFMPK-LIUITUQLSA-N	617.611	4.296	5	1	KIBF	
Cc1cc2[nH]c([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)nc2cc1[N+](=O)[O-]	586910475	PBXGRMPMADLSED-RVVXPFHRSA-N	595.693	4.177	5	1	KIBF	
COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(=O)c5cc(Br)ccc5oc4c3)nn2)cc1OC	1857605584	MDVFMAQRZFNZKQ-UHFFFAOYSA-N	623.416	4.460	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	49709197	DNYKWQSMQQBJDU-OUMDNPPYSA-N	587.994	4.140	5	1	KIBF	
Nc1nc(-c2ccc(CCN3CCN(CCCCCN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)CC3)cc2)cs1	299829297	RLHMCIRAWZICJH-UHFFFAOYSA-N	563.772	4.453	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c([C@H](C(=O)O)n3cncn3)c2c1	587620435	BVWWGBTWIGNAJD-RUZDIDTESA-N	562.564	4.126	5	1	KIBF	
CCC(=O)OC[C@H]1O[C@@H](OC(=O)C(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O[C@H]2O[C@H](COC(=O)CC)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O	2356664275	OLBGWEOTCSDWAK-ZPYYNWOHSA-N	899.040	4.277	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)C	26493791	WHZVXHLHCJPQEF-GUNDDFSMSA-N	569.592	4.009	5	1	KIBF	
O=C(N[C@@H](CSCc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1	104961876	IPWBBTPYORYJOH-QFIPXVFZSA-N	553.710	4.352	5	1	KIBF	
CC1=C(C(=O)OCC2CC2)[C@@H](c2cccc([N+](=O)[O-])c2)N(C(=O)OCCN(C)Cc2ccccc2)C(=O)N1	26477391	TXOWSCZGRDQUGD-XMMPIXPASA-N	522.558	4.157	5	1	KIBF	
C/C(=C/Sc1sc([N+](=O)[O-])cc1[N+](=O)[O-])n1c(C(=O)c2ccc(Br)cc2)noc1=O	49872483	YSAOYAVEQZIGLB-FPLPWBNLSA-N	513.307	4.318	5	1	KIBF	
O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@]1([N+](=O)[O-])C=C3c4ccccc4N(C(=O)c4ccccc4)[C@@]32[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	299815252	MTQUMDGNSOHMRG-VEUAJOEASA-N	636.620	4.124	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1	587620840	HOCQPOXZJQNKHF-UHFFFAOYSA-N	525.499	4.354	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	4208653	CLIZDUJGVQAELN-AZGAKELHSA-N	553.955	4.445	5	1	KIBF	
O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21	586952380	JJOHBDAHRUBKLB-VWLOTQADSA-N	584.614	4.424	5	1	KIBF	
COC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621098	NXHVCUIJOHXCFH-UHFFFAOYSA-N	527.486	4.047	5	1	KIBF	
COc1ccc(COC(=O)C2=C(CN3CCN(c4nc(=O)c5cc(C(F)(F)F)cc([N+](=O)[O-])c5s4)CC3)CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N23)cc1	653735461	LCSZHEZVXQEGEF-ANHUGMMASA-N	810.833	4.354	5	1	KIBF	
COc1ccc([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1Cn1cc(Cl)c([N+](=O)[O-])n1	962665223	LSSLSUUBXVHRAL-BKMJKUGQSA-N	521.961	4.238	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@H](CO)C3(c4ccc(O)cc4)CCCC3)O[C@H]12	2356645933	KEBCJXYFIYBLFS-LHJAQVQCSA-N	683.754	4.057	5	1	KIBF	
COc1cc2nc(N3CC[C@@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc(NCc3ccccc3)c2cc1OC	105133371	JDIKMXLEKOLDDU-HXUWFJFHSA-N	542.596	4.484	5	1	KIBF	
CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	586949364	SXGXAFBRGLEMJM-UHFFFAOYSA-N	543.514	4.263	5	1	KIBF	
CCOP(=O)(Cc1ccc(Nc2ncc([N+](=O)[O-])c(=Nc3ccccc3C(=O)NC)[nH]2)cc1)OCC	1857762906	JOINNSMFYCSKGD-UHFFFAOYSA-N	514.479	4.420	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	4078753	AUTDUZQGJSYWGE-AHWVRZQESA-N	553.955	4.445	5	1	KIBF	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])NC(=O)N1CCCC(=O)O	59796515	GJVAJSSNSJNKNN-HHHXNRCGSA-N	609.613	4.311	5	3	KIBF	
CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccccc2OC)nc1-c1ccc([N+](=O)[O-])cc1	105176470	GGDMJHXAGFLKEB-UHFFFAOYSA-N	537.617	4.230	5	1	KIBF	
N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587181152	UNRBMCZRFSVDME-SNVBAGLBSA-N	628.990	4.391	5	1	KIBF	
O=C(c1coc2ccccc2c1=O)N1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)c3ccccc23)CC1	653799986	VCOCWHXPCHSLCR-UHFFFAOYSA-N	522.517	4.243	5	1	KIBF	
COc1c2n(CCc3ncc(OC)c4c3[nH]c3c(OC)cccc34)ccc3c-2n(c(=O)c1=O)c1ccccc31	14655540	LSOSHBWRTOQOFV-UHFFFAOYSA-N	520.545	4.455	5	1	KIBF	biogenic
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	254132032	IWIDWVCTAPKWBY-WYDAKKJLSA-N	543.601	4.357	5	1	KIBF	
CCOC(=O)c1cc(Br)c2[nH]c(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	587267196	VIFMSCBATQIAQT-UHFFFAOYSA-N	654.471	4.040	5	1	KIBF	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(C(=O)CNc2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc12	73225026	BEGAZILBOHGLOU-QFIPXVFZSA-N	527.990	4.311	5	1	KIBF	
O=C1O/C(=C/Cn2cnc3c(Cl)ncnc32)C(OCc2ccc([N+](=O)[O-])cc2)=C1OCc1ccc([N+](=O)[O-])cc1	102201621	UDKAVQZAAGEEIO-DJKKODMXSA-N	564.898	4.382	5	1	KIBF	
COc1ccccc1CCNc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2cccc([N+](=O)[O-])c2)n1	105163856	VNJFOPZHVMFFSI-UHFFFAOYSA-N	527.537	4.374	5	1	KIBF	
O=C(O)[C@@H]1[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl	587010036	DXCPIOUGALHZRP-OZSWBRGFSA-N	506.944	4.496	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1	4204524	DSMWOKUTEQOUAX-IAPPQJPRSA-N	563.563	4.190	5	1	KIBF	
CCOC(=O)Cc1c(-c2ccccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621722	ZYCRIDDEJHDLGD-UHFFFAOYSA-N	510.528	4.053	5	1	KIBF	
CCOC(=O)[C@@]1(CC(=O)c2cc(C)cc([N+](=O)[O-])c2O)N[C@H](C)Cc2cc(Br)c(F)cc21	587749053	ZZTSPEUFTJPXJF-IPQOISQHSA-N	509.328	4.076	5	1	KIBF	
O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O)c1cccc([N+](=O)[O-])c1	13821979	OOMSOWNNUKTQQA-UHFFFAOYSA-N	511.538	4.243	5	1	KIBF	
COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12	28769722	BCFBGMFQLQASNB-UHFFFAOYSA-N	513.392	4.071	5	1	KIBF	
CC[C@H](C)C[C@@H](C)/C=C(/C=C(C)\C=C\C=C\C=C\C=C/C=C/c1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)o1)C(=O)O	299816905	YQULWNMZEPTDEC-CEJOGRTPSA-N	612.716	4.128	5	1	KIBF	
O=C(CCC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[N+](=O)[O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	1857556939	WIZHFYBXZGEZJS-LBYVEUBFSA-N	835.871	4.223	5	1	KIBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)O[C@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	169729258	VATGWEZOSFWWCV-BFLUCZKCSA-N	505.571	4.424	5	1	KIBF	
C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1	4044417	LCGUBKQMVLKIFN-CDAVKZRYSA-N	520.517	4.498	5	1	KIBF	
CC(C)c1noc(C2CCN(c3ncnc(Nc4ccc(S(=O)(=O)C(C)C)cc4)c3[N+](=O)[O-])CC2)n1	40867229	QTBSMZUWNKCUQV-UHFFFAOYSA-N	515.596	4.201	5	1	KIBF	
Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CO)c4c3cc(N)c3ccccc43)cc2)ccc1S(C)(=O)=O	73224390	KIQKTOAKLGKXER-DQRYEYLNSA-N	573.739	4.077	5	1	KIBF	
CC[C@H](COC)Nc1nc(N2CCCN(C(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	105125878	DNVZGTJYUJZZNX-JOCHJYFZSA-N	580.686	4.454	5	1	KIBF	
CN1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@@H]1c1ccccc1	40873741	CDTCGYREXCFZHW-RUZDIDTESA-N	502.502	4.229	5	1	KIBF	
COc1ccc(-c2nnc(-c3ccc4nc(CC[C@H](N)C(=O)Nc5ccc([N+](=O)[O-])cc5)[nH]c4c3)o2)cc1	587271608	GYOATBWPUNLVKA-FQEVSTJZSA-N	513.514	4.095	5	1	KIBF	
CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1C	587620972	LWJSSULJOOQABH-UHFFFAOYSA-N	612.617	4.415	5	1	KIBF	
CC(=O)O[C@@H]1C[C@@H](O)[C@@H](C)O[C@H]1[C@@]1(C)C(=O)c2cc3[nH]c(cc4nc(cc5cc(C)c(cc1n2)[nH]5)C(=O)[C@@]4(C)[C@H]1O[C@@H](C)[C@@H](O)C[C@H]1OC(C)=O)cc3C	257534454	RQOFTLFCRJDAJR-IJIJCDCZSA-N	742.826	4.153	5	3	KIBF	
CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@H](CO)Cc1ccccc1	4215286	DRKSHXHXARRVIY-RRWZXMNXSA-N	513.591	4.346	5	1	KIBF	
O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NNC(=S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	27766871	NZHNZHDVZIVCNG-UHFFFAOYSA-N	605.698	4.451	5	1	KIBF	
COc1cc2[nH]c3c(c2cc1OC)CCN[C@@]31CC[C@]2(Cc3c(O)c(OC)cc4c3[C@H]2[N+](C)([O-])CC4)C[C@H]1OC	238758230	OABHVUUEQIPQQO-RWYDNRAVSA-N	549.668	4.224	5	1	KIBF	
Cc1cc2[nH]c(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)nc2cc1[N+](=O)[O-]	587175997	DVTRRDBHHDNUBP-BETUJISGSA-N	523.544	4.143	5	1	KIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	587869897	QUKLKKNCSNEJSD-UHFFFAOYSA-N	547.471	4.370	5	1	KIBF	
C[N+](C)(C)CCOC(=O)Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O	2007844	CGWWDUBQNHXUJC-UHFFFAOYSA-N	500.881	4.445	5	1	KIBF	
O=C1[C@@H]2[C@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl	27325233	ALWRYSHRLGINAM-YHIXANTKSA-N	550.953	4.277	5	1	KIBF	aggregator
COC(=O)c1c(Cc2ccccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620216	SEERWABPWWYYEA-UHFFFAOYSA-N	513.503	4.402	5	1	KIBF	
COc1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c([N+](=O)[O-])cc1OC(F)F	962930691	WLGJCUBXEOCWMC-PGRDOPGGSA-N	502.426	4.391	5	1	KIBF	
CN(C)c1ccc(C(=O)N2CCC(n3c(=O)cnc4cnc5cc(F)c(-c6ccc(N)nc6)cc5c43)CC2)cc1	1772592297	HAOZVHIPDYYKNJ-UHFFFAOYSA-N	537.599	4.271	5	1	KIBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@]2(CC[C@@H]4CCC[C@@]42c2ccc(O)cc2)[C@@H]1O)[C@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@@]3(O)CO	2356667421	LNLRAQKUUOOBSY-ZTTDZETQSA-N	778.899	4.281	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCCC1	4152264	FYRNNKUVHZGOOW-LADGPHEKSA-N	500.983	4.341	5	1	KIBF	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2OCC[C@H]12	49877758	JINKISLXVHISGQ-JROHOTFMSA-N	647.725	4.168	5	1	KIBF	
O=C(N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1)C12CC3CC(CC(C3)C1)C2	210459456	JARQZQCOMGTPJC-UHFFFAOYSA-N	522.549	4.449	5	1	KIBF	
CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c([C@]3(C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)CC1	962730532	NXGFOTXKTGLJCA-PXDATVDWSA-N	519.520	4.284	5	1	KIBF	
CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1	4079455	ZTADFBVYRBQWRQ-JBRSBNLGSA-N	508.962	4.256	5	1	KIBF	
COC(=O)C[C@@H]1Cc2c(c(=O)c3c(O)ccc4c5c6c(c(=O)c7c(O)ccc(c2c34)c75)[C@@H](C)O[C@H](CC(=O)OC)C6)[C@@H](C)O1	238733080	MLRHPPKTWOMOBV-WCVJEAGWSA-N	598.604	4.437	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC	4045777	ZAWWZSPWANXXIE-UHSQPCAPSA-N	578.622	4.146	5	1	KIBF	
Cc1cc2[nH]c([C@@H](N)CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2cc1[N+](=O)[O-]	586943727	HSIRWMFVWIRFPN-IBGZPJMESA-N	510.620	4.147	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C[C@H]2COc3ccccc3O2)[C@H]1c1cccc([N+](=O)[O-])c1	299810802	JBGWBMCVMVJNTC-TXYAAWOISA-N	537.569	4.158	5	1	KIBF	
CCOC(=O)C1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@H]1c1cc(OC)c(Br)c(OC)c1	1772616035	NITNRHPRNGIURB-IBGZPJMESA-N	551.397	4.403	5	1	KIBF	
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)N(c1cccc([N+](=O)[O-])c1)C=N2	1772656462	CAPYGKGEUWENJC-AREMUKBSSA-N	578.545	4.023	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4208249	YNZAQYQNPRXGIO-OWSXEPHWSA-N	575.018	4.483	5	1	KIBF	
CCN(CC)CCCNc1nc(N2CC[C@@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])C2)nc2cc(OC)c(OC)cc12	105133416	IAKNVBJFWFHJPC-HXUWFJFHSA-N	565.675	4.016	5	1	KIBF	
COC(=O)c1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1	586941871	XQASQUSLWDOJEV-UHFFFAOYSA-N	545.574	4.341	5	1	KIBF	
CCN(CC)CCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC(=O)NCCN(CC)CC)cc12	1772572160	OPUPVZOFEGBCOC-UHFFFAOYSA-N	519.690	4.157	5	1	KIBF	
C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC(c2ccc(NC(=O)C(F)(F)F)cc2)=NN1	28710386	FZVBSNLCPFQYET-GOSISDBHSA-N	503.359	4.209	5	1	KIBF	
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cc2)cc1	66157619	OTYMYFUZQJTBTD-UHFFFAOYSA-N	524.643	4.022	5	1	KIBF	
CO[C@@H]1C(=O)O[C@H](C)[C@H](C)C=C(C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	1857626515	HVAZDLGGLVHMFV-GJFUPCOTSA-N	675.783	4.377	5	1	KIBF	
CCC(=O)OC[C@H]1O[C@@H](OC(=O)C(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O[C@H]2O[C@H](COC(=O)CC)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	2356664273	OLBGWEOTCSDWAK-SHFCXHFVSA-N	899.040	4.277	5	1	KIBF	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C(C(=O)O)=C(C(=O)O)N1Cc1cccc([N+](=O)[O-])c1	13553501	XJFRTXMMZKGJKN-HXUWFJFHSA-N	514.918	4.497	5	1	KIBF	
CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C(=O)Oc3ccccc3)(c3ccccc3)CC2)=C(C)N1	27564293	RZIZBETWVGIROJ-JGCGQSQUSA-N	637.737	4.461	5	1	KIBF	
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O	586999258	WYCVEARRLMDLRM-IOHSPMLXSA-N	665.453	4.207	5	1	KIBF	
CC1=C(C(=O)OCCc2ccc([N+](=O)[O-])cc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(C)N1	31861385	DRXCGOGFDBUTAC-DEOSSOPVSA-N	509.515	4.475	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	586941901	XZHDUTQKMSERFV-UHFFFAOYSA-N	525.328	4.453	5	1	KIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(CNc3ncnc4c3cnn4CCc3ccccc3)c2)cc1	103253396	RCLLBELMAPEMKU-UHFFFAOYSA-N	529.582	4.390	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)/C(=C/c3ccccc3[N+](=O)[O-])NC(C)=O)c(=O)c3ccccc23)c(O)c1	587664129	APGKPQNZHBWTFP-JLPGSUDCSA-N	541.564	4.341	5	1	KIBF	
COc1ccc([C@H](N2CCOCC2)N2[C@@H](c3ccccc3)C[C@@H](O)N2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	1772585094	XGXXDHXLVWTTJQ-ZRJLEYOISA-N	535.557	4.029	5	1	KIBF	
Cn1cc(NC(=O)c2cccc3c(=O)c4cccc(C(=O)Nc5cc(C(=O)NCCCN6CCCC6)n(C)c5)c4[nH]c23)cc1C(=O)NCCCN1CCCC1	49679196	MJYIDNXPQJAJHJ-UHFFFAOYSA-N	747.901	4.294	5	1	KIBF	
CC1=NC(C)=C(C(=O)OC[C@@H]2CCCCO2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712072	VGHWATKVSWORPV-XJHASQEKSA-N	611.629	4.128	5	1	KIBF	
COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621026	NMJCUOKWZFFIKU-UHFFFAOYSA-N	589.586	4.402	5	1	KIBF	
CC(=O)Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc([C@H](C)O)oc6cc45)c3cc2o1	2356833856	KKOGRMUGEUPOCA-NSHDSACASA-N	586.505	4.291	5	1	KIBF	
CN1CCN(CCCN(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H]2CCc3ccc([N+](=O)[O-])cc3C2)CC1	35923045	KDICVURCXPMQFP-OAQYLSRUSA-N	504.006	4.416	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cccc(OC)c1OC	4154111	VUYOPHVBJXFPKU-GGXMVOPNSA-N	579.606	4.479	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	73219851	IWIDWVCTAPKWBY-CRKZPIATSA-N	543.601	4.357	5	1	KIBF	
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cccc([N+](=O)[O-])c2[nH]1)OCc1ccccc1	587220895	HCOHQLJPXLZUIW-WUFINQPMSA-N	620.666	4.353	5	1	KIBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc([N+](=O)[O-])c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586908307	CNDUSQIARPWLSN-LYIMMMJESA-N	613.752	4.376	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])N[C@H](C)Cc2cc(Br)c(F)cc21	587727574	OGOWIBFHUHFVMH-SFDCACGMSA-N	541.345	4.156	5	1	KIBF	
CCOC(=O)CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	71329412	GQOXYCLMMCEMBJ-UHFFFAOYSA-N	517.508	4.459	5	1	KIBF	
COc1cc([C@H]2Oc3ccc4c(=O)c5c(O)cc6c(c5n(C)c4c3O[C@H]2CO)C=CC(C)(C)O6)cc(OC)c1O	85561852	YCYRMTDEEUGSQO-RBISFHTESA-N	547.560	4.178	5	1	KIBF	
O=C1c2c([N+](=O)[O-])ccc(O)c2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21	587577564	SRUSJQPQBDPKMH-WNCULLNHSA-N	542.412	4.070	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC	587668894	HWKABHJDCMTCGK-UHFFFAOYSA-N	544.564	4.294	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	767374	DDYNYACBMNROTF-VPUSJEBWSA-N	535.553	4.080	5	1	KIBF	
O=C(O)COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	963029374	YOHFMFVJCSTPAB-OFVILXPXSA-N	549.923	4.434	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(N3C(=O)CCC3=O)c2c1	587620811	HMABUSKLFNBHQH-UHFFFAOYSA-N	520.523	4.206	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(F)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1	587666511	FDNMVFZOGPTDEP-UHFFFAOYSA-N	506.490	4.382	5	1	KIBF	
Cc1onc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079885	OSWJFJFPFURXTO-UHFFFAOYSA-N	600.962	4.304	5	1	KIBF	
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)NCCCNCCCCNCCCN)c3ccc(=[N+](CC)CC)cc-3oc2c1	49650222	RAEZROJACHYBJU-UHFFFAOYSA-O	744.017	4.086	5	1	KIBF	
Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C)c1	586931991	IEYKGUMEUWSANQ-KRWDZBQOSA-N	618.673	4.153	5	1	KIBF	
C[C@@]1(c2ccc3c(ccc4ccccc43)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587311620	UKIDQMQQEOBEDW-ITMWZBJBSA-N	636.653	4.118	5	1	KIBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@H](C(C)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715718	FYJPURJJRRXYHN-PXJZQJOASA-N	574.678	4.345	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cc(OC)ccc1OC	4154150	QZUIWZACZRCFBZ-YTMVLYRLSA-N	579.606	4.479	5	1	KIBF	
CC[C@H](C)[C@H](NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)[C@H](CC1CCCCC1)NC(=O)/C=C/C(=O)O)C(N)=O	95606587	KDOSALYREQUODZ-OUTFCDBBSA-N	786.968	4.457	5	1	KIBF	
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)/c(=N/c2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)cs2)s1	103281736	NTFRBFBNFXTMGI-RFBIWTDZSA-N	563.621	4.172	5	1	KIBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)NCCCN2CCN(c3ccccc3OC)CC2)[C@H]1c1cccc([N+](=O)[O-])c1	27639535	ZOADGLVIUQUIIN-SYWZTQOGSA-N	563.655	4.180	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(F)cc1	770524	KZEIPHTYMGEICR-AZGAKELHSA-N	521.501	4.312	5	1	KIBF	
CN(CCCN(C)Cc1ccc(C(=O)O)cc1[N+](=O)[O-])CC(=O)Nc1ccc(Oc2ccccc2)cc1	40936584	XFGLLSDJDCPUKI-UHFFFAOYSA-N	506.559	4.478	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3C3=NOC[C@H]3[C@@H]2COC(=O)c2ccc([N+](=O)[O-])cc2)OCO4)cc(OC)c1OC	103203857	JQFDZPPIEQUDNB-ISJBWFOZSA-N	562.531	4.319	5	1	KIBF	
CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621198	QHCFAEYYXWOJDV-UHFFFAOYSA-N	582.591	4.489	5	1	KIBF	
O=C(O)c1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1	962714672	VJGLAUOGLBRODK-NZQKXSOJSA-N	504.392	4.342	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	4037620	RGWMAGLAPYUJPF-VWNXMTODSA-N	510.934	4.256	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccccc1F	4154969	YGSADHDGBGVOET-RSXGOPAZSA-N	521.501	4.312	5	1	KIBF	
CN1C(=O)c2c(c3c4ccccc4n(CC(=O)N[C@H](Cc4ccccc4)C(=O)O)c3c3[nH]c4ccccc4c23)C1=O	42834217	VJRHZZAFVOECBC-OAQYLSRUSA-N	544.567	4.467	5	1	KIBF	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	43910445	AOLQBHBDLWMQMX-OOKNTVSHSA-N	589.689	4.415	5	1	KIBF	
CNC[C@@H]1C[C@@H]2[C@H](O[C@@H]3[C@H](C(=O)Oc4c(CO)[nH]c5ccc6cc7ccccc7cc6c45)O[C@]4(O)[C@H](O)C=C[C@@H]2[C@]34O)[C@H](C2(c3ccc(O)cc3)CCCCC2)[C@H]1O	2356775882	PHDKXMNOSKUPMF-JXWMEQRYSA-N	790.910	4.445	5	1	KIBF	
C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N+]4(C)CCCC[C@@H]4CCO)ccc2-3)CCCC[C@@H]1CCO	26647495	SZVDRBYYPUPHQW-KXRXCYCYSA-P	606.808	4.318	5	1	KIBF	
COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	768894	QNCJHYMUBOWLLT-AOYPEHQESA-N	553.955	4.445	5	1	KIBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc(Br)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	586941997	YYSLYGZBKDVLHF-UHFFFAOYSA-N	536.227	4.197	5	1	KIBF	
Cc1cc(Br)cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	587265420	DMQIEXJQQCZMQA-UHFFFAOYSA-N	596.435	4.171	5	1	KIBF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nnc(SCc5cccc([N+](=O)[O-])c5)s4)CC3)cc21	28528809	XKCXKGKYMSECIO-UHFFFAOYSA-N	570.628	4.237	5	1	KIBF	
C[C@]1(c2cc3ccccc3c3ccccc23)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587310182	GJHHUMLDHXGPTG-QPBKTWBUSA-N	636.653	4.118	5	1	KIBF	
CCCC[C@H](C(=O)NCc1ccccc1C(F)(F)F)N1C(=O)CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	206917928	FKZUDYOIUSJWJH-NHCUHLMSSA-N	520.508	4.418	5	1	KIBF	
CC(=O)O[C@@H]1[C@@H](n2ccc3c(C)c4nc5ccc(O)cc5c4c(C)c3c2)O[C@@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O	377376560	AOYYJQCFKBFHRE-YELYMKMUSA-N	534.565	4.378	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	169303851	KYKIQEYJCMYACB-TWVZQSRDSA-N	587.994	4.140	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(F)c3)c(CC(=O)O)c2c1	587620592	VWHCIKZJQUFQTL-UHFFFAOYSA-N	517.466	4.458	5	1	KIBF	
COc1cc(OC)c2c(=O)c3cc([N+](=O)[O-])ccc3oc2c1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1	261136838	MGLSXWULOAGSDD-UHFFFAOYSA-N	593.536	4.401	5	1	KIBF	
CCOC(=O)[C@@H]1/C(=C/N2CCN(c3ccccc3)CC2)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	169723447	UXHZVISOVSTHIX-ZLWQPROGSA-N	534.613	4.175	5	1	KIBF	
CC(C)[C@H](C)OC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H](C)C(C)C	169371819	VSWRJZIBKDKTKR-KEKSMWEKSA-N	747.824	4.447	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc([N+](=O)[O-])cc3F)c(=O)c3ccccc23)c(O)c1	587667338	JKRYOUZFWIZBOR-UHFFFAOYSA-N	506.490	4.382	5	1	KIBF	
Cc1cccc2nc3cccc(C(=O)NCCN4CCN(CCNC(=O)c5cccc6nc7cccc(C)c7nc56)CC4)c3nc12	29209546	APLNWCQVOTUHPG-UHFFFAOYSA-N	612.738	4.274	5	1	KIBF	
O=C(CCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	64634043	OWYJQBPJRMPHHN-FQEVSTJZSA-N	591.534	4.144	5	1	KIBF	in-vitro
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)N(C)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	58480378	WCYQJOVQMKACRB-IWOFBJJHSA-N	602.021	4.482	5	1	KIBF	
C[C@]1([C@@H](O)c2ccc(Br)cc2)NC(=S)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O	72178235	ZIIYWVTXKUENOO-WMLDXEAASA-N	504.284	4.090	5	1	KIBF	
Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c2c1OC(C)(C)C2	150595236	PXTWVEQWTPZDBL-SVBPBHIXSA-N	743.884	4.339	5	1	KIBF	
O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2cc1Cl	586942788	KJCNZCCCJJLFPE-UHFFFAOYSA-N	538.605	4.171	5	1	KIBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21	587745663	KEDRJDWBBCRMNI-MIXRQCMLSA-N	539.398	4.205	5	1	KIBF	
COc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2	1857537569	WRJFEQJBQCWRFI-UHFFFAOYSA-N	540.576	4.144	5	1	KIBF	
C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cc([N+](=O)[O-])cc3c2c(cc2ccncc23)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	3931440	CEDQBFHPAYMLEU-RTBURBONSA-N	675.658	4.206	5	1	KIBF	
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O	25987642	RLRWLPXJRRENAS-UHFFFAOYSA-N	584.708	4.350	5	1	KIBF	
COc1cc2c(cc1OC)[C@@](C)(c1ccc(OC)c(OC)c1[N+](=O)[O-])N(C(=O)c1ccccc1N)CC2	963134538	CKGYJFSROTZWJX-HHHXNRCGSA-N	507.543	4.173	5	1	KIBF	
CCOC(=O)[C@@H]1CSCN1C(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1	100046370	DGXPJTBCIKJVEC-WDMTYLQUSA-N	501.072	4.091	5	1	KIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(Br)cnc(Br)c3[nH]2)CC1	587270212	SJMYRBQTGPUZPO-UHFFFAOYSA-N	509.158	4.411	5	1	KIBF	
COc1cc2nc(N3CC[C@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc(NCCCOC(C)C)c2cc1OC	105133356	CALGQEGKBLYEHI-IBGZPJMESA-N	552.632	4.099	5	1	KIBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12	586949864	DMLJPHKSYIHXAT-UHFFFAOYSA-N	531.344	4.473	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1	587266315	KORADEVXDYYUFN-UHFFFAOYSA-N	600.398	4.002	5	1	KIBF	
COc1cc(OCc2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)ccc1[N+](=O)[O-]	587262378	SZATWYNXYMRHPA-UHFFFAOYSA-N	530.585	4.058	5	1	KIBF	
COc1ccc2c(c1OC)[C@@H](c1ccc([N+](=O)[O-])c(O)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2	963775511	IYAAUKHPROXMHF-XMMPIXPASA-N	501.495	4.156	5	1	KIBF	
C[C@@H]1O[C@H](C)Cc2c1c(O)c1c(=O)cc3oc4c(O)cc(O)c5c(=O)c6c7c(c45)c3c1c2O[C@]7(O)[C@H](C)O[C@H]6C	2356817336	DJXMEXWPXJXPMS-CIKJDRGBSA-N	544.512	4.207	5	1	KIBF	
COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	768886	HCFSXSDZKALSGD-ZEQKJWHPSA-N	553.955	4.445	5	1	KIBF	
COC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)[C@@H](C(=O)O)C1	13863829	YDDSCHDADLMSAK-WAEYIKQSSA-N	513.572	4.246	5	1	KIBF	
CC(=O)Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(C[C@H](C)O)oc6cc45)c3cc2o1	49784247	DELYIJJKVUTVRM-NSHDSACASA-N	600.532	4.161	5	1	KIBF	biogenic
CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc([N+](=O)[O-])c([N+](=O)[O-])cc5[nH]4)c3c2)cc1	586952094	FYOVGAGRUKOFIH-UHFFFAOYSA-N	550.509	4.500	5	1	KIBF	
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1	17577088	INVYQKCATNRMMQ-QFIPXVFZSA-N	543.393	4.426	5	3	KIBF	
COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	769143	VLBMCQXIOKYMBG-VWNXMTODSA-N	509.902	4.394	5	1	KIBF	
COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)N=C(C)[C@H](C(N)=O)[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1	169716156	XEEZZVVUQHKGAE-SZAHLOSFSA-N	682.822	4.081	5	1	KIBF	
CC[C@@H](C)C[C@H](C)/C=C(/C=C(C)\C=C\C=C\C=C\C=C/C=C/c1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)o1)C(=O)O	299816906	YQULWNMZEPTDEC-CHFMLGTDSA-N	612.716	4.128	5	1	KIBF	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@]2(CCC[C@H]3CN[C@@H](C(=O)O)[C@@H]32)N1C(=O)OCC1c2ccccc2-c2ccccc21	963227422	CGNSPHKGRPIRFC-LDAOECEKSA-N	658.620	4.137	5	1	KIBF	
Nc1nc(N)nc([C@]2(Cc3ccccc3)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)n1	963237170	NTQOQWYGWXEFPN-CYFIQEHSSA-N	704.656	4.305	5	1	KIBF	
CN(OCc1ccc([N+](=O)[O-])o1)C(=O)CCCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C	1857554278	JMXKWURLYONAGJ-UHFFFAOYSA-N	550.498	4.178	5	1	KIBF	
Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)no1	42988513	YQUMEJDEWPVTIF-YMGYHPDWSA-O	585.685	4.114	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCc2cccc(F)c2)c([N+](=O)[O-])c1	17577084	INVYQKCATNRMMQ-JOCHJYFZSA-N	543.393	4.426	5	3	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	767372	DDYNYACBMNROTF-XNMGPUDCSA-N	535.553	4.080	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587318667	JEXZULAKEMNQMB-BLIZTZSSSA-N	777.742	4.215	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1	4204528	AAQYYDKGMSZXAT-PXJZQJOASA-N	579.606	4.479	5	1	KIBF	
C[C@H](CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1	95618883	YJJBZADWPTXVOZ-HWKJYUCUSA-N	665.530	4.379	5	1	KIBF	world
O=C(O)[C@H]1[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl	587011366	RJQJXBVDQPBSNL-MPCSLWBPSA-N	506.944	4.496	5	1	KIBF	
CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc([N+](=O)[O-])c21	587470475	JZGSVHCUFJRSNO-VWLOTQADSA-N	506.423	4.026	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCN(C)c1ccccc1	4079890	MQNYSRUZSMSALC-IAPPQJPRSA-N	546.580	4.457	5	1	KIBF	
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N@+](C)(Cc3cccc(O)c3)C2)cc1	253669600	SIEQNGMENABBKP-XAFWHCCISA-O	589.713	4.321	5	1	KIBF	
CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Br)c([N+](=O)[O-])c5[nH]4)nc3n2)cn1	587128096	GIJZQMWLBZEVED-UHFFFAOYSA-N	532.309	4.278	5	1	KIBF	
CN1CCN(c2cc(C(F)(F)F)cnc2[C@@]2(c3ccc([N+](=O)[O-])cc3)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)CC1	963687020	MSDGPJIQUHYMBD-UJHKNFJSSA-N	704.706	4.166	5	1	KIBF	
CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OCCCCCc2ccccc2)[C@@H]1c1ncc([N+](=O)[O-])n1C	40847889	NGLOYECGOMEHQR-RUZDIDTESA-N	523.634	4.388	5	1	KIBF	
CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCC1CCCCC1	104960800	SILCTLVPFOEMEL-FQEVSTJZSA-N	534.660	4.157	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	254132027	IWIDWVCTAPKWBY-LKFSIGMXSA-N	543.601	4.357	5	1	KIBF	
O=C(c1cccc(Br)c1)c1[nH]c2ccccc2c1Nc1nc(N2CCOCC2)ncc1[N+](=O)[O-]	1772632010	VKAGQUWXNWDUBU-UHFFFAOYSA-N	523.347	4.440	5	1	KIBF	
C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cccc3c2c(cc2cc(F)cnc23)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	29404237	UCNOAMDLHYVMAK-RTBURBONSA-N	648.651	4.437	5	1	KIBF	
O=C(NC1CCN(C2CCC3(CC2)OCCO3)CC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1	96940116	PCWXXWYRNJIHHJ-UHFFFAOYSA-N	580.594	4.333	5	1	KIBF	
CNC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715748	UVICRDSFJQQDJY-XCZPVHLTSA-N	531.657	4.175	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)c(=O)c3ccccc23)c(O)c1	587667940	WANMKYRSUULNST-UHFFFAOYSA-N	538.564	4.457	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC	4036587	MHAQVZMDXDYNAH-VPUSJEBWSA-N	518.570	4.347	5	1	KIBF	
CN(C)c1cccc2c(S(=O)(=O)Oc3ccc(C[C@H](NC(=O)c4ccc([N+](=O)[O-])cc4)C(=O)O)cc3)cccc12	70719033	WPIQCSRQXCMSDG-DEOSSOPVSA-N	563.588	4.007	5	1	KIBF	
CCOCCN(CCOCC)C(=O)c1cnc(NCCc2ccccc2OC)nc1-c1cccc([N+](=O)[O-])c1	105163783	CTOVBJSPECJLJS-UHFFFAOYSA-N	537.617	4.230	5	1	KIBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1	587267148	UXGZDGVJZRJDGC-GTJPDFRWSA-N	546.949	4.368	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587284527	IDHXYUCSPCYQHB-NDEKLWFNSA-N	712.491	4.055	5	1	KIBF	
CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])N[C@H](C)Cc2ccc(F)c(Br)c21	587730161	WXGFMDLWWWUMGZ-SFDCACGMSA-N	541.345	4.156	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3OCC(=O)N(C)C)c(C)c2c1	587621207	QLFPZTKCIHQFDX-UHFFFAOYSA-N	538.582	4.328	5	1	KIBF	
COc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2	1857595265	YPWYOWCVFGYYBD-UHFFFAOYSA-N	555.611	4.327	5	1	KIBF	
O=C1c2ccccc2C[C@]12[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21	66058780	IZJUDSMPEIVHER-ZCUSHOGSSA-N	528.546	4.248	5	1	KIBF	
CCCN(CCC)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)C(=O)NC2CCN(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1	42835614	ZKNVIQQBCSYASM-JHOUSYSJSA-N	643.785	4.340	5	1	KIBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	253798750	YYEWXNWXUYYCSF-QDIGFPIMSA-O	587.697	4.169	5	1	KIBF	
Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C)c1	586932413	OOLKOCMHQQFMJG-SFHVURJKSA-N	591.666	4.384	5	1	KIBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1	587266139	IYUYWZPRTUHOCS-LAJNKCICSA-N	546.949	4.368	5	1	KIBF	
CCN(CC)CCCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC(=O)NCCCN(C)C)cc12	1772610997	YPMJHALOGPMGSZ-UHFFFAOYSA-N	519.690	4.157	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@@H]1CCCCO1	26486375	HSRXFCRDBFXKGT-LJZRCEFNSA-N	611.629	4.128	5	1	KIBF	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(C(=O)CNc2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc12	73225025	BEGAZILBOHGLOU-JOCHJYFZSA-N	527.990	4.311	5	1	KIBF	
CCOC(=O)[C@@H](N)CCCCn1c(=O)c2c(C)c3cc4[nH]c(cc5[nH]c(cc6nc(c(c-2n3)c1=O)[C@@H](CCC(=O)OC)[C@@H]6C)c(C)c5C=O)[C@@](C)(O)[C@@]4(O)CC	195161270	MGHRSIDVLFFBBI-MUBIKDMPSA-N	770.884	4.215	5	1	KIBF	
CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)c2c1	87515650	LVFGMGNFRLRSFM-SCMCFCBLSA-O	662.925	4.321	5	1	KIBF	in-vitro
COc1cc(NC(=S)N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3C(=O)OC[C@H]23)OCO4)ccc1[N+](=O)[O-]	473083470	OFDHTMDKNGDPPA-QKHVDVHYSA-N	623.640	4.320	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	4078788	AUTDUZQGJSYWGE-AZGAKELHSA-N	553.955	4.445	5	1	KIBF	
COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCN[C@H]3CC[C@H](O)CC3)c2c1)C(=O)NC4=O	100373797	IDQNRCHDRUUOCX-HDICACEKSA-N	510.594	4.225	5	1	KIBF	
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc([N+](=O)[O-])c(Cl)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1	587176717	DPQMTLNDNVNYHE-PHIMTYICSA-N	543.962	4.488	5	1	KIBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@H](C2(c4ccc(O)cc4)CCCCC2)[C@@H]1O)[C@@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@]3(O)CO	2356424864	XLJCDAIHLSHXPY-FWAIDQAMSA-N	766.888	4.281	5	1	KIBF	
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+]6(CC5)CC[N+](C)(C)CC6)CCOCC4)c3Cl)c2n1	82178794	OYRVSOVPWBWKJP-UHFFFAOYSA-N	706.737	4.314	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)CSc3nnc(CCn4cc([N+](=O)[O-])cn4)n3CC)c(=O)c3ccccc23)cc1OCC	587669748	NXSVQHXCZNRWJR-UHFFFAOYSA-N	618.676	4.252	5	1	KIBF	
C[N+]1(Cc2ccccc2)[C@H]2CC[C@H]1CC(O[P@](=O)(O)OC[C@H]1O[C@@H](n3cc(F)c(O)nc3=O)C[C@@H]1OC(=O)c1ccccc1)C2	1857653139	AUYPZBNHPQGOKM-KKDXOLJZSA-O	644.613	4.075	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC(C)C	26482739	PFNMYLCFHQKZMB-CHTIKVTKSA-N	583.619	4.400	5	1	KIBF	
COCCNC(=O)c1ccc(NCc2cc(OC)c(OC)c(OC)c2)c2c(=O)c3cccc(C)c3[nH]c12	1772648469	XOUBPHHCOXWLPA-UHFFFAOYSA-N	505.571	4.004	5	1	KIBF	
C[C@H]1CCCCN1CCCNc1ccc([C@H](CC(N)=O)NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-]	263591766	KKYDNQNLCCULFV-MBSDFSHPSA-N	516.042	4.200	5	3	KIBF	
COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC	82147970	AWHSZCYVZPKDAG-UHFFFAOYSA-N	507.591	4.476	5	1	KIBF	
O=[N+]([O-])c1c(Br)ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12	586943169	PPISDARNXVOFOQ-UHFFFAOYSA-N	583.056	4.280	5	1	KIBF	
CCCN1C(=O)[C@@](O)(c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c2ccccc21	587621517	WIXBTAADOUDWND-MHZLTWQESA-N	550.593	4.186	5	1	KIBF	
C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1	4044420	LCGUBKQMVLKIFN-IAVPUSHASA-N	520.517	4.498	5	1	KIBF	
CCOC(=O)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O	253677733	KYKIQEYJCMYACB-NJRQHTIISA-N	587.994	4.140	5	1	KIBF	
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@H](c3ccccc3)N2[C@H](c2ccccc2)N2CCOCC2)c([N+](=O)[O-])c1	1772622108	LRNYBFUDKFHGJW-LGPLSSKUSA-N	505.531	4.021	5	1	KIBF	
COc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1	586949047	YCGRQHWQOVNAEQ-UHFFFAOYSA-N	504.322	4.105	5	1	KIBF	
CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)ccc([N+](=O)[O-])c21	587470474	JZGSVHCUFJRSNO-RUZDIDTESA-N	506.423	4.026	5	1	KIBF	
C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cc([N+](=O)[O-])cc3c2c(cc2cccnc23)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	29399269	GVCZAQCOCBVLEG-RTBURBONSA-N	675.658	4.206	5	1	KIBF	
O=C1c2c([N+](=O)[O-])ccc(O)c2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c([N+](=O)[O-])ccc(O)c21	587577562	SRUSJQPQBDPKMH-HOFKKMOUSA-N	542.412	4.070	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NCc3ccc(F)cc3)c2c1	587621548	VRICHXKKFORJOH-UHFFFAOYSA-N	512.519	4.263	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4056072	IPALNKYESXWGOB-OWSXEPHWSA-N	575.018	4.483	5	1	KIBF	
COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@H]1c2c(cc(O)c3c(=O)c4cccc(O)c4n(C)c23)O[C@H]1C(C)(C)O	85907221	FTTSBKFANOKIKQ-OOXUFLSTSA-N	640.645	4.493	5	1	KIBF	endogenous,in-man
O=[N+]([O-])c1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1[N+](=O)[O-]	587178914	NZRBJQSNFINIPL-UHFFFAOYSA-N	536.023	4.256	5	1	KIBF	
COc1ccc(NS(=O)(=O)c2ccc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c3c2)cc1	587270632	OQFXAEJAEXOXKM-UHFFFAOYSA-N	535.582	4.300	5	1	KIBF	
NS(=O)(=O)c1cc([C@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1F	963242192	XMKCYTXUXHISCE-IGKIAQTJSA-N	678.607	4.345	5	1	KIBF	
Cc1ccc(-n2c(=O)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n3c4ccccc4nc23)cc1	53059189	QITZXRIRYBIUIN-UHFFFAOYSA-N	516.609	4.385	5	1	KIBF	
O=[N+]([O-])c1ccc([C@@H]2N=C3NC4=C(C=C3c3nc(=S)[nH]c(O)c32)c2nc(=S)[nH]c(O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N4)cc1	96907346	YZVDBORUMMUPRW-KDURUIRLSA-N	627.624	4.369	5	1	KIBF	
COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCN3CCCC3=O)c2cc1OC	105138710	HXNWKFCJLWAHEN-UHFFFAOYSA-N	593.685	4.156	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725866	IWIDWVCTAPKWBY-GXQHJZMOSA-N	543.601	4.357	5	1	KIBF	
CO[C@@H]1[C@H](N(C)C(N)=S)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	206971798	FOUWKDQXQMBZFO-YFSCRWCDSA-N	525.634	4.310	5	1	KIBF	
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C)CCC[C@]4(C)[C@H]2C[C@H]1C[C@@H]3C(=O)OC[C@H](O)C[N+](C)(C)C	299837076	OGKYRXJDCCPPSP-RROXIRKWSA-N	606.889	4.038	5	1	KIBF	
COC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1	586987830	SAOSRSLSKJBSCW-SIBVEZHUSA-N	528.517	4.486	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCOc1ccccc1	4153672	WSRZODIGMKOFCN-RSXGOPAZSA-N	519.510	4.009	5	1	KIBF	
COC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1	586987827	SAOSRSLSKJBSCW-AFMDSPMNSA-N	528.517	4.486	5	1	KIBF	
CC[n+]1c(-c2ccccc2)c2cc(NC(=O)CCCC(N)=O)ccc2c2ccc(NC(=O)CCCC(N)=O)cc21	28821304	XECFPGPFTJQUCS-UHFFFAOYSA-O	540.644	4.156	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(S(C)(=O)=O)c2c1	587619999	NRBPPBLGDDISET-UHFFFAOYSA-N	519.532	4.095	5	1	KIBF	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O	43910455	AOLQBHBDLWMQMX-PDFFEHQOSA-N	589.689	4.415	5	1	KIBF	
CCCCOCCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82086105	URYAKKAANUELOV-QFIPXVFZSA-N	527.599	4.393	5	1	KIBF	
CC[C@@H](COC)Nc1nc(N(C)CCN(C)C(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12	105113446	VSUNUPXLGOSSNI-NRFANRHFSA-N	568.675	4.310	5	1	KIBF	
CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CC[N+](C)(C)CC5)CC[C@]4(C)[C@H]3CC[C@@]21C	95560660	HEWXCUHFARWDQR-UVIBDDKCSA-N	531.826	4.177	5	1	KIBF	
CC[C@@H](COC)Nc1nc(NCCCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12	105122456	RGNOVURHSYNARV-FQEVSTJZSA-N	554.648	4.333	5	1	KIBF	
CCCSc1nc(NCCNC(=S)Nc2ccc([N+](=O)[O-])cc2)c2nnn(CCc3ccccc3)c2n1	1857757669	ILYSBIYZMGUIGD-UHFFFAOYSA-N	537.675	4.273	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	772195	YNZAQYQNPRXGIO-YJGRUCBDSA-N	575.018	4.483	5	1	KIBF	
NS(=O)(=O)OCCn1cnc2c(Oc3ccc([N+](=O)[O-])cc3)nc(NCc3ccc(C4CCCCC4)cc3)nc21	103246510	NWVBRMDLJSKUDI-UHFFFAOYSA-N	567.628	4.407	5	1	KIBF	
CCC1=NC(COCCN)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(N)=O	169716140	XIIKDAODIFECTH-NOCHOARKSA-N	666.823	4.462	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N[C@@H](CCSC)C(=O)N3CCN(c5ccc([N+](=O)[O-])cc5)CC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	150601256	FFYKYKNSKHOOQW-UKGQIFRZSA-N	764.810	4.219	5	1	KIBF	
CSCC[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12)c1nc2ccccc2[nH]1	2356866892	ZVRDHXZSAUYXSU-FEHFCVAISA-N	584.702	4.408	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cc(OC)ccc1OC	4154147	QZUIWZACZRCFBZ-XRKRLSELSA-N	579.606	4.479	5	1	KIBF	
COc1ccccc1CNc1nc(N2CCN(CCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	164018448	NSIRCKWVYSWSFT-UHFFFAOYSA-N	643.745	4.437	5	1	KIBF	
Nc1c(C(=O)O)cc([N+](=O)[O-])c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577059	QVGPQRGUMGNROE-RBISFHTESA-N	524.441	4.031	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1	17577011	KXXOGNDRUKPRHH-JOCHJYFZSA-N	541.402	4.124	5	3	KIBF	
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1	28761090	YDLDYJWBZLQDKB-UHFFFAOYSA-N	545.936	4.417	5	1	KIBF	
O=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)c([N+](=O)[O-])cc2c1=O	28868179	PZUUCDKDXCPXSJ-UHFFFAOYSA-N	578.944	4.269	5	1	KIBF	
CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587205754	TYGZZZVSHKCCCY-JCIOZEIESA-N	655.506	4.255	5	1	KIBF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	961778427	FKIZWBISNAQPNH-JLHXZSQLSA-N	612.614	4.307	5	1	KIBF	
CCOC(=O)CCCC[C@]1(c2ccc(OC)c([N+](=O)[O-])c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963231385	MIFLROKNWCZRAA-AJTFRIOCSA-N	507.543	4.118	5	1	KIBF	
CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc([N+](=O)[O-])c1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1	14946730	HNWZJOSYFBXZFH-LJAQVGFWSA-N	611.765	4.178	5	1	KIBF	
COc1ccc2nc3c(c(C)nn3[C@H]3CN(Sc4ccccc4[N+](=O)[O-])C[C@@H](CO)O3)c(Cl)c2c1	26163095	WXWCUWNSDGKFFF-MGPUTAFESA-N	515.979	4.362	5	1	KIBF	
CCC12CN3CCN(CC(C3)[C@]13c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N3C(=O)OCC1c3ccccc3-c3ccccc31)C2	963213050	FZHBHJUOHWNZFH-ZWPGLLHCSA-N	669.691	4.322	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4153753	WRSVHDVZUBPSEU-BQVXCWBNSA-N	584.626	4.228	5	1	KIBF	
NCCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCN(C(=S)Nc3ccnc4cc(Cl)ccc34)CC2)n1	98085206	YGWZYMYMLMHCGT-UHFFFAOYSA-N	594.105	4.005	5	1	KIBF	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@H]2OCC[C@H]12	49877752	JINKISLXVHISGQ-LYVYNRNDSA-N	647.725	4.168	5	1	KIBF	
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	169328039	BTNRLYYYHYBJNY-MZXODVADSA-N	913.930	4.036	5	1	KIBF	
Cc1c(NS(=O)(=O)c2ccc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587270541	MQWWPASQNSGUCY-UHFFFAOYSA-N	615.672	4.090	5	1	KIBF	
COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCOc2ccccc2)cc1	2480564	PRCXAHVPGITNON-UHFFFAOYSA-N	503.467	4.463	5	1	KIBF	
CN(C)CCNc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(NCCN(C)C)c3c(=O)c4ccccc4[nH]c23)c2[nH]c3ccccc3c(=O)c12	95542795	MYOUXJUOPPYYMO-UHFFFAOYSA-N	759.956	4.495	5	1	KIBF	
COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	4079423	QNCJHYMUBOWLLT-AZGAKELHSA-N	553.955	4.445	5	1	KIBF	
O=C(OCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)c1cn(C2CC2)c2cc(N3CCN(Cc4cn(-c5ccc([N+](=O)[O-])cc5)nn4)CC3)c(F)cc2c1=O	1772649750	XITKHAKAUCQGTI-UHFFFAOYSA-N	735.693	4.133	5	1	KIBF	
O=C(NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1)c1ccc([N+](=O)[O-])cc1	27632313	AVZBCUMBTIDDAI-UHFFFAOYSA-N	511.026	4.036	5	1	KIBF	
COc1cccc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC	104967260	MAEXQBPNMPORSS-QHCPKHFHSA-N	576.631	4.367	5	1	KIBF	
CCn1cc([C@]2(CC(=O)C(=O)OC)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1	963241510	VHWMOCCLTXSXNN-JCVFDAPQSA-N	713.656	4.370	5	1	KIBF	
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1c1cccc([N+](=O)[O-])c1	26485972	FGLJJLVRLITOPJ-AVQAENAPSA-N	569.592	4.011	5	1	KIBF	
O=C(N[C@@H](CSCc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104961566	NSIHXTHSDDJXHT-QHCPKHFHSA-N	553.710	4.352	5	1	KIBF	
COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104964954	FITVUINQHIIYIK-IBGZPJMESA-N	526.571	4.086	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(CC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)CC1)C2	1772630244	JZARZSBBJHZTMT-KRWDZBQOSA-N	524.599	4.318	5	1	KIBF	
COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	4208682	XTJUVNSRTMMATQ-AHWVRZQESA-N	553.955	4.445	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	73198452	RCZHORLHRVOEFS-SPMYTZGXSA-N	588.569	4.155	5	1	KIBF	
COC(=O)C(=O)C[C@]1(c2ccco2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963214904	ADQGAPVZHRYVGX-RBBQXQBVSA-N	671.571	4.438	5	1	KIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1	587868896	WSFOTAZZQQXECB-UHFFFAOYSA-N	500.437	4.431	5	1	KIBF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]1(c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(C)c1	961792605	ZJYFLQJSRSRRCF-JHFJJOSTSA-N	610.642	4.026	5	1	KIBF	
COC(=O)c1cc(C[C@@H](C)CN2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)[C@H]3CCCC[C@H]3C2)cc(C(=O)OC)c1	49777628	XCUHKPSXGQGWCF-JHPWSJGBSA-N	620.747	4.434	5	1	KIBF	
COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@H]1c2c(cc(O)c3c(=O)c4cccc(O)c4n(C)c23)O[C@@H]1C(C)(C)O	85907219	FTTSBKFANOKIKQ-SFRLIIPVSA-N	640.645	4.493	5	1	KIBF	endogenous,in-man
O=[N+]([O-])c1c(Br)ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12	586950027	MVCXUQSBVUQTEW-UHFFFAOYSA-N	531.344	4.473	5	1	KIBF	
CCCc1c(O)ccc2c1OC1(CC2=O)c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21	587469376	DEFDKHIILGXDBZ-UHFFFAOYSA-N	506.423	4.026	5	1	KIBF	
O=C(Nc1cccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)c1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	1857599700	NGGXQAURQNDZIB-UHFFFAOYSA-N	538.460	4.434	5	1	KIBF	
Cc1cc(F)cc([C@@H](N)Cn2c(=O)c(N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c(C)n(Cc3c(F)cccc3F)c2=O)c1	1857632815	CEDSWCIKNDKZLI-LJAQVGFWSA-N	622.648	4.023	5	1	KIBF	
COc1cc(O)c2c(=O)c3cccc(O[C@@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@@H]4O)c3n(C)c2c1	14612726	MNOCITGIWBOSNH-VSGBNLITSA-N	515.518	4.164	5	1	KIBF	endogenous,in-man
CC1=C(c2ccc3nc(-c4ccccc4NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)[nH]c3c2)NNC(=O)C1	586949526	XVNBTUJXOIAPAC-UHFFFAOYSA-N	518.555	4.003	5	1	KIBF	
CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	587256942	WKMWYVMTOFQGOZ-HXUWFJFHSA-N	529.549	4.447	5	1	KIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587263043	JOUDIYHUNKLXQD-OAUYIBNBSA-N	510.494	4.043	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC	769504	FGXCVRSPXCSJED-BDYUSTAISA-N	536.560	4.268	5	1	KIBF	
CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)ccc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C	29231221	XJYPHZFNXOQNDC-QHCPKHFHSA-N	655.728	4.475	5	1	KIBF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	961778426	FKIZWBISNAQPNH-DEDOGFMKSA-N	612.614	4.307	5	1	KIBF	
CCOC(=O)C(=O)C[C@]1(C(C)C)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21	963016494	LAMWSOZEFHNZHP-SUYBVONHSA-N	525.605	4.208	5	1	KIBF	
CCOC(=O)[C@H]1CSCN1C(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1	100046373	DGXPJTBCIKJVEC-HXSIZDNVSA-N	501.072	4.091	5	1	KIBF	
COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCN3CCOCC3)c2cc1OC	105138770	NBAADWKMNLLWCS-UHFFFAOYSA-N	623.755	4.267	5	1	KIBF	
C[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@+]8(C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69	253655018	IIYHWTVUYIYKKG-LWSKMHDHSA-N	614.834	4.363	5	1	KIBF	in-vivo
CS[C@]1(C)C(=O)N2[C@@H]3N(c4ccc5oc6cc(=O)c(N)c(C(=O)O)c-6nc5c4C(=O)O)c4ccccc4[C@]3(c3c[nH]c4ccccc34)[C@@H](O)[C@@]2(SC)C(=O)N1C	2356604850	JAFMWNYBHBAYHM-JHUQIUOYSA-N	792.852	4.330	5	1	KIBF	
CCCCN(CCCC)CCNC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085269	YIJPVQSCIATWCQ-JOCHJYFZSA-N	501.653	4.341	5	1	KIBF	
NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1	102389797	ZXJGFVGTIKDQMI-UHFFFAOYSA-N	589.651	4.145	5	1	KIBF	in-vitro
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](N(C)C)[C@@H]3O)c21	238774573	GHLIFBNIGXVDHM-PQKHAQKNSA-N	563.603	4.148	5	1	KIBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c(F)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O	586906572	FEOYRDQTFJZQAO-QYUQTYFBSA-N	599.656	4.007	5	1	KIBF	
CN(C)S(=O)(=O)c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)o1	586930207	AOCUEOLLJNAQJK-UHFFFAOYSA-N	545.529	4.355	5	1	KIBF	
COc1ccc([C@@]2(Cn3cc([N+](=O)[O-])nc3C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1	963177389	CYBXGZNTKRAXAP-SIKLNZKXSA-N	524.883	4.323	5	1	KIBF	
COc1cc(O)c2c(=O)c3cccc(O[C@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@H]4O)c3n(C)c2c1	14612727	MNOCITGIWBOSNH-NSOVKSMOSA-N	515.518	4.164	5	1	KIBF	endogenous,in-man
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCc2ccccc2F)c([N+](=O)[O-])c1	17577060	UGLLJAXJEAGFDC-QFIPXVFZSA-N	543.393	4.426	5	3	KIBF	
COc1cc2nc(N3CCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCc3ccccc3)c2cc1OC	105116348	QMGFSZGCZUTOQE-UHFFFAOYSA-N	542.596	4.438	5	1	KIBF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	586957603	CMMXHUTVOYNBHQ-LJAQVGFWSA-N	571.567	4.314	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCOc1ccccc1	4153674	WSRZODIGMKOFCN-AHWVRZQESA-N	519.510	4.009	5	1	KIBF	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12	27192601	JINKISLXVHISGQ-OMIJEVHZSA-N	647.725	4.168	5	1	KIBF	
CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1[N+](=O)[O-]	95603329	ZNGJJYRMAIFAFC-UHFFFAOYSA-N	535.622	4.080	5	1	KIBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1OC	771637	NOTPTCKEJZGJMK-AHWVRZQESA-N	519.510	4.139	5	1	KIBF	
CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c([C@@]3(C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c2)CC1	962730530	NXGFOTXKTGLJCA-OFVILXPXSA-N	519.520	4.284	5	1	KIBF	
COC(=O)[C@@H](CC(C)C)NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O	40866975	PLCSNFPNVMIEAK-LJQANCHMSA-N	524.577	4.359	5	1	KIBF	
CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NC1CCN(Cc2ccccc2)CC1	82082394	KCLUXHIATQLFCV-XMMPIXPASA-N	521.643	4.254	5	1	KIBF	
CCCCOCCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82086104	URYAKKAANUELOV-JOCHJYFZSA-N	527.599	4.393	5	1	KIBF	
CC(=O)O[C@@H]1C[C@@H](O)[C@@H](C)O[C@H]1[C@]1(C)C(=O)c2cc3[nH]c(cc4nc(cc5cc(C)c(cc1n2)[nH]5)C(=O)[C@@]4(C)[C@H]1O[C@H](C)[C@H](O)C[C@H]1OC(C)=O)cc3C	254136351	RQOFTLFCRJDAJR-YBUMQHJSSA-N	742.826	4.153	5	1	KIBF	
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cccc([N+](=O)[O-])c2[nH]1)OCc1ccccc1	587220892	HCOHQLJPXLZUIW-VSGBNLITSA-N	620.666	4.353	5	1	KIBF	
CCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(C(=O)O[C@H](C)Cn4c([N+](=O)[O-])cnc4C)cc3)C2)cc1	653792943	RJQSBCKLTGILQO-NSYGIPOTSA-N	519.558	4.442	5	1	KIBF	
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1	17577015	KXXOGNDRUKPRHH-QFIPXVFZSA-N	541.402	4.124	5	3	KIBF	
COc1ccc([C@@H](C(=O)NC2CCN(C[C@@H](O)c3ccnc4ccc(OC)cc34)CC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	206905489	BNHWQGZJYSCRCB-GPOMZPHUSA-N	654.768	4.338	5	1	KIBF	
CCc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@@H](C)[C@@H](OC(C)=O)[C@H](N(C)C)[C@@H]3O)c21	238764685	RPGKOJWPMHXBFC-FSOPNZLUSA-N	565.619	4.067	5	1	KIBF	
COc1cc2nc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc(NCc3ccc4c(c3)OCO4)c2cc1OC	105139869	YKQXLXFWEOROEJ-UHFFFAOYSA-N	544.568	4.223	5	1	KIBF	
COc1cc(O)c2c(=O)c3ccc4c(c3n(C)c2c1)OC[C@](C)(C=Cc1c(O)ccc2ccc(=O)oc12)O4	2356676979	AEXHLHGCDOTWGS-LJAQVGFWSA-N	513.502	4.461	5	1	KIBF	
CN(C)c1cccc2c(S(=O)(=O)Oc3ccc4c(c3)CN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C(=O)O)C4)cccc12	89455627	LIBWTYIQQHSECV-SANMLTNESA-N	575.599	4.233	5	1	KIBF	
COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCOC(C)C)c2cc1OC	105122274	XWUUOIAAOHLOGO-UHFFFAOYSA-N	540.621	4.323	5	1	KIBF	
CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCc2c(N)nc(N)[nH]c2=O)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C	29231583	PSVZRNJUQSYWCB-QFIPXVFZSA-N	700.725	4.383	5	1	KIBF	
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)Nc1ccccc1[N+](=O)[O-]	137372776	YEVSUPHBPJRSDX-AHWVRZQESA-N	545.665	4.142	5	1	KIBF	
COC(=O)C(=O)c1c(-c2ccc(OC)cc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620669	XGXOJAYHODYPCA-UHFFFAOYSA-N	557.512	4.056	5	1	KIBF	
CC(=CC=CC=CC=CC=CC=CC=CC=C[C@@H]1N=C(C=Cc2ccc[nH]2)O[C@H]1C)C(=O)N[C@H](CC(N)=O)C(=O)O	2356752052	JGWQTBBYPIXQNM-RZDMPUFOSA-N	556.663	4.498	5	1	KIBF	
O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4208156	JFBGKPDPCIFQQS-VWNXMTODSA-N	509.902	4.264	5	1	KIBF	
COc1cc2c(cc1OC)CN(CCc1ccc(-n3cc(COc4ccc([N+](=O)[O-])cc4)nn3)cc1)CC2	653717536	NJDBWFRDMSHXBK-UHFFFAOYSA-N	515.570	4.373	5	1	KIBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	769148	CWMXTKLENRXOAG-RSXGOPAZSA-N	553.955	4.445	5	1	KIBF	
C[N@+]12CC[C@@]34c5ccccc5N5[C@H]6OCC=C7C[N@+]8(C)CC[C@@]9%10c%11ccccc%11N%11[C@H]%12OCC=C(C1)[C@H](C[C@@H]32)[C@@]%12([C@H]54)[C@@]6([C@H]7C[C@@H]98)[C@H]%11%10	255202448	CLCDLMYWXWKMMH-XHYBNIDASA-N	612.818	4.310	5	1	KIBF	
CCOC(=O)c1cc([C@H]2N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)n(CC)n1	963008278	BKACJJLHBPXLTO-LSYYVWMOSA-N	535.604	4.317	5	1	KIBF	
COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	4078245	HCFSXSDZKALSGD-OZXSUGGESA-N	553.955	4.445	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1OC	4155184	FVRSSPFWEAWWKN-XNMGPUDCSA-N	535.553	4.428	5	1	KIBF	
CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4215528	KDRXSYJDEJBGHJ-PBNUPURSSA-N	532.594	4.463	5	1	KIBF	
COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCCN2CCCC2=O)c([N+](=O)[O-])cc1OC	4320557	GSIIUIMSUZYUOM-UHFFFAOYSA-N	528.949	4.330	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1	587665478	QOMOIXYPSQBDCE-UHFFFAOYSA-N	517.498	4.429	5	1	KIBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)C[C@@H]3CC[C@H](O)[C@H](C4(c5ccc(O)cc5)CCCC4)[C@@H]3O[C@H]12	2356371842	REUVKBRSVUNCKJ-AONKKCMMSA-N	709.792	4.445	5	1	KIBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	103288976	OBISJMILURQNPB-MUUNZHRXSA-N	532.641	4.389	5	1	KIBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc([N+](=O)[O-])c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586908304	CNDUSQIARPWLSN-HPUMIPRUSA-N	613.752	4.376	5	1	KIBF	
O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(S(=O)(=O)c3ccc(Cl)cc3)cc(Cl)cn12	1857584761	KBRJFMICGLTJRB-UHFFFAOYSA-N	526.379	4.356	5	1	KIBF	
CO[C@@H]1[C@@H](COC(=O)[C@H](CCCCN)NCCC(=O)O)[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	29547959	KFVSFZBFNNNZMM-UYJFKEJQSA-N	653.736	4.097	5	1	KIBF	
CC(=O)O[C@H]1C[C@]2(C)CC[C@H]3[C@@H]4C[C@H](N5CC[N+](C)(C)CC5)[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1	72115349	WWBSMJMHEKKTHK-PNQOALASSA-N	616.932	4.024	5	1	KIBF	
COc1cccc([C@@H]2[C@H]([N+](=O)[O-])[C@H](Cc3cnc[nH]3)N[C@]23c2ccccc2-c2nc4ccccc4nc23)c1	1911574925	MLFJUBNESDQKEA-HLBHGXTFSA-N	504.550	4.229	5	1	KIBF	
CN(C)CCCNc1cc2c(=O)n(CCCN(C)C)c(=O)c3ccc4c5ccc6c(=O)n(CCCN(C)C)c(=O)c7ccc(c1c4c32)c5c67	28820455	DLJDBCDEWJFYDN-UHFFFAOYSA-N	660.819	4.230	5	1	KIBF	
CC(=O)O[C@@H]1C[C@@H](O)[C@@H](C)O[C@@H]1[C@]1(C)C(=O)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)cc5C)C(=O)[C@@]4(C)[C@H]1O[C@H](C)[C@H](O)C[C@H]1OC(C)=O)[nH]3	96900973	RQOFTLFCRJDAJR-NWIFYKEUSA-N	742.826	4.153	5	1	KIBF	
COc1cc2c(=O)n(CCNP(=O)(OC)OC)c3c4cc5c(cc4ccc3c2cc1OC)OCO5	1857573278	DJLXMIWGVZLIPJ-UHFFFAOYSA-N	500.444	4.044	5	1	KIBF	
O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085264	QETOTGIDJBQRDX-DEOSSOPVSA-N	519.627	4.104	5	1	KIBF	
O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c2)N1	963234545	UWOLQLJPCBDYAF-RDJZCZTQSA-N	512.238	4.492	5	1	KIBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@H](C2(c4ccc(O)cc4)CCCCC2)[C@@H]1O)[C@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@@]3(O)CO	2356424867	XLJCDAIHLSHXPY-UXBVGZDGSA-N	766.888	4.281	5	1	KIBF	
CC[C@H]1[C@@H](NC(=O)CSc2nc3ccccc3c3nc(=O)c(-c4ccc(OC)cc4)nn23)[C@H]2CC[C@@H]1C2	73199243	OGYHFLPCMHEKQZ-DUFJIPPSSA-N	515.639	4.346	5	1	KIBF	
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@]1([N+](=O)[O-])C=C3c4ccccc4N(C(=O)c4ccccc4)[C@@]32[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	299815250	MTQUMDGNSOHMRG-CKLORJGRSA-N	636.620	4.124	5	1	KIBF	
COC(=O)c1ccc(Oc2ccc3nc(CNS(=O)(=O)c4ccc(SC)c([N+](=O)[O-])c4)[nH]c3c2)cc1	586941368	SLPVFNMBCARXOD-UHFFFAOYSA-N	528.568	4.250	5	1	KIBF	
COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12	28767949	VHQRCCSUCSHGEI-UHFFFAOYSA-N	513.392	4.071	5	1	KIBF	
CO[C@H]1C(Br)=CO[C@@]2(C=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CC[N+](C)(C)C)cc1Br)[C@@H]2O	95546890	YYVPQIKHTFGWEN-SFLYRZDNSA-O	776.135	4.349	5	1	KIBF	
CC1=C(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(C)=C5[C@@H](O)CO)c(C)c4[C@@H](O)CO)c(C)c3CCC(=O)O	169712286	IYQQDYYJPFBTRQ-KYJUHHDHSA-N	630.698	4.054	5	1	KIBF	
COc1ccc(CCC[N@+]2(CCCc3ccccc3)CCC[C@H](NC(=O)c3nc(Cl)c(N)[nH]c3=N)C2)cc1	473135674	RJZUXHZQSWKSTP-RJVOLCHMSA-O	538.116	4.108	5	1	KIBF	
Cc1c(F)cccc1-c1cc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc([N+](=O)[O-])c1	587136758	MDTBQCFKGCYMML-UHFFFAOYSA-N	503.534	4.003	5	1	KIBF	
CSc1ccc([C@@H]2[C@H]3CSCN3[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23C(=O)Oc2ccccc23)cc1	1772619811	FGWAHPWQSCSVGE-LFKDDQTCSA-N	531.615	4.493	5	1	KIBF	
CC(C)[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12)c1nc2ccccc2[nH]1	2356821925	WYIMPPSRXTWMJR-NKNBPZPOSA-N	552.635	4.311	5	1	KIBF	
CN(C)CCCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc3c(=O)n(CCCN(C)C)c(=O)n4c5ccccc5c(=O)c2c34)c2c(=O)c3ccccc3[nH]c12	95540040	GKIQEHGFHXULBZ-UHFFFAOYSA-N	814.004	4.430	5	1	KIBF	
O=[N+]([O-])c1ccccc1[C@@H]1N=C2NC3=C(C=C2c2nc(=S)[nH]c(O)c21)c1nc(=S)[nH]c(O)c1[C@H](c1ccccc1[N+](=O)[O-])N3	96907341	ZCOSAZBTRARBBE-OALUTQOASA-N	627.624	4.369	5	1	KIBF	
CC[C@@H](COC)Nc1nc(NCCCCNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12	105119326	SWALYENTXSHXAQ-SFHVURJKSA-N	540.621	4.323	5	1	KIBF	
C[C@@H]1C[C@]2(C[C@@H](C(=O)O)[C@H]1C(=O)O)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963224887	MXPHBXSKRXCASZ-SDXOJBRVSA-N	675.603	4.496	5	1	KIBF	
CO[C@@H]1[C@H](COC(=O)[C@H](CCCCN)NCCC(=O)O)[C@@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	150592937	KFVSFZBFNNNZMM-SHWZFHMCSA-N	653.736	4.097	5	1	KIBF	
Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	587953934	WOQBAMWORJZWCJ-VXKWHMMOSA-N	548.464	4.204	5	1	KIBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@]1(C[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1[N+](=O)[O-]	963666796	LQPAQIDNCDSQCV-FAUWPHGTSA-N	601.656	4.233	5	1	KIBF	
COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21	963731338	OWNJKPRBLRABMV-VWYPKUQYSA-N	611.607	4.295	5	1	KIBF	
O=C(O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577900	UOMMSUMYJUBNEE-RBISFHTESA-N	509.426	4.448	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)CN(C)c3ccc([N+](=O)[O-])c4nonc34)c(=O)c3ccccc23)cc1OCC	587669379	LDTSSDBHJFWKKT-UHFFFAOYSA-N	544.524	4.082	5	1	KIBF	
CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C)Cn1ccc([N+](=O)[O-])n1	962986981	KHWUTKCOSAIUCU-RUZDIDTESA-N	512.950	4.035	5	1	KIBF	
COC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)[C@H](C(=O)O)C1	13863830	YDDSCHDADLMSAK-BQYDLMEBSA-N	513.572	4.246	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@H]1CCCO1	26476607	OZPOVPRMCKZNPF-LKHIEZPYSA-N	625.656	4.170	5	1	KIBF	
NS(=O)(=O)c1ccc(F)c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1	587142028	JNGIIOITBHYLBO-UHFFFAOYSA-N	545.504	4.298	5	1	KIBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC	4075642	CKJLELAVQUTHRN-VPUSJEBWSA-N	536.560	4.268	5	1	KIBF	
CCN1CCN(C(=O)[C@H](CC(C)C)NC(=O)Cn2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)CC1	42835469	VMNKEJUNJNLOJR-DEOSSOPVSA-N	606.727	4.350	5	1	KIBF	
O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085370	UYMMFFJWAOPYFR-DEOSSOPVSA-N	519.627	4.104	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)[C@H](C)n3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC	587668919	IZVQLLHGWUMFLB-KRWDZBQOSA-N	505.531	4.484	5	1	KIBF	
CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1	4045268	GNJPSLISOKLDIR-OCDQVXHZSA-N	522.989	4.126	5	1	KIBF	
O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049728	SXQMEMKDFFPJFU-FYYLOGMGSA-N	524.327	4.494	5	1	KIBF	
CC(=O)OCOCC(=O)OCO[P@@H](=O)[C@H](OCOC(C)=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1	17654600	UOEOHWQOFUVJQD-QFIPXVFZSA-N	620.298	4.215	5	1	KIBF	
Nc1nc(-c2ccc(CCN3CCN(CCCCN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)CC3)cc2)cs1	299824503	CEDRQUPCCLPEHF-UHFFFAOYSA-N	549.745	4.063	5	1	KIBF	
CN(Cc1ccccc1N(CCO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1	1857552405	SKWGXAQLIWKLSB-OVCLIPMQSA-N	563.554	4.473	5	1	KIBF	
COc1ccc([C@H](C(=O)NC2CCN(C[C@H](O)c3ccnc4ccc(OC)cc34)CC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	48307360	BNHWQGZJYSCRCB-OIDHKYIRSA-N	654.768	4.338	5	1	KIBF	
COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOC(=O)[C@H](C)N)c(-c3cccc(F)c3)oc12	299853086	FOLMEEPLPVCGSW-AWEZNQCLSA-N	511.502	4.047	5	1	KIBF	
CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587205757	TYGZZZVSHKCCCY-YPPWHJBPSA-N	655.506	4.255	5	1	KIBF	
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+]6(CCN(C)CC6)CC5)CCOCC4)c3Cl)c2n1	82178417	SGMIXNIXHTVPCN-UHFFFAOYSA-N	691.702	4.169	5	1	KIBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)CN(C)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169299332	UOCNUTYNIHRYPD-FQNJNTOFSA-N	517.513	4.053	5	1	KIBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c([N+](=O)[O-])c1	587264911	APBGFWYDJGWCMA-UHFFFAOYSA-N	589.499	4.258	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)/C(=C\c3ccccc3[N+](=O)[O-])NC(C)=O)c(=O)c3ccccc23)c(O)c1	587664130	APGKPQNZHBWTFP-LFVJCYFKSA-N	541.564	4.341	5	1	KIBF	
CCCCNC(=O)CN(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C	96023010	LDAGSRRSJMCSPD-DHUJRADRSA-N	706.841	4.316	5	3	KIBF	
CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]	26938385	AYTYJTNCCRHYOF-IXCJQBJRSA-N	568.634	4.459	5	1	KIBF	
COc1cc(OC)c2c(=O)c3ccc(C)cc3oc2c1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1	261170660	SXGJILZGXDTTDN-UHFFFAOYSA-N	529.014	4.436	5	1	KIBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	473085488	WXDCPCOGKPVYIN-QNMIOERPSA-N	593.614	4.312	5	1	KIBF	
COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc([N+](=O)[O-])c([N+](=O)[O-])cc5[nH]4)[nH]c23)cc1	586953329	LVTWKADMMJIQKA-UHFFFAOYSA-N	508.472	4.337	5	1	KIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	587864342	XYXLNTCYXBUZKK-UHFFFAOYSA-N	538.504	4.227	5	1	KIBF	
O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@]2(C(=O)Nc3c(F)cc([N+](=O)[O-])cc32)N1C(=O)c1ccc(Cl)cc1	963016626	MFRYSCVTGCDJCF-FQRUVTKNSA-N	534.887	4.216	5	1	KIBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@H](C2(c4ccc(O)cc4)CCCCC2)[C@@H]1O)[C@@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@@]3(O)CO	2356424865	XLJCDAIHLSHXPY-HKFWXJBISA-N	766.888	4.281	5	1	KIBF	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	4056069	QAZALSJOCLSJCI-YROCYRMSSA-N	558.975	4.194	5	1	KIBF	
COc1cc2nc(N3CCN(CCNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCc3cccs3)c2cc1OC	105127735	KCEHKDYOHIHYHN-UHFFFAOYSA-N	619.748	4.490	5	1	KIBF	
COc1c(OC[C@@H](O)CN(C)C)cc2oc3cc(OC[C@H](O)CN(C)C)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	1857743950	IQSKPFVDZCNMAL-PKTZIBPZSA-N	612.764	4.280	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	768892	AUTDUZQGJSYWGE-RSXGOPAZSA-N	553.955	4.445	5	1	KIBF	
CCOc1ccc(-c2nn(C(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC	587669802	POVIEHFYDRQFAE-UHFFFAOYSA-N	505.531	4.313	5	1	KIBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCc1ccccc1	587226662	WVWHFGJFZWCAQT-WDYNHAJCSA-N	638.656	4.492	5	1	KIBF	
CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1	4036582	HAGMJYPBBPFRAD-RSXGOPAZSA-N	502.527	4.058	5	1	KIBF	
NCCCCNCCCCNCc1c2ccccc2c(CNCCCCNCCCCN)c2ccccc12	29135515	ZUPMGRRGEQYHFJ-UHFFFAOYSA-N	520.810	4.390	5	1	KIBF	
CCN1CCN(C(=O)[C@@H](CC(C)C)NC(=O)Cn2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)CC1	42835467	VMNKEJUNJNLOJR-XMMPIXPASA-N	606.727	4.350	5	1	KIBF	
COc1cc2nc(N3CCC(CNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCN3CCOCC3)c2cc1OC	105136097	NXZOLONZUKBMOK-UHFFFAOYSA-N	635.766	4.045	5	1	KIBF	
COc1cc2c(=O)c3c(O)c(C/C=C(\C)CO)c(O)cc3oc2c(O)c1CC[C@](C)(O)CCCC(C)(C)O	209796501	QHWGCVYVZATLQE-FKYSOYINSA-N	530.614	4.178	5	1	KIBF	
Cc1nc(-c2ccc(CCN3CCN(CCCN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)CC3)cc2)cs1	299824574	CJRKPHZYJGSDKV-UHFFFAOYSA-N	534.730	4.399	5	1	KIBF	
COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	770167	WCVKCZHRZMRBKB-AHKZPQOWSA-N	534.569	4.095	5	1	KIBF	
CO[C@@H]1[C@H](COC(=O)[C@H](CCCCN)NCCC(=O)O)[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	29547963	KFVSFZBFNNNZMM-OPXMBGMSSA-N	653.736	4.097	5	1	KIBF	
CN1CCC[C@@H]1COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104962544	MYRZSHMFDAZLQS-DENIHFKCSA-N	540.667	4.388	5	1	KIBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccc(Br)c2[nH]1	587264698	PSVVQJYKRMKXKB-CPFSXVBKSA-N	515.118	4.438	5	1	KIBF	
CN(CC(=O)NCc1cnc2scc(-c3ccc(Br)cc3)n12)C(=O)c1ccc([N+](=O)[O-])cc1	1857762343	ZNEPXLBQRBRVBY-UHFFFAOYSA-N	528.388	4.122	5	1	KIBF	
NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1	13878946	VWYSRNSYZKFXPZ-HXUWFJFHSA-N	515.339	4.455	5	3	KIBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	169729256	VATGWEZOSFWWCV-DGWZTRNLSA-N	505.571	4.424	5	1	KIBF	
Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)NC(=O)OC(C)(C)C)cc1	586931823	FYHVYDSRGMTGOC-KRWDZBQOSA-N	638.545	4.261	5	1	KIBF	
CC[C@H]1c2cc3[nH]c(c(CC(=O)OC)c4nc(cc5[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c5C)[C@@H](C)[C@@H]4CCC(=O)NCCS(=O)(=O)O)c(C(=O)NCCS(=O)(=O)O)c3C	150600364	GWNLYECWXQBDPD-GRADPPADSA-N	842.994	4.436	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1	4204529	AAQYYDKGMSZXAT-LMSSTIIKSA-N	579.606	4.479	5	1	KIBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc([N+](=O)[O-])cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586907947	BLHQMPNMYUUCJC-LORNRACMSA-N	613.752	4.376	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(S(C)(=O)=O)c2c1	587620264	TXJRWTQHXPAKJN-UHFFFAOYSA-N	519.532	4.095	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@@H]1CCCCO1	26476555	FJZZEGWNIRLCEP-CNJBSMTDSA-N	625.656	4.170	5	1	KIBF	
COc1cc([C@@H]2Oc3c(OC)cc4c(=O)c5c(OC)cccc5oc4c3O[C@H]2COC(C)=O)ccc1O	40872442	JGUCFADCNWOGOA-URXFXBBRSA-N	508.479	4.122	5	1	KIBF	biogenic
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc([N+](=O)[O-])cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586907950	BLHQMPNMYUUCJC-MCBBHRQXSA-N	613.752	4.376	5	1	KIBF	
O=C1c2cccc([N+](=O)[O-])c2C2(N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c2c1cccc2[N+](=O)[O-]	962705005	IXPRYWAPWWNERL-MRXNPFEDSA-N	531.374	4.096	5	1	KIBF	
COc1cc(=O)c2c(OC(C)=O)c3c(c4oc5c(OC(C)=O)c(=O)c6c(OC(C)=O)c7c(cc6c5c1c42)C[C@@H](C)OC7=O)C[C@H](C)OC3=O	2356443364	JIGVQIOPJOCRIQ-NEPJUHHUSA-N	670.579	4.038	5	1	KIBF	
COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)N=C(C)[C@H](C(N)=O)[C@@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1	169716154	XEEZZVVUQHKGAE-HEVIKAOCSA-N	682.822	4.081	5	1	KIBF	
O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	73196780	NSCIWXGEGSQEOF-RUZDIDTESA-N	507.562	4.111	5	1	KIBF	
CC[C@H](COC)Nc1nc(N(C)CCN(C)C(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12	105113450	VSUNUPXLGOSSNI-OAQYLSRUSA-N	568.675	4.310	5	1	KIBF	
COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC	105139331	BJYZVRAWQABMGD-HSZRJFAPSA-N	607.712	4.213	5	1	KIBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2cc([N+](=O)[O-])ccc2Sc2nc4ccccc4s2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587322373	VGAMFQCBCNFKKG-BLIZTZSSSA-N	732.745	4.306	5	1	KIBF	
CC[C@H](COC)Nc1nc(N2CCN(C(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	105116491	KPZSRBHCXSFREA-OAQYLSRUSA-N	566.659	4.064	5	1	KIBF	
N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]2)cn3C2CC2)C1	587171931	AYNWHZBFDSNWQE-CYBMUJFWSA-N	521.509	4.153	5	1	KIBF	
CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620790	GGSGPLWYCFBAEV-UHFFFAOYSA-N	598.546	4.221	5	1	KIBF	
COc1cc2c(cc1OC)[C@@](C)(c1nn(C)cc1[N+](=O)[O-])N(C(=O)c1ccc(C(F)(F)F)cc1)CC2	962671247	CWUDQYPBWXBZKJ-QHCPKHFHSA-N	504.465	4.326	5	1	KIBF	
O=C1C[C@@H]2C[C@]3(C[C@H]2CN1)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N3C(=O)OCC1c2ccccc2-c2ccccc21	963218542	SWFRUDHYUPMHJE-CSCOUVTFSA-N	628.594	4.210	5	1	KIBF	
COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(=O)c5ccc(Br)cc5oc4c3)nn2)c(OC)c1	1857577303	JLGWGUVHTXZNST-UHFFFAOYSA-N	623.416	4.460	5	1	KIBF	
COc1ccc(CC(=O)N2CCC(C)(c3cc(O)n4nc(C)c(-c5ccc([N+](=O)[O-])cc5)c4n3)CC2)cc1OC	1772599776	HLCOZWNVGILZJX-UHFFFAOYSA-N	545.596	4.459	5	1	KIBF	
C[C@@H]1O[C@@H](C)[C@@]2(O)Oc3c4c(c(O)c5c(=O)cc6oc7c(O)cc(O)c8c(=O)c1c2c(c78)c6c35)[C@@H](C)O[C@H](C)C4	2356817337	DJXMEXWPXJXPMS-IEXKQFRSSA-N	544.512	4.207	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@@H]1CCCO1	26476582	OZPOVPRMCKZNPF-FTGIPYPPSA-N	625.656	4.170	5	1	KIBF	
COc1cc2c3c(c1)O[C@@](C(=O)N1CCN(Cc4ccccc4)CC1)(c1c[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O	587433121	OCQTVBCDIOQNRT-QXNWPYRLSA-N	552.587	4.072	5	1	KIBF	
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccccc1Br	205855107	HEOUZNIIPYLWBL-BLFHIAQRSA-N	631.549	4.094	5	3	KIBF	
COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NC[C@H](O)CO)cc1OCc1ccccc1	2484603	GZXNTUIVFGLQSA-IBGZPJMESA-N	553.955	4.241	5	1	KIBF	
CC(C)[C@H](C)OC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@@H](C)C(C)C	95611050	VSWRJZIBKDKTKR-ZCUSHOGSSA-N	747.824	4.447	5	1	KIBF	
O=C1[C@@H]2[C@H](C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl	148620590	ALWRYSHRLGINAM-QYOFDKIESA-N	550.953	4.277	5	1	KIBF	aggregator
Nc1ncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1[N+](=O)[O-]	587267718	DWEBABMTLCLRAP-UHFFFAOYSA-N	509.434	4.397	5	1	KIBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c(F)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O	586906571	FEOYRDQTFJZQAO-NJAHTZCASA-N	599.656	4.007	5	1	KIBF	
CC(=O)c1ccc2c(c1)[C@@]1(CCN(C(C)=O)c3cc([N+](=O)[O-])ccc31)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2	962634358	VJCNLEYRNWIYCC-HOFKKMOUSA-N	523.542	4.044	5	1	KIBF	
CCn1cc(-c2nc3scc(-c4ccc([N+](=O)[O-])cc4)n3n2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	1911574991	VYUFUKVQNIWUKF-UHFFFAOYSA-N	533.589	4.259	5	1	KIBF	
COc1cccc(OC)c1CNc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2cccc([N+](=O)[O-])c2)n1	105163615	WSGPYRIUXCUBJF-UHFFFAOYSA-N	543.536	4.340	5	1	KIBF	
COC(=O)C(=O)c1c(-c2c(F)cccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587619053	AQDVLMAUDAPGGZ-UHFFFAOYSA-N	545.476	4.186	5	1	KIBF	
CS[C@]1(C)C(=O)N2[C@@H]3N(c4ccc5oc6cc(=O)c(N)c(C(=O)O)c-6nc5c4C(=O)O)c4ccccc4[C@]3(c3c[nH]c4ccccc34)[C@H](O)[C@@]2(SC)C(=O)N1C	2356604849	JAFMWNYBHBAYHM-HJPNJQTLSA-N	792.852	4.330	5	1	KIBF	
COc1ccc([C@]2(C(O)O)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1	963214915	AHGLLNFORBCEGC-OOOSNSGVSA-N	657.588	4.032	5	1	KIBF	
O=C(CCC(CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[N+](=O)[O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O	1857556938	WIZHFYBXZGEZJS-KVBYWJEESA-N	835.871	4.223	5	1	KIBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCOc1ccccc1	4153673	WSRZODIGMKOFCN-AZGAKELHSA-N	519.510	4.009	5	1	KIBF	
C[C@@]1(CC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc(n2)[C@H]1CCC(=O)O)[C@@](C)(CC(=O)O)[C@@H]5CCC(=O)O)C(CC(=O)O)=C4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O	238744159	DLVWQANHGFFBSF-ZTKUHGNGSA-N	862.842	4.694	5	1	KIBF	
CN1CCN(CCCNc2nc3cc([N+](=O)[O-])ccc3nc2NCc2ccc(C(F)(F)F)cc2)CC1	1857592572	HGJXMTHYMAELLY-UHFFFAOYSA-N	503.529	4.218	5	1	KIBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc([N+](=O)[O-])c([N+](=O)[O-])cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586911928	NDYZDTRLQBPRER-ASNAGGNXSA-N	658.749	4.284	5	1	KIBF	
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2[C@@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1	587313635	IGFJIZJBZQBXPK-SEECOPSQSA-N	689.695	4.005	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cnn(C)c3C)c2c1	587618427	PQJLOCARKMCQFR-UHFFFAOYSA-N	537.476	4.177	5	1	KIBF	
COc1ccc2c(c1)[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1)CC2=O	26266120	OQXYFWPXCDJWRB-KWTBFXGESA-N	580.682	4.042	5	1	KIBF	
CCCCOCCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086188	YRYDASYGZPGONW-OAQYLSRUSA-N	527.599	4.393	5	1	KIBF	
O=C1CCC2=C(C1)Oc1cc(O)ccc1[C@]21OC(=O)c2cc(C(=O)NCCCCCC(=O)NCCSC[C@H]3O[C@@H](n4cnc5c(NCc6ccc([N+](=O)[O-])cc6)ncnc54)[C@H](O)[C@@H]3O)ccc21	169722325	FVPCONRBIKWOSS-KFCIXSLCSA-N	934.985	4.325	5	1	KIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](CN3CCC(c4noc5cc(F)ccc45)CC3)C2)cc1	653798426	PMMHODXRSGYPAS-QGZVFWFLSA-N	502.568	4.155	5	1	KIBF	
CC(C)(C)OC(=O)CC[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	1857588692	UMAAXDRSHBPSDT-KRWDZBQOSA-N	512.346	4.466	5	1	KIBF	
COc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(OC)c8c1c2c(c34)c(c65)c78	26577874	REFOANMAYALWLQ-UHFFFAOYSA-N	536.448	4.481	5	1	KIBF	
COc1cc2oc3c(S(=O)(=O)NCCc4ccc(C)c(C)c4)c(OC)cc(OC)c3c(=O)c2cc1OC	49071303	GZBPWVJSQIBJGI-UHFFFAOYSA-N	527.595	4.118	5	1	KIBF	
COc1cc2c(Br)c(CN3CCC[C@H]3C(N)=O)c3cc(OC)c(OC)cc3c2cc1OC	103202408	IZUTWKFKUGEKHR-SFHVURJKSA-N	503.393	4.240	5	1	KIBF	
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@]3(C)N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)c2)CC1	963228880	OMPQXDFKIKZQCI-GIGWZHCTSA-N	547.612	4.063	5	1	KIBF	
CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NC1CCN(Cc2ccccc2)CC1	82082392	KCLUXHIATQLFCV-DEOSSOPVSA-N	521.643	4.254	5	1	KIBF	
CN1CCN(CCOCCn2c(=O)c3ccc4c5c(N6CCCCC6)cc6c(=O)n(CCOCCN7CCN(C)CC7)c(=O)c7ccc(c8c(N9CCCCC9)cc(c2=O)c3c48)c5c76)CC1	150559678	RJAGFWLMNQAKMC-UHFFFAOYSA-N	897.134	4.472	5	1	KIBF	
COc1cc2nc(N3CCN(CCNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCc3cccc(OC)c3OC)c2cc1OC	164015741	VQGBGHQVNXFNBM-UHFFFAOYSA-N	659.744	4.087	5	1	KIBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccc(Br)c2[nH]1	587264705	PSVVQJYKRMKXKB-UHLUBPPHSA-N	515.118	4.438	5	1	KIBF	
O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@]2(N1)c1cccc3c1N(CCC3)C(=O)[C@H]2C(=O)Nc1cccc([N+](=O)[O-])c1	962697114	LBVQVISQWWVEKG-SXDGJLEOSA-N	598.509	4.143	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@H]1CCCCO1	26476573	FJZZEGWNIRLCEP-LKHIEZPYSA-N	625.656	4.170	5	1	KIBF	
O=C(O[C@H]1C[N+]2(CCCOc3ccccc3O)CCC1CC2)C(O)(c1cccs1)c1cccs1	113051904	NZVIWTZMHAIHMV-UPNKGIKISA-O	500.662	4.372	5	1	KIBF	
CCCC[C@H](C(=O)NCc1ccccc1C(F)(F)F)N1C(=O)CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	206917877	FKZUDYOIUSJWJH-RTWAWAEBSA-N	520.508	4.418	5	1	KIBF	
COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCn1ccnc1[N+](=O)[O-]	299820125	FWVMKOBBMROUNK-UHFFFAOYSA-N	502.890	4.375	5	1	KIBF	
CS[C@@]1(C)C(=O)N2[C@H]3N(c4ccc5oc6cc(=O)c(N)c(C(=O)O)c-6nc5c4C(=O)O)c4ccccc4[C@@]3(c3c[nH]c4ccccc34)[C@H](O)[C@]2(SC)C(=O)N1C	197923531	JAFMWNYBHBAYHM-IXHQRXDZSA-N	792.852	4.330	5	1	KIBF	
O=[N+]([O-])c1c(Br)ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12	587170791	SIWXKMBQPSPUKP-KRWDZBQOSA-N	505.325	4.441	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]12CCc1c([N+](=O)[O-])cccc12	963068077	QBQCRLULEAFAAQ-BCQCSXDESA-N	507.543	4.263	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@@H]1CCCCO1	26486369	HSRXFCRDBFXKGT-AVPIEEAHSA-N	611.629	4.128	5	1	KIBF	
O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)C1([N+](=O)[O-])C=C3c4ccccc4N(C(=O)c4ccccc4)C32[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21	195492092	MTQUMDGNSOHMRG-JQGZMSLGSA-N	636.620	4.124	5	1	KIBF	
COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	28971007	SHBPNAQMFSSEMQ-ASDGIDEWSA-N	561.547	4.257	5	1	KIBF	
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)O/C8=C\c8cccc([N+](=O)[O-])c8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O	473086682	CHHJGGLFTSGUPZ-REODVXNFSA-N	914.055	4.167	5	1	KIBF	
COC(=O)C[C@@H]1Cc2c(c(=O)c3c(O)ccc4c5c6c(c(=O)c7c(O)ccc(c2c34)c75)[C@H](C)O[C@@H](CC(=O)OC)C6)[C@@H](C)O1	2356413075	MLRHPPKTWOMOBV-SYMSYNOKSA-N	598.604	4.437	5	1	KIBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC	4208083	PYOWPPVJIPVNQH-VFHOHQAYSA-N	539.972	4.077	5	1	KIBF	
COc1cc(N[C@@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(O)c(OC)c3)[C@H]3C(=O)OC[C@H]23)OCO4)c(C)cc1[N+](=O)[O-]	26389481	SKGROIAPSACLHQ-YSOZRZHFSA-N	564.547	4.451	5	1	KIBF	
CCCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C	28471348	PYHPKURDHXXKMH-KLJDGLGGSA-N	602.132	4.386	5	1	KIBF	
CN1CCN(CCOc2cc3nc(-c4ccc(NC(=O)/C=C/c5ccc(F)cc5)cc4)n(O)c3cc2[N+](=O)[O-])CC1	49695432	LNDMSUBUIZTBRQ-NYYWCZLTSA-N	560.586	4.266	5	1	KIBF	
CCCCc1nnc([S@@](=O)Cc2ccc([N+](=O)[O-])cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[nH]2)cc1	103213233	JCEVCNOWVJANLE-HUESYALOSA-N	585.650	4.317	5	1	KIBF	
C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N5[C@@H](O)[C@@]67[C@H]8C[C@H]9[C@@]%10(CC[N@@+]9(C)C/C8=C/C)c8ccccc8N([C@@H](O)[C@]6([C@H]1C[C@@H]32)[C@H]54)[C@H]%107	255226594	LKJAAUJOYKUJFG-DCKKUXJGSA-N	616.850	4.274	5	1	KIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c([N+](=O)[O-])ccc(O)c1C(=O)c1c(O)ccc([N+](=O)[O-])c12	587750072	GJBCUIPYLROCLE-SECBINFHSA-N	544.289	4.186	5	1	KIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1	587866952	NNNIWBWZPCEQHV-UHFFFAOYSA-N	522.827	4.456	5	1	KIBF	
CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(C(=O)O[C@@H](C)Cn4c([N+](=O)[O-])cnc4C)cc3)C2)cc1	653792945	RJQSBCKLTGILQO-SSOJOUAXSA-N	519.558	4.442	5	1	KIBF	
COc1cccc([C@@H]2[C@H]([N+](=O)[O-])[C@H](Cc3cnc[nH]3)N[C@@]23c2ccccc2-c2nc4ccccc4nc23)c1	1911574927	MLFJUBNESDQKEA-RCZLLDMCSA-N	504.550	4.229	5	1	KIBF	
CCC(=O)OC[C@H]1O[C@@H](OC(=O)C(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O[C@H]2O[C@H](COC(=O)CC)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O	2356664272	OLBGWEOTCSDWAK-RKUQBQNYSA-N	899.040	4.277	5	1	KIBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)OCc1ccccc1	587223058	LUTQRCNKBFZVJL-KYJUHHDHSA-N	620.666	4.353	5	1	KIBF	
COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1	4045963	DMEUZXSPJFDZTO-PXJZQJOASA-N	578.622	4.146	5	1	KIBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	4052270	DDYNYACBMNROTF-AHKZPQOWSA-N	535.553	4.080	5	1	KIBF	
CN(C)CCNC(=O)c1ccc(NCCN(C)CCNc2ccc(C(=O)NCCN(C)C)c3[nH]c4ccccc4c(=O)c23)c2c(O)c3ccccc3nc12	26837133	HOOFXGXTHWRVCI-UHFFFAOYSA-N	731.902	4.127	5	1	KIBF	
NS(=O)(=O)c1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3c(=S)n2Cc2ccccc2)cc1	299819025	AZRRSIDBHTXFMR-UHFFFAOYSA-N	541.636	4.100	5	1	KIBF	
C[C@@]1(c2ccc3ccc4ccccc4c3c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3	587310146	FWQMPFDFFBPRNR-ITMWZBJBSA-N	636.653	4.118	5	1	KIBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(CN3CCOCC3)c2c1	587621168	QWYVRDCBIFCZNE-UHFFFAOYSA-N	522.583	4.385	5	1	KIBF	
CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1	587665518	RZBMRNYQBSBZKB-UHFFFAOYSA-N	502.527	4.415	5	1	KIBF	
O=C(O)c1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1	962714681	VJGLAUOGLBRODK-REWPJTCUSA-N	504.392	4.342	5	1	KIBF	
CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4215534	KDRXSYJDEJBGHJ-GMWOSMDTSA-N	532.594	4.463	5	1	KIBF	
CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)s1	49882039	GRCWJEIKTAFNSO-QPLCGJKRSA-N	512.555	4.052	5	1	KIBF	
c1cc2nc3ccc4cc3cc2cc1CNCCNCCNCc1ccc2nc3ccc(cc3cc2c1)CNCCNCCNC4	96284092	WBJCYMHAFYFQCR-UHFFFAOYSA-N	612.826	4.341	5	1	KIBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](CNc1ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c1[N+](=O)[O-])C2	103232130	NSVMLZOLRAILQD-MUJYYYPQSA-N	550.613	4.261	5	1	KIBF	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O	587650936	XPFUDSCIDOOJPT-RPWUZVMVSA-N	504.520	4.338	5	1	KIBF	
O=C(N[C@H](Cc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2ccccc2[N+](=O)[O-])n1	82081094	ZQHKGFMQPRNONG-OAQYLSRUSA-N	502.552	4.240	5	1	KIBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(Cc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[nH]c4c3)cc2)CC1	587264059	JQJYUDQRFJYPNV-UHFFFAOYSA-N	543.584	4.012	5	1	KIBF	
CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620908	JWVGODMNPRSXCA-UHFFFAOYSA-N	546.602	4.465	5	1	KIBF	
CC(C)[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)c1nc2ccccc2[nH]1	2356821924	WYIMPPSRXTWMJR-GNFJTUGVSA-N	552.635	4.311	5	1	KIBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)C	26493787	WHZVXHLHCJPQEF-BSSRNLCFSA-N	569.592	4.009	5	1	KIBF	
COC(=O)c1c(Cc2cccc([N+](=O)[O-])c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620851	HRLJIXVVUKOBIU-UHFFFAOYSA-N	540.510	4.171	5	1	KIBF	
COc1ccc(-c2c3c4cc(OC)c(OCCNC(=N)N)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)cc1O	1857537266	WVYOIBCFQVCDQP-UHFFFAOYSA-N	584.585	4.318	5	1	KIBF	
O=C1c2ccccc2C(=O)N1CCc1nc2cc(Cl)c(Cl)cc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	44032072	ZDZGWUDYFBSQIV-UHFFFAOYSA-N	545.360	4.327	5	1	KIBF	
CCC1=C(C)C2=CC3=NC(=C(C)C3=C/C=C3\C=CC=CN3C)C=C3NC(=C4C(=O)N(OC)C(=O)C5=C(C)C(=CC1=N2)N=C54)[C@@H](CCC(=O)OC)[C@@H]3C	377842778	FPTTYEJZGSBYNS-GGNHTIQESA-N	698.824	6.151	5	1	KIBF	
CCCCNC(=O)CN(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C	96023011	LDAGSRRSJMCSPD-PGUFJCEWSA-N	706.841	4.316	5	3	KIBF	
COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1O	49756712	BSZWAEKKKVKXHX-GFOCBTRVSA-N	676.543	4.044	5	1	KIBF	
C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	95867184	IRKUNQWGDWYEPQ-QLVXXPONSA-N	620.728	4.432	5	1	KIBF	
COC(=O)CCC1=C(CC(=O)OC)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5CC(=O)OC)[C@]1(CCC(=O)OC)OC(=O)C[C@]41C)[C@]1(CCC(=O)OC)OC(=O)C[C@]31C	238732194	OGBJUMKGLKVVEQ-UYVQAEDUSA-N	942.972	4.392	5	1	KIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc([N+](=O)[O-])c(Br)c4C)c1)[C@@H](C2)C3=O	587413366	NBRDLOAKGPJFOY-AOMKIAJQSA-N	514.332	4.416	5	1	KIBF	
COc1cc(OC)cc([C@@H]2CC(=O)N(Cc3ccc(OC)c(OC)c3)[C@H](c3ccc(O)cc3)[C@H]2[N+](=O)[O-])c1	653739117	YCDSCLLVUDJDLV-LBNPDIFZSA-N	522.554	4.329	5	1	KIBF