smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=c1c2c(O)cc(O)c3c4c(O)cc(O)c5c(=O)c6c(O)cc(O)c7c8c(O)cc(O)c1c8c(c23)c(c54)c67	15218299	LKAUISSMFREDQI-UHFFFAOYSA-N	508.394	3.875	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3c(Cl)cnc(Cl)c3[nH]2)c([N+](=O)[O-])c1	587266718	NKQHKIUUSADJHZ-UHFFFAOYSA-N	573.390	3.802	5	1	KHBF	
O=C(O)c1ccc2c(c1)[C@H](SCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1CO2	3923151	VHJZCBQWEGCVCF-JOCHJYFZSA-N	500.554	3.987	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(COC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253655070	JNHZHWAWXANEFT-XDIUXCQRSA-N	762.813	3.536	5	1	KHBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccncc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	254135513	QIFGLWSLSZQTRM-MPQQFYCHSA-N	544.589	3.752	5	1	KHBF	
CS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc2)cc1[N+](=O)[O-]	64622523	QKWZASKYUXKQSZ-NWXNQGSNSA-N	512.584	3.837	5	1	KHBF	
CC(=O)O[C@H]1C[C@](C)(O)[C@@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccc([N+](=O)[O-])cc1	101348175	IXSWGSBIIPUDTB-MKDDCPFHSA-N	629.615	3.531	5	1	KHBF	
CCCCOC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCCCC	26188270	POURTMZUHGGLAM-JWQCQUIFSA-N	719.770	3.958	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169362512	DNTPWIYELJHBBB-NPQRMQQGSA-N	776.840	3.578	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Sc4ccc(F)cc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587294931	VNOVCCXNJGFQIU-BIUVMLSKSA-N	693.658	3.836	5	1	KHBF	
O=C(NCCCC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@H]1CCCCNC1=O)OCc1ccccc1	104963920	SOWJANNLIFAAOB-GOTSBHOMSA-N	622.704	3.698	5	1	KHBF	
CCO[P@](=O)(Cc1ccc(Nc2ncc([N+](=O)[O-])c(=Nc3ccccc3C(=O)NC)[nH]2)cc1)N1CCOCC1	1857753992	ISIFJOGLNBZMQC-LDLOPFEMSA-N	555.532	3.715	5	1	KHBF	
COc1ccc(CCNc2ccc([C@@H](CC(N)=O)NC(=O)c3cc(OC)ccc3OC)cc2[N+](=O)[O-])cc1	15935802	CKVCOGZVNQAPAL-HSZRJFAPSA-N	522.558	3.622	5	3	KHBF	
CO[C@@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)[C@H](O)[C@H]1O	27519877	FDNDTODTDPFKCS-PNONDLBJSA-N	556.402	3.606	5	1	KHBF	
CC(C)C[C@@H](NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(=O)N1CCN(C)CC1	44351669	ONCYAVRUVQCAEG-HSZRJFAPSA-N	592.700	3.960	5	1	KHBF	
O=C(N[C@H](Cc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1	82080925	YZLBISSJYUOQMH-OAQYLSRUSA-N	507.616	3.662	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3ccc(Br)cc3c3c4c(c5c6cc(Br)ccc6[nH]c5c32)C(=O)N(C)C4=O)[C@@H](O)[C@H]1O	253632905	DEZGMCLFUSECBD-CKJCMZDRSA-N	673.314	3.806	5	1	KHBF	
O=C(NCCCN1CCCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4054281	RBAOXRQLGCHIDH-FYYLOGMGSA-N	500.939	3.671	5	1	KHBF	
CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4055933	RJXCZAKPFKAFFM-JUYXMVKISA-N	505.955	3.880	5	1	KHBF	
COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(=O)c(OC)ccc12	27713079	VXEUSIMJXPSLTD-QUURXOELSA-N	508.527	3.556	5	1	KHBF	
O=C(OC[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	95556951	NDETXRJGONENPG-ZGFBMJKBSA-N	557.515	3.997	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@](=O)(NCCN)Oc4ccc([N+](=O)[O-])cc4)C=C[C@@]31CCN(C)C2	49695092	IWOJDONSKKRNGD-ZDXQGDSVSA-N	530.518	3.518	5	1	KHBF	
COc1cc2c(=O)c3c(NCCCN(C)CCCN4C(=O)c5cccc6cc([N+](=O)[O-])cc(c56)C4=O)ccc4c(=O)n(CCN(C)C)c(=O)n(c2cc1OC)c43	150586011	JKOQPESMYFGRLS-UHFFFAOYSA-N	763.808	3.626	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc(COc4ccc([N+](=O)[O-])c(F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587148471	IGGQCHKABWQJLE-UHFFFAOYSA-N	552.544	3.788	5	1	KHBF	
CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1	28707012	JHUKJMFMSFZCSW-KISUKSLOSA-N	578.409	3.834	5	1	KHBF	
COc1ccccc1[C@]1(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)N1C(C)=O	961781409	KBCMQSKRPUBURG-WQDXIGEJSA-N	622.678	3.781	5	1	KHBF	
CC[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)CC	26816425	FSOHMFCAJUTNFT-KXTAGPOFSA-N	719.770	3.955	5	1	KHBF	
O=C(c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C(F)(F)P(=O)(O)O	28528662	CFHYGXLSXLRHJZ-UHFFFAOYSA-N	540.437	3.939	5	1	KHBF	
Cc1c(F)ccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	587265669	HAKSDPVLYRVSEY-UHFFFAOYSA-N	535.529	3.548	5	1	KHBF	
CC(C=CC=CC=CC=CC=CC=CC=C(C)C(=O)N[C@H](C(=O)O)[C@H](O)C(N)=O)=C[C@H]1N=C(C=Cc2ccc[nH]2)O[C@H]1C	2356716194	GPQNFPNWHXLGOB-NKSREFKXSA-N	586.689	3.859	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CF)[C@H](O)[C@@H](O)[C@@H]1O	253638514	LEHQLDQOIPATGT-XXRAGHFFSA-N	578.471	3.552	5	1	KHBF	
CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)cc1OCC	587669498	NXKNCMAWAZRYKH-OAHLLOKOSA-N	507.503	3.876	5	1	KHBF	
C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(C(=O)O)c3ccc([N+](=O)[O-])cc3)c(O)c2C(=O)O1	962933979	IBZGPLQXLLAVFH-VLZANYDYSA-N	580.933	3.535	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@H]1CCCO1	26471534	SWFDFDYYLHEXCU-JWIFEJHCSA-N	597.602	3.738	5	1	KHBF	
CC[C@@]1(OC(=O)COc2ccc([N+](=O)[O-])cc2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	28243143	ZILFZOIYIPXROA-NDEPHWFRSA-N	527.489	3.618	5	1	KHBF	
Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc5cccs5)C(=O)O)c(F)c4)cc3c2c(=O)[nH]1	49604911	RGYTVXGUIYBZMT-SVBPBHIXSA-N	659.696	3.973	5	1	KHBF	
CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@H](C(N)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715740	UJPDEWMBLYXTHS-XTEPFMGCSA-N	589.693	3.632	5	1	KHBF	
CCOC(=O)Cn1c(=O)nc2n(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc3nc-2c1=O	13755545	AEPBBLXFTYMALN-UHFFFAOYSA-N	512.366	3.648	5	1	KHBF	
Cc1cc2[nH]c([C@H](N)Cc3cc(I)c(O)c(I)c3)nc2cc1[N+](=O)[O-]	587179025	CKKMTZAOUOLWBF-LLVKDONJSA-N	564.121	3.937	5	1	KHBF	
Cc1c(O[C@H](C)[C@@]2(C)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)ccc2c1oc(=O)c1ccccc12	587312646	BOUMWESKAHLHFA-CZXYQDAHSA-N	712.704	3.690	5	1	KHBF	
CCOc1ccc(-c2nn(C(=O)[C@H](C)n3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)cc1OCC	587669496	NXKNCMAWAZRYKH-HNNXBMFYSA-N	507.503	3.876	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)c1ccccc1	4204483	DBRAKTHLURFTNL-RJWMVNQGSA-N	519.510	3.664	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc(C4CCN(c5ccc([N+](=O)[O-])c(C(N)=O)c5)CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587263577	VCRGMHPZLYOAMN-UHFFFAOYSA-N	630.687	3.553	5	1	KHBF	
C[C@](O)(CS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857575689	BCTVGFSSPOQYIC-INIZCTEOSA-N	516.372	3.676	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Oc4ccccc4C(=O)N4CCCC4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587296606	APNUQPNVFHSAQF-KKYFWQMWSA-N	756.717	3.574	5	1	KHBF	
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@]2(C(=O)Nc3c([N+](=O)[O-])cc(F)cc32)N1C(C)=O	963315035	AVDJTJFQIVAOSZ-TUMHVKJDSA-N	763.713	3.733	5	1	KHBF	
COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2cc(N)cc([N+](=O)[O-])c2)ccc1O	49757054	CNQITICOVLKEBJ-GDZAYFCTSA-N	646.561	3.718	5	1	KHBF	
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)O[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@H]12)OCO3	103206920	UTLOYCVTEIDWHM-FNJQCAKCSA-N	621.551	3.969	5	1	KHBF	
COc1cc(O)c2c(=O)c3ccc(O)c(O[C@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@@H]4O)c3[nH]c2c1	14612721	LCGFAZIBUURPDA-RRPNLBNLSA-N	517.490	3.860	5	1	KHBF	endogenous,in-man
CN(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	35874131	KCFRDUOXAJKFFK-SANMLTNESA-N	522.512	3.737	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@](=O)(OCCO)Oc4ccc([N+](=O)[O-])cc4)C=C[C@@]31CCN(C)C2	49708350	KPPVPGHKOBVLQY-DVGRNYFXSA-N	532.486	3.979	5	1	KHBF	
CCCCCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C3)c1	17307198	RECADHIKMKJDLY-HOFKKMOUSA-N	566.571	3.593	5	3	KHBF	
COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCCN2CCCC2=O)c([N+](=O)[O-])cc1OC	4320574	WPVSCZXPZHCCRH-UHFFFAOYSA-N	512.494	3.815	5	1	KHBF	
CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1cccc(OC(F)(F)F)c1	104959645	DCSOTWPLESNVFY-GOSISDBHSA-N	597.597	3.859	5	1	KHBF	
CCN1CCN([C@@H](c2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2)[C@H](c2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2)N2CCN(CC)CC2)CC1	169303762	KMLFCYIFDZAXFV-KKLWWLSJSA-N	786.854	3.749	5	1	KHBF	
CC(C)C[C@H](NS(=O)(=O)c1ccc(N)cc1)c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1	1772621927	FUULHDPICIEDBJ-QHCPKHFHSA-N	507.572	3.942	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1OC[C@H](CO)C1(c2ccc(O)cc2)CCCC1	2356365543	NSKWFBVNXBJYAR-MDMXKHDRSA-N	657.716	3.524	5	1	KHBF	
COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	64549654	QYUROEYAFJQVKH-NRAUDTLTSA-N	559.575	3.931	5	1	KHBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715695	QGTFDZFDVRWNAC-VSGBNLITSA-N	590.677	3.929	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)[C@@H](O)[C@H]1O	253685475	FDNDTODTDPFKCS-SRWIDUMYSA-N	556.402	3.606	5	1	KHBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1	587265032	BPRRYPOOQAZMGF-ZUOKHONESA-N	599.543	3.836	5	1	KHBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC	4205102	TVPNXXYMEZVHIY-LADGPHEKSA-N	516.982	3.959	5	1	KHBF	
CCOC(=O)COc1cc(-c2cc(=O)c3c(O)cc(OCC(=O)N4CC[N+]([O-])(Cc5ccc(OC)c(OC)c5OC)CC4)cc3o2)ccc1OC	28703040	QPOZLLBNUYMPBX-UHFFFAOYSA-N	708.717	3.878	5	1	KHBF	
COc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)c3csc(-c4ccccc4[N+](=O)[O-])n3)C2)c1OC	82081267	AESIAKRTQMQLHB-QGZVFWFLSA-N	510.572	3.904	5	1	KHBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1	587265532	FXETZHDWDKNECQ-XRHLQHRESA-N	588.625	3.913	5	1	KHBF	
CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(F)cc2[N+](=O)[O-])c2cccc(Br)c2CCN1C	963269236	GRDKXRRBVAVXLZ-QHCPKHFHSA-N	523.355	3.970	5	1	KHBF	
O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	1911580983	XKQQKKNZEUGYPX-IZLXSDGUSA-N	624.658	3.732	5	1	KHBF	
NCCCNCCCCNCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1	42965830	SDEHPJPFJLUROM-UHFFFAOYSA-N	591.734	3.953	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253666840	QSDYWKIHXOZPDJ-DIZBMNHISA-N	790.867	3.969	5	1	KHBF	
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)N2CCOCC2)c([N+](=O)[O-])c1	1772590276	BOOGWAMXFURMPS-LGPLSSKUSA-N	521.530	3.726	5	1	KHBF	
COc1cc2nc(N3CC[C@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc(NCCCn3ccnc3)c2cc1OC	105133384	WXYZFUXCQBLLFX-IBGZPJMESA-N	560.615	3.571	5	1	KHBF	
CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[N+](C)([O-])CC5)ccn34)c12	117877249	ORWFYKVVNFEZBW-UHFFFAOYSA-N	568.682	3.889	5	1	KHBF	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1	653793662	KTIOIWKPYJUSTA-JOCHJYFZSA-N	506.475	3.563	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3cccc([N+](=O)[O-])c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	29206889	DVGHBZUWGZXEEF-QNMIOERPSA-N	534.521	3.812	5	1	KHBF	
NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2ccnc2[N+](=O)[O-])cc1	473179062	BVCAMMFFQYWHOG-UHFFFAOYSA-N	513.539	3.966	5	1	KHBF	
O=[N+]([O-])c1cccc(-c2nnc(NCCCN3CCN(c4ncccn4)CC3)c3cc4ccccn4c23)c1	49066693	DDMRQLQHDIEXGM-UHFFFAOYSA-N	509.574	3.872	5	1	KHBF	
CCNc1nc(N2CC[C@@H](NC(=O)CCCc3ccc([N+](=O)[O-])cc3)C2)nc2cc(OC)c(OC)cc12	82119239	GVSCUOAHDLZXRE-GOSISDBHSA-N	508.579	3.705	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	253667046	KFQWDABNYBDAML-YXFUQEGNSA-O	633.722	3.877	5	1	KHBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577098	QXSMBRANAQTBSZ-SSFMOWBYSA-N	537.521	3.979	5	1	KHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1	587850388	PQKZUMMFBVQTHW-GJGGQYFOSA-N	553.406	3.882	5	1	KHBF	
Cc1cc(O)c2c(O)c3c(O)cc(=O)c(-c4c(=O)cc(O)c5c(O)c6c(O)cc(CO)oc6cc45)c3cc2o1	2356344101	ZPDYKNYANXNDIE-UHFFFAOYSA-N	530.441	3.907	5	1	KHBF	
CN(C)CCCCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086182	HSODSGHYHDSOBU-OAQYLSRUSA-N	526.615	3.919	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C\c5ccc([N+](=O)[O-])cc5)[C@H](C2)N(CC2CC2)CC[C@]314	100576049	HIVXXDSZTCJSFW-FWRJRFSNSA-N	529.593	3.574	5	1	KHBF	
O=C(NCCCC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCNCC1)OCc1ccccc1	104964141	JSHZNUYCILNIGS-XMMPIXPASA-N	594.694	3.735	5	1	KHBF	
COc1ccc(OC)c(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)c1	587314984	NRKZEBWJEJPWBE-QOJNNFNUSA-N	735.720	3.714	5	1	KHBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@H](C2(c4ccc(O)cc4)CCCC2)[C@@H]1O)[C@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@@]3(O)CO	2356565337	ACAPZJJFQZHIQT-ODTFSHFKSA-N	752.861	3.891	5	1	KHBF	
COc1cc2oc3c(S(=O)(=O)NCc4ccc(F)cc4)c(OC)cc(OC)c3c(=O)c2cc1OC	49111423	GTIXGRYGQGNEOV-UHFFFAOYSA-N	503.504	3.598	5	1	KHBF	
C[C@](O)(CS(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857616201	UJHHXKBOUJWXEV-INIZCTEOSA-N	516.372	3.676	5	1	KHBF	
O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCn1c[n+](Cc2ccc([N+](=O)[O-])cc2)cn1	72106800	DVOPAYXUPOTWKQ-UHFFFAOYSA-N	521.351	3.729	5	1	KHBF	
COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1[nH]c(C)c(C(=O)OC)c1C	587620965	LGLHRNARXNWDAX-UHFFFAOYSA-N	584.563	3.635	5	1	KHBF	
COc1cc(O)c2c(=O)c3ccc(O)c(O[C@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@H]4O)c3[nH]c2c1	14612723	LCGFAZIBUURPDA-SVBPBHIXSA-N	517.490	3.860	5	1	KHBF	endogenous,in-man
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cn(C(=O)CNc2ccc([N+](=O)[O-])cc2C)c2ccccc12	73223952	NDJWXJZDMUUAFK-HSZRJFAPSA-N	507.572	3.966	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587282370	NOKGBTOZPOALIF-QVOCDDILSA-N	722.497	3.510	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@H](CO)C(F)(F)[C@@H](O)[C@@H]1O	169349273	DWXJZYOAYLKQST-AQDKURDNSA-N	596.461	3.849	5	1	KHBF	
CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C(C)C)cc1	586933491	SUVFFDFFAUZTMN-KRWDZBQOSA-N	524.397	3.545	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC	4205105	TVPNXXYMEZVHIY-UPVQGACJSA-N	516.982	3.959	5	1	KHBF	
Cc1nc2ccccc2c2ccc(C[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc3ccc4c(C)nc5ccccc5c4c3)C(=O)O)cc12	49853550	VPJSDQPAMJFHKK-FJQKOURKSA-N	656.743	3.621	5	1	KHBF	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1	66251886	FCIKHHKIRCCKKR-PJCMVOJSSA-N	607.593	3.966	5	1	KHBF	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cn(CCO)c4c(cc(O)c5ncccc54)c3=O)cc2)cc1	103290672	HHNBLPQNIKQTHQ-UHFFFAOYSA-N	544.589	3.609	5	1	KHBF	
COC(=O)c1ccc(Oc2ccccc2[C@@H]2c3cc(O)ccc3C[C@@H](C(N)=O)N2C(=O)[C@H](Cc2ccccc2)NC(C)=O)c([N+](=O)[O-])c1	961781705	GRFKZNNLBBJETM-MHMRIHGRSA-N	652.660	3.955	5	1	KHBF	
COCCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cc([N+](=O)[O-])c2cccnc2c1O	473106830	XTNPQSRETUCLAG-IBGZPJMESA-N	504.587	3.817	5	1	KHBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	767713	BXDIRNROJLDOFL-RSXGOPAZSA-N	519.510	3.791	5	1	KHBF	
C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N+]4(C)CCCC[C@@H]4CO)ccc2-3)CCCC[C@H]1CO	38146354	BKDMICIBSRKEST-MHENXPSDSA-P	578.754	3.538	5	1	KHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	103286119	WJKPARWZIFRSFI-NDEPHWFRSA-N	590.677	3.716	5	1	KHBF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	586937901	HBINUUBZAGBUFU-CYBMUJFWSA-N	559.560	3.618	5	1	KHBF	
CN(C)C1=N[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2-c2ccc(Cl)cc2Cl)NC(=N)N1	1857534319	HMBPAYDICHSQNT-GOSISDBHSA-N	518.321	3.706	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc4ncccc4c3[nH]2)c([N+](=O)[O-])c1	587265628	GPDVQXWSZJMIOF-UHFFFAOYSA-N	554.560	3.649	5	1	KHBF	
COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(=O)c5cc(OC)ccc5oc4c3)nn2)c(OC)c1	1857585462	PUCVWBSPZHQJNW-UHFFFAOYSA-N	574.546	3.707	5	1	KHBF	
Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	586952198	DJWOAFYVICEUPJ-KRWDZBQOSA-N	509.972	3.977	5	1	KHBF	
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)c1	26576350	MXFUFEKLWANXJH-UHFFFAOYSA-N	547.081	3.585	5	1	KHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1	587847075	FQEXREBGFFFPTA-DAOPMYJZSA-N	553.406	3.616	5	1	KHBF	
COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]4C[C@@H](Cn5c4cccc5=O)[C@H]12)CC3	2356826687	ARVXNMOFUPPDOX-OCIYHRQSSA-N	565.630	3.996	5	1	KHBF	
O=C(NCCCC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@H]1CCCCNC1=O)OCc1ccccc1	104963544	AYDPYKKCVNZZDQ-ZEQRLZLVSA-N	622.704	3.698	5	1	KHBF	
O=c1c2c(O)cc(O)cc2oc2c(O)cc(-c3c(O)cc(O)c4c(=O)c5c(O)ccc(O)c5oc34)c(O)c12	238788436	YHHRQXWLCFWQFG-UHFFFAOYSA-N	518.386	3.518	5	1	KHBF	
COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	4053616	BXDIRNROJLDOFL-AZGAKELHSA-N	519.510	3.791	5	1	KHBF	
CC(=O)NCCNC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1	82135918	DSHNRZNKZOVLKQ-UHFFFAOYSA-N	502.453	3.549	5	1	KHBF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nnc(SCC(=O)c5ccc([N+](=O)[O-])cc5)s4)CC3)cc21	103184563	WUJCJNBCKGELHG-UHFFFAOYSA-N	598.638	3.920	5	1	KHBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(COc5ccc([N+](=O)[O-])cc5C=O)[nH]c4c3)cc2)CC1	587270008	UXEAZYUPCSEOAK-UHFFFAOYSA-N	542.596	3.905	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCN[C@@H](C)c3ccc([N+](=O)[O-])cc3)[C@H](C)O2)[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)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O	299811348	LDBBCMGSPCKPCY-GVYKUKEFSA-N	983.207	3.939	5	1	KHBF	
Cc1ccc([C@]2(c3cccc([N+](=O)[O-])c3)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)nc1	963688728	VGAMPGJHWBCYOE-HEWUYBSCSA-N	552.587	3.704	5	1	KHBF	
O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nnn[nH]2)c1)c1cc(C(=O)N2CCCCCCC2)cc([N+](=O)[O-])c1	84654212	XQFIJNYDGGSFRL-NSOVKSMOSA-N	626.674	3.522	5	1	KHBF	
Cc1ccc(C=O)cc1Oc1ncnc(Oc2cc([C@@H]3c4[nH]cnc4C[C@H]4C(=O)N5CCC[C@H]5C(=O)N43)ccc2C)c1[N+](=O)[O-]	963212043	CPUQQJRAWANINC-AOJNWGRGSA-N	609.599	3.969	5	1	KHBF	
COc1ccc(OC)c(COc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2S(N)(=O)=O)c1	1857754366	OMJOXPNMNLJYDE-UHFFFAOYSA-N	521.935	3.744	5	1	KHBF	
CCN(CC)c1ccc(-c2nn(C(=O)CN(C)c3ccc([N+](=O)[O-])c4nonc34)c(=O)c3ccccc23)c(O)c1	587667891	UFJACOGDKKQCDZ-UHFFFAOYSA-N	543.540	3.836	5	1	KHBF	
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])CC2	44031928	SSLIGADDBHNFKQ-SFHVURJKSA-N	542.566	3.622	5	1	KHBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723523	HLARRBJEHUGPFZ-PZJWPPBQSA-N	512.431	3.776	5	1	KHBF	
CC(=O)OC[C@@H]1O[C@H](n2cc(CNc3c4ccccc4nc4c3oc3ccccc34)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	1772616025	MWXMINQVWAFEFQ-FWXMHCKTSA-N	645.625	3.593	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1OC[C@@H](CO)C1(c2ccc(O)cc2)CCCCC1	2356745334	SMRBJHIDMYGOLV-VWLKEMDUSA-N	671.743	3.914	5	1	KHBF	
COC(=O)CN1CCOCCOCCOc2cc(-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)ccc21	28342575	KTHCGEANQQWNBX-UHFFFAOYSA-N	541.503	3.954	5	1	KHBF	
COC(OC)[C@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](N(Cc2ncc[nH]2)c2ccc(Br)cc2)[C@@H]1O	29398346	JFFOXJFVRJVPMX-FUPPJEDESA-N	533.379	3.959	5	1	KHBF	
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC5)CCN(C)CC4)c3Cl)c2n1	95612677	WJEPXRSGCSZBGV-PMERELPUSA-N	777.840	3.965	5	1	KHBF	
Nn1c(SC[C@]2(c3ccccc3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1	963237799	UTPACXNPNXHPCJ-UFHPHHKVSA-N	553.604	3.750	5	1	KHBF	
COc1ccc2c(c1)c(CC(=O)NS(=O)(=O)c1ccc(N3CCN(C)CC3)c([N+](=O)[O-])c1)c(C)n2-c1ccc(C)cc1	1772616934	PMDMITWKVFZWHK-UHFFFAOYSA-N	591.690	3.964	5	1	KHBF	
CO[C@@H](CN(c1ccccc1CO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)n1cnc2c(Cl)nc(Cl)nc21	66079851	XTQGDCJCUQVNJQ-KRWDZBQOSA-N	553.384	3.574	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(SC4CCCCC4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587317197	ZLPIWZZMLTULFP-LMWQPGMKSA-N	681.716	3.970	5	1	KHBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577100	QXSMBRANAQTBSZ-YQOHLQJCSA-N	537.521	3.979	5	1	KHBF	
O=C1N[C@@H]2[C@H](CCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNc3ccc(-c4[nH]c5ccccc5c(=O)c4O)cc3[N+](=O)[O-])SC[C@@H]2N1	1772622816	ZELHMSIJUWMTIZ-RYUVBBIPSA-N	964.101	3.639	5	1	KHBF	
CC[C@H](C)[C@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203672	GTCWMNMGHXBICB-YIQPMRTKSA-N	590.637	3.801	5	1	KHBF	
COc1cc(CNc2ccc(C(=O)NCCN(C)C)c3[nH]c4c(OC)cccc4c(=O)c23)cc(OC)c1OC	1772597450	MNBQQQHSQWEGMW-UHFFFAOYSA-N	534.613	3.619	5	1	KHBF	
CC[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)CC	26816435	FSOHMFCAJUTNFT-MHOPESGUSA-N	719.770	3.955	5	1	KHBF	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1	66252587	QCDHFJFUNFNDIT-AAFXAJRRSA-N	589.603	3.826	5	1	KHBF	
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	586939665	CTCICQLSQZMPOV-DEOSSOPVSA-N	500.584	3.610	5	1	KHBF	
Nc1ccccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82075412	BKAQKEVOWXFRIP-NRFANRHFSA-N	501.568	3.958	5	1	KHBF	
O=C(O)c1ccc(Cn2cc(-c3ccc(-c4cccc(C(=O)N5CCOCC5)c4)cc3)nn2)c([N+](=O)[O-])c1	84653563	MODPZAAGKCTXOM-UHFFFAOYSA-N	513.510	3.739	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4153749	JLGUHZXFVYHSGP-CDSRXRBVSA-N	568.583	3.940	5	1	KHBF	
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	28371130	ZAUXSCWLOFKDLR-OBWQVAEMSA-N	673.808	3.926	5	1	KHBF	
COc1onc(-c2c(F)cccc2F)c1C(=O)N1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)CC1	28867622	MJVVCDZRFCQJIJ-UHFFFAOYSA-N	612.546	3.662	5	1	KHBF	
CCNC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715751	NCZMUOVWUNLZDT-PXJZQJOASA-N	603.720	3.892	5	1	KHBF	
Nc1c([C@@]2(c3ccc(Br)cc3)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)oc2cc([N+](=O)[O-])ccc12	587281700	IMNYYWMJSHNRBX-PULWVQDRSA-N	777.533	3.839	5	1	KHBF	
CCOC(=O)C1=C(C)NC(CN2CCN(c3ccccc3)CC2)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	49783979	NBSLNZAATOXWOZ-AREMUKBSSA-N	534.613	3.758	5	1	KHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C[N+](=O)[O-])c1ncn(Cc2ccccc2)c1[N+](=O)[O-]	587578383	WNVJFRVDGJCUQE-NLFFAJNJSA-N	502.439	3.679	5	1	KHBF	
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1	13878922	WOVIIODUEVTMFY-HXUWFJFHSA-N	512.364	3.640	5	3	KHBF	
COc1ccc(CCNC(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1	253982876	JNTGSIIBFRFFDE-LSYYVWMOSA-N	500.555	3.567	5	3	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC	504256451	PXLMSFXTMZAFQK-PGTVGAIHSA-N	562.531	3.755	5	1	KHBF	biogenic
COc1cc2c(=O)oc3c(OC)c(O[C@@H]4C[C@H](OC(=O)c5cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c5)[C@H](OC(C)=O)[C@H](COC(C)=O)O4)cc4c(=O)oc(c1OC)c2c34	2356639589	VNUQKLQMVUSMET-UODPJZIASA-N	852.707	3.506	5	1	KHBF	
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cncc([N+](=O)[O-])c2[nH]1)OCc1ccccc1	587221711	IYXQOBRAZJZNNV-CLJLJLNGSA-N	621.654	3.748	5	1	KHBF	
COc1ccc(Br)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2	28949884	BGGCZYSOBFCLJX-QZTZHPFYSA-N	543.462	3.750	5	1	KHBF	
Cc1onc(-c2c(F)cccc2F)c1C(=O)N1CCN(c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC1	29127238	JIECCEAEUBBQML-LBPRGKRZSA-N	613.505	3.904	5	1	KHBF	
CCCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	169712102	BLCYLNBCMXXJIU-QPQMVVSWSA-N	555.565	3.969	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906141	BWNPGHQRDSVGGF-QIJKNCKESA-N	581.666	3.868	5	1	KHBF	
CCn1nc(C)c(C(=O)c2c(C(=O)OC)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1C	587621270	STQSBLLSVODXKL-UHFFFAOYSA-N	555.569	3.736	5	1	KHBF	
COC(=O)c1cccc2nc3c([C@H](OC(=O)CNC=O)[C@@H](CCCC(C)C)C(=O)OC)cccc3nc12	2356794518	HZCVMBGWEZESSG-CLOONOSVSA-N	509.559	3.515	5	1	KHBF	
COc1ccc(CCNC(=O)[C@]23CN(Cc4ccccc4)C[C@@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1	59785726	JNTGSIIBFRFFDE-NAKRPHOHSA-N	500.555	3.567	5	3	KHBF	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1	66251887	RDTRKHFIBJBHPW-UZGAGFRRSA-N	607.593	3.966	5	1	KHBF	
COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3csc(-c4ccccc4[N+](=O)[O-])n3)C2)c1OC	82081268	AESIAKRTQMQLHB-KRWDZBQOSA-N	510.572	3.904	5	1	KHBF	
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)cc1	587284978	JEFAFBVOCFZKPU-XJSBJYOESA-N	692.073	3.710	5	1	KHBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1	82080924	YZLBISSJYUOQMH-NRFANRHFSA-N	507.616	3.662	5	1	KHBF	
CC[C@H](COC)Nc1nc(N(C)CCN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12	105113307	YFUSTKAJWNLGHM-GOSISDBHSA-N	540.621	3.909	5	1	KHBF	
CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203670	GTCWMNMGHXBICB-VAPRHRDRSA-N	590.637	3.801	5	1	KHBF	
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	2356325854	RNSJXGZIFVKGTF-AYRHNUGRSA-N	530.625	3.942	5	1	KHBF	
C[C@H](CNCCNC[C@@H](C)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	3916335	BGBVDVNHKBMBEB-RTBURBONSA-N	605.651	3.848	5	1	KHBF	
COc1cc(Nc2nccc(N3CCC[C@H](C(=O)NCc4ccc([N+](=O)[O-])cc4)C3)n2)cc(OC)c1OC	84632340	GFXJBCQRPLHZFL-SFHVURJKSA-N	522.562	3.687	5	1	KHBF	
COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccc1OCn1cc([N+](=O)[O-])cn1	962713224	TZRBOTQMHHAVPO-YLJYHZDGSA-N	510.400	3.683	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC(C)C	26480810	AFBKOXIBLKMVCJ-GPSDDGMOSA-N	555.565	3.967	5	1	KHBF	
N=C(N)c1ccc(CNC(=O)CN2C(=O)[C@H](NS(=O)(=O)Cc3ccccc3)CSc3ccc(-c4cccc([N+](=O)[O-])c4)cc32)cc1	49650372	MKOKGJHRYYPFKU-HHHXNRCGSA-N	658.762	3.789	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cccc12	586938771	XPYXFBMHTUFDRI-KRWDZBQOSA-N	603.503	3.736	5	1	KHBF	
Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)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	587298827	SJHDSNLENOEHJW-CYQWVMASSA-N	710.689	3.542	5	1	KHBF	
NC(=O)[C@@H]1CSC[C@@]12c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963228866	FEPMEIXMQBJNTA-GOGYHYQUSA-N	620.596	3.513	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccccc3[N+](=O)[O-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	29209640	MREJHNNBUHAQNO-YSQWDHOWSA-N	534.521	3.812	5	1	KHBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Nc1ncnc(Nc3ccc(S(C)(=O)=O)cc3)c1[N+](=O)[O-])C2	101660706	IAPZCCMSLGUWJE-IRXDYDNUSA-N	518.596	3.874	5	1	KHBF	
O=c1c2cc(NCCN3CCCCC3)c3c(=O)n(CCN4CCCCC4)c(=O)c4cc(NCCN5CCCCC5)c(c(=O)n1CCN1CCCCC1)c2c43	29041150	JRQOQJGJMQCINK-UHFFFAOYSA-N	740.994	3.833	5	1	KHBF	
CCCc1c(OC[C@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2CC)ccc(C(C)=O)c1O	169338668	ALAHVBMQAJLDGZ-CQSZACIVSA-N	501.488	3.649	5	1	KHBF	
CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	27627142	ZHIOWBPYEDMEAK-SSEXGKCCSA-N	588.753	3.677	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3ccc(Br)cc3c3c4c(c5c6cc(Br)ccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](O)[C@H]1O	253632909	DEZGMCLFUSECBD-NABAQYPHSA-N	673.314	3.806	5	1	KHBF	
COc1ccc(CCC[N+](C)(CCCc2ccc(OC)cc2)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1	73197382	YHZPNIXPVVDIGB-UHFFFAOYSA-O	542.104	3.754	5	1	KHBF	
COc1cc(Nc2nccc(N3CCC[C@H](C(=O)NCc4cccc([N+](=O)[O-])c4)C3)n2)cc(OC)c1OC	84616841	PZZSEHAIVIYFLT-SFHVURJKSA-N	522.562	3.687	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@H](CO)[C@@H](F)[C@@H](O)[C@@H]1O	169367565	SWORYDJCKUWKPZ-MGYYUHSGSA-N	578.471	3.552	5	1	KHBF	
O=C(COc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CC[C@H](NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)CC1	621476340	AUYSNCPDYSYQOE-HDJSIYSDSA-N	541.344	3.811	5	1	KHBF	
O=C(N[C@H](COCc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104967792	UODBYNNSIHMSTA-HSZRJFAPSA-N	537.642	3.636	5	1	KHBF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(Cc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[nH]c4c3)cc2)CC1	587263819	FJVCHVCORFEIFL-UHFFFAOYSA-N	529.557	3.970	5	1	KHBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1	587267764	QEDIEBUIKTZXIU-ZDUSSCGKSA-N	513.497	3.508	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(COC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169355705	JNHZHWAWXANEFT-NBOUBAEVSA-N	762.813	3.536	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1	587263103	LSZMWSWKFIVGRT-UHFFFAOYSA-N	550.597	3.763	5	1	KHBF	
COc1ccccc1[C@@]1(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)N1C(C)=O	961781408	KBCMQSKRPUBURG-HGSAKIFSSA-N	622.678	3.781	5	1	KHBF	
CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(Cc1ccc([N+](=O)[O-])cc1)C(=O)O	963077543	QQRMESVFQFXAHS-IZVMNLJQSA-N	539.541	3.596	5	1	KHBF	
COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1ccc(OCn2cc([N+](=O)[O-])cn2)c(OC)c1	963184594	HBPUPBDZKROQKV-RUZDIDTESA-N	510.547	3.594	5	1	KHBF	
COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	767340	PWLBLEZSIRNRSD-ZEQKJWHPSA-N	519.510	3.791	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O	4204615	UFQGZYUVCYATRW-ZNLUXHQJSA-N	500.939	3.524	5	1	KHBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CNC[C@@H]2N(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	29054837	WGPAKSJITUSSEK-KYJUHHDHSA-N	651.723	3.925	5	1	KHBF	
CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	105175588	GLQSSXHKXKFTAV-SYMSJMEQSA-N	506.607	3.521	5	1	KHBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Br)c2[nH]1	587263995	IUVJWLLRIHJEPP-KSBSHMNSSA-N	516.106	3.833	5	1	KHBF	
Nc1c([C@]2(c3ccc(Br)cc3)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)oc2cc([N+](=O)[O-])ccc12	587281701	IMNYYWMJSHNRBX-WKXXMIBBSA-N	777.533	3.839	5	1	KHBF	
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@]2(C(=O)Nc3c([N+](=O)[O-])cc(F)cc32)N1C(C)=O	963315032	AVDJTJFQIVAOSZ-MSNOHVEDSA-N	763.713	3.733	5	1	KHBF	
COC(=O)c1cc(OC)cc(O)c1C(=O)c1cc(C(C)=O)c2oc3cc(OC)cc(C(=O)OC)c3c(=O)c2c1	1772622403	XMUOAYNYEUGVJF-UHFFFAOYSA-N	534.473	3.676	5	1	KHBF	
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)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@]1(C)O	1857752905	DZHCJKGUDKSPON-YIHJNISJSA-N	989.086	3.683	5	1	KHBF	
CO[C@H]1[C@@H](N(C)C(=O)CN)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	3924535	SMZYTCQRZVNFFJ-PVAPRNRXSA-N	523.593	3.552	5	1	KHBF	
CSc1ccc(S(=O)(=O)NCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1[N+](=O)[O-]	586941861	XNGORGIZDAYVBK-UHFFFAOYSA-N	620.652	3.594	5	1	KHBF	
O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4211213	FVSSBRQJQHFRNA-APTRMMRNSA-N	509.902	3.919	5	1	KHBF	
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[N+]([O-])(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1	13582307	NWGXAOKKVYGEMQ-KAYWLYCHSA-N	525.093	3.571	5	1	KHBF	
CO[C@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)[C@H](O)[C@@H]1O	38151908	FDNDTODTDPFKCS-WZSICTCCSA-N	556.402	3.606	5	1	KHBF	
C[C@H]1CN(c2cnn(C/C=C\c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)c2Cl)C[C@@H](C)N1	206759779	RVZBNFXGXSYZFD-FEFURNDJSA-N	522.993	3.957	5	1	KHBF	
COCc1ccc2c(c1)c1c3c(c4c5cc(COC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O	29309189	MDAFGVXLBFQEJH-OJXBSAKDSA-N	555.587	3.948	5	1	KHBF	in-vivo
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1	653793645	HZKRIAYPKCGAPE-IQMFZBJNSA-N	520.502	3.951	5	1	KHBF	
Cc1cc2c(cc1O)[C@](C)(c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-])N[C@H](C(=O)O)C2	963471171	MVWGTZGHTFPVKR-KDYSTLNUSA-N	526.590	3.528	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	770153	UJQDVMSOBGEYFR-AHWVRZQESA-N	519.558	3.668	5	1	KHBF	
CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4054835	JIAZDGFISOJGIB-FYYLOGMGSA-N	504.971	3.815	5	1	KHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2c(OC)ccc(OC)c2[N+](=O)[O-])nc2sccn12	29132538	BESUGJKFMVXNPX-UHFFFAOYSA-N	528.543	3.569	5	1	KHBF	
O=C(/C=C/c1ccccc1)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	49680067	BSYPZQNFVRYLRT-LNLBBOMNSA-N	549.559	3.804	5	1	KHBF	
CN(C)CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82084708	PNQSOJBOHPRJIC-HXUWFJFHSA-N	514.629	3.855	5	1	KHBF	
CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]2)cn3C2CC2)CC1	587173108	VRTJSBKUWMQQAF-UHFFFAOYSA-N	521.509	3.977	5	1	KHBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1	587265030	BPRRYPOOQAZMGF-XCLFUZPHSA-N	599.543	3.836	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc([N+](=O)[O-])cc5)[C@H](C2)N(CC2CC2)CC[C@@]314	36221251	HIVXXDSZTCJSFW-RNFKXXMTSA-N	529.593	3.574	5	1	KHBF	
CCCCOC(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82081085	NKBPUNKMUMSZID-LJQANCHMSA-N	511.556	3.946	5	1	KHBF	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(C(=O)O[C@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1	653793644	HZKRIAYPKCGAPE-CMJOXMDJSA-N	520.502	3.951	5	1	KHBF	
O=C(CN1CCc2cc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2C1)OCc1ccccc1	1857651022	SJTBWLCDETVCSF-UHFFFAOYSA-N	504.499	3.535	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@H](C(O)O)C3(c4ccc(O)cc4)CCCCC3)O[C@H]12	2356354900	AHPSWTKEGFNRFL-IMFZEFLZSA-N	713.780	3.765	5	1	KHBF	
COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCN3CCOCC3)c2cc1OC	105112831	JPBFAFRTRQELEK-UHFFFAOYSA-N	609.728	3.607	5	1	KHBF	
CCOC(=O)C(=O)c1c(-c2cccnc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620316	BNZGBPKPJGJSKC-UHFFFAOYSA-N	524.511	3.693	5	1	KHBF	
COc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)c3cc(O)ccc3C[C@@H](C(N)=O)N2C(=O)[C@H](Cc2ccccc2)NC(C)=O)cc1	961951105	MPXPTGPOOAOFFZ-JHFJJOSTSA-N	608.651	3.587	5	1	KHBF	
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(C2OCCO2)s1	961781459	FWRJBCXAYBUYDA-AIQWNVMPSA-N	656.717	3.685	5	1	KHBF	
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	2356867233	PPEIDTBCMMFPCL-YUHYNPFDSA-N	524.581	3.675	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O	771933	UFQGZYUVCYATRW-PIPMEXSNSA-N	500.939	3.524	5	1	KHBF	
CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1c1cccc([N+](=O)[O-])c1	169712079	MFRJOZHRKFJSDR-SCIJIFGBSA-N	541.538	3.578	5	1	KHBF	
Cc1ccn2c(C(=O)N3CCN(c4nc(=O)c5cc(C(F)(F)F)cc([N+](=O)[O-])c5s4)CC3)c(C)nc2c1	653746681	KZKYTXWUQQCNLV-UHFFFAOYSA-N	532.504	3.810	5	1	KHBF	
COc1c(N2CCN(CC(=O)Nc3nc4c([N+](=O)[O-])cccc4s3)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	1911572460	OIASIEKXOHSITA-AWEZNQCLSA-N	610.624	3.849	5	1	KHBF	
C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O	29212036	ZBVXZOTWVQCCCK-FXCIUYFGSA-N	570.819	3.772	5	1	KHBF	
COc1c(Cl)ccc2c(=O)c3c(O)c4c5c(c3oc12)OCO[C@@H]5[C@@H](OC)c1cc2c(c(O)c1-4)C(=O)N(C)[C@H](OC)[C@@H]2O	83921196	NEOMIZJYHXSRLV-BVGKXUBKSA-N	597.960	3.887	5	1	KHBF	in-vitro
CCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H]3C	299815283	NFGWKOSFJPCAEW-YYXXLZMKSA-N	976.134	4.008	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC	4153601	YHZSHMJPLJEUGU-RRAYFQTBSA-N	515.563	3.626	5	1	KHBF	
CN(C)CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82084709	PNQSOJBOHPRJIC-FQEVSTJZSA-N	514.629	3.855	5	1	KHBF	
CC/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1	84359951	LWQGKQKJVHYXAZ-XDHOZWIPSA-N	520.590	3.964	5	1	KHBF	
NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1	15937468	ADEGDMBDJNAQBV-RUZDIDTESA-N	503.603	3.921	5	3	KHBF	
O=C(CCCN1C(=O)CCC1=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1[N+](=O)[O-]	299867715	YNPIHUCSNOCSLE-UHFFFAOYSA-N	597.216	3.884	5	1	KHBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1nc(Cl)cc(Cl)n1)C(Cl)(Cl)Cl	1857579085	KYSUQCCDONNLEH-JTQLQIEISA-N	507.549	3.731	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1	4044198	BDIHZZUPUYQMRZ-ISKFKSNPSA-N	513.982	3.535	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1	4044882	WDBIMTCJJLWMMI-XPEQFSOGSA-N	567.599	3.607	5	1	KHBF	
C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C	105175343	XUJKVVDDYIMTKL-ZRPYYTAHSA-N	506.607	3.554	5	1	KHBF	
COc1ccc([C@@]2(CSc3nnc4n3CCCN4C(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)N2C(C)=O)cc1	961792624	ZGOJHRAVVUAUFH-FRHGLMEDSA-N	804.886	3.973	5	1	KHBF	
N=c1ccc2cc3ccc(N)cc3n(CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)c-2c1	535362998	MNNKTCUVLIGQMJ-TYNHYDCYSA-N	605.809	3.716	5	1	KHBF	in-vitro
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C(C)C)cc1	586933035	LTZBUXJDJQVUFW-GOSISDBHSA-N	524.397	3.545	5	1	KHBF	
COCCOCCOCC(=O)Oc1c(Br)cc(Br)c2nc3ccccc3nc12	1857652054	PBAFNZMTJRQTKD-UHFFFAOYSA-N	514.170	3.893	5	1	KHBF	
CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149112	JXVMELXULIXXEI-AUUXCDECSA-N	506.607	3.839	5	1	KHBF	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	95606698	FOWAHESGBXYXTH-GOGZTAQTSA-N	753.552	3.564	5	1	KHBF	
O=C1[C@H]2C(c3ccccc3[N+](=O)[O-])=NO[C@H]2C(=O)N1c1ccc(Cc2ccc(N3C(=O)[C@H]4ON=C(c5ccccc5[N+](=O)[O-])[C@H]4C3=O)cc2)cc1	150601965	LNNAURLMTULNKG-AKAXLSRLSA-N	686.593	3.679	5	1	KHBF	
CC(C)C[C@H](NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(=O)N1CCN(C)CC1	44351667	ONCYAVRUVQCAEG-QHCPKHFHSA-N	592.700	3.960	5	1	KHBF	
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@H]([n+]2ccc3c(C)c4[nH]c5ccc(O)cc5c4c(C)c3c2)[C@@H]1OC(C)=O	58549356	AOYYJQCFKBFHRE-CNGLIUFISA-O	535.573	3.797	5	1	KHBF	
CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cncc([N+](=O)[O-])c5[nH]4)c3c2)cc1	586953885	RBUNTPSABROIQH-UHFFFAOYSA-N	506.500	3.986	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	4152984	ZNAIEHHHKDKREO-DFNUNTEISA-N	513.547	3.522	5	1	KHBF	
O=C(/C=C/c1ccc(F)cc1)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	49722610	XPNOKNFAAQWZDB-BSQRELMASA-N	567.549	3.943	5	1	KHBF	
CCOC(=O)C(=O)c1c(-c2ccccn2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621575	XRXKTLQPKIXAAT-UHFFFAOYSA-N	524.511	3.693	5	1	KHBF	
O=C(Nc1ccc2c(=O)c3c(sc4c(=O)c5cc(NC(=O)C(F)(F)F)ccc5c(=O)c43)c(=O)c2c1)C(F)(F)F	1857601291	UVLLQPRRKTVHBD-UHFFFAOYSA-N	566.391	3.679	5	1	KHBF	
CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	27561778	LGQDRXMJPKYZFZ-MUUNZHRXSA-N	531.657	3.962	5	1	KHBF	
C[C@H]1CN(c2cnn(C/C=C/c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)c2Cl)C[C@H](C)N1	45186843	RVZBNFXGXSYZFD-ZFRRBFPSSA-N	522.993	3.957	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc(CCOCCOCCOCCOCCNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587265380	CYJMZJDVBLFOOC-UHFFFAOYSA-N	768.806	3.699	5	1	KHBF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@H]1c1nc2ccccc2c2ncccc12	961952158	ODNZDRFHCYJTQN-QYDYLWNGSA-N	559.626	3.564	5	1	KHBF	
CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)CC1	105163887	IUHANGQFMXFAEC-AUUXCDECSA-N	506.607	3.839	5	1	KHBF	
COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cccc([N+](=O)[O-])c1	587620823	GWUPCIVJAXDKCY-UHFFFAOYSA-N	554.493	3.811	5	1	KHBF	
COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCN3CCOCC3)c2cc1OC	105121876	VIIMHRSPVNMHND-UHFFFAOYSA-N	595.701	3.631	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3c(Cl)c(Br)cnc3[nH]2)c([N+](=O)[O-])c1	587264904	AOQDEQXEAWDZCF-UHFFFAOYSA-N	617.841	3.911	5	1	KHBF	
COc1cc2nc(N3CCN(CCNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCOC(C)C)c2cc1OC	105128104	OMDCYQHZCAHPSD-UHFFFAOYSA-N	595.701	3.643	5	1	KHBF	
COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccc(OC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	28970983	VGSJBWYIEOPMMJ-ASDGIDEWSA-N	577.546	3.957	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)CCN[C@H](C)c3ccc([N+](=O)[O-])cc3)[C@H](C)O2)[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)NC(=O)[C@H](C)[C@@H](O)[C@]1(C)O	299811349	LDBBCMGSPCKPCY-MYCVYPDISA-N	983.207	3.939	5	1	KHBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Br)c2[nH]1	587263993	IUVJWLLRIHJEPP-KGFZYKRKSA-N	516.106	3.833	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1	587116801	DGHXCQPRMRVIDH-UHFFFAOYSA-N	510.454	3.853	5	1	KHBF	
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	587127517	ZYPUSMAXKDDLRG-XWRHLKSWSA-N	939.909	3.802	5	1	KHBF	
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1OCCNC(C)=O	1772620633	UFXLKLAZYGOXDN-UHFFFAOYSA-N	522.565	3.579	5	1	KHBF	
COC(=O)c1cccc2nc3c([C@H](OC(=O)CNC=O)[C@H](CCCC(C)C)C(=O)OC)cccc3nc12	2356794519	HZCVMBGWEZESSG-DFBJGRDBSA-N	509.559	3.515	5	1	KHBF	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	4051286	RELGSDFJSHDXLG-HNKPZJSLSA-N	524.530	3.541	5	1	KHBF	
CCOC(=O)C1=C(C)NC(CN(C)CC(C)(C)NC[C@H](O)COc2ccccc2OC)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	67887077	FCIFTJJAUMNBNF-SETSBSEESA-N	654.761	3.684	5	1	KHBF	investigational
C[C@]12CC(O)=c3c(=O)c4c(O)cc(O)c5c6c(O)cc(O)c7c(=O)c8c(O)cc(c9c1c3c(c45)c(c98)c76)CO2	85948103	JKWYQKASNFHJQJ-PMERELPUSA-N	520.449	3.702	5	1	KHBF	
N=C(N)c1ccc2nc(-c3cc([C@@H](CCC(=O)O)C(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)[nH]c2c1	34804674	LSPZCEAEYJKRPW-MRXNPFEDSA-N	503.471	3.828	5	1	KHBF	
CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)C(=O)N[C@H](C(=O)NC)C(C)C)C(C)C	150522510	GNZIXCJETYMUQA-OYEZVYLDSA-N	856.930	3.803	5	1	KHBF	
CN(C)CCCn1c(=O)c2ccc(NCCCN(C)CCCN3C(=O)c4cccc5cc([N+](=O)[O-])cc(c45)C3=O)c3c(=O)c4ccccc4n(c1=O)c23	150531461	WWWOKXAQXCHXIC-UHFFFAOYSA-N	717.783	3.999	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1N	4080076	KYWBBWOXVZNIDJ-NOZRDPDXSA-N	504.499	3.713	5	1	KHBF	
C[C@@H]1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(CO)oc6cc45)c(O)cc(O)c3c2O)O1	85592857	RTTJVDAMQZZYOY-SECBINFHSA-N	532.457	3.846	5	1	KHBF	
CN1c2ccccc2[C@@]2(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)c2cc3c(cc21)c(=O)c1ccccc1n3C	587306259	QIPKYFWRACPCDS-LMTXBTEWSA-N	756.764	3.926	5	1	KHBF	
COc1cc2c(cc1OC)[C@@](c1ccc(C)cc1)(c1cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([N+](=O)[O-])c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2	962669418	DWJQQYFJMGMZPH-PZUZMHAJSA-N	784.693	3.906	5	1	KHBF	
Cn1c2ccccc2c(=NCCCN2CCOCC2)c2oc3ccc(OCC[N+]4(C)CCOCC4)cc3c21	1772647493	OKEDZXXZAVEAMR-UHFFFAOYSA-N	519.666	3.556	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587269473	DFLXPYYJOPMGDE-UHFFFAOYSA-N	532.582	3.855	5	1	KHBF	
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@](C)(O)[C@@H]3O)ccc(O)c12	2356646693	MOICNMDKCPHILF-GLUPJBPKSA-N	538.549	3.634	5	1	KHBF	
CN1c2ccccc2[C@]2(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)c2cc3c(cc21)c(=O)c1ccccc1n3C	587306262	QIPKYFWRACPCDS-MOSCXSMRSA-N	756.764	3.926	5	1	KHBF	
CCOc1ccc(CCNc2ncc(C(=O)NCCCOC)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC	82214826	TUKQHTMPSQHPQK-UHFFFAOYSA-N	509.563	3.880	5	1	KHBF	
CC1=NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712099	OGOZHRAHRGSAEE-LOVPPGSYSA-N	597.602	3.738	5	1	KHBF	
CCOc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)c(=O)c3ccccc23)cc1OCC	587670352	SHHDDZCXUAYWGG-UHFFFAOYSA-N	580.619	3.779	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCN(CC)CC	4152075	HZVGGLWUCSKPMV-UKILVPOCSA-N	514.579	3.561	5	1	KHBF	
Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)NC(=O)OC(C)(C)C)cc1	586933625	UEMCRACOGMQMIN-SFHVURJKSA-N	573.676	3.807	5	1	KHBF	
Cc1cc(F)c2[nH]c(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	587265437	DVFGVWXTTCDLCK-UHFFFAOYSA-N	535.529	3.548	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2c4ccccc4cc4ccccc24)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587312160	KORSQNSIOSNWAO-JDANWYAQSA-N	622.626	3.944	5	1	KHBF	
COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	769794	BCTKINJQCBTBMS-LSYYVWMOSA-N	562.579	3.857	5	1	KHBF	
COc1ccc([C@@H]2[C@H]3CSCN3[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23C(=O)Oc2ccccc23)cc1	1772584232	ASIMADLNAGQHET-LFKDDQTCSA-N	515.547	3.780	5	1	KHBF	
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)N2CCOCC2)c([N+](=O)[O-])c1	1772590273	BOOGWAMXFURMPS-ARMFNRFLSA-N	521.530	3.726	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@@H](CO)[C@@H](F)[C@@H](O)[C@H]1O	38363245	SWORYDJCKUWKPZ-CYCNHHMYSA-N	578.471	3.552	5	1	KHBF	
O=C(CCN1CCCC[C@H]1CO)Nc1ccc2cc3ccc(NC(=O)CCN4CCCC[C@H]4CO)cc3nc2c1	58668444	CJDRVVUXCIZWRZ-SVBPBHIXSA-N	547.700	3.739	5	1	KHBF	
O=C(O)c1c(=O)c2cc(F)c(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc2n2c1sc1ccccc12	101145235	MQKHAIZBGYNAGT-QHCPKHFHSA-N	559.575	3.993	5	1	KHBF	
COc1cc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	962915159	AVGUCSWGDNURRD-CVDCTZTESA-N	516.503	3.507	5	1	KHBF	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	4051293	RELGSDFJSHDXLG-YROCYRMSSA-N	524.530	3.541	5	1	KHBF	
CS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)c2ccccc2)cc1[N+](=O)[O-]	64622522	QKWZASKYUXKQSZ-KOQQFERGSA-N	512.584	3.837	5	1	KHBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc(Nc3ccc(S(C)(=O)=O)cc3)c1[N+](=O)[O-])C2	101660696	MWXSWPJHOYXOHF-HOTGVXAUSA-N	519.580	3.841	5	1	KHBF	
O=C(N[C@@H](COCc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1	104968172	PQFHNQFNPHJPLL-QFIPXVFZSA-N	537.642	3.636	5	1	KHBF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)nc1-2	587270063	JGLVIDNCWATUKY-IBGZPJMESA-N	524.520	3.637	5	1	KHBF	
C[C@@](O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857609161	WMNKLVBNNNMUBW-MRXNPFEDSA-N	500.373	3.796	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	4152985	ZNAIEHHHKDKREO-XJLITKLCSA-N	513.547	3.522	5	1	KHBF	
O=[N+]([O-])c1ccc(CSc2nc(O)c(I)c(Cn3nnc4ccccc43)n2)cc1	653692739	GAZYRZHHIVLZEB-UHFFFAOYSA-N	520.312	3.780	5	1	KHBF	
CC(C)(C)NC(=O)[C@@H]1c2ccccc2CCN1c1cc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2C1CC1	40866660	DKHIDXJJTXQKRH-QHCPKHFHSA-N	504.543	3.961	5	1	KHBF	
N=C(N)c1ccc(COc2ccc3cc(C[C@H](NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)C(=O)O)ccc3c2)cc1	1772574682	LNQRAUNQOQHNJX-VWLOTQADSA-N	548.577	3.585	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	4075616	UJQDVMSOBGEYFR-RSXGOPAZSA-N	519.558	3.668	5	1	KHBF	
COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	769804	VFVPXAQDCATVHN-XTEPFMGCSA-N	562.579	3.857	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1	4055014	XLOPQLILRORGPT-JTHBVZDNSA-N	520.417	3.747	5	1	KHBF	
CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4208028	WZEJCSZDFURDGY-JUYXMVKISA-N	505.955	3.880	5	1	KHBF	
NC(=O)[C@@H]1CCCN1C[C@@H]1Cc2cccc3c4c5c(c6c7ccc(F)cc7[nH]c6c4n(c23)C1)C(=O)NC5=O	14945630	FGKHDSIXELCLRY-DJJJIMSYSA-N	509.541	3.574	5	1	KHBF	
CC(C)[C@H](NC(=O)Cn1c(-c2ccc([N+](=O)[O-])cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F	26017640	ODLRISNJPYHISY-NRFANRHFSA-N	575.500	3.839	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(COC(=O)N5CCN(c6ccc([N+](=O)[O-])cc6)CC5)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	96927773	PHROTBKWVSELMF-NEVPTIFISA-N	728.715	3.924	5	1	KHBF	
N=c1ccc2cc3ccc(N)cc3n(CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)c-2c1	535362999	MNNKTCUVLIGQMJ-VUAYVDPTSA-N	605.809	3.716	5	1	KHBF	in-vitro
COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	963230139	LNJUNHZJRBGUSP-GJZUVCINSA-N	549.561	3.916	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](Oc2ccccc2[N+](=O)[O-])[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](O)[C@]1(C)O	49802088	JNLKAKSVQSMYFQ-PSXSEQICSA-N	710.862	3.509	5	1	KHBF	
NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1	42808081	IYBVEUKFGRJHGL-UHFFFAOYSA-N	573.583	3.980	5	1	KHBF	in-vivo
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc(NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)ccc1O	299866741	WOKAQBDWOFXYOP-QHCPKHFHSA-N	539.545	3.552	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CF)[C@@H](O)[C@@H](O)[C@@H]1O	169349941	LEHQLDQOIPATGT-CSFPKONGSA-N	578.471	3.552	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc24)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587299672	UPPMHZQMXNLCBB-QPBKTWBUSA-N	696.665	3.548	5	1	KHBF	
COc1cc2c(cc1OC)N(C(=O)OCc1cnc([N+](=O)[O-])n1C)[C@H](O)[C@@H]1CC(c3ccc4ncccc4c3)=CN1C2=O	1857753784	YIJDQZCOENJVLY-WNCULLNHSA-N	586.561	3.625	5	1	KHBF	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCNCCNCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	5760429	CCJPPGQFARCWSX-UHFFFAOYSA-N	624.610	3.661	5	1	KHBF	
O=C(N/C(C(=O)N1CCCCC1)=C(\Br)c1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1	72177644	OQTXHQWFHSKJRG-HNENSFHCSA-N	502.321	3.830	5	1	KHBF	
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C[C@@H]5CO5)CCC[C@]4(C)[C@H]2C[C@H]1C[C@@H]3C(=O)OC[C@@H](O)C[N+](C)(C)C[C@@H]1CO1	299828995	HMYOJBGBUPGQEX-NCCIEUBZSA-N	690.963	3.576	5	1	KHBF	
N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586978311	NWSHYQAUXMDCRM-VIFPVBQESA-N	501.091	3.852	5	1	KHBF	
O=C(NCCCC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCNCC1)OCc1ccccc1	104964139	JSHZNUYCILNIGS-DEOSSOPVSA-N	594.694	3.735	5	1	KHBF	
COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCN3CCCC3=O)c2cc1OC	105121885	LCPQELHIIDLFBS-UHFFFAOYSA-N	593.685	3.921	5	1	KHBF	
COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)OC(C)(C)C)c1	13729616	RJTHMUYAXSEHOP-ZEQRLZLVSA-N	525.602	3.710	5	1	KHBF	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1	66076569	AAVLIOSBVFOILD-UHFFFAOYSA-N	524.540	3.757	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195216589	QSDYWKIHXOZPDJ-QTQBLVDFSA-N	790.867	3.969	5	1	KHBF	
O=C(O)C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2CN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1	13797808	UJACCCBUXXMATQ-OAQYLSRUSA-N	500.916	3.685	5	1	KHBF	
Nn1c(SC[C@@]2(c3ccc(Cl)cc3)N[C@H](C(=O)O)Cc3cccc(F)c32)nnc1-c1ccc([N+](=O)[O-])cc1	962896339	CEVJDOVMZGUEFA-CPJSRVTESA-N	554.991	3.994	5	1	KHBF	
CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1	101090411	HEEKUWDLPPDKMK-MEMLXQNLSA-N	502.637	3.794	5	1	KHBF	
CCN1CCN([C@H](c2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2)[C@H](c2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2)N2CCN(CC)CC2)CC1	169303760	KMLFCYIFDZAXFV-AQOUDTPCSA-N	786.854	3.749	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906460	DJWHMFQBPJKPFO-XSEOHNTGSA-N	626.663	3.777	5	1	KHBF	
COc1cc2nc(N3CCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCn3ccnc3)c2cc1OC	105116459	OCRVUULXBDVNDU-UHFFFAOYSA-N	588.669	3.925	5	1	KHBF	
O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4205097	OIPDTCANNZZZBG-JTHBVZDNSA-N	500.939	3.671	5	1	KHBF	
C[N+]1(CCC(=O)NCc2cccc3cc4cccc(CNC(=O)CC[N+]5(C)CCCC5)c4nc23)CCCC1	45244858	SROHNEWTGIPHCS-UHFFFAOYSA-P	517.718	3.881	5	1	KHBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12	587137375	XHCVYDZJORWEBN-UHFFFAOYSA-N	564.187	3.823	5	1	KHBF	
CC(C)Oc1ccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587267474	ZYKNCUAMEPXGAF-UHFFFAOYSA-N	561.592	3.888	5	1	KHBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	769800	YZXCBYQQEPOFQI-XTEPFMGCSA-N	562.579	3.857	5	1	KHBF	
COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	770144	KWUCNFULYXVAIG-XCZPVHLTSA-N	562.579	3.857	5	1	KHBF	
Nc1nc(-c2ccc(CCN3CCN(CCCN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)CC3)cc2)cs1	299827607	LLHSCUSPLWLVGC-UHFFFAOYSA-N	535.718	3.673	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3C)c(C(=O)c3cnn(C)c3C)c2c1	587620332	BOPLSGNYYPGSQM-UHFFFAOYSA-N	563.596	3.867	5	1	KHBF	
C[C@](O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	1857593923	MGXFOLLDXHFBKO-INIZCTEOSA-N	500.373	3.796	5	1	KHBF	
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)OCc2ccccc2-c2ccccc2C1=O	95867095	BSGRBDBXPQQDII-GGJMMHKRSA-N	567.664	3.940	5	1	KHBF	
C[C@@H](C[C@@]1(C(=O)O)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	963233462	JVQZCFISXYVZTD-WDOPYPBISA-N	635.538	3.860	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(F)c(F)c(F)c3[nH]2)c([N+](=O)[O-])c1	587265698	HDXRBJAFOBMJMJ-UHFFFAOYSA-N	557.482	3.518	5	1	KHBF	
O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)c1	1772608609	MGHRIOSQJVOCSQ-KHPPLWFESA-N	507.484	3.518	5	1	KHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2cc(OC)c(OC)cc2[N+](=O)[O-])nc2sccn12	29132439	OFECWBPCFPGYLC-UHFFFAOYSA-N	528.543	3.569	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	253868712	FDVGQOSYDFYRIS-VEIFWNHXSA-O	589.669	3.566	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](c2ccc(Sc4ccccn4)c([N+](=O)[O-])c2)(c2ccccn2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587314030	JEILRVQZPGLVQS-GXCQCRNBSA-N	753.742	3.689	5	1	KHBF	
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@@H](C)[C@@H](O)[C@@H](N(C)C)[C@@H]3O)c21	14685272	ZHXCTIMNNKVMJM-UBHJZXGOSA-N	521.566	3.577	5	1	KHBF	in-vivo
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(C(=S)Nc1ccc(F)cc1)C2	103257822	QAXSDZPHOSUWIW-UHFFFAOYSA-N	505.578	3.963	5	1	KHBF	
COc1cc2nc(N3CCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCN3CCCC3=O)c2cc1OC	105115994	DWENVDDAJIHRSN-UHFFFAOYSA-N	605.696	3.651	5	1	KHBF	
CCc1nc2c([N+](=O)[O-])c(OC3CC[N+](=C(C)N)CC3)ccc2n1Cc1ccc2ccc(C(=N)N)cc2c1	169717363	JPZAPLAFJYUWQP-UHFFFAOYSA-O	514.610	3.923	5	1	KHBF	
O=C(NCCCN1CCCC1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4054283	RBAOXRQLGCHIDH-GGAORHGYSA-N	500.939	3.671	5	1	KHBF	
CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N@@+](C)(Cc3ccc(O)cc3)C2)cc1	261087076	CTFDKSWRIMHOOV-SQXFCBKASA-O	588.729	3.894	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(C(F)(F)F)ncc3[nH]2)c([N+](=O)[O-])c1	587267466	ZPYULPBVUKHYKX-UHFFFAOYSA-N	572.497	3.514	5	1	KHBF	
C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(C[N+](=O)[O-])c3ncn(Cc4ccccc4)c3[N+](=O)[O-])c(O)c2C(=O)O1	962968740	LTTWUZKMOZXUOJ-MMSMTGBTSA-N	676.038	3.972	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)CC[C@@H]3[C@@H]4CC[C@H](O)[C@H](Cc5ccc(O)cc5)[C@@H]4O[C@H]1[C@]32O	2356361990	CEENTTNOSPYUFR-BFOXTQICSA-N	681.738	3.564	5	1	KHBF	
CCCCCC(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C3)c1	17307196	RECADHIKMKJDLY-WNCULLNHSA-N	566.571	3.593	5	3	KHBF	
COCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1c1ccccc1[N+](=O)[O-]	26486311	PAZGEZOYQJAMMB-CHTIKVTKSA-N	599.618	3.638	5	1	KHBF	
NS(=O)(=O)c1ccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)cc1	263621284	YKWZALQMWYUDGJ-UHFFFAOYSA-N	642.675	3.683	5	1	KHBF	in-vitro
CC(C)=CC[C@H]1Cc2c(OCCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc(=O)n(CCCO)c2CC1(C)C	1857610160	KXSGQFOTRNZIIS-NRFANRHFSA-N	561.701	3.984	5	1	KHBF	
CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN1CCCC1=O	4214356	ZYMBNNVYHUEBBN-ZEQRLZLVSA-N	504.584	3.755	5	1	KHBF	
CCNC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715749	NCZMUOVWUNLZDT-XRKRLSELSA-N	603.720	3.892	5	1	KHBF	
CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1[C@H]1N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21	963032548	WXEYOZNHJTVEHR-OZXSUGGESA-N	610.618	3.794	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(SCc4ccccc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587316923	YCKZBMPPLAINRD-YHVKRWFOSA-N	689.695	3.838	5	1	KHBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC	4054298	RHMZPOMTPAZFKU-ISKFKSNPSA-N	516.982	3.959	5	1	KHBF	
O=C(OC[C@@H]1[C@H]2c3ccccc3O[C@]1(CO)N=C1Sc3ccc([N+](=O)[O-])cc3C(=O)N12)c1ccccc1	95783717	PTAULBULDWFLIS-SNOBZRMMSA-N	517.519	3.808	5	1	KHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1	587263215	OVSHLQYUJKCLKJ-UHFFFAOYSA-N	562.608	4.000	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1	587266872	PRYLAHHXGFWNIG-XMHCIUCPSA-N	542.530	3.723	5	1	KHBF	
Cc1c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C[C@H](N)c2ccc(F)cc2)c(=O)n1Cc1c(F)cccc1F	1857633340	SDVBLZDNMWQRGM-NDEPHWFRSA-N	608.621	3.714	5	1	KHBF	
O=C(NCCc1c[nH]c2ccccc12)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12	2356845696	ADPMDMIGEWKQSZ-NNPRQICQSA-N	523.593	3.761	5	1	KHBF	
CCCc1c(OC[C@@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)ccc2c(O)c([N+](=O)[O-])c(=O)oc12	29232335	NZDYMGLQYJHAGD-IBGZPJMESA-N	531.993	3.570	5	1	KHBF	
C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	95867031	BSGRBDBXPQQDII-UMQWNRPGSA-N	567.664	3.940	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)cc1	586952470	HFVNXZBWZUMVGZ-HJWRWDBZSA-N	596.597	3.908	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc24)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587299670	UPPMHZQMXNLCBB-FBYUKEOBSA-N	696.665	3.548	5	1	KHBF	
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@@H]3C=C[C@]12O3	38143032	BBMJJGKPJROQJJ-VGRNTABGSA-N	539.488	3.541	5	3	KHBF	
COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1	103187845	XUCBODFJAVRORY-QKSFETHESA-N	526.574	3.791	5	1	KHBF	
COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	253920749	QYUROEYAFJQVKH-AUMPPRDSSA-N	559.575	3.931	5	1	KHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1	587846450	DOSHWYPUYSRCBF-XENMCESMSA-N	553.406	3.882	5	1	KHBF	
CC(C)(C)OC(=O)C1=C(CN2CCN(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	653735507	YMAIEFYJICJEIX-FUFSCUOVSA-N	746.790	3.944	5	1	KHBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	770169	MLZCFGWXDMBWAX-RIACCQAKSA-N	534.569	3.620	5	1	KHBF	
CO[C@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4=O)[C@H](O)[C@H]1O	29391847	IDJBSIHZPGRCAI-BYRHVFGASA-N	584.412	3.588	5	1	KHBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1	66251890	XCDQBYAEXPDCHZ-ZKBJDZFASA-N	607.593	3.966	5	1	KHBF	
Cc1c([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)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	587299107	RVSHGSBVZRZQRO-QHBZTIHNSA-N	710.692	3.857	5	1	KHBF	
Cc1ccc2nc3ccccc3c([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)c2c1	587304011	YABSWTHPZMDNEN-JDANWYAQSA-N	637.641	3.647	5	1	KHBF	
COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1	26732632	WDDPQFVKUCBXKP-UUWRZZSWSA-N	682.822	3.867	5	1	KHBF	
CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c([N+](=O)[O-])c1	586994591	XURDHTCIAZQZKM-RUZDIDTESA-N	542.525	3.945	5	1	KHBF	
COc1ccc([C@]2(CSc3nnc4n3CCCN4C(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)N2C(C)=O)cc1	961792628	ZGOJHRAVVUAUFH-JKNORYIRSA-N	804.886	3.973	5	1	KHBF	
Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@@]21N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21	963707618	ZTEIERGJTDUVHC-ZTMGNVKNSA-N	577.593	3.772	5	1	KHBF	
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@@](C)(O)[C@@H]3O)ccc(O)c12	2356646694	MOICNMDKCPHILF-HLNOMKKBSA-N	538.549	3.634	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906457	DJWHMFQBPJKPFO-DMDQPNBXSA-N	626.663	3.777	5	1	KHBF	
Nc1c([C@]2(c3ccc(Cl)cc3)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)oc2cc([N+](=O)[O-])ccc12	587285000	JSXRILIAOUDLTG-WKXXMIBBSA-N	733.082	3.730	5	1	KHBF	
O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12	2356862885	SUEFNMQRUDYAQO-RIDMBPPBSA-N	538.608	3.546	5	1	KHBF	
C[C@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)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	587290361	KPNANIDIMUMGJH-IOIOPVOKSA-N	719.671	3.524	5	1	KHBF	
N[C@@H](CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587271659	IMTRCMAPTHFXMB-IBGZPJMESA-N	528.978	3.824	5	1	KHBF	
CCOC(=O)C(=O)c1c(C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587617702	JCEBIBKKBQQRRY-UHFFFAOYSA-N	515.422	3.650	5	1	KHBF	
O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4208081	GRUOIIXCIJZHHN-MQVPCNEGSA-N	523.929	3.789	5	1	KHBF	
O=C(CC[N+]1([O-])CCCCC1)NC1=CC2=Nc3cc(NC(=O)CC[N+]4([O-])CCCCC4)ccc3C(=O)[C@@H]2C=C1	49032743	LGNOJWHDXVACPD-HSZRJFAPSA-N	535.645	3.857	5	1	KHBF	
COc1cc2nc(N3CCC(CNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC	105136578	VLRAACYGHCJGGV-RUZDIDTESA-N	619.723	3.991	5	1	KHBF	
O=[N+]([O-])c1cc(-c2nnn(CCCSc3nnnn3-c3ccc(Cl)c(Cl)c3)n2)cc([N+](=O)[O-])c1	1857744236	XFZGOAVPWUKCBD-UHFFFAOYSA-N	523.322	3.621	5	1	KHBF	
CN1CCN(CCCCCNc2cc3c(=O)n(CCCCCN4CCN(C)CC4)c(=O)c4c(NCCCCCN5CCN(C)CC5)cc5c(=O)n(CCCCCN6CCN(C)CC6)c(=O)c2c5c34)CC1	150558872	HWFZEQUVQAAJSH-UHFFFAOYSA-N	969.378	3.560	5	1	KHBF	
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@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)[C@@H]3Nc4ccccc4[C@H]3CC[N@@+]([O-])(C2)C1	255284805	YNNDEUFHUVXTEM-BWTIHXHZSA-N	829.004	3.899	5	1	KHBF	
COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOCCOCCOCCOC(=O)CN)c(-c3cccc(F)c3)oc12	299853732	OXVFRMCAENTUAC-UHFFFAOYSA-N	629.634	3.709	5	1	KHBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1	587266382	LCMMZFIFPBSHOV-WHLCRQNOSA-N	602.652	3.956	5	1	KHBF	
CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587418406	HBKPMURXCNSWNC-GYCJOSAFSA-N	503.891	3.642	5	1	KHBF	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@H]2Nc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1[N+](=O)[O-]	1772635160	UJJAYFSIIJGOJH-QWQRMKEZSA-N	536.586	3.871	5	1	KHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2cc(OC)c([N+](=O)[O-])cc2OC)nc2sccn12	29132534	SMZFRGYJZKEHFJ-UHFFFAOYSA-N	528.543	3.569	5	1	KHBF	
CC(=O)N1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	82136044	QORAASZFCULTOP-UHFFFAOYSA-N	502.575	3.771	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1	104961602	KHFVGRPOHVAMTD-XMMPIXPASA-N	582.752	3.504	5	1	KHBF	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(=O)n(Cc5ccccc5[N+](=O)[O-])nnc43)[C@H](O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	299815727	RQSLPIDCZACCJF-XAGQFDCBSA-N	706.712	3.590	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc3nc(Cn4nc(C(F)(F)F)c([N+](=O)[O-])c4C)[nH]c3c2)cc1	587117427	JGBMCTOJNIQHPP-UHFFFAOYSA-N	510.454	3.853	5	1	KHBF	
CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4055932	RJXCZAKPFKAFFM-ORVRILKXSA-N	505.955	3.880	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	4152988	ZNAIEHHHKDKREO-LBEPQCADSA-N	513.547	3.522	5	1	KHBF	
Cc1cc2c(NCCCN3CCN(C(=O)c4cncs4)CC3)nnc(-c3cccc([N+](=O)[O-])c3)c2n1C	49067906	UPBAPPIVPZDTMO-UHFFFAOYSA-N	520.619	3.568	5	1	KHBF	
COc1cc2nc(N(C)CCN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCn3ccnc3)c2cc1OC	105113274	VMYGZEZVFQNPFG-UHFFFAOYSA-N	562.631	3.771	5	1	KHBF	
COc1ccc2c(=O)c3c(OC(C)=O)cc(OCc4cn(CC(=O)Nc5ccc(OC)c(OC)c5)nn4)cc3oc2c1	1857555344	FGEJNEIZRYDRNX-UHFFFAOYSA-N	574.546	3.707	5	1	KHBF	
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12)N1CCc2[nH]c3ccccc3c2C1	2356813590	DUTHMEFWNNQEPL-POGOCVFTSA-N	535.604	3.987	5	1	KHBF	
O=C(O)c1cn(C2CC2)c2cc(N3CCN(Cn4nc(N5CCN(c6ccc([N+](=O)[O-])cc6)CC5)n(Cc5ccccc5)c4=O)CC3)c(F)cc2c1=O	1857576314	OIGQBNNZJZAYCA-UHFFFAOYSA-N	723.766	3.595	5	1	KHBF	
CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C(C)C)cc1	586933040	LTZBUXJDJQVUFW-SFHVURJKSA-N	524.397	3.545	5	1	KHBF	
CCCCNC(=O)[C@H](C)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C	96023017	VPRWOMAVFGOQJF-VCTRWQRLSA-N	692.814	3.924	5	3	KHBF	
CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4055934	RJXCZAKPFKAFFM-QJWYHGAWSA-N	505.955	3.880	5	1	KHBF	
C[C@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12)C(=O)NCc1ccccc1	29227290	MTMSCELVTMFEIT-DCFHFQCYSA-N	524.577	3.910	5	1	KHBF	
C[C@H]1CN(c2cnn(Cc3ccc(NC(=O)Nc4ccc(F)cc4[N+](=O)[O-])cc3)c(=O)c2Cl)C[C@H](C)N1	49745015	JJAGUHSTEISFJJ-GJZGRUSLSA-N	529.960	3.823	5	1	KHBF	
COc1ccc([N+](=O)[O-])cc1N1CCN(CCN2C(=O)c3cc(I)ccc3[C@]2(O)c2ccccc2)CC1	84462214	JPVIDVHVKGBTGA-HHHXNRCGSA-N	614.440	3.679	5	1	KHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])N1	587744237	GNYWBDWADSGFBB-YEJXKQKISA-N	504.316	3.796	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1	4044884	WDBIMTCJJLWMMI-HGMMTPDKSA-N	567.599	3.607	5	1	KHBF	
CCOC(=O)C1=C(CCn2ccnc2)N=C(CCn2ccnc2)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	81135268	CQBXOXSEJDUBOV-RPWUZVMVSA-N	534.573	3.703	5	1	KHBF	
C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	95867092	BSGRBDBXPQQDII-CZBREUMFSA-N	567.664	3.940	5	1	KHBF	
C[N+](C)(C)C[C@H](c1c[nH]c2cc(Br)ccc12)c1c(=O)c(NC(=O)CS(=O)(=O)O)c2[nH]ccc3[nH]ccc1c32	198957515	CFFICWQFXCTNIK-GOSISDBHSA-O	601.503	3.918	5	1	KHBF	
CCNc1nc(N(C)CCN(C)C(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12	82118232	APLYNNQXBDZVRP-UHFFFAOYSA-N	510.595	3.905	5	1	KHBF	
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C)O[C@@H]1[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1	28757980	AOYYJQCFKBFHRE-QGKRBMLVSA-O	535.573	3.797	5	1	KHBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1	587265527	FXETZHDWDKNECQ-DNOBIOAJSA-N	588.625	3.913	5	1	KHBF	
COc1c(OC)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(OC)c(OC)c(C[C@@H](C)O)c(c(c1C[C@H](C)O)c23)c54	2356284304	VZOAWONERRCHDP-OKILXGFUSA-N	578.614	3.794	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@@H](CO)[C@@H](F)[C@@H](O)[C@@H]1O	38363248	SWORYDJCKUWKPZ-XFLKMIGPSA-N	578.471	3.552	5	1	KHBF	
Cc1nc2c(I)cc(I)cc2c(=O)n1Cc1cccc([N+](=O)[O-])c1	103191773	XLAJKCFZIBCFCN-UHFFFAOYSA-N	547.090	3.871	5	1	KHBF	
CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)cc1[N+](=O)[O-]	586940822	HAWBTYPBMSBFRC-UHFFFAOYSA-N	623.761	3.714	5	1	KHBF	
CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)CCC(C)C)C(=O)OCCCC	1772608344	JXDKAOHGKUGPOA-GOTSBHOMSA-N	683.781	3.584	5	1	KHBF	
C[C@H]1C(c2ccc3c(c2)-c2ccc(C[N+]45CC[N+](CCOc6ccccc6)(CC4)CC5)cc2C3=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12	72115269	NWXRDDNUMDKBTB-CNONRZPLSA-O	635.761	3.791	5	1	KHBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1	587273308	GOKOYPXABOMIOV-LJQANCHMSA-N	516.606	3.514	5	1	KHBF	
CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	4051297	RELGSDFJSHDXLG-YTJPUZGESA-N	524.530	3.541	5	1	KHBF	
CN(C)CCNc1ccc(C(=O)NCCN(C)CCNC(=O)c2cc(NCCN(C)C)c3c(=O)c4cc(O)ccc4[nH]c3c2)c2nc3ccc(O)cc3c(O)c12	95546264	UAXQSMZGPZGSDV-UHFFFAOYSA-N	763.900	3.538	5	1	KHBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3[nH]nc([N+](=O)[O-])c3Br)c(=O)c3ccccc23)c(O)c1	587665443	NHFBFGYDBOCEBC-UHFFFAOYSA-N	527.335	3.698	5	1	KHBF	
C[C@@H](NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12)C(=O)NCc1ccccc1	29227284	MTMSCELVTMFEIT-HRFSGMKKSA-N	524.577	3.910	5	1	KHBF	
N=C(N)c1ccc2nc(-c3cc([C@H](CCC(=O)O)C(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)[nH]c2c1	34804677	LSPZCEAEYJKRPW-INIZCTEOSA-N	503.471	3.828	5	1	KHBF	
CC[C@H](COC)Nc1nc(N2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	105116381	NLVFVVOVGMKVTE-GOSISDBHSA-N	538.605	3.663	5	1	KHBF	
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)N2CCOCC2)c([N+](=O)[O-])c1	1772590277	BOOGWAMXFURMPS-SKBVVQJISA-N	521.530	3.726	5	1	KHBF	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(=O)n(Cc5ccccc5[N+](=O)[O-])nnc43)[C@@H](O)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	299815726	RQSLPIDCZACCJF-QWIMVIAWSA-N	706.712	3.590	5	1	KHBF	
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)N1CCc2cc([N+](=O)[O-])ccc21)CCC(N)=O	26675058	HVIYSZCRFBWYAO-BAHUSHRSSA-N	712.804	3.859	5	1	KHBF	
CO[C@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4=O)[C@H](OC(C)=O)[C@@H]1O	27655263	DJEHIHYFWKWDGG-ARJSRTKMSA-N	612.422	3.817	5	1	KHBF	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([N+]5([O-])CCN(C(=O)[C@@H]6CCCN6C(=O)C6=CN[C@H]7C=CC=CC7=C6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O	299832370	GBVFUMQLSCGKQL-YNDSXAEVSA-N	646.873	3.785	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cccc(Cl)c3[nH]2)c([N+](=O)[O-])c1	587267256	VZQXNVNCBOBTBJ-UHFFFAOYSA-N	537.957	3.754	5	1	KHBF	
CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)c(O)c1	587666541	CXJFSFIRGKWZIO-OAHLLOKOSA-N	506.519	3.630	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OCC(=O)Nc1ccccc1[N+](=O)[O-]	653813165	KEEJVAYQULJJOT-GLMMHSNRSA-N	562.531	3.835	5	1	KHBF	
COC(=O)c1ccc(Oc2ccccc2[C@H]2c3cc(O)ccc3C[C@@H](C(N)=O)N2C(=O)[C@H](Cc2ccccc2)NC(C)=O)c([N+](=O)[O-])c1	961781700	GRFKZNNLBBJETM-HYPZGNBFSA-N	652.660	3.955	5	1	KHBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H](n3cnc4c(Cl)nc(Cl)nc43)OCc3ccccc32)cc1	66078738	ADWZQHLAYGEBHB-INIZCTEOSA-N	521.342	3.966	5	1	KHBF	
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc([N+](=O)[O-])c(F)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1	587176854	GRPMXZQBIPYVFD-PHIMTYICSA-N	527.507	3.974	5	1	KHBF	
O=C(NCCC[C@](NC(=O)OCc1ccc([N+](=O)[O-])cc1F)(C(=O)O)C(F)F)OCc1ccc([N+](=O)[O-])cc1F	95557094	AAJFXBZWWFBVPC-JOCHJYFZSA-N	576.412	3.803	5	1	KHBF	
O=C(CSc1cc(Cl)ccc1Cl)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3ccc([N+](=O)[O-])cc3)CS[C@@H]12	29565058	LHWQJCZISIHDFM-NQIIRXRSSA-N	598.442	3.589	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	95603552	KGINYOPQKKPSLP-QNMIOERPSA-N	621.624	3.630	5	1	KHBF	
CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(CCCNc3ccc([N+](=O)[O-])c4nonc34)c3ccccc13)C2	101467875	TXJVVQVHDLOBCQ-ROUUACIJSA-N	518.578	3.728	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(Br)cc3[nH]2)c([N+](=O)[O-])c1	587266670	MOIVFNHOKXCFED-UHFFFAOYSA-N	582.408	3.863	5	1	KHBF	
C[N+](C)(C)CCNC(=O)CCCCCOc1ccc2nc(C3(NC(=O)C[C@H](N)Cc4cc(F)c(F)cc4F)CCS(=O)(=O)CC3)sc2c1	1857544735	SGNFYPUHHWGZIZ-HSZRJFAPSA-O	712.881	3.955	5	1	KHBF	
CCOC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	27527029	XVBPXSHOAVVRID-AREMUKBSSA-N	607.664	3.805	5	1	KHBF	
CC[C@H](COC)Nc1nc(N2CC[C@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])C2)nc2cc(OC)c(OC)cc12	105133424	OZANCCDBHRKNAI-MSOLQXFVSA-N	538.605	3.709	5	1	KHBF	
N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1	587180929	SGQITHZNVVOVIE-SNVBAGLBSA-N	550.094	3.628	5	1	KHBF	
COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCO)cc1OCc1ccccc1	2484500	MXEQBLFRTBJXLN-UHFFFAOYSA-N	533.493	3.955	5	1	KHBF	
CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6n(C)c5c32)C(=O)N(C)C4=O)O[C@@H]1CO	29399159	MPVYKSPETVLKLL-VEKNWUCMSA-N	598.439	3.599	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cccc(I)c3[nH]2)c([N+](=O)[O-])c1	587266044	ISRNESPLOGLPDL-UHFFFAOYSA-N	629.408	3.705	5	1	KHBF	
COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)O)cc1NC(=O)OC(C)(C)C	13840039	BDUICVRJXIHRFA-AWEZNQCLSA-N	509.537	3.614	5	1	KHBF	
CCN(CC)CCCNc1nc(N2CCN(CCNC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	105128138	CSCRQQTZSKDMIO-UHFFFAOYSA-N	608.744	3.559	5	1	KHBF	
COC(=O)[C@H](N=O)c1c(-c2cccnc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621598	XZFYUYHXUGNPNT-JOCHJYFZSA-N	525.499	3.928	5	1	KHBF	
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1	101822841	HSJWIEGDZRBPSM-UPVQGACJSA-N	527.625	3.775	5	1	KHBF	
COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC	105113472	QMMFQYFRRHTUGX-HSZRJFAPSA-N	593.685	3.553	5	1	KHBF	
C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620473	CMBDWLJGJXTUDE-JXINOLMXSA-N	526.571	3.876	5	1	KHBF	
CCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H]3C	299815282	NFGWKOSFJPCAEW-SQFWTRICSA-N	976.134	4.008	5	1	KHBF	
O=[N+]([O-])c1ccc(Nc2nc(Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)nc(N3CCCCC3)n2)cc1	1857589569	JKIQCGVRMFEKJT-UHFFFAOYSA-N	548.589	3.848	5	1	KHBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC	4207179	SLDFNKLGSPXALQ-QBXAIUQQSA-N	503.939	3.777	5	1	KHBF	
CC(=O)Oc1ccccc1[C@@]1(c2cccc([N+](=O)[O-])c2)c2ccccc2C[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)N1C(C)=O	961946252	BGVYXKYZRTWHDN-HGSAKIFSSA-N	636.661	3.504	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3c2)cc1	587265033	BRNFLFCGLYWEQG-DMZKTXOQSA-N	542.530	3.723	5	1	KHBF	
C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620475	CMBDWLJGJXTUDE-LXZVDJRGSA-N	526.571	3.876	5	1	KHBF	
Cc1c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C[C@H](N)c2ccccc2F)c(=O)n1Cc1c(F)cccc1F	1857630971	XDYGIUBFRASJHJ-NDEPHWFRSA-N	608.621	3.714	5	1	KHBF	
C[C@H]1CN(c2cnn(Cc3cccc(NC(=O)Nc4ccc(F)cc4[N+](=O)[O-])c3)c(=O)c2Cl)C[C@@H](C)N1	49722826	COZVBPZWDBNQBO-GASCZTMLSA-N	529.960	3.823	5	1	KHBF	
CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	27561660	GKHZZRFAPCFEBL-LJAQVGFWSA-N	603.720	3.679	5	1	KHBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC	4207184	SLDFNKLGSPXALQ-FKVPHHQGSA-N	503.939	3.777	5	1	KHBF	
O=C(Nc1ccc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2)C(=O)O)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	27854504	UZDJXPGRSXEUQF-GOTSBHOMSA-N	564.982	3.804	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169362513	DNTPWIYELJHBBB-ZEZUIMODSA-N	776.840	3.578	5	1	KHBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	4052260	RYOSHVBLNXFWNL-AHWVRZQESA-N	519.510	3.791	5	1	KHBF	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1C[C@@H]2CC[C@H](C1)N2CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	49841247	LZNCTXBZYKCTIY-SZPZYZBQSA-N	648.632	3.850	5	1	KHBF	
CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OCCCCc2ccccc2)[C@@H]1c1ncc([N+](=O)[O-])n1C	40379754	ZVGRWRPIRKEEMR-XMMPIXPASA-N	509.607	3.998	5	1	KHBF	
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)O[C@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@H]12)OCO3	103209713	UTLOYCVTEIDWHM-PWXWPJMESA-N	621.551	3.969	5	1	KHBF	
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C(C)C)cc1	586940049	ZMKDIUVWIBHBCR-RUZDIDTESA-N	502.600	3.971	5	1	KHBF	
CC1(C)CCc2c(cc(OCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)c3c4c(c(=O)oc23)CCCC4)O1	2356856393	VBQVAIKCGVLKJV-MSOLQXFVSA-N	575.618	3.870	5	1	KHBF	
O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4211215	FVSSBRQJQHFRNA-KWOQKUFVSA-N	509.902	3.919	5	1	KHBF	
Cn1c(C(=O)NN2C(=O)CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc(Br)c1Br	95557886	NEPKRHZOAZWWQZ-INIZCTEOSA-N	518.187	3.767	5	1	KHBF	
Cc1cccc(C)c1N(CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C	299868853	SMNONNAPTJQQQL-IOWSJCHKSA-N	667.829	3.542	5	1	KHBF	
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(=O)n2ncc3ccc(Cl)cc3c2=O)CC1	587652328	CFLURZFMLRZARD-UHFFFAOYSA-N	513.938	3.704	5	1	KHBF	
CCO[P@@](=O)(CCCOc1ccc(Nc2ncc([N+](=O)[O-])c(=Nc3ccccc3C(=O)NC)[nH]2)cc1)N1CCOCC1	1857643548	ILCHHCHQJWIWRL-WBCKFURZSA-N	599.585	3.984	5	1	KHBF	
COc1c(C[C@@H](C)OC(=O)C[C@H](C)O)c2c3c(C[C@@H](C)OC(=O)C[C@H](C)O)c(OC)c(=O)c4c(O)cc(OC)c(c5c(OC)cc(O)c(c1=O)c52)c43	238747307	HCAKSUKIJBBNBH-WNRNVDISSA-N	722.740	3.831	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3c(I)cnc(Cl)c3[nH]2)c([N+](=O)[O-])c1	587265636	GPYDTMYIJDYSMB-UHFFFAOYSA-N	664.841	3.753	5	1	KHBF	
CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)ccc2[N+](=O)[O-])CC1	36184834	ZSTREMQKBCZVGE-UHFFFAOYSA-N	568.681	3.966	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3ccc(Br)cc3c3c4c(c5c6cc(Br)ccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](O)[C@@H]1O	49863815	DEZGMCLFUSECBD-KKHBZOHTSA-N	673.314	3.806	5	1	KHBF	
CC1=NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712080	NLOYMUVIARICHF-QFNYJIRUSA-N	597.602	3.738	5	1	KHBF	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	28970914	PAHVQHBDZMQWNM-UCDDGIFISA-N	547.520	3.949	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6n(C)c5c32)C(=O)N(C)C4=O)[C@H](O)[C@H]1O	29399164	MPVYKSPETVLKLL-WNRCEMCNSA-N	598.439	3.599	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCc2ccccc2F)cc1	770131	GTADNIFAUIYWIJ-AHWVRZQESA-N	520.517	3.979	5	1	KHBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@H]1c1cc2cc([N+](=O)[O-])ccc2o1	963663414	AMVHNLSQJWISEN-HWBMXIPRSA-N	501.495	3.544	5	1	KHBF	
CC(=O)N1CCN(C(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2cccc([N+](=O)[O-])c2)CC1	105163872	UOSJSDMJSMBWTJ-UHFFFAOYSA-N	528.491	3.987	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c([N+](=O)[O-])c1	587264924	ASGWBMRYWRCZIZ-UHFFFAOYSA-N	575.472	3.657	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1	4044885	WDBIMTCJJLWMMI-YRSQORNKSA-N	567.599	3.607	5	1	KHBF	
COc1ccc(C2(c3ccccc3)CCN(CCCNC(=O)C3=C(COCCN)NC(C)=C(C(N)=O)[C@@H]3c3ccc([N+](=O)[O-])cc3)CC2)cc1	26732626	WDDPQFVKUCBXKP-UMSFTDKQSA-N	682.822	3.867	5	1	KHBF	
CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82150235	MADKTZTTXABRAK-OAQYLSRUSA-N	502.575	3.804	5	1	KHBF	
CCOC(=O)c1c(N2CCCC2)[nH]c(=O)c(C(c2ccc(Cl)c([N+](=O)[O-])c2)c2c(O)c(C(=O)OCC)c(N3CCCC3)[nH]c2=O)c1O	82182101	MUYXATRAUIMILY-UHFFFAOYSA-N	672.091	3.770	5	1	KHBF	
O=C(NCCCC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCNCC1)OCc1ccccc1	104964415	VFCJYVNMDUIZPP-HSZRJFAPSA-N	594.694	3.735	5	1	KHBF	
COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCCN2CCCC2=O)c([N+](=O)[O-])cc1OC	4310718	RBAJSSUDAHIJDD-UHFFFAOYSA-N	512.494	3.815	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(COC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253655062	JNHZHWAWXANEFT-CKQNWEEOSA-N	762.813	3.536	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N@@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	261101948	GNEIWNURFQPOMA-RHDOBMPUSA-O	591.660	3.999	5	1	KHBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cncc([N+](=O)[O-])c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586911081	KJOUVFXOZZTGSO-FCAKPLADSA-N	614.740	3.771	5	1	KHBF	
Cc1cccc2nc3cccc(C(=O)NCCNCCNCCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12	22453042	SFOADSRLCHRTKT-UHFFFAOYSA-N	586.700	3.835	5	1	KHBF	in-vitro
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@@H](CF)[C@@H](O)[C@@H](O)[C@@H]1O	38363219	LEHQLDQOIPATGT-WLVJIVCISA-N	578.471	3.552	5	1	KHBF	
COc1cc2nc(N3CC[C@H](NC(=O)CCCc4ccc([N+](=O)[O-])cc4)C3)nc(NCCCn3ccnc3)c2cc1OC	105133566	RHIZFELVVZJRIB-QFIPXVFZSA-N	588.669	3.972	5	1	KHBF	
C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C	105163097	JMAAHXRXOXKQFH-OWNOGVFSSA-N	506.607	3.554	5	1	KHBF	
NS(=O)(=O)c1ccc(OCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)cc1	299841370	ZLTMXEAUQWLLGT-UHFFFAOYSA-N	605.650	3.981	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Cl)c(Cl)nc3[nH]2)c([N+](=O)[O-])c1	587266301	KLNQETKBQBXREF-UHFFFAOYSA-N	573.390	3.802	5	1	KHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1	587846437	DOSHWYPUYSRCBF-QUFLZPINSA-N	553.406	3.882	5	1	KHBF	
O=C(O)c1cccc(NS(=O)(=O)c2ccc(NNC(=S)NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)c1	27748985	FBQRMRQPHCFTHU-UHFFFAOYSA-N	554.610	3.609	5	1	KHBF	
O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	1857763326	BJLWEWYLHVPUNR-UHFFFAOYSA-N	508.457	3.586	5	1	KHBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1	963665087	FZYDFFXZXNMBHA-AGJHTDJMSA-N	557.559	3.970	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1	20781787	DBRAKTHLURFTNL-OLLUBJOZSA-N	519.510	3.664	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3c2)cc1	587265035	BRNFLFCGLYWEQG-WHEQGISXSA-N	542.530	3.723	5	1	KHBF	
O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	772617	FVSSBRQJQHFRNA-CKUXNOBLSA-N	509.902	3.919	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)[C@H](F)[C@@H](O)[C@H]1O	261170558	SWORYDJCKUWKPZ-WUFVCCFXSA-N	578.471	3.552	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cccc(OC(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1	587266158	JBQVEKDDFNCVOJ-UHFFFAOYSA-N	587.508	3.999	5	1	KHBF	
Cn1c(C(=O)NN2C(=O)CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc(Br)c1Br	95557887	NEPKRHZOAZWWQZ-MRXNPFEDSA-N	518.187	3.767	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](c2ccc(Sc4ccccn4)c([N+](=O)[O-])c2)(c2ccccn2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587314036	JEILRVQZPGLVQS-WNKOMQSSSA-N	753.742	3.689	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC	4205100	TVPNXXYMEZVHIY-VWNXMTODSA-N	516.982	3.959	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	29206909	PXPYSACVTXZLEY-QNMIOERPSA-N	534.521	3.812	5	1	KHBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccncc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	82157675	QIFGLWSLSZQTRM-YQYWPLEPSA-N	544.589	3.752	5	1	KHBF	
COc1cc2nc(N3CC[C@@H](NC(=O)c4cccc(C)c4[N+](=O)[O-])C3)nc(NCCCn3ccnc3)c2cc1OC	105133380	WXYZFUXCQBLLFX-LJQANCHMSA-N	560.615	3.571	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCc2ccccc2F)cc1	4075639	GTADNIFAUIYWIJ-AOYPEHQESA-N	520.517	3.979	5	1	KHBF	
Cc1c(C=O)c2ccccn2c1[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	587284223	GIDZAKSOCINAML-GIBSYWDMSA-N	759.120	3.775	5	1	KHBF	
COc1cc2cc(NC(=O)c3c(C)noc3-c3ccc([N+](=O)[O-])cc3)c(=O)oc2cc1OCCN1CCOCC1	1772614667	FQAICEGQFKMJHY-UHFFFAOYSA-N	550.524	3.637	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCc2ccccc2F)cc1	4075640	GTADNIFAUIYWIJ-RSXGOPAZSA-N	520.517	3.979	5	1	KHBF	
COC(=O)[C@@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@@]1(OCCn1c([N+](=O)[O-])cnc1C)c1ccccc1	44086445	JUXQVALHKFYTBT-VIZCGCQYSA-N	556.575	3.963	5	1	KHBF	
CO[C@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4)[C@H](O)[C@H]1O	169364102	QZADSWDHADURFQ-KKUHHXHJSA-N	570.429	3.948	5	1	KHBF	
COc1ccc([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)cc1COc1ccc([N+](=O)[O-])cc1Cl	587283900	FUUZWRSGFYHCJE-BGQHGEOJSA-N	738.098	3.786	5	1	KHBF	
C[C@H]1COc2c(N3CCC(O)(c4ccc(Cl)cc4)CC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23	29126811	SAZXAWGPECSZRT-LBPRGKRZSA-N	517.897	3.842	5	1	KHBF	
CN(C)C(C)(C)COC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82086097	OARHAYZDUXNYGE-NRFANRHFSA-N	526.615	3.917	5	1	KHBF	
COc1ccc([N+](=O)[O-])cc1N1CCN(CCN2C(=O)c3cc(I)ccc3[C@@]2(O)c2ccccc2)CC1	84462215	JPVIDVHVKGBTGA-MHZLTWQESA-N	614.440	3.679	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2cccc4ccc5ccccc5c24)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587314457	ZIYQPQHEVGJITP-APFQIPFXSA-N	622.626	3.944	5	1	KHBF	
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-c2cccc(Br)c2[N+](=O)[O-])cc1	587937496	SQYKOOWNRHURMK-QZLZEONASA-N	787.477	3.566	5	1	KHBF	
CC/N=c1/cc2oc3cc(NCCC(=O)N[C@@H](CCC(=O)OC)C(=O)OC)c4ccccc4c3nc-2cc1C	29059140	NUPVZEYJACVANV-FICJDRBXSA-N	532.597	3.728	5	1	KHBF	
CN(C)CCN(C)CCNC(=O)c1cccn1S(=O)(=O)c1ccc(NNC(=S)NC2c3ccccc3CCc3ccccc32)c([N+](=O)[O-])c1	95560120	QGTPDQUKWCFOHH-UHFFFAOYSA-N	704.879	3.536	5	1	KHBF	
COc1cc2nc(N3CCN(CCNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCc3ccco3)c2cc1OC	105127696	MSPFRXCDUSBPLG-UHFFFAOYSA-N	575.626	3.621	5	1	KHBF	
Cc1cc(=Nc2nc(Nc3ccc(C(=O)NC4CC(C)(C)N([O])C(C)(C)C4)cc3)ncc2[N+](=O)[O-])[nH]o1	1857566582	PCFXXIVLEDCEPX-UHFFFAOYSA-N	509.547	3.687	5	1	KHBF	
CCn1nc(C)c(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(=O)OC)c1C	587621688	ZNASUZXKMGMYTD-UHFFFAOYSA-N	555.569	3.741	5	1	KHBF	
COc1ccc(CNc2ccc(C(=O)NCCCN(C)C)c3[nH]c4c([N+](=O)[O-])cccc4c(=O)c23)cc1	1772625218	CLPHCRMNIGTGCR-UHFFFAOYSA-N	503.559	3.892	5	1	KHBF	
O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4055966	SVCCLVLLBJUFIL-UODBTFMRSA-N	523.929	3.789	5	1	KHBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1c1ccccc1[N+](=O)[O-]	26491466	RQFLHLQXMZXOHO-CYBWEPMMSA-N	555.565	3.621	5	1	KHBF	
CCCCOC(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82080976	NIYHGMZSZOKEEL-HXUWFJFHSA-N	511.556	3.946	5	1	KHBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccncc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725844	QIFGLWSLSZQTRM-WJFHBKAXSA-N	544.589	3.752	5	1	KHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1	586949589	ZYTBYKBOIZKREZ-UHFFFAOYSA-N	506.588	3.999	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587293552	JOLRQYLMAGKMLK-QVOCDDILSA-N	696.036	3.540	5	1	KHBF	
O=C1Nc2ccc(OC(F)(F)F)cc2[C@@]12N[C@H](Cc1cnc[nH]1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccccc1Cl	1857590483	UKAQIGGHAYIDQJ-HDAAZOAOSA-N	507.856	3.753	5	1	KHBF	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN[C@H]1C[C@@H]1NCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	49844815	XBIHVHLVWYPAQC-SVBPBHIXSA-N	636.621	3.802	5	1	KHBF	
COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCN3CCCC3=O)c2cc1OC	105118872	DOXNDUSRHLMEEV-UHFFFAOYSA-N	579.658	3.910	5	1	KHBF	
CCCc1c(OC[C@@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2CC)ccc(C(C)=O)c1O	169338665	ALAHVBMQAJLDGZ-AWEZNQCLSA-N	501.488	3.649	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195187365	DNTPWIYELJHBBB-NWADZMOTSA-N	776.840	3.578	5	1	KHBF	
CCOC(=O)c1c(-c2cc(C)nn2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621686	ZMODPBAYYWIVBF-UHFFFAOYSA-N	513.532	3.771	5	1	KHBF	
COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(N[C@@H]3CCCCNC3=O)c2cc1OC	105139216	HPPHXLKEVLKZNN-HXUWFJFHSA-N	579.658	3.812	5	1	KHBF	
COCCOc1ccc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1[N+](=O)[O-]	587264196	CQOGXAVEYQMLGD-UHFFFAOYSA-N	578.607	3.762	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1	4041747	AOSDHAHNAUUCFX-AOYPEHQESA-N	520.517	3.979	5	1	KHBF	
C[C@@]12Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(NC(=O)CCc1ccc([N+](=O)[O-])cc1)CCC2=O	13833399	PDLDCRKROORTJW-UJLGHMMASA-N	531.609	3.580	5	1	KHBF	
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])CC2	38143387	URBMDGAWDNTJOK-SFHVURJKSA-N	542.566	3.622	5	1	KHBF	
O=C(O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1OC(=O)c1ccc(F)c([N+](=O)[O-])c1)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1	66075904	FTYFPULTQVDRDF-DNCCOOCZSA-N	614.558	3.637	5	1	KHBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C5CCN(c6ccc([N+](=O)[O-])c(C(N)=O)c6)CC5)[nH]c4c3)cc2)CC1	587263248	PGYJQCFTLDBTFY-UHFFFAOYSA-N	610.719	3.996	5	1	KHBF	
COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(C)(C)C)cc1NS(=O)(=O)C[N+]12CCN(CC1)CC2	653718366	RNSCOCBEIXDIIF-UHFFFAOYSA-O	694.875	3.524	5	1	KHBF	
COc1ccc([C@@H]2CC(=O)c3c(O)cc(OCC(=O)N4CC[N+](C)(Cc5ccc(OC)c(OC)c5OC)CC4)cc3O2)cc1O	43910688	ONRSCXSKGNKRBE-NDEPHWFRSA-O	623.679	3.707	5	1	KHBF	
C[C@@]12Oc3c(O)ccc4c3[C@]13CCN(CC1CC1)[C@H](C4)[C@]3(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CCC2=O	100722759	RIXFPTSTMBDFAF-WWXMSMKXSA-N	529.593	3.661	5	1	KHBF	
CC(=O)OC[C@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	27094070	APBWYWHXIZTNSS-OVRGUSQHSA-N	669.643	3.910	5	1	KHBF	
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)c2cccc([N+](=O)[O-])c2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	169364670	RTXSMQCFFXZLPU-MZXODVADSA-N	898.915	3.644	5	1	KHBF	
N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2c3cccnc3c3ncccc3c2[nH]1	587046124	XZVGUKRZAURGON-RNVDEAKXSA-N	546.701	3.671	5	1	KHBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@H](C2(c4ccc(O)cc4)CCCC2)[C@@H]1O)[C@@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@@]3(O)CO	2356565338	ACAPZJJFQZHIQT-XKHXJWEMSA-N	752.861	3.891	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4044892	SSTUAKRWWAMMIQ-FODJJAHYSA-N	583.642	3.895	5	1	KHBF	
Nc1ccccc1CNC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104967571	RAQZGRCNSUHYNB-QFIPXVFZSA-N	531.594	3.932	5	1	KHBF	
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	586939766	FGAVKNUYIAKZAN-FQEVSTJZSA-N	500.584	3.610	5	1	KHBF	
CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)C(F)(F)F	587617603	GHZPWTOZJOTWTK-UHFFFAOYSA-N	515.422	3.807	5	1	KHBF	
CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2N2CCOCC2)c(C)n1	587620810	HJZZBDOUXCPLMO-UHFFFAOYSA-N	540.602	3.914	5	1	KHBF	
O=[N+]([O-])c1cc(-c2csc(N[C@H](CO)c3nc4ccccc4n3CCOCCO)n2)ccc1Cl	12507235	DUUPMTAWGXFJIV-QGZVFWFLSA-N	503.968	3.876	5	3	KHBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c1[N+](=O)[O-])C2	101660693	CUVZAJHHFOUFRH-KBPBESRZSA-N	537.570	3.980	5	1	KHBF	
COCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1c1cccc([N+](=O)[O-])c1	26485392	RVVLRTCRCNJNJP-NJEMLTPYSA-N	599.618	3.638	5	1	KHBF	
COc1c(OC[C@H](O)CN2CCOCC2)cc2oc3cc(OC[C@@H](O)CN4CCOCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	206912093	BFTJLYXXCOEQDG-RRPNLBNLSA-N	696.838	3.822	5	1	KHBF	
O=C(NCCc1c[nH]c2ccccc12)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12	2356845694	ADPMDMIGEWKQSZ-CDEJRORUSA-N	523.593	3.761	5	1	KHBF	
CC(=O)N1CCN(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)CC1	82135788	LZJFPJRXTXWDNH-UHFFFAOYSA-N	508.966	3.664	5	1	KHBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cncc([N+](=O)[O-])c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586911095	KJOUVFXOZZTGSO-WQVNBGFZSA-N	614.740	3.771	5	1	KHBF	
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O	586998848	QECXGMIVOVMPBO-QSMFRWBDSA-N	666.441	3.602	5	1	KHBF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@]1(COc1ccccc1[N+](=O)[O-])C(C)(C)C	961946328	BQOHPJOEFVJKRN-AMIUEWMLSA-N	588.661	3.607	5	1	KHBF	
CCCCN(CCCC)CCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104960197	XQKNKEFVDQHKAN-OAQYLSRUSA-N	578.761	3.662	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195216599	QSDYWKIHXOZPDJ-CHRWIUBRSA-N	790.867	3.969	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253674075	DNTPWIYELJHBBB-WRDSPIQFSA-N	776.840	3.578	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(COC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195259289	JNHZHWAWXANEFT-KWVZESGRSA-N	762.813	3.536	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906890	FVLITXWQIQHAHI-ZHLZHZPNSA-N	581.666	3.868	5	1	KHBF	
COC(=O)[C@H](CCCCN)NC(=O)COc1cc(OCC=C(C)C)cc2oc3cc(OCC=C(C)C)cc(OCC(=O)N[C@@H](CCCCN)C(=O)OC)c3c(=O)c12	1772642673	GBQQOLORWUGZRA-KYJUHHDHSA-N	796.915	3.967	5	1	KHBF	
CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587204410	JJEVHUQZNNROAY-JOYGVZFFSA-N	594.600	3.632	5	1	KHBF	
CCCCCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)N[C@@H]1CCOC1=O	587620483	CWMBBFZEIUVKNI-LJQANCHMSA-N	544.586	3.664	5	1	KHBF	
O=C(Nc1cccc2c(=O)c3c(sc4c(=O)c5cccc(NC(=O)C(F)(F)F)c5c(=O)c43)c(=O)c12)C(F)(F)F	1857594817	ONJWSRBPVZZNIJ-UHFFFAOYSA-N	566.391	3.679	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4=O)[C@H](OC(C)=O)[C@@H]1O	27655267	DJEHIHYFWKWDGG-WNRCEMCNSA-N	612.422	3.817	5	1	KHBF	
COc1cc2nc(N3CCCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCn3ccnc3)c2cc1OC	105125751	IIDNILVFNGCQLG-UHFFFAOYSA-N	574.642	3.915	5	1	KHBF	
COc1cc2c(=O)oc3c(OC)c(O[C@@H]4C[C@H](OC(=O)c5cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c5)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O4)cc4c(=O)oc(c1OC)c2c34	2356639588	VNUQKLQMVUSMET-KCIBBDPESA-N	852.707	3.506	5	1	KHBF	
COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	770141	DTIOSGUDESTSRO-AZGAKELHSA-N	518.526	3.806	5	1	KHBF	
CCCCNC(=O)[C@H](C)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C	96023015	VPRWOMAVFGOQJF-CMVGPNDKSA-N	692.814	3.924	5	3	KHBF	
COc1ccc(CCNC(=O)[C@@]23CN(Cc4ccccc4)C[C@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1	253982873	JNTGSIIBFRFFDE-LBNVMWSVSA-N	500.555	3.567	5	3	KHBF	
COCCCNC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1	82134578	UVTXSEHSZBNUTR-UHFFFAOYSA-N	509.563	3.514	5	1	KHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1	587850398	PQKZUMMFBVQTHW-WTZMJGJUSA-N	553.406	3.882	5	1	KHBF	
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@@](C)(O)[C@@H]3O)c21	2356327956	LTQMETLCTOYANG-ZHSWNNAVSA-N	550.560	3.969	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)NCc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cccc12	586941658	LZMJCZLZZQHDAR-UHFFFAOYSA-N	504.366	3.931	5	1	KHBF	
Cc1c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C[C@H](N)c2cccc(F)c2)c(=O)n1Cc1c(F)cccc1F	1857629813	KXWUIWSCCPNHLE-NDEPHWFRSA-N	608.621	3.714	5	1	KHBF	
COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	4045954	VFVPXAQDCATVHN-IXCJQBJRSA-N	562.579	3.857	5	1	KHBF	
CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620727	FYKWCRLCGPGZQE-UHFFFAOYSA-N	622.612	3.875	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1	4206169	FNSVYDYOUJBIBM-GMAHTHKFSA-N	520.417	3.747	5	1	KHBF	
CCOC(=O)c1cc(Br)c2[nH]c(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc2c1	586940622	BIZCYBHMARWMGJ-UHFFFAOYSA-N	529.394	3.611	5	1	KHBF	
CCOc1ccc(-c2nn(C(=O)c3ccn(Cn4nc(C)c([N+](=O)[O-])c4C)n3)c(=O)c3ccccc23)cc1OCC	587669431	MWNCQUVKIHPHCP-UHFFFAOYSA-N	557.567	3.973	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC	4207185	SLDFNKLGSPXALQ-QPFPPLLLSA-N	503.939	3.777	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@@](=O)(OCCO)Oc4ccc([N+](=O)[O-])cc4)C=C[C@@]31CCN(C)C2	49708347	KPPVPGHKOBVLQY-ZDXQGDSVSA-N	532.486	3.979	5	1	KHBF	
Cc1onc(-c2c(F)cccc2F)c1C(=O)N1CCN(c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)CC1	29127237	JIECCEAEUBBQML-GFCCVEGCSA-N	613.505	3.904	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906140	BWNPGHQRDSVGGF-JAFRVEQESA-N	581.666	3.868	5	1	KHBF	
O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12	587271191	ABCIQXBSNCIIRF-PMACEKPBSA-N	529.431	3.775	5	1	KHBF	
O=C(N[C@H](CSCc1ccccc1)C(=O)N1CCCNCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1	82084623	IVNYEWQHRBFUPK-OAQYLSRUSA-N	525.656	3.572	5	1	KHBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1	586920991	UNRYOTUJEGYALV-UHFFFAOYSA-N	506.949	3.899	5	1	KHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1	587118450	QDPCYHKSWWNCJW-UHFFFAOYSA-N	567.467	3.966	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nc(C)c([N+](=O)[O-])c3C)c2c1	587621600	WPIMTZRQOJXAJH-UHFFFAOYSA-N	500.493	3.905	5	1	KHBF	
COC(=O)c1cc([N+](=O)[O-])cn1CC(I)=C(I)I	27646622	ZNLNXGYKLBEOMD-UHFFFAOYSA-N	587.877	3.657	5	1	KHBF	
COc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(-c3ccccc3)nn1C)cn2CCCCCC(=O)NO	138934410	NLXXZPSBONILNE-UHFFFAOYSA-N	503.559	3.729	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)C=C[C@@H]3C[C@H]([C@H](C(O)O)C4(c5ccc(O)cc5)CCCCC4)O[C@@H]1[C@]32O	2356718854	ICEUPDCRYRITTG-OGHYBQKVSA-N	737.802	3.930	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](O)[C@]1(C)O	299813588	YZDMVXIDDQUZOM-QNRVZTLNSA-N	972.253	3.556	5	1	KHBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577090	QXSMBRANAQTBSZ-ICIVADJRSA-N	537.521	3.979	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1OC[C@H](CO)C1(c2ccc(O)cc2)CCCCC1	2356745335	SMRBJHIDMYGOLV-YOPJYYGBSA-N	671.743	3.914	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)[C@H](O)[C@@H]1O	38151906	FDNDTODTDPFKCS-VZWYKBOVSA-N	556.402	3.606	5	1	KHBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccncc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	82157679	QIFGLWSLSZQTRM-FQUABCPJSA-N	544.589	3.752	5	1	KHBF	
C[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1	963664110	CVDUYEZKOMFKMX-RZPFDVGOSA-N	509.946	3.625	5	1	KHBF	
CC[C@H](C)C[C@H](C)/C=C(/C=C(C)/C=C/C=C/C=C/C=C/C=C/c1cc2c(c(=O)o1)[C@H](O)[C@@H](O)[C@H]([C@@H](O)[C@H](O)CO)O2)C(=O)O	253770462	GDSQFNQIWJCATH-GDDQXZDQSA-N	612.716	3.777	5	1	KHBF	
COC(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620948	KAMSGURWZXLNGC-UHFFFAOYSA-N	513.532	3.689	5	1	KHBF	
COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	767342	PWLBLEZSIRNRSD-BVAGGSTKSA-N	519.510	3.791	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)CC[C@@H]3[C@@H]4CC[C@H](O)[C@H](Cc5ccc(O)cc5)[C@@H]4O[C@@H]1[C@]32O	2356361988	CEENTTNOSPYUFR-AMFHLHJRSA-N	681.738	3.564	5	1	KHBF	
C[C@H]1CN(c2cnn(Cc3ccc(NC(=O)Nc4ccc(F)cc4[N+](=O)[O-])cc3)c(=O)c2Cl)C[C@@H](C)N1	49745013	JJAGUHSTEISFJJ-GASCZTMLSA-N	529.960	3.823	5	1	KHBF	
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4)O[C@@H]1CO	100804855	KZYFWRQNBSFZCG-BWGBCMEMSA-N	556.402	3.606	5	1	KHBF	
Nn1c(SC[C@@]2(c3ccccc3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1	963237800	UTPACXNPNXHPCJ-YWEHKCAJSA-N	553.604	3.750	5	1	KHBF	
C[N+](C)(C)CCCOc1c(I)cc(CC[N+](C)(C)C)cc1I	85975675	URXONWQRNZJBQA-UHFFFAOYSA-N	532.248	3.620	5	1	KHBF	
CCOC(=O)C1=C(C)N(C(C(=O)OCC)C(=O)OCC)C(C)=C(C(=O)OCC)C1/C=C/c1ccc([N+](=O)[O-])cc1	103258845	VLXPIXXKTPIKAG-DTQAZKPQSA-N	558.584	3.709	5	1	KHBF	
CN(C)CCNc1cc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(NCCN(C)C)c3c(=O)c4cc(O)ccc4[nH]c23)cc2[nH]c3ccc(O)cc3c(=O)c12	95546263	ZKDKXARZFLKHEO-UHFFFAOYSA-N	791.954	3.906	5	1	KHBF	
CCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3ccc(Br)cc3c(=O)c12	101178223	VODIBZBMKNWZRL-UHFFFAOYSA-N	512.495	3.980	5	1	KHBF	
COc1cc2nc(N3CCC(CNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCN3CCOCC3)c2cc1OC	105136031	UKFJQWDBBFDNFG-UHFFFAOYSA-N	607.712	3.644	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4153750	JLGUHZXFVYHSGP-VVHBXYOFSA-N	568.583	3.940	5	1	KHBF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	105164738	TUXWZXMYUSVZKM-QGZVFWFLSA-N	528.491	3.702	5	1	KHBF	
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc([N+](=O)[O-])c([N+](=O)[O-])cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1	587176452	KQORIVYHKAETQT-PHIMTYICSA-N	554.514	3.743	5	1	KHBF	
O=C1C[C@H](c2ccccc2Br)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)c(CO)c2)N1Cc1cccnc1	26492634	SSSXDIKTCGARGT-FOVJLYNBSA-N	512.360	3.945	5	1	KHBF	
C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C	82147979	XUJKVVDDYIMTKL-WDOPAGCPSA-N	506.607	3.554	5	1	KHBF	
CCN(CC)C(=O)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C1	40873132	CTQJIMNKEDJPNQ-INIZCTEOSA-N	510.522	3.821	5	1	KHBF	
C[C@H]1CN(c2cnn(Cc3cccc(NC(=O)Nc4ccc(F)cc4[N+](=O)[O-])c3)c(=O)c2Cl)C[C@H](C)N1	49722827	COZVBPZWDBNQBO-GJZGRUSLSA-N	529.960	3.823	5	1	KHBF	
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1	586932963	HHLLSESZYKTQKT-UHFFFAOYSA-N	558.370	3.978	5	1	KHBF	
CN1CCC[C@H]1COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82086103	WLOWPHBJZBHBJV-FCHUYYIVSA-N	524.599	3.671	5	1	KHBF	
O=c1c2cc(CS(=O)(=O)NCc3ccccn3)ccc2ccc2ncc(-c3cnn(C4CCNCC4)c3)cc12	95583365	GVFOWLBJJRVCFI-UHFFFAOYSA-N	540.649	3.551	5	1	KHBF	in-vitro
Nc1ccccc1CNC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104967575	RAQZGRCNSUHYNB-JOCHJYFZSA-N	531.594	3.932	5	1	KHBF	
C/C=C/C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620474	CMBDWLJGJXTUDE-LDKWQNRBSA-N	526.571	3.876	5	1	KHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])N1	587744234	GNYWBDWADSGFBB-ASSNKEHSSA-N	504.316	3.796	5	1	KHBF	
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@H](C)C(=O)NCCn3c(C)cnc3[N+](=O)[O-])[nH]c3ccc(Cl)cc23)c1	1772594013	BCFLKNZFIVYNBU-QGZVFWFLSA-N	587.058	3.619	5	1	KHBF	
C[C@@](O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857578418	MZYPCHJYQAVIPV-MRXNPFEDSA-N	500.373	3.796	5	1	KHBF	
CN(C)CCOCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104962080	PWJOFZPIGZRVPZ-QHCPKHFHSA-N	558.682	3.872	5	1	KHBF	
Cc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1C	587265454	FFDJJOOJDIJWJB-UHFFFAOYSA-N	531.566	3.717	5	1	KHBF	
O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	587275644	CVRSRVOXAPKOCH-SFHVURJKSA-N	560.382	3.763	5	1	KHBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	4076327	MLZCFGWXDMBWAX-GEWUYGHSSA-N	534.569	3.620	5	1	KHBF	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([N+]5([O-])CCN(C(=O)[C@@H]6CCCN6C(=O)C6=CN[C@@H]7C=CC=CC7=C6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O	299832365	GBVFUMQLSCGKQL-NBILVFBVSA-N	646.873	3.785	5	1	KHBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	587866773	OZYMGZFVMKJIIV-UHFFFAOYSA-N	526.493	3.886	5	1	KHBF	
CC(=O)Oc1ccccc1[C@]1(c2cccc([N+](=O)[O-])c2)c2ccccc2C[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)N1C(C)=O	961946264	BGVYXKYZRTWHDN-WQDXIGEJSA-N	636.661	3.504	5	1	KHBF	
CN(C)CCCNC(=O)/C=C/c1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2C[C@H](CO)C5)CNC3=O	28819619	OPRAUJGAKIICCS-WAEYIKQSSA-N	535.648	3.849	5	1	KHBF	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1	66251885	FCIKHHKIRCCKKR-RXJWUWLLSA-N	607.593	3.966	5	1	KHBF	
CCOC(=O)C1=C(C)NC(CN(C)CC(C)(C)NC[C@H](O)COc2ccccc2OC)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	67887079	FCIFTJJAUMNBNF-QCDSWUKFSA-N	654.761	3.684	5	1	KHBF	investigational
CN1CCC[C@H]1COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086187	RPVTYWXVUATGBV-PZJWPPBQSA-N	524.599	3.671	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)cc1	586952644	JTGVOZLLXPTGOX-QXMHVHEDSA-N	578.607	3.769	5	1	KHBF	
O=C(OCCOCCOCCOCCO)OCOc1c(Br)cc(Br)c2nc3ccccc3nc12	1857651285	PRRCBSQPTHFKKR-UHFFFAOYSA-N	604.248	3.840	5	1	KHBF	
O=C(NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1)c1ccc(Br)o1	49694987	KNEGXKFANICKGK-KRWDZBQOSA-N	592.378	3.760	5	1	KHBF	
Nc1nc(=S)[nH]c2c1[C@H](c1ccc([N+](=O)[O-])cc1)c1sc(Nc3ccc(S(N)(=O)=O)cc3)nc1O2	103209534	BEBGWBOGCJDMJP-ZDUSSCGKSA-N	529.585	3.763	5	1	KHBF	
CS(=O)(=O)Nc1ccc(NC(=O)Cn2cc(COc3ccc([N+](=O)[O-])cc3)nn2)cc1Oc1ccccc1	103253824	SYLIGJHTFMQFDB-UHFFFAOYSA-N	538.542	3.568	5	1	KHBF	
CCN(CC)CCCNc1nc(N2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	105116371	YUMCWYXSPDVONB-UHFFFAOYSA-N	565.675	3.970	5	1	KHBF	
CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1	105176399	JXVMELXULIXXEI-SAVREHANSA-N	506.607	3.839	5	1	KHBF	
COc1c(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	44417138	WRHSMSIVBMFVIQ-LBPRGKRZSA-N	570.559	3.917	5	1	KHBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cncc([N+](=O)[O-])c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586911090	KJOUVFXOZZTGSO-FGGODPIQSA-N	614.740	3.771	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc(COc4cc(F)ccc4[N+](=O)[O-])[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587159195	MFFXWXYVGWAFNJ-UHFFFAOYSA-N	552.544	3.788	5	1	KHBF	
CCOC(=O)N1CCC(NC(=O)[C@H](CCSC)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1	82222848	RSJINNDIXOBFEN-SFHVURJKSA-N	507.638	3.989	5	1	KHBF	
C[N@@+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N@@+]4(C)CCCC[C@@H]4CO)ccc2-3)CCCC[C@H]1CO	253687927	BKDMICIBSRKEST-FJJSOOMYSA-P	578.754	3.538	5	1	KHBF	
Cc1cc(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	2356832818	IDQPDUNOYMGFOU-UHFFFAOYSA-N	674.570	3.578	5	1	KHBF	
CCCc1nc(C(C)(C)O)c(C(=O)NCCCCCC[N+](=O)[O-])n1Cc1ccc(-c2ccccc2C2=NNNN2)cc1	64539457	MDIMOQWCVYFJMS-UHFFFAOYSA-N	576.702	3.619	5	1	KHBF	
Nn1c(SC[C@]2(c3ccc(Cl)cc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)nnc1-c1ccc([N+](=O)[O-])cc1	962900579	IZTMBONAVZVMSZ-SQJMNOBHSA-N	554.991	3.994	5	1	KHBF	
COc1cc(CNc2ccc(C(=O)NCCN(C)C)c3[nH]c4c(C)cccc4c(=O)c23)cc(OC)c1OC	1772574160	LIGQVWHTEVDQJA-UHFFFAOYSA-N	518.614	3.919	5	1	KHBF	
O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=S)Nc4cccc([N+](=O)[O-])c4)CC3)c(F)cc2c1=O	1857566814	WVNRKHMSGGFHQR-UHFFFAOYSA-N	511.535	3.601	5	1	KHBF	
CC[C@H](C)C[C@H](C)C=C(C=C(C)C=CC=CC=CC=CC=Cc1cc2c(c(=O)o1)[C@H](O)[C@H](O)[C@H]([C@H](O)[C@H](O)CO)O2)C(=O)O	2356540666	GDSQFNQIWJCATH-YDOQPCEASA-N	612.716	3.777	5	1	KHBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Br)c2[nH]1	587263986	IUVJWLLRIHJEPP-KBUNVGBDSA-N	516.106	3.833	5	1	KHBF	
O=c1c2c(O)c(-c3cc(O)c4oc5cc(O)cc(O)c5c(=O)c4c3O)c(O)cc2oc2c(O)ccc(O)c12	44388020	COINEBBLGOMOLL-UHFFFAOYSA-N	518.386	3.518	5	1	KHBF	biogenic
O=C(N[C@@H](CSCc1ccccc1)C(=O)N[C@H]1CCCCNC1=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104961407	XJXAUONRGDAKTA-PMACEKPBSA-N	553.666	3.535	5	1	KHBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@@H](C(=O)O)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715753	LKPWIPQTSCWMKP-KAYWLYCHSA-N	576.650	3.841	5	1	KHBF	
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCN(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1	299820200	CHZXGDFVSZSVRR-UHFFFAOYSA-N	564.650	3.585	5	1	KHBF	
CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	95603685	TWDOXCPTSBQPQN-QGZVFWFLSA-N	519.484	3.634	5	3	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(COC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169355707	JNHZHWAWXANEFT-DAWSOKSASA-N	762.813	3.536	5	1	KHBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccncc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725846	QIFGLWSLSZQTRM-JFECRIIYSA-N	544.589	3.752	5	1	KHBF	
O=[N+]([O-])c1ccc([C@H](N2CCOCC2)N2[C@@H](c3ccccc3)C[C@H](O)N2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	1772587225	BWQOOSMCKQGJAF-DMTNHVFBSA-N	550.528	3.929	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@](=O)(NCCO)Oc4ccc([N+](=O)[O-])cc4)C=C[C@@]31CCN(C)C2	49708775	VOOJGRHRLRQAGX-ZDXQGDSVSA-N	531.502	3.552	5	1	KHBF	
O=C(O)CN(CC(=O)O)c1ccc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)cc1OCCOc1cc([N+](=O)[O-])ccc1N(CC(=O)O)CC(=O)O	87515551	DFCRUBKUVOJCOV-UHFFFAOYSA-N	767.603	3.866	5	1	KHBF	in-vitro
CC(=O)OC[C@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	49733978	APBWYWHXIZTNSS-KGGZOIKRSA-N	669.643	3.910	5	1	KHBF	
COc1ccc(OC)c(C(=O)N[C@@H](CC(N)=O)c2ccc(NCc3ccc(F)c(F)c3)c([N+](=O)[O-])c2)c1	15937555	SUMVPOGPJNOVIP-NRFANRHFSA-N	514.485	3.849	5	3	KHBF	
CCOC(=O)N1CCC(NC(=O)[C@H](CCSC)Nc2nc(-c3ccc(OC)c([N+](=O)[O-])c3)cs2)CC1	105224845	RLDYVNNXGKAWDQ-KRWDZBQOSA-N	537.664	3.998	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Cl)cc(F)c3[nH]2)c([N+](=O)[O-])c1	587266630	MCMJLPVHJJFTMG-UHFFFAOYSA-N	555.947	3.893	5	1	KHBF	
Cc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1F	587267077	SVCPKRGNHTWHSQ-UHFFFAOYSA-N	535.529	3.548	5	1	KHBF	
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4)O[C@@H]1CO	169364100	QZADSWDHADURFQ-SWGXUMBPSA-N	570.429	3.948	5	1	KHBF	
O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1	586944391	UVYRVUDHMZUFMX-UHFFFAOYSA-N	556.826	3.845	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])c1	587264955	AYGJNFPJFHMCCJ-UHFFFAOYSA-N	627.405	3.771	5	1	KHBF	
CCOC(=O)c1c(-c2cnn(CC)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620951	KMGNERXJFRMYSU-UHFFFAOYSA-N	513.532	3.946	5	1	KHBF	
CN(C)CCCNC(=O)/C=C/c1ccc2c(c1)c1c3c(c4c5ccccc5n5c4c1n2C[C@@H](CO)C5)CNC3=O	28819617	OPRAUJGAKIICCS-BQYDLMEBSA-N	535.648	3.849	5	1	KHBF	
C[C@@H]1CN(c2cnn(Cc3ccc(NC(=O)Nc4ccc(F)cc4[N+](=O)[O-])cc3)c(=O)c2Cl)C[C@@H](C)N1	49745017	JJAGUHSTEISFJJ-HUUCEWRRSA-N	529.960	3.823	5	1	KHBF	
CC(C)(C)c1ccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n1	587265768	HIVSLUGOVLIJIH-UHFFFAOYSA-N	560.608	3.793	5	1	KHBF	
O=C(CCCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)NCCN1CCN(c2cccc(Cl)c2Cl)CC1	49708506	GILOZXFAZWREAL-UHFFFAOYSA-N	532.432	3.743	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	95549345	UKHJYZJJBABWSA-OJAZTNHZSA-N	766.926	3.606	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Oc4cccc(Cl)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587284924	IYMYGGJPCPCHTE-CUOCVEGISA-N	694.045	3.991	5	1	KHBF	
CN(CCN(C)C(=O)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)c1coc2ccccc2c1=O	653780737	CASABOSNGORYTE-UHFFFAOYSA-N	588.598	3.737	5	1	KHBF	
C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(C(=O)O)c3ccc([N+](=O)[O-])cc3)c(O)c2C(=O)O1	962933963	IBZGPLQXLLAVFH-KNPSSNJDSA-N	580.933	3.535	5	1	KHBF	
CC(=O)OC[C@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	27094056	APBWYWHXIZTNSS-IIDWSWRYSA-N	669.643	3.910	5	1	KHBF	
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C[C@@H]5CO5)CCC[C@]4(C)[C@H]2C[C@H]1C[C@@H]3C(=O)OC[C@H](O)C[N+](C)(C)C[C@H]1CO1	299829013	HMYOJBGBUPGQEX-QTSCQRQGSA-N	690.963	3.576	5	1	KHBF	
COc1cc2oc3c(O)c4ccc5cc6c(c(O)c5c4c(O)c3c(=O)c2cc1O)C(=O)N1CCO[C@]1(C)C6	2356326653	ZBHFQOHVCPGKBZ-MUUNZHRXSA-N	515.474	3.828	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc([N+](=O)[O-])cc5)[C@@H](C2)N(CC2CC2)CC[C@]314	26942309	HIVXXDSZTCJSFW-WDJVXPEUSA-N	529.593	3.574	5	1	KHBF	
CN(C)CCOCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104962503	VZHRUUMLVBMIRO-JOCHJYFZSA-N	558.682	3.872	5	1	KHBF	
Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccc(F)cc4)c(=N)n(CCc4cccs4)c3nc12	1857603117	VRVYFHQPZZXJKC-UHFFFAOYSA-N	501.587	3.853	5	1	KHBF	
COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NC[C@H](C)O)c2cc1OC	105139320	AXRUHJJVCDGWCC-SFHVURJKSA-N	554.648	3.925	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906888	FVLITXWQIQHAHI-JPRWWCEJSA-N	581.666	3.868	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc5nc6ccccc6nc5cc4[nH]3)cccc12	586938389	XIFAGUYUHLAZGH-XMMPIXPASA-N	539.621	3.774	5	1	KHBF	
NC(=O)[C@@H]1CCCN1C[C@H]1Cc2cccc3c4c5c(c6c7ccc(F)cc7[nH]c6c4n(c23)C1)C(=O)NC5=O	14945631	FGKHDSIXELCLRY-YJYMSZOUSA-N	509.541	3.574	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCOc2ccccc2)cc1	4044716	UIJFNEBKLOYAOI-AOYPEHQESA-N	518.526	3.677	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@H](CO)Cc1ccccc1	4153637	ZBHYTLLDMBTCON-BJHZDCIISA-N	549.580	3.822	5	1	KHBF	
O=C(N[C@H](CSCc1ccccc1)C(=O)N[C@H]1CCCCNC1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104961005	VDDGUJGUVPYJIZ-LEWJYISDSA-N	553.666	3.535	5	1	KHBF	
COc1cc2nc(N3CCC(CNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NC[C@H](C)O)c2cc1OC	105136568	WGWKTQHVLQMTOC-IBGZPJMESA-N	566.659	3.703	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@@H](CCCCNC(=O)OCc2ccccc2)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)CC1	163562802	NTTHAMLXEQDNBG-AREMUKBSSA-N	651.790	3.667	5	1	KHBF	
C/C=C1/C[N+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34	238741133	LXXRGYCTYCLKTC-HHTPYUISSA-N	576.646	3.603	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)C=C[C@@H]3C[C@H]([C@H](C(O)O)C4(c5ccc(O)cc5)CCCCC4)O[C@@H]1[C@@]32O	2356718855	ICEUPDCRYRITTG-QCEBIPNBSA-N	737.802	3.930	5	1	KHBF	
COc1c(C[C@H](C)OC(=O)C[C@@H](C)O)c2c3c(C[C@H](C)OC(=O)C[C@@H](C)O)c(OC)c(=O)c4c(O)cc(OC)c(c5c(OC)cc(O)c(c1=O)c52)c43	85773169	HCAKSUKIJBBNBH-BDXSIMOUSA-N	722.740	3.831	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1	163553468	YFCHTAQZDNTFDK-MHZLTWQESA-N	651.790	3.667	5	1	KHBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1	587273306	GOKOYPXABOMIOV-IBGZPJMESA-N	516.606	3.514	5	1	KHBF	
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)O[C@@H]1CO	27519872	FDNDTODTDPFKCS-BWGBCMEMSA-N	556.402	3.606	5	1	KHBF	
COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(=O)c(OC)ccc12	27713085	VXEUSIMJXPSLTD-GRYUFTJMSA-N	508.527	3.556	5	1	KHBF	
COCc1ccc2c(c1)c1c3c(c4c5cc(COC)ccc5n5c4c1n2[C@@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O	100793325	MDAFGVXLBFQEJH-QDSNVRCDSA-N	555.587	3.948	5	1	KHBF	
O=C(N[C@H](COCc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1	104968174	PQFHNQFNPHJPLL-JOCHJYFZSA-N	537.642	3.636	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195187353	DNTPWIYELJHBBB-AEZMXNGJSA-N	776.840	3.578	5	1	KHBF	
COc1cc2c(=O)oc3c(OC)c(O[C@@H]4C[C@H](OC(=O)c5cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c5)[C@H](OC(C)=O)[C@@H](COC(C)=O)O4)cc4c(=O)oc(c1OC)c2c34	2356639587	VNUQKLQMVUSMET-CILKRHGOSA-N	852.707	3.506	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)O[C@](C)(C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@@H](N(C)C)[C@H]1O)[C@H]2C	95608454	VAFKBOOENPCZQS-ATXDJKDUSA-N	793.012	3.943	5	1	KHBF	
O=c1nc(O)c(-n2cc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)nn2)cn1[C@H]1C[C@H](O)[C@@H](CO)O1	1857647345	BBXIZXUQEOSZRT-OYUWMTPXSA-N	545.555	3.888	5	1	KHBF	
COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4076021	DTIOSGUDESTSRO-AOYPEHQESA-N	518.526	3.806	5	1	KHBF	
CCOC(=O)N1CCC(NC(=O)[C@H](CCSC)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1	82222847	IVHLWOJZOGWHMZ-SFHVURJKSA-N	507.638	3.989	5	1	KHBF	
CC(=O)OC[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	27094048	APBWYWHXIZTNSS-GULMAHJUSA-N	669.643	3.910	5	1	KHBF	
COc1ccc2c(c1)c(CC(=O)N1CCN([N+](=O)NOc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC1)c(C)n2C(=O)c1ccc(Cl)cc1	379420260	BCZSHMCVPXCUMI-UHFFFAOYSA-N	653.028	3.996	5	1	KHBF	
Cc1cc2[nH]c(CN(C)C)nc(=O)c2cc1CN(C)c1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c(F)c1	27747688	PIJPGQUAFGYGMW-UHFFFAOYSA-N	532.576	3.907	5	1	KHBF	
CC(C)[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	45323029	NXKVESZLJXMGAT-CTNGQTDRSA-N	506.481	3.884	5	1	KHBF	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1C[C@H]2CC[C@H](C1)N2CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	150606550	LZNCTXBZYKCTIY-FGZHOGPDSA-N	648.632	3.850	5	1	KHBF	
COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620836	HVGAZBUNDGAKNY-UHFFFAOYSA-N	584.563	3.640	5	1	KHBF	
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-c2cccc(Br)c2[N+](=O)[O-])cc1	587937492	SQYKOOWNRHURMK-AWPDFEKKSA-N	787.477	3.566	5	1	KHBF	
Nn1c(SC[C@]2(c3ccc(Cl)cc3)N[C@H](C(=O)O)Cc3cccc(F)c32)nnc1-c1ccc([N+](=O)[O-])cc1	962897295	CEVJDOVMZGUEFA-NBGIEHNGSA-N	554.991	3.994	5	1	KHBF	
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1	38146263	NXLRHXVLEGUREI-NRFANRHFSA-N	532.439	3.531	5	3	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1	4044881	WDBIMTCJJLWMMI-LAMXGVLKSA-N	567.599	3.607	5	1	KHBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@]1(C(=O)NCC2(c3ccccn3)CCS(=O)(=O)CC2)CCc2[nH]c3ccccc3c2C1	26829675	ZBWXVZRLDRIDFW-WJOKGBTCSA-N	616.700	3.783	5	1	KHBF	
CC(C)[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)CC[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	206917829	NXKVESZLJXMGAT-TZIWHRDSSA-N	506.481	3.884	5	1	KHBF	
COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCN3CCOCC3)c2cc1OC	105138700	PJKQYEAZNWXLOE-UHFFFAOYSA-N	595.701	3.866	5	1	KHBF	
CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(N(C)C)cc4)s3)cc([N+](=O)[O-])c2)CC1	43511629	KESQOYFKTYOFSC-UHFFFAOYSA-N	568.681	3.966	5	1	KHBF	
COc1cc([C@H]2NCCc3ccc(C(=O)N(C)C)cc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	962931722	OZQXJWKBTBTTHL-RUZDIDTESA-N	525.583	3.616	5	1	KHBF	
CC(C)O[C@@H]1C=C([C@H](O)c2ccc(C(F)(F)F)cc2)[C@H](O)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1	28656241	YZEULPALRJHDQV-MBDNFAEBSA-N	511.449	3.941	5	1	KHBF	
COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCCN3CCN(C)CC3)c2c1)C(=O)NC4=O	22930551	WKUAOHBRCMZTIL-UHFFFAOYSA-N	509.610	3.969	5	1	KHBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	4076593	KWUCNFULYXVAIG-IAPPQJPRSA-N	562.579	3.857	5	1	KHBF	
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4=O)O[C@@H]1CO	29391842	IDJBSIHZPGRCAI-YHXNHYQDSA-N	584.412	3.588	5	1	KHBF	
CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc3c(=O)n(CCN(C)C)c(=O)n4c5ccccc5c(=O)c2c34)c2c(O)c3cc([N+](=O)[O-])ccc3nc12	150538632	FVGSICQUDWSKAG-UHFFFAOYSA-N	830.947	3.970	5	1	KHBF	
N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587180265	LXZQKTIXUIBVED-LLVKDONJSA-N	550.094	3.628	5	1	KHBF	
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	2356867231	PPEIDTBCMMFPCL-IALQYLQVSA-N	524.581	3.675	5	1	KHBF	
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@H]3O[C@H](C)[C@@H](O)[C@@H](N(C)C)[C@@H]3O)c21	14685275	ZHXCTIMNNKVMJM-JSPLCZCHSA-N	521.566	3.577	5	1	KHBF	in-vitro
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)c2ccc([N+](=O)[O-])cc2)[C@]1(C)O	1857752342	RPEPIOKICRUBIH-NMJMTEMHSA-N	944.089	3.775	5	1	KHBF	
Cc1ccc2c(ccc3nc(CCOCCOCCOCCOCCNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c32)n1	587266732	NUEVYFHBKLIWHT-UHFFFAOYSA-N	568.587	3.957	5	1	KHBF	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN[C@@H]1C[C@H]1NCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	49844816	XBIHVHLVWYPAQC-KAYWLYCHSA-N	636.621	3.802	5	1	KHBF	
CCN(CCNC(=O)c1cccc2c(=O)c3cc(I)ccc3[nH]c12)CCOc1cccnc1F	71295030	OIYVYFZRMBJLLU-UHFFFAOYSA-N	574.394	3.951	5	1	KHBF	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1	587265553	WDYHXHXMCUBPJY-ABKXIKBNSA-N	508.285	3.853	5	1	KHBF	
CCOC(=O)C1=C(N)OC2=C([C@@H]1c1ccc([N+](=O)[O-])cc1)[C@@]1(CCC2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963234623	QWSFFJOUSVJOOV-RVVHDCIOSA-N	556.575	3.923	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4051299	KWAVUKXHOZLVPZ-UWSIMGETSA-N	540.573	3.829	5	1	KHBF	
COc1ccc(C(=O)CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc([N+](=O)[O-])cc3F)CC2)cc1	26393830	BXULJEVEQXVSGT-UHFFFAOYSA-N	578.528	3.889	5	1	KHBF	
CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82150233	MADKTZTTXABRAK-NRFANRHFSA-N	502.575	3.804	5	1	KHBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)cnc(Br)c2[nH]1	587263997	IUVJWLLRIHJEPP-UPONEAKYSA-N	516.106	3.833	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCOc2ccccc2)cc1	4044728	UIJFNEBKLOYAOI-AHWVRZQESA-N	518.526	3.677	5	1	KHBF	
CC[C@H](C)[C@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203669	GTCWMNMGHXBICB-GZJQFRAZSA-N	590.637	3.801	5	1	KHBF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(COc5ccc([N+](=O)[O-])cc5C=O)[nH]c4c3)cc2)CC1	587269514	FEZGYXOLZYRSLM-UHFFFAOYSA-N	528.569	3.862	5	1	KHBF	
C[C@@](O)(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857592681	XZMFEIRLQGDLDJ-MRXNPFEDSA-N	500.373	3.796	5	1	KHBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1	587265019	BPRRYPOOQAZMGF-RNODOKPDSA-N	599.543	3.836	5	1	KHBF	
COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]12)CC3	2356826688	ARVXNMOFUPPDOX-PNGHJTAWSA-N	565.630	3.996	5	1	KHBF	
O=C(O)C(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2CN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1	27520105	UJACCCBUXXMATQ-NRFANRHFSA-N	500.916	3.685	5	1	KHBF	
COc1cc(Cc2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)c(S(=O)(=O)N2CCCCC2)cc1OC	103273183	WNZQKOGPKJIWDI-UHFFFAOYSA-N	519.605	3.973	5	1	KHBF	
COc1cc2c(=O)c3c(c(=O)c2c2oc4c(=O)c5c(O)c6c(c(O)c5c(=O)c4c12)[C@@H](C)O[C@@H](C)C6)[C@@H](C)O[C@@H](C)C3	137390233	KZAPENNZKGMMEB-NNYUYHANSA-N	558.539	3.673	5	1	KHBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@H]1c1ccc(COc2ccccc2[N+](=O)[O-])o1	963665090	FZYDFFXZXNMBHA-YRLRHBCXSA-N	557.559	3.970	5	1	KHBF	
COc1c(OC)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(OC)c(OC)c(C[C@H](C)O)c(c(c1C[C@H](C)O)c23)c54	2356284303	VZOAWONERRCHDP-KBPBESRZSA-N	578.614	3.794	5	1	KHBF	
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(/C=C/c4ccc([N+](=O)[O-])cc4)cn3C)cn2C)cn1C	28864582	UQMIFNRIQKXUER-BQYQJAHWSA-N	600.680	3.967	5	1	KHBF	
COCCOCCOCC(COCCOCCOC)n1c(=O)c2ccc3c4ccc5c(=O)n(C(COCCOCCOC)COCCOCCOC)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56	150543163	ZEHQJIVWIZZUSV-UHFFFAOYSA-N	947.044	3.764	5	1	KHBF	
CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N@+](C)(Cc3ccc(O)cc3)C2)cc1	261087075	CTFDKSWRIMHOOV-GHYQVCKSSA-O	588.729	3.894	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(F)cc([N+](=O)[O-])c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587161845	RPEIQVGRMAGKPI-UHFFFAOYSA-N	522.518	3.876	5	1	KHBF	
CC[C@@H](COC)Nc1nc(N(C)CCN(C)C(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12	105113303	YFUSTKAJWNLGHM-SFHVURJKSA-N	540.621	3.909	5	1	KHBF	
CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3cc21	587272281	MEFVEPIYASLYHB-KYJUHHDHSA-N	680.582	3.923	5	1	KHBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)([C@]2(O)CC[C@H](O)C2)[C@@H](O)[C@H]1OCc1ccccc1	2356698727	LINMIODUQUVLAC-VGRDWNBYSA-N	569.610	3.689	5	1	KHBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	26477622	FFRCTJKRGGQBDU-APHLTRPNSA-N	555.565	3.621	5	1	KHBF	
COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NC[C@@H](O)CO)c([N+](=O)[O-])cc1OC	104326368	LQYYFISORCOGNZ-LJQANCHMSA-N	579.562	3.605	5	1	KHBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)O)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	27564407	YSNYWXWAQFVCJP-MHZLTWQESA-N	576.650	3.627	5	1	KHBF	
CN(C)CCCCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82086098	KJRGSKWOZGOBNM-JOCHJYFZSA-N	526.615	3.919	5	1	KHBF	
COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCN3CCOCC3)c2cc1OC	105118860	DWCXXOZZKWPQNJ-UHFFFAOYSA-N	581.674	3.620	5	1	KHBF	
CC(C)[C@H](NC(=O)C(C)(C)C)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	95612667	XLJKRLFANZKZDO-SXNPCDIMSA-N	751.281	3.694	5	1	KHBF	
Cc1onc(-c2nc3c(Cl)ncc(I)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587078975	DECHCTBJZAPLAI-UHFFFAOYSA-N	520.074	3.986	5	1	KHBF	
CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc([N+](=O)[O-])cc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587418408	HBKPMURXCNSWNC-VOIUYBSRSA-N	503.891	3.642	5	1	KHBF	
CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4=O)O[C@@H]1CO	29391844	IDJBSIHZPGRCAI-WSELAUAUSA-N	584.412	3.588	5	1	KHBF	
COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NC[C@@H](C)O)c2cc1OC	105139326	AXRUHJJVCDGWCC-GOSISDBHSA-N	554.648	3.925	5	1	KHBF	
O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1cccc([N+](=O)[O-])c1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2	42920952	BQRQIGZBXDSMNI-LJQANCHMSA-N	523.465	3.970	5	1	KHBF	
N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587180975	UUISXJJUYZAVTO-SECBINFHSA-N	595.091	3.537	5	1	KHBF	
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-])ccc2Sc2ccccc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587315441	QVOJMRCZCGDUOC-BIUVMLSKSA-N	675.668	3.697	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	261101947	GNEIWNURFQPOMA-CBOPLTIVSA-O	591.660	3.999	5	1	KHBF	
COc1cc(O)c2c(=O)c3ccc(O)c(O[C@@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@H]4O)c3[nH]c2c1	14612724	LCGFAZIBUURPDA-SXOMAYOGSA-N	517.490	3.860	5	1	KHBF	endogenous,in-man
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1	653799677	NZONWIGVUPLQBZ-GLMMHSNRSA-N	562.531	3.835	5	1	KHBF	
CCCCOc1ccc([N+](=O)[O-])cc1[C@@H]1c2cc(O)ccc2C[C@@H](C(N)=O)N1C(=O)[C@H](Cc1ccccc1)NC(C)=O	961946036	AFYGQMROSAVOTA-YCVJPRETSA-N	574.634	3.555	5	1	KHBF	
COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(=O)c(OC)ccc12	27713091	VXEUSIMJXPSLTD-ZWSUVBHBSA-N	508.527	3.556	5	1	KHBF	
CC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@H](C(N)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715686	YNUSNUOVFGZNLF-XCZPVHLTSA-N	559.667	3.658	5	1	KHBF	
N=C(N)c1ccc(CNC(=O)Cn2c(-c3cccc([N+](=O)[O-])c3)c(Cl)nc(NCCc3ccccc3)c2=O)cc1	14956009	DGJPTBHXZSYTGS-UHFFFAOYSA-N	560.014	3.727	5	1	KHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2c(OC)ccc(OC)c2[N+](=O)[O-])nc2sc(C)cn12	29131927	JELIJKXCWLEFHL-UHFFFAOYSA-N	542.570	3.877	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(Br)c(O)c3[nH]2)c([N+](=O)[O-])c1	587267279	WIXPXEHTYOLMBV-UHFFFAOYSA-N	598.407	3.568	5	1	KHBF	
Cn1ncnc1[C@@H]1c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963211478	CARDZAKNXCTKFS-URXFXBBRSA-N	586.517	3.687	5	1	KHBF	
CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82136047	VLHRXTVFRUZTET-NRFANRHFSA-N	502.575	3.804	5	1	KHBF	
CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1	104959342	FVVOFVILUQXWGF-HXUWFJFHSA-N	531.660	3.650	5	1	KHBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715694	QGTFDZFDVRWNAC-NSOVKSMOSA-N	590.677	3.929	5	1	KHBF	
CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	586935405	IMHQVCVENDKUFS-GOSISDBHSA-N	530.031	3.767	5	1	KHBF	
CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	169712078	MFRJOZHRKFJSDR-FNBPXTNNSA-N	541.538	3.578	5	1	KHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])N1	587747752	RRPNWLHOGFBUQD-LRTDBIEQSA-N	504.316	3.796	5	1	KHBF	
COC(=O)c1cccc2nc3c([C@@H](OC(=O)CNC=O)[C@H](CCCC(C)C)C(=O)OC)cccc3nc12	2356794521	HZCVMBGWEZESSG-UQBPGWFLSA-N	509.559	3.515	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@H](O)c1ccccc1	4204485	LDIZMHOCODJYCR-MAFNXUKGSA-N	535.553	3.952	5	1	KHBF	
CC(C)(C)c1noc(C2CCN(c3ncnc(Nc4ccc(S(C)(=O)=O)cc4)c3[N+](=O)[O-])CC2)n1	40873675	IZXAWMFOUJIWOK-UHFFFAOYSA-N	501.569	3.596	5	1	KHBF	
CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C(C)C)cc1	586938152	ODDUQYKCCNIAKL-NRFANRHFSA-N	502.600	3.971	5	1	KHBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1	587273460	UWFDFIPVPCKDDX-SFTDATJTSA-N	527.331	3.846	5	1	KHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1	587846003	CJMGTJDYNQEVMI-SPSFWMDKSA-N	553.406	3.616	5	1	KHBF	
CC[C@H](C)C[C@H](C)C=C(C=C(C)C=CC=CC=CC=CC=Cc1cc2c(c(=O)o1)[C@H](O)[C@H](O)[C@H]([C@H](O)[C@@H](O)CO)O2)C(=O)O	2356540664	GDSQFNQIWJCATH-IUJRMABUSA-N	612.716	3.777	5	1	KHBF	
NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2CC(c3ccc(Cl)c([N+](=O)[O-])c3)=NO2)cc1	13489928	SMOQZPYLCXSLGB-FQEVSTJZSA-N	500.920	3.694	5	1	KHBF	
CO[C@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6n(C)c5c32)C(=O)N(C)C4=O)[C@H](O)[C@H]1O	29399161	MPVYKSPETVLKLL-WVPPXMDLSA-N	598.439	3.599	5	1	KHBF	
O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1	586943729	HWMVTGKXUHLGHD-UHFFFAOYSA-N	512.375	3.736	5	1	KHBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](n1cnc2c(NC(=O)c3ccccc3)ncnc21)C(Cl)(Cl)Cl	1857585271	OBIGKUUPHATSNR-IBGZPJMESA-N	582.792	3.787	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@+](C)(Cc3ccc(F)cc3)C2)cc1	254101157	HBJANPVGVPJJER-ZOKGBCTGSA-O	563.650	3.976	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(COC(=O)N5CCN(c6ccc([N+](=O)[O-])cc6)CC5)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	96927778	WOJAPHADOALNOG-QGWJVEIISA-N	714.688	3.621	5	1	KHBF	
Cc1nc2[nH]c(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2cc1Br	587266884	PYSIANNEFOGQQW-UHFFFAOYSA-N	597.423	3.566	5	1	KHBF	
COc1c(C[C@@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(=O)c4c(OC)cc5c(c6c(cc(OC)c(c1=O)c62)OCO5)c43	2356593861	ZNRVYKKPCFDVRR-CHWSQXEVSA-N	562.571	3.505	5	1	KHBF	
CC[C@H](C)[C@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587204402	JJEVHUQZNNROAY-CSUULGGQSA-N	594.600	3.632	5	1	KHBF	
COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccccc1[N+](=O)[O-]	587621086	NEFUFMPYWYLSBU-UHFFFAOYSA-N	554.493	3.811	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C\c5ccc([N+](=O)[O-])cc5)[C@H](C2)N(CC2CC2)CC[C@@]314	38154961	HIVXXDSZTCJSFW-NCYTUACGSA-N	529.593	3.574	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@@](=O)(NCCO)Oc4ccc([N+](=O)[O-])cc4)C=C[C@@]31CCN(C)C2	49708773	VOOJGRHRLRQAGX-DVGRNYFXSA-N	531.502	3.552	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)C(F)(F)[C@@H](O)[C@@H]1O	169349271	DWXJZYOAYLKQST-LDLGCBMHSA-N	596.461	3.849	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4)[C@H](O)[C@H]1O	169364103	QZADSWDHADURFQ-RZHXCLHVSA-N	570.429	3.948	5	1	KHBF	
Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1	587953295	JHJVOCMECLCPDP-SFTDATJTSA-N	504.455	3.691	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCc2ccccc2F)cc1	770133	GTADNIFAUIYWIJ-AZGAKELHSA-N	520.517	3.979	5	1	KHBF	
COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	28970918	PAHVQHBDZMQWNM-OJJQZRKESA-N	547.520	3.949	5	1	KHBF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@H]1c1cccn1-c1cc([N+](=O)[O-])ccc1Cl	962046426	QUTDZQPZDQNGRN-FMYROPPKSA-N	602.047	3.820	5	1	KHBF	
COC(=O)[N+]12CCC(CC1)[C@H](C(=O)NC[C@@]1(O)C[C@H]3CC[C@]1(CS(=O)(=O)N1CCC4(C=Cc5ccccc54)CC1)C3(C)C)C2	27330104	BFZIIEHECQVPQB-YAIWHLFQSA-O	626.840	3.673	5	1	KHBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1	587266373	LCMMZFIFPBSHOV-GDJIYFAZSA-N	602.652	3.956	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587282369	NOKGBTOZPOALIF-NDEKLWFNSA-N	722.497	3.510	5	1	KHBF	
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	2356325856	RNSJXGZIFVKGTF-DMTNHVFBSA-N	530.625	3.942	5	1	KHBF	
C[C@@H]1COc2c(N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23	29127234	AJFFTARNFHEDPD-LLVKDONJSA-N	557.922	3.838	5	1	KHBF	
O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	49694713	NQJPIHUIGJMBPH-JSYMXFIJSA-N	593.568	3.533	5	1	KHBF	
COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(N[C@@H]3CCCCNC3=O)c2cc1OC	105119343	OXVMUKUCXLBBKF-HXUWFJFHSA-N	565.631	3.566	5	1	KHBF	
COc1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CC(=O)O)ccn1	587620748	GFYWYFOQOYJSDN-UHFFFAOYSA-N	512.500	3.583	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1OC[C@@H](CO)C1(c2ccc(O)cc2)CCCC1	2356365541	NSKWFBVNXBJYAR-BOYYLVLXSA-N	657.716	3.524	5	1	KHBF	
Cc1ccc(Oc2ccc([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)cc2[N+](=O)[O-])cc1	587297871	KPMSFYLXUYSGLJ-ZRNVJYDMSA-N	673.627	3.646	5	1	KHBF	
C[C@]1(c2cnn[nH]2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963216515	BUYNQBBEKKWCEI-KMRXNPHXSA-N	586.517	3.851	5	1	KHBF	
O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc([N+](=O)[O-])cc1	28713076	YWIPTMFSINJUNZ-MUUNZHRXSA-N	581.555	3.566	5	1	KHBF	
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	586932536	AUTPZDGHOPQBNJ-UHFFFAOYSA-N	513.919	3.869	5	1	KHBF	
COC(=O)c1nnn(-c2c(-c3ccc(OC)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1C(=O)OC	587620226	AWQVMIHSYYVELJ-UHFFFAOYSA-N	636.599	3.715	5	1	KHBF	
O=C(O)c1cc(Br)cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12	587265905	HYKAQGZCOYKYGW-UHFFFAOYSA-N	626.417	3.561	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2cccc4ccc5ccccc5c24)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587314459	ZIYQPQHEVGJITP-JDANWYAQSA-N	622.626	3.944	5	1	KHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])N1	587747751	RRPNWLHOGFBUQD-ASSNKEHSSA-N	504.316	3.796	5	1	KHBF	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccc(OC)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	28970972	VGSJBWYIEOPMMJ-POYMRFPPSA-N	577.546	3.957	5	1	KHBF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)C1	105162933	AMBWMWGLPXEPJY-QGZVFWFLSA-N	528.491	3.702	5	1	KHBF	
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-])ccc2SC2CCCCC2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587316759	XLYILWJPSDEBDC-BIUVMLSKSA-N	681.716	3.970	5	1	KHBF	
CC1CCN(S(=O)(=O)c2ccc3oc4ccc(S(=O)(=O)N5CCC(C)CC5)cc4c(=NO)c3c2)CC1	141572073	UQILHKKOJVITHZ-UHFFFAOYSA-N	533.672	3.717	5	1	KHBF	
COc1ccc(F)cc1[C@H](N)Cn1c(=O)c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(C)n(Cc2c(F)cccc2F)c1=O	1857748597	RXIYOMUDBBWCFB-MUUNZHRXSA-N	638.647	3.723	5	1	KHBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])cnc2[nH]1)OCc1ccccc1	587220948	HFYNDPRPUIBEDL-NSOVKSMOSA-N	621.654	3.748	5	1	KHBF	
CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1	105176407	JXVMELXULIXXEI-SYMSJMEQSA-N	506.607	3.839	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169362514	DNTPWIYELJHBBB-DKRXFBIASA-N	776.840	3.578	5	1	KHBF	
COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccc(F)cc2)=C(C)N=3)cc1	98083359	NSCGIOUEOPPLTD-XXMKCSCWSA-N	544.564	3.930	5	1	KHBF	
O=C(N[C@H](CSCc1ccccc1)C(=O)N[C@H]1CCCCNC1=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104961410	XJXAUONRGDAKTA-VQTJNVASSA-N	553.666	3.535	5	1	KHBF	
CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	105175583	GLQSSXHKXKFTAV-SAVREHANSA-N	506.607	3.521	5	1	KHBF	
O=C(NCCCC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)O)OCc1ccccc1	82085029	RCVGHBXODODFDU-GOSISDBHSA-N	512.544	3.998	5	1	KHBF	
C[C@@]12Oc3c(O)ccc4c3[C@]13CCN(CC1CC1)[C@@H](C4)[C@]3(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CCC2=O	169342894	RIXFPTSTMBDFAF-PVVJYMPTSA-N	529.593	3.661	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587286745	TZHSGERBJZZBCM-HJSWHDQHSA-N	694.045	3.991	5	1	KHBF	
CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)CCc1ccccc1)C(=O)OCCCC	1772587063	INVVFWPCLGVIAH-UIOOFZCWSA-N	717.798	3.781	5	1	KHBF	
Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cn(CCO)c4c(cc(O)c5ncccc54)c3=O)cc2)c1	103290670	FXCKQTULPSFSOC-UHFFFAOYSA-N	544.589	3.609	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)[C@H](F)[C@H](O)[C@@H]1O	261170554	SWORYDJCKUWKPZ-BBOZTLCPSA-N	578.471	3.552	5	1	KHBF	
COC(=O)C(C(=O)OC)(C(=O)c1cc(F)cc(F)c1)c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587645995	PSNGBGNYYLNFPO-UHFFFAOYSA-N	586.525	3.892	5	1	KHBF	
CS(=O)(=O)N1CC2(CCN(C(=O)[C@@H](COCc3ccccc3)NCc3cccc([N+](=O)[O-])c3)CC2)c2ccccc21	29546117	TYPXYFPMCYFYRE-HHHXNRCGSA-N	578.691	3.610	5	1	KHBF	
CC(=O)c1c(C)cc2c(=O)c3c4c(=O)c5cc(C)c(C(C)=O)c(O)c5c(=O)c4c4c(=O)c5c(O)c(C(C)=O)c(C)cc5c(=O)c4c3c(=O)c2c1O	85636721	SLIWXLDUOMWBMP-UHFFFAOYSA-N	684.609	3.730	5	1	KHBF	
N=c1ccc2cc3ccc(N)cc3n(CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c-2c1	535362996	MNNKTCUVLIGQMJ-HOMRVSDPSA-N	605.809	3.716	5	1	KHBF	in-vitro
NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cn3)nc3cc4ccccc4cc3c2=O)cc1	1857746671	ZEQNXXSFCGCFPE-UHFFFAOYSA-N	552.037	3.966	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4)[C@H](O)[C@H]1O	169366190	KZYFWRQNBSFZCG-PNONDLBJSA-N	556.402	3.606	5	1	KHBF	
O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2c1)N1CCOCC1	586957492	BRCXIMIQIVXQMM-UHFFFAOYSA-N	512.551	3.601	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587284521	IDCIEVYYHGAGIK-CUOCVEGISA-N	694.045	3.991	5	1	KHBF	
N=[S@](=O)(O)c1ccc(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]c2=Nc2ccc([S@](=N)(=O)O)cc2)cc1	1857556128	GCLQNALXJJEFKW-UHFFFAOYSA-N	515.533	3.626	5	1	KHBF	
O=C(N[C@@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104960993	VDDGUJGUVPYJIZ-RTWAWAEBSA-N	553.666	3.535	5	1	KHBF	
COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1ccc(OCn2cc([N+](=O)[O-])cn2)c(OC)c1	963184604	HBPUPBDZKROQKV-VWLOTQADSA-N	510.547	3.594	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	4076332	MLZCFGWXDMBWAX-RWUBSVTLSA-N	534.569	3.620	5	1	KHBF	
CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@@H](C(=O)NC)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715711	KJPZGJYUDUIYGW-XRKRLSELSA-N	603.720	3.892	5	1	KHBF	
CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1[N+](=O)[O-])(C(C(=O)OCC)C(=O)OCC)CC2=O	587465759	GNCGWAQWBOSOIZ-VWLOTQADSA-N	503.479	3.995	5	1	KHBF	
CCOC(=O)/C(=C/N(C)C)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CC	587620334	BAUITUODYJXCOB-NBVRZTHBSA-N	516.576	3.914	5	1	KHBF	
CS(=O)(=O)N1CCN(C(=O)Oc2c(Br)cc(Br)c3nc4ccccc4nc23)C1=O	1857767044	DSYOPGQPRNGTKS-UHFFFAOYSA-N	544.181	3.504	5	1	KHBF	
CCN(CC)C(=O)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C1	40873131	CTQJIMNKEDJPNQ-MRXNPFEDSA-N	510.522	3.821	5	1	KHBF	
CC[C@@H](COC)Nc1nc(N2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	105116376	NLVFVVOVGMKVTE-SFHVURJKSA-N	538.605	3.663	5	1	KHBF	
CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	587204288	OVYGVNOGQYXQKE-JOCHJYFZSA-N	542.548	3.924	5	1	KHBF	
COC(=O)c1nc(-c2cn(Cc3ccc4ccc5cccc6ccc3c4c56)nn2)n(COCCOC(C)=O)n1	95561599	MUZRLONFIZTTIJ-UHFFFAOYSA-N	524.537	3.806	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cccc12	586934644	HTWVYSJXDXPACA-GOSISDBHSA-N	603.503	3.736	5	1	KHBF	
CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCCCC	26188284	POURTMZUHGGLAM-DQEYMECFSA-N	719.770	3.958	5	1	KHBF	
CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)cc1[N+](=O)[O-]	586940973	LSNJEKGMSHJHPE-UHFFFAOYSA-N	609.734	3.671	5	1	KHBF	
CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21	13559667	WDEYYJCTUQWQCT-UHFFFAOYSA-N	524.528	3.699	5	1	KHBF	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCCN[C@H]1C[C@H]1NCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	49844814	XBIHVHLVWYPAQC-MKPDMIMOSA-N	636.621	3.802	5	1	KHBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccncc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725843	QIFGLWSLSZQTRM-TXSIRGRGSA-N	544.589	3.752	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Oc4cccc(Cl)c4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587284927	IYMYGGJPCPCHTE-HJSWHDQHSA-N	694.045	3.991	5	1	KHBF	
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-])ccc2SCc2ccccc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587314648	MGALDAZXWPHBRB-YHVKRWFOSA-N	689.695	3.838	5	1	KHBF	
C[N@@+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N@@+]4(C)CCCC[C@@H]4CO)ccc2-3)CCCC[C@@H]1CO	253687916	BKDMICIBSRKEST-FILNMDLPSA-P	578.754	3.538	5	1	KHBF	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]([n+]2ccc3c(C)c4[nH]c5ccc(O)cc5c4c(C)c3c2)O[C@H](C)[C@H]1OC(C)=O	28757978	AOYYJQCFKBFHRE-YKZIPYKVSA-O	535.573	3.797	5	1	KHBF	
COc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	64549653	QYUROEYAFJQVKH-RIGQTMPJSA-N	559.575	3.931	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	253868704	FDVGQOSYDFYRIS-KCPSNSNRSA-O	589.669	3.566	5	1	KHBF	
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@@H](C)C(=O)NCCn3c(C)cnc3[N+](=O)[O-])[nH]c3ccc(Cl)cc23)c1	1772594012	BCFLKNZFIVYNBU-KRWDZBQOSA-N	587.058	3.619	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)Oc3ccc4c(c3)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C(=O)O)C4)cccc12	89455625	AJJUMNPVOHGEGY-SANMLTNESA-N	611.654	3.782	5	1	KHBF	
O=C(NCCCC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H]1CCCCNC1=O)OCc1ccccc1	104963540	AYDPYKKCVNZZDQ-DNQXCXABSA-N	622.704	3.698	5	1	KHBF	
COc1cc(OCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1[N+](=O)[O-]	587262591	DENDYXPFWNHUFV-UHFFFAOYSA-N	541.503	3.982	5	1	KHBF	
CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	27561781	LGQDRXMJPKYZFZ-NDEPHWFRSA-N	531.657	3.962	5	1	KHBF	
COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cn2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1	95612025	YWBIPKNEGPXQHC-BMYMHALSSA-N	840.979	3.865	5	1	KHBF	
CCOC(=O)CN1CCC2(CC1)CCN(c1nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s1)CC2	1772634901	CTOKMHKTWJPCHW-UHFFFAOYSA-N	514.526	3.829	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N@@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	253632536	HDCWHMNZVVOIJW-OAHHPNBVSA-O	603.696	3.869	5	1	KHBF	
CCS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(c4nc(C(C)C)no4)CC3)c2[N+](=O)[O-])cc1	40393806	WBLJNTBLCOXPLV-UHFFFAOYSA-N	501.569	3.812	5	1	KHBF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc1-2	587092127	MSNVADHGRJHSNT-UHFFFAOYSA-N	553.440	3.820	5	1	KHBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1	587267430	KLWGUKXJLAMEDB-SFHVURJKSA-N	502.579	3.585	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@@H](C(O)O)C3(c4ccc(O)cc4)CCCCC3)O[C@H]12	2356354901	AHPSWTKEGFNRFL-OAWNXDRWSA-N	713.780	3.765	5	1	KHBF	
COc1c(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])c([N+](=O)[O-])c4)o3)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	72114801	WVHJHSRNQDEPEP-ZDUSSCGKSA-N	609.527	3.764	5	1	KHBF	
CN(C)CCCCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82086099	KJRGSKWOZGOBNM-QFIPXVFZSA-N	526.615	3.919	5	1	KHBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1	169723525	HLARRBJEHUGPFZ-FPOVZHCZSA-N	512.431	3.776	5	1	KHBF	
CCO[P@](=O)(CCCOc1ccc(Nc2ncc([N+](=O)[O-])c(=Nc3ccccc3C(=O)NC)[nH]2)cc1)N1CCOCC1	1857643547	ILCHHCHQJWIWRL-HUESYALOSA-N	599.585	3.984	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@@H](CO)C(F)(F)[C@@H](O)[C@H]1O	38363275	DWXJZYOAYLKQST-CFKZCQSYSA-N	596.461	3.849	5	1	KHBF	
CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccc([N+](=O)[O-])cc1	101348178	IXSWGSBIIPUDTB-WYBWAZTESA-N	629.615	3.531	5	1	KHBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(I)cnc(Cl)c2[nH]1	587266901	QDTARJVXSCDNSV-KGFZYKRKSA-N	518.655	3.566	5	1	KHBF	
COc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)c3cc(O)ccc3C[C@@H](C(N)=O)N2C(=O)[C@H](Cc2ccccc2)NC(C)=O)cc1	961951115	MPXPTGPOOAOFFZ-ODTVBPJYSA-N	608.651	3.587	5	1	KHBF	
CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(Cc1ccc([N+](=O)[O-])cc1)C(=O)O	963077549	QQRMESVFQFXAHS-NOMHHCBYSA-N	539.541	3.596	5	1	KHBF	
CC(C)C[C@H](NS(=O)(=O)c1ccc(N)cc1)c1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1	1772573858	OZRORPSAJGVARI-QHCPKHFHSA-N	507.572	3.942	5	1	KHBF	
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	38143386	HDMIDPZNPAVSCE-SFHVURJKSA-N	587.563	3.530	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(CNc5cccc([N+](=O)[O-])c5)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	42803989	UJTDZRSLKUKGDS-GVQBMFDGSA-N	601.572	3.774	5	1	KHBF	
C[C@@H]1CN(c2cnn(C/C=C/c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)c2Cl)C[C@@H](C)N1	45186846	RVZBNFXGXSYZFD-GVKUHWBJSA-N	522.993	3.957	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](Oc2ccccc2[N+](=O)[O-])[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](O)[C@]1(C)O	49802089	JNLKAKSVQSMYFQ-VTWDITNYSA-N	710.862	3.509	5	1	KHBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1	587268076	WMXXCSDCHCTEHF-IBGZPJMESA-N	516.606	3.628	5	1	KHBF	
CN(C)CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82084654	YRLFARMEWHRYOZ-OAQYLSRUSA-N	514.629	3.855	5	1	KHBF	
N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587181355	XHAXWRAHANKGNO-SNVBAGLBSA-N	568.084	3.768	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3c(Cl)c(Cl)cnc3[nH]2)c([N+](=O)[O-])c1	587265387	DAGDJWJVOZWUHR-UHFFFAOYSA-N	573.390	3.802	5	1	KHBF	
CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2cc([N+](=O)[O-])ccc12	587647978	WSYLPWVBABLQHQ-YZSSOMPASA-N	519.639	3.744	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1	4153634	IVMUUGRUHFFYMN-STNVRERYSA-N	533.537	3.534	5	1	KHBF	
C[C@H](O)C(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	169322642	ABYITXZQOACKCB-HNNXBMFYSA-N	503.481	3.803	5	1	KHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1	587846002	CJMGTJDYNQEVMI-SFDCACGMSA-N	553.406	3.616	5	1	KHBF	
C[C@](O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857578417	MZYPCHJYQAVIPV-INIZCTEOSA-N	500.373	3.796	5	1	KHBF	
O=C(NCCCc1nc2ccccc2[nH]1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12	2356862881	SUEFNMQRUDYAQO-FLNMNGSDSA-N	538.608	3.546	5	1	KHBF	
CNC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715689	AGNYFINNIVFBHA-IXCJQBJRSA-N	589.693	3.502	5	1	KHBF	
CNC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715691	AGNYFINNIVFBHA-IAPPQJPRSA-N	589.693	3.502	5	1	KHBF	
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2c3cccnc3c3ncccc3c2[nH]1	587231822	VRQFGQSNJALRJS-UHFFFAOYSA-N	715.845	3.859	5	1	KHBF	
CCc1ccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587267246	VXOQLOMKMXCLOV-UHFFFAOYSA-N	531.566	3.663	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)CC[C@@H]3[C@@H]4CC[C@H](O)[C@H](Cc5ccc(O)cc5)[C@@H]4O[C@@H]1[C@@]32O	2356361993	CEENTTNOSPYUFR-PNSANQTBSA-N	681.738	3.564	5	1	KHBF	
COC(=O)[C@@H](C[C@](O)(C(=O)OC)[C@@H]1Cc2c(oc3cc(C)cc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3c2=O)S1)OC(=O)c1ccc([N+](=O)[O-])cc1	169347519	NQPJBRPFZFQOGJ-RNDKRWLGSA-N	722.637	3.847	5	1	KHBF	
CC[C@H](C)C[C@H](C)/C=C(/C=C(C)/C=C/C=C/C=C/C=C/C=C/c1cc2c(c(=O)o1)[C@H](O)[C@@H](O)[C@H]([C@@H](O)[C@@H](O)CO)O2)C(=O)O	169370536	GDSQFNQIWJCATH-PYEOUPJLSA-N	612.716	3.777	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)CC[C@@H]3[C@@H]4CC[C@H](O)[C@H](Cc5ccc(O)cc5)[C@@H]4O[C@H]1[C@@]32O	2356361996	CEENTTNOSPYUFR-SIYBKTKKSA-N	681.738	3.564	5	1	KHBF	
COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(N[C@H]3CCCCNC3=O)c2cc1OC	105113477	QMMFQYFRRHTUGX-QHCPKHFHSA-N	593.685	3.553	5	1	KHBF	
Cc1c(Br)cnc2[nH]c(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12	587266753	OCBVAZSNESEFSY-UHFFFAOYSA-N	597.423	3.566	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)C=C[C@@H]3C[C@H]([C@H](C(O)O)C4(c5ccc(O)cc5)CCCCC4)O[C@H]1[C@@]32O	2356718857	ICEUPDCRYRITTG-TUBWTFOTSA-N	737.802	3.930	5	1	KHBF	
COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	4045761	BCTKINJQCBTBMS-LEAFIULHSA-N	562.579	3.857	5	1	KHBF	
COc1ccc(N2C(=O)[C@H]3ON([C@@H]4SC(=S)N(C)C4(C)C)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	17297122	FYFGMSMMCSNIJQ-ZVVDCOBXSA-N	528.612	3.518	5	1	KHBF	
CC[C@H](C)[C@H](OCc1ccccc1)[C@@H]1[C@@H](C(=O)NCCCCC(=O)O)N[C@@H](c2ccccc2)[C@H]1[N+](=O)[O-]	95595313	FDGCHLPWBQJVIA-VZRADHSASA-N	511.619	3.964	5	1	KHBF	
CN(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	35874130	KCFRDUOXAJKFFK-AREMUKBSSA-N	522.512	3.737	5	1	KHBF	
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[nH]3)c2)cc([N+](=O)[O-])c1)c1ccc(F)cc1	84653860	VVKWJDZPQKZUNS-FWEOMDSASA-N	652.643	3.746	5	1	KHBF	
COCCN(CC1CCN(Cc2nc3ccccc3o2)CC1)C(=O)c1cc([N+](=O)[O-])c2cccnc2c1O	473106863	YKUYTYKLFUQTOI-UHFFFAOYSA-N	519.558	3.991	5	1	KHBF	
O=C(Nc1ccccc1Br)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1	27102520	COASDVPDUAQZQY-UHFFFAOYSA-N	529.263	3.639	5	1	KHBF	
O=[N+]([O-])c1ccc(CO[P@@](=O)(O)O[P@](=O)(O)C(F)(F)CCCC(F)(F)P(=O)(O)O)cc1	43285227	RTBUZHBOPNAZON-UHFFFAOYSA-N	519.170	3.947	5	1	KHBF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc1-2	587264306	LCKKIBUDBAIGPP-UHFFFAOYSA-N	540.475	3.893	5	1	KHBF	
Cc1c(O[C@H](C)[C@]2(C)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)ccc2c1oc(=O)c1ccccc12	587312650	BOUMWESKAHLHFA-YYNNBWRTSA-N	712.704	3.690	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc([N+](=O)[O-])cc5)[C@H](C2)N(CC2CC2)CC[C@]314	100722800	HIVXXDSZTCJSFW-PVZCHWKXSA-N	529.593	3.574	5	1	KHBF	
C[C@H](N)C(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	169322636	RTLWTNGNXISZBI-HNNXBMFYSA-N	502.497	3.770	5	1	KHBF	
O=C(N[C@H]1CCCc2ccccc21)[C@@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	1772651986	WDWOJXRYOJUWDM-DPPGTGKWSA-N	537.638	3.677	5	1	KHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1	49784804	OCGGXPVGFLYDKY-NRFANRHFSA-N	512.431	3.562	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O	4204619	UFQGZYUVCYATRW-AGHHOFFYSA-N	500.939	3.524	5	1	KHBF	
COC(=O)c1nc(-c2cn(-c3ccc4ccc5cccc6ccc3c4c56)nn2)n(COCCOC(C)=O)n1	95560468	WVWSCHMIZHUBRH-UHFFFAOYSA-N	510.510	3.747	5	1	KHBF	
Cn1c(N)c([C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c2c(O)c3cc(F)ccc3oc2=O)c(=O)n(C)c1=O	103237756	IFUKRZVCPZHRMI-HSZRJFAPSA-N	610.558	3.558	5	1	KHBF	
COc1cc([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)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	587312994	FPAOPNCGYRZXKE-CHIXSEBCSA-N	836.825	3.521	5	1	KHBF	
COC(=O)CN1CCOCCOCCOCCOc2cc(-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)ccc21	28342582	READSMMMYWDJJS-UHFFFAOYSA-N	585.556	3.970	5	1	KHBF	
CC[C@]1(O)c2cc3nc4c(c5nc(cc6[nH]c(cc([nH]2)[C@]1(C)O)c(C=O)c6C)[C@@H](C)[C@@H]5CCC(=O)OC)c(=O)oc(=O)c-4c3C	169366529	ATKVKVYJSDJQAS-FQWBETMZSA-N	614.655	3.946	5	1	KHBF	
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@@H](c3ccccc3)N2[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c([N+](=O)[O-])c1	1772632418	CFTNLCMFJKWUBB-ZDJNHPEVSA-N	549.540	3.750	5	1	KHBF	
C[N+](C)(C)CCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5	26674661	BZGIEZVXZGYLPM-CBZTZNMZSA-O	500.663	3.821	5	1	KHBF	
O=C(NCCC[C@@](NC(=O)OCc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(F)F)OCc1ccc([N+](=O)[O-])cc1	95555402	YHENFYACUSZRQO-QFIPXVFZSA-N	540.432	3.524	5	1	KHBF	
CC(C)=CC[C@@H]1Cc2c(OCCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc(=O)n(CCCO)c2CC1(C)C	1857610161	KXSGQFOTRNZIIS-OAQYLSRUSA-N	561.701	3.984	5	1	KHBF	
CCCCOC(=O)CNC(=O)[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCCCC	26188279	POURTMZUHGGLAM-LOSJGSFVSA-N	719.770	3.958	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)c3cc([N+](=O)[O-])ccc3N)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	299820051	FHILUDWYDHPNBE-QWBXGMEYSA-N	578.530	3.764	5	1	KHBF	
Cc1ccccc1[C@@H](N)Cn1c(=O)c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(C)n(Cc2c(F)cccc2F)c1=O	1857636432	YKLABDGJOBXILC-LJAQVGFWSA-N	604.658	3.884	5	1	KHBF	
CN(C)CCNC(=O)c1ccc(NCCN(C)CCNc2ccc(C(=O)NCCN(C)C)c3[nH]c4ccc(O)cc4c(=O)c23)c2c(O)c3cc(O)ccc3nc12	95546163	XIWBQKQDZZRIHI-UHFFFAOYSA-N	763.900	3.538	5	1	KHBF	
CCn1c(CCn2cc([N+](=O)[O-])cn2)nnc1SCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587659143	YFAPPPHRDFRHMT-UHFFFAOYSA-N	566.550	3.733	5	1	KHBF	
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C[N+]5(C)CCNCC5)c4)ccc3F)c2)CCN1	34644476	NDAMODMAZTURFF-DEOSSOPVSA-O	530.712	3.766	5	1	KHBF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@H]1c1cccc2nc3ccccc3nc12	961956069	XUNQHXBVQWLMHC-GSBZAIBZSA-N	559.626	3.564	5	1	KHBF	
COc1cc(O)c2c(=O)c3ccc(O)c(O[C@@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@@H]4O)c3n(C)c2c1	86041836	VMABFFUJXPHEJX-VSGBNLITSA-N	531.517	3.870	5	1	KHBF	endogenous,in-man
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCNC(=O)c3c4ccccc4nc4ccccc34)cn2C)cn1C	28711800	RAGHWEHFDFFNDN-UHFFFAOYSA-N	622.730	3.757	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cnc4ccccc4c3[nH]2)c([N+](=O)[O-])c1	587266190	JJUAHJKIJACWEF-UHFFFAOYSA-N	554.560	3.649	5	1	KHBF	
O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4081235	CJTDDLSDCRNAKN-APTRMMRNSA-N	509.902	3.919	5	1	KHBF	
COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)[C@@H]1c1ccc(F)c(F)c1	27549072	JCWKQYAUPMXURC-CRICUBBOSA-N	586.596	3.697	5	1	KHBF	
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3ccc(Br)cc3c3c4c(c5c6cc(Br)ccc6[nH]c5c32)C(=O)N(C)C4=O)O[C@@H]1CO	29481812	DEZGMCLFUSECBD-GPGAIDBRSA-N	673.314	3.806	5	1	KHBF	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(o/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N1	103186587	HHRSEAIHRXHYAK-DLBLZJNESA-N	514.925	3.967	5	1	KHBF	
Cc1ccn2c(C(=O)NCCCC(=O)N3CCN(c4nc(=O)c5cc(C(F)(F)F)cc([N+](=O)[O-])c5s4)CC3)c(C)nc2c1	653743730	CJDVOEMSAZALIP-UHFFFAOYSA-N	617.610	3.707	5	1	KHBF	
O=C(NCCCN1CCCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4054293	RBAOXRQLGCHIDH-GMAHTHKFSA-N	500.939	3.671	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587267346	XHSOAUWCKOSWJN-UHFFFAOYSA-N	688.716	3.910	5	1	KHBF	
COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC	105119439	IAJGUEZURGUWFB-HSZRJFAPSA-N	593.685	3.967	5	1	KHBF	
COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(N[C@H]3CCCCNC3=O)c2cc1OC	105119446	IAJGUEZURGUWFB-QHCPKHFHSA-N	593.685	3.967	5	1	KHBF	
CCCCCOc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br	587274331	ZZQCIQGZVSYCPZ-OALUTQOASA-N	507.341	3.836	5	1	KHBF	
O=C(O)c1c(=O)c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4ccco4)CC3)cc2n2c1sc1ccccc12	101456401	DVAHKLFNTQDXRF-UHFFFAOYSA-N	518.507	3.829	5	1	KHBF	
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6n(C)c5c32)C(=O)N(C)C4=O)O[C@@H]1CO	169368965	MPVYKSPETVLKLL-VWXUYETNSA-N	598.439	3.599	5	1	KHBF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@@H](N)Cc5ccc([N+](=O)[O-])cc5)[nH]c4c3)cc2)CC1	587270792	OZFWBPKXWLPCLZ-DEOSSOPVSA-N	513.602	3.713	5	1	KHBF	
Cc1cc2c(cc1O)[C@@](C)(c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-])N[C@H](C(=O)O)C2	963471165	MVWGTZGHTFPVKR-IDISGSTGSA-N	526.590	3.528	5	1	KHBF	
CC(=O)NCSC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1cccc(OC(F)(F)F)c1	104959365	RWFYMDDJXNTENL-IBGZPJMESA-N	597.597	3.859	5	1	KHBF	
COC(=O)C(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621691	XOPNMKQQQUKBHX-UHFFFAOYSA-N	554.493	3.816	5	1	KHBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)c(=O)c3ccccc23)c(O)c1	587666476	BUADDJXCQFDXTF-UHFFFAOYSA-N	539.552	3.852	5	1	KHBF	
C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C	82147976	XUJKVVDDYIMTKL-SQOJHYPKSA-N	506.607	3.554	5	1	KHBF	
CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN1CCCC1=O	4214354	ZYMBNNVYHUEBBN-BJKOFHAPSA-N	504.584	3.755	5	1	KHBF	
COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	28971025	GNXFREBJHBUDDY-VPBXCIAMSA-N	547.520	3.949	5	1	KHBF	
CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-]	95605325	CXWVIVHQMQUTPY-UHFFFAOYSA-N	509.584	3.737	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3C(=O)c4ccccc4C3=O)c2c1	587620176	AFSQRCTVCWBWNJ-UHFFFAOYSA-N	506.496	3.995	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C[C@@H](N)C(=O)O)c2c1	587620854	HSYFUYOMWRYKFF-GOSISDBHSA-N	510.528	3.507	5	1	KHBF	
COC(=O)[C@@H](NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(C)C	40848017	KROWIOBSVVOHEX-DEOSSOPVSA-N	510.550	3.969	5	1	KHBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1	66252811	VXZUINOOUDXPAT-SHZPJRIYSA-N	589.603	3.826	5	1	KHBF	
CC[C@@H](C)C[C@H](C)/C=C(/C=C(C)/C=C/C=C/C=C/C=C/C=C/c1cc2c(c(=O)o1)[C@H](O)[C@@H](O)[C@H]([C@@H](O)[C@@H](O)CO)O2)C(=O)O	169370535	GDSQFNQIWJCATH-SLAPKLBDSA-N	612.716	3.777	5	1	KHBF	
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-])cnc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586914960	ZZDLUCJPTYXUDJ-LXSIDBNISA-N	614.740	3.771	5	1	KHBF	
CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2cccc([N+](=O)[O-])c12	587648059	ZMQFWVHEWUYFEN-DRTRTFRYSA-N	519.639	3.744	5	1	KHBF	
COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)[C@@H](C2)N(C)CC[C@]315	101141424	PJWLZVHHANRDDX-WJCIMCJESA-N	545.636	3.877	5	1	KHBF	
O=[N+]([O-])c1ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2c1	586943516	ZIJAJYMCRSXTCY-UHFFFAOYSA-N	504.160	3.517	5	1	KHBF	
COC(=O)[C@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@@]1(OCCn1c([N+](=O)[O-])cnc1C)c1ccccc1	44086439	JUXQVALHKFYTBT-YZNIXAGQSA-N	556.575	3.963	5	1	KHBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715696	QGTFDZFDVRWNAC-WUFINQPMSA-N	590.677	3.929	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC	504610439	VGOYUFKGSPMAOZ-BBXSYUKCSA-N	562.531	3.755	5	1	KHBF	biogenic
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@H](c3ccccc3)N2[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c([N+](=O)[O-])c1	1772632417	CFTNLCMFJKWUBB-XCRWMPKNSA-N	549.540	3.750	5	1	KHBF	
C[C@](O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857609160	WMNKLVBNNNMUBW-INIZCTEOSA-N	500.373	3.796	5	1	KHBF	
COc1ccc(CCNc2ccc([C@H](CC(N)=O)NC(=O)c3cc(OC)ccc3OC)cc2[N+](=O)[O-])cc1	15935803	CKVCOGZVNQAPAL-QHCPKHFHSA-N	522.558	3.622	5	3	KHBF	
C[N+]1(CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)[C@H]2CCC[C@@H]1CC2	26662754	WTFMCEXVAITAAK-JSCZQJHCSA-O	557.545	3.986	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC	504610450	VGOYUFKGSPMAOZ-PGTVGAIHSA-N	562.531	3.755	5	1	KHBF	biogenic
Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1	587953721	PVVWRXFXPBNYIJ-PMACEKPBSA-N	504.455	3.691	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Cl)nc(Cl)c3[nH]2)c([N+](=O)[O-])c1	587266334	KSRUFTKGYCNUGD-UHFFFAOYSA-N	573.390	3.802	5	1	KHBF	
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-c2cccc(Br)c2[N+](=O)[O-])cc1	587937494	SQYKOOWNRHURMK-DWMAAXGWSA-N	787.477	3.566	5	1	KHBF	
O=C(NCCCN1CCCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4205098	OIPDTCANNZZZBG-GMAHTHKFSA-N	500.939	3.671	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1OC[C@H](CO)C1(c2ccc(O)cc2)CCCC1	2356365542	NSKWFBVNXBJYAR-GXZWXEPGSA-N	657.716	3.524	5	1	KHBF	
CC(=O)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4c(CC(=O)O)cc([N+](=O)[O-])cc4n3O)cc2)cn1	49035299	QRPSHHMUHCVWAC-YCRREMRBSA-N	501.455	3.725	5	1	KHBF	
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)N1CCc2[nH]c3ccccc3c2C1	2356813591	DUTHMEFWNNQEPL-SUEGEBTOSA-N	535.604	3.987	5	1	KHBF	
O=C(CCN1CCCC[C@H]1CO)Nc1ccc2cc3ccc(NC(=O)CCN4CCCC[C@@H]4CO)cc3nc2c1	26490052	CJDRVVUXCIZWRZ-MKPDMIMOSA-N	547.700	3.739	5	1	KHBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723522	HLARRBJEHUGPFZ-TZIWHRDSSA-N	512.431	3.776	5	1	KHBF	
COc1ccc([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)cc1COc1ccc([N+](=O)[O-])cc1Cl	587283902	FUUZWRSGFYHCJE-NVGCTPTOSA-N	738.098	3.786	5	1	KHBF	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@H](c2cnc(O)nc2O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963240688	RQCQRZDRMAPTJO-JTHBVZDNSA-N	615.511	3.760	5	1	KHBF	
CCO[P@@](=O)(Cc1ccc(Nc2ncc([N+](=O)[O-])c(=Nc3ccccc3C(=O)NC)[nH]2)cc1)N1CCOCC1	1857753991	ISIFJOGLNBZMQC-KDXMTYKHSA-N	555.532	3.715	5	1	KHBF	
CC(=O)NCCNC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1	82136120	SGYIZNYRXXALOP-UHFFFAOYSA-N	502.453	3.549	5	1	KHBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1c1ccccc1[N+](=O)[O-]	26491461	RQFLHLQXMZXOHO-APHLTRPNSA-N	555.565	3.621	5	1	KHBF	
C[C@H]1COc2c(N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23	29127235	AJFFTARNFHEDPD-NSHDSACASA-N	557.922	3.838	5	1	KHBF	
COCCCNC(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1	82148035	RZLKJYINNJLNDT-UHFFFAOYSA-N	509.563	3.514	5	1	KHBF	
COCCc1ncc([C@H]2N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)cn1	963028933	TZLMMRQOEGPTHV-XTEPFMGCSA-N	505.578	3.903	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4=O)[C@H](O)[C@H]1O	29391849	IDJBSIHZPGRCAI-KXLPGGIASA-N	584.412	3.588	5	1	KHBF	
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)N1CCc2c([nH]c3ccccc23)C1	2356874778	JFJYDXHMKODWMX-DJDVJBCNSA-N	535.604	3.987	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Oc4ccc(Cl)cc4[N+](=O)[O-])cc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587286744	TZHSGERBJZZBCM-CUOCVEGISA-N	694.045	3.991	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(SC4CCCCC4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587317193	ZLPIWZZMLTULFP-BIUVMLSKSA-N	681.716	3.970	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCCC1=O	4153481	DCIITVUGPPIAAM-LADGPHEKSA-N	514.966	3.867	5	1	KHBF	
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/C(=O)N1CCc2ccc([N+](=O)[O-])cc21)CCC(N)=O	26674770	ZSHSSGLQUYAHTA-YXFGCGRZSA-N	712.804	3.859	5	1	KHBF	
O=C(O)CCc1cc2c(-c3cccc(C(=O)O)c3C(=O)O)c3cc(CCC(=O)O)c(=O)cc-3oc2cc1O	26838721	RLGXKSZPRPXIPH-UHFFFAOYSA-N	520.446	3.701	5	1	KHBF	
COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@H]2C)[C@H]1c1ccc(F)c(F)c1	169372510	JCWKQYAUPMXURC-NSYGIPOTSA-N	586.596	3.697	5	1	KHBF	
CCNC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715750	NCZMUOVWUNLZDT-LMSSTIIKSA-N	603.720	3.892	5	1	KHBF	
O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@]23CCCN13	206040333	IAZJVOBBEPSFPD-FYBXHKAZSA-N	542.614	3.964	5	3	KHBF	
COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4076023	DTIOSGUDESTSRO-RSXGOPAZSA-N	518.526	3.806	5	1	KHBF	
O=C(NCCCC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)O)OCc1ccccc1	82085028	RCVGHBXODODFDU-SFHVURJKSA-N	512.544	3.998	5	1	KHBF	
Cc1c([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)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	587283306	DAHCWNGOHBIWGS-NRDBGHATSA-N	759.120	3.991	5	1	KHBF	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1[C@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963227221	FSYHDSBCOKFQFW-SQHAQQRYSA-N	525.477	3.881	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1	4055015	XLOPQLILRORGPT-FYYLOGMGSA-N	520.417	3.747	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Oc4ccc(Cl)cc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587287523	YFLKLWAMPHZCDM-CUOCVEGISA-N	694.045	3.991	5	1	KHBF	
O=C(O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NNC(=S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1	27769687	RJDOLVVDEBVTNY-UHFFFAOYSA-N	596.691	3.775	5	1	KHBF	
COc1cc2nc(N3CCN(CCNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCn3ccnc3)c2cc1OC	105128195	LQXGRVILWGTBFI-UHFFFAOYSA-N	631.738	3.515	5	1	KHBF	
CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@@H](C(C)C)C(=O)N1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	29402444	GIPQGBRJIMGNJG-FLBADVGZSA-N	646.807	3.814	5	1	KHBF	
CN1CCN(c2ccc(NCCNc3ccc([N+](=O)[O-])c(N)n3)nc2-c2ccc(Cl)cc2Cl)C(=O)C1	64532059	KLSRELDSEJWOAS-UHFFFAOYSA-N	531.404	3.743	5	1	KHBF	
Nn1c(SC[C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1	963237798	UTPACXNPNXHPCJ-RBJSKKJNSA-N	553.604	3.750	5	1	KHBF	
O=C(CCCN1C(=O)C=CC1=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1[N+](=O)[O-]	299858040	GBSPCDOSPAOGOD-UHFFFAOYSA-N	595.200	3.660	5	1	KHBF	
COc1cc2c3cc(OC)c(O)c4c(=O)c(OC)c5c(c6c(c(OC)c(=O)c(c1O)c26)[C@@H](C(C)=O)[C@H]5C(C)=O)c43	2356475662	LMLKHGZNEVLYPX-IYBDPMFKSA-N	544.512	3.700	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1	4041765	AOSDHAHNAUUCFX-RSXGOPAZSA-N	520.517	3.979	5	1	KHBF	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-]	1772653840	CFXUTXVWWXEICY-HFTRVMKXSA-N	519.580	3.699	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1OC[C@H](CO)C1(c2ccc(O)cc2)CCCCC1	2356745332	SMRBJHIDMYGOLV-DKTXRLPQSA-N	671.743	3.914	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC	4054316	RHMZPOMTPAZFKU-UPVQGACJSA-N	516.982	3.959	5	1	KHBF	
COC(=O)c1nc(-c2cn(Cc3ccc4ccc5cccc6ccc3c4c56)nn2)nn1COCCOC(C)=O	95564304	JMSSYQQXEYEWCN-UHFFFAOYSA-N	524.537	3.806	5	1	KHBF	
CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@H](C(=O)NC)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715710	KJPZGJYUDUIYGW-YTMVLYRLSA-N	603.720	3.892	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4051307	KWAVUKXHOZLVPZ-YJGRUCBDSA-N	540.573	3.829	5	1	KHBF	
Cc1cc2c(NCCCN3CCN(C(=O)c4ccccn4)CC3)nnc(-c3cccc([N+](=O)[O-])c3)c2n1C	49072664	PCVVZGUTKQGCCS-UHFFFAOYSA-N	514.590	3.507	5	1	KHBF	
CC(=O)OC[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	253683154	APBWYWHXIZTNSS-HYHAXLJASA-N	669.643	3.910	5	1	KHBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](n1cnc2c(OCc3ccccc3)nc(=N)[nH]c21)C(Cl)(Cl)Cl	1857553160	LUEUGTQBZZJOJQ-SFHVURJKSA-N	584.808	3.526	5	1	KHBF	
O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4055965	SVCCLVLLBJUFIL-DPQOWFAMSA-N	523.929	3.789	5	1	KHBF	
N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587046090	WRHXOBFNMUXSLE-XWXRBBKJSA-N	546.701	3.671	5	1	KHBF	
CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCCCC	1772640378	UAGGKRAFPPQFFY-SFTDATJTSA-N	685.753	3.556	5	1	KHBF	
CCCCOC(=O)COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104968636	IEUPTJNORSJQMT-HXUWFJFHSA-N	541.582	3.920	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@H](NC(=O)OC(C)(C)C)C(=O)O)c2c1	587621309	SYGPKDWZNWLALK-FQEVSTJZSA-N	534.547	3.844	5	1	KHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])N1	587744240	GNYWBDWADSGFBB-ZSEKCTLFSA-N	504.316	3.796	5	1	KHBF	
CC(C)(C)NC(=O)[C@@H]1c2ccccc2CCN1c1nc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2C(C)(C)C	28868357	HWNJLOYBNBZRCK-FQEVSTJZSA-N	521.574	3.776	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4=O)[C@H](OC(C)=O)[C@@H]1O	43920216	DJEHIHYFWKWDGG-RWLPBZIGSA-N	612.422	3.817	5	1	KHBF	
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)COc1cc2oc3cc(OCC(=O)N[C@H](Cc4cnc[nH]4)C(=O)OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C	299855581	BMWSXIFWXNFPMR-FQLXRVMXSA-N	828.876	3.683	5	1	KHBF	
O=C(O)[C@H](Cc1c[nH]c2ccc(OCCCCC3CCNCC3)cc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	473136457	RRVPNCOMVGBLLU-VWLOTQADSA-N	544.630	3.599	5	1	KHBF	
CC(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(Oc1ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c1[N+](=O)[O-])C2	1772592383	OLUGZKGEPJBNFE-ZIAGYGMSSA-N	523.543	3.590	5	1	KHBF	
COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	4053613	BXDIRNROJLDOFL-AHWVRZQESA-N	519.510	3.791	5	1	KHBF	
CCCCNC(=O)[C@@H](C)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C	96023016	VPRWOMAVFGOQJF-ZORMNXRFSA-N	692.814	3.924	5	3	KHBF	
CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82136050	VLHRXTVFRUZTET-OAQYLSRUSA-N	502.575	3.804	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCCNc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	96938879	XETZXRXIAQILGL-ULBKPHCJSA-N	563.563	3.724	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1	769611	WDBIMTCJJLWMMI-WSNNEZGNSA-N	567.599	3.607	5	1	KHBF	
COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	4052176	PWLBLEZSIRNRSD-JYFHCDHNSA-N	519.510	3.791	5	1	KHBF	
CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712108	UCVDWOQDVUUYOI-CYBWEPMMSA-N	555.565	3.967	5	1	KHBF	
CC(=O)Oc1ccc2c3ccc(OC(C)=O)c4c(=O)cc(OC(C)=O)c(c5c(OC(C)=O)cc(=O)c1c25)c43	13650840	SITBIEIPAGVGQQ-UHFFFAOYSA-N	514.442	3.597	5	1	KHBF	
NS(=O)(=O)c1cccc(-n2cc(CNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)nn2)c1	653803658	LNCLRLKBMUZUDO-UHFFFAOYSA-N	642.675	3.683	5	1	KHBF	
NC(=O)c1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c([N+](=O)[O-])c1C(N)=O	28521132	SPSBMZOSIBQRCH-CRDHKZEPSA-N	600.628	3.879	5	1	KHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	587871772	CSZGXMLJSCBCIM-UHFFFAOYSA-N	502.524	3.737	5	1	KHBF	
CO[C@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)[C@H](O)[C@H]1O	27519875	FDNDTODTDPFKCS-FUHOSHINSA-N	556.402	3.606	5	1	KHBF	
O=C(O)C(=O)[C@@H]1Cc2ccc([N+](=O)[O-])cc2CN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1	27520421	CVMQTPIUJOGYIP-NRFANRHFSA-N	500.916	3.685	5	1	KHBF	
NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)Nc3ccc([N+](=O)[O-])cc3)CCCCC2)CC1	28461607	DZZDITVRZUEXFJ-AREMUKBSSA-N	648.592	3.947	5	1	KHBF	
CCOc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC	82134986	NYCCAYYIMOKCJQ-UHFFFAOYSA-N	507.547	3.586	5	1	KHBF	
NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCc2ccccn2)c([N+](=O)[O-])c1	13878923	WOVIIODUEVTMFY-FQEVSTJZSA-N	512.364	3.640	5	3	KHBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1	587267762	QEDIEBUIKTZXIU-CYBMUJFWSA-N	513.497	3.508	5	1	KHBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H](N)Cc5ccc([N+](=O)[O-])cc5)[nH]c4c3)cc2)CC1	587270816	QNAPILAZMOUNAX-VWLOTQADSA-N	527.629	3.756	5	1	KHBF	
NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1	38146264	NXLRHXVLEGUREI-OAQYLSRUSA-N	532.439	3.531	5	3	KHBF	
CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)C1	767133	RELGSDFJSHDXLG-VZPUWSDOSA-N	524.530	3.541	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)c1ccccc1	771641	DBRAKTHLURFTNL-KHMOSXFSSA-N	519.510	3.664	5	1	KHBF	
CC[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)CC)NC(=O)OCc1ccccc1	26816420	FSOHMFCAJUTNFT-RRJCBXKSSA-N	719.770	3.955	5	1	KHBF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@H]1c1nc2ccccc2c2ncccc12	961952168	ODNZDRFHCYJTQN-WAKHXKBOSA-N	559.626	3.564	5	1	KHBF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	105164733	TUXWZXMYUSVZKM-KRWDZBQOSA-N	528.491	3.702	5	1	KHBF	
O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	1772656107	AQJVHFIAOJBCFO-UHFFFAOYSA-N	504.568	3.745	5	1	KHBF	
O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4211212	FVSSBRQJQHFRNA-UCFCWBNQSA-N	509.902	3.919	5	1	KHBF	
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1C[C@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C[C@H]1C(=O)NC1(C(=O)O)CC1)C(C)C)C1CCCCC1	28105076	PNNSWROOVBIKKM-BHSUFKTOSA-N	691.782	3.569	5	1	KHBF	
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)n(Cc5ccccc5[N+](=O)[O-])nnc43)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	82196681	RQSLPIDCZACCJF-MZONXJPGSA-N	706.712	3.590	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cccc12	586934587	HMOODAREAKJGHM-QGZVFWFLSA-N	559.052	3.627	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(-c4ccc([N+](=O)[O-])cc4Br)o2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587281668	FXNHDBRITJBSET-RHDLFITASA-N	712.458	3.568	5	1	KHBF	
O=C(O)c1cn(C2CC2)c2cc(N3CCN(Cn4nc(CN5CCN(c6ccc([N+](=O)[O-])cc6)CC5)oc4=S)CC3)c(F)cc2c1=O	1911580140	KAZLPCHAMJAZGV-UHFFFAOYSA-N	664.720	3.703	5	1	KHBF	
COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NC[C@@H](C)O)c2cc1OC	105119431	LIWIVBGINDVXLB-GOSISDBHSA-N	540.621	3.679	5	1	KHBF	
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-])cnc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586914961	ZZDLUCJPTYXUDJ-MUHCOTBASA-N	614.740	3.771	5	1	KHBF	
CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1	586937010	PRNRMDGUYZRBLV-SFHVURJKSA-N	530.031	3.767	5	1	KHBF	
COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	767348	YUAACLCTYUAECG-AOYPEHQESA-N	519.510	3.791	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	95549756	IGQDLIZOGKDLQA-BEYZLAPNSA-N	792.964	3.997	5	1	KHBF	
CC(=O)OC[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	253683190	APBWYWHXIZTNSS-XRJRXOSVSA-N	669.643	3.910	5	1	KHBF	
COc1ccc(CCC[N@+]2(CCCc3ccc(C(=O)NCCCN(C)C)cc3)CCC[C@@H](NC(=O)c3nc(Cl)c(N)[nH]c3=N)C2)cc1	473134101	FKUMOKWBYVJMJZ-KNTLSSDESA-O	666.291	3.789	5	1	KHBF	
COc1cc(O)c2c(=O)c3ccc(O)c(O[C@@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@@H]4O)c3[nH]c2c1	14612722	LCGFAZIBUURPDA-KAYWLYCHSA-N	517.490	3.860	5	1	KHBF	endogenous,in-man
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@H]1CCCO1	26477771	OSQXDLXGECZIEZ-PIANUSPTSA-N	597.602	3.738	5	1	KHBF	
CN(C)CCn1c(=O)c2ccc(NCCCN(C)CCCN3C(=O)c4cccc5cccc(c45)C3=O)c3c(=O)c4ccccc4n(c1=O)c23	150541310	VBPZLBBBTVXOJP-UHFFFAOYSA-N	658.759	3.701	5	1	KHBF	
CC(C)[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	206917784	NXKVESZLJXMGAT-PZJWPPBQSA-N	506.481	3.884	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1	587266869	PRYLAHHXGFWNIG-MCMMXHMISA-N	542.530	3.723	5	1	KHBF	
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-])ccc2SCc2ccccc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587314641	MGALDAZXWPHBRB-SEECOPSQSA-N	689.695	3.838	5	1	KHBF	
COc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccc1OCn1cc([N+](=O)[O-])cn1	962713219	TZRBOTQMHHAVPO-FXAWDEMLSA-N	510.400	3.683	5	1	KHBF	
CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OCCCC	1772576299	HCZKQGDTOWAZPB-GOTSBHOMSA-N	751.728	3.960	5	1	KHBF	
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)[N@+]12CN1C(=N2)C(C(=O)O)=Cc2ccccc21	1857573412	WKVPPZCYTALCLU-QYMXLVAHSA-O	591.595	3.582	5	1	KHBF	
O=C(Nc1ccc2c(=O)c3c(sc4c(=O)c5ccc(NC(=O)C(F)(F)F)cc5c(=O)c43)c(=O)c2c1)C(F)(F)F	1857617242	ILMPAUWUDBTYON-UHFFFAOYSA-N	566.391	3.679	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@H](O)c1ccccc1	4204487	LDIZMHOCODJYCR-NOOLENRPSA-N	535.553	3.952	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	95613196	QSDYWKIHXOZPDJ-NMSSXOKVSA-N	790.867	3.969	5	1	KHBF	
CN1CCC(N2CCC(NC(=O)c3cc(-c4c(O)cc(O)cc4Oc4ccc([N+](=O)[O-])cc4)on3)CC2)CC1	96940114	KTNWQBRXMASWOU-UHFFFAOYSA-N	537.573	3.742	5	1	KHBF	
COc1cc2nc(N3CCC(CNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NC[C@@H](C)O)c2cc1OC	105136572	WGWKTQHVLQMTOC-LJQANCHMSA-N	566.659	3.703	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4=O)[C@@H](O)[C@@H]1O	43693220	IDJBSIHZPGRCAI-LXNSCWCDSA-N	584.412	3.588	5	1	KHBF	
COc1cc(OCc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)ccc1[N+](=O)[O-]	587261596	FBJXIKYOKQIBQE-UHFFFAOYSA-N	564.580	3.657	5	1	KHBF	
COc1cc(O)c2c(=O)c3ccc(O)c(O[C@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@H]4O)c3n(C)c2c1	86041845	VMABFFUJXPHEJX-NSOVKSMOSA-N	531.517	3.870	5	1	KHBF	endogenous,in-man
COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCN3CCCC3=O)c2cc1OC	105121798	BFLIGUCGUYQBEQ-UHFFFAOYSA-N	565.631	3.520	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195187336	DNTPWIYELJHBBB-AXMATDGNSA-N	776.840	3.578	5	1	KHBF	
C[C@@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C	105175347	XUJKVVDDYIMTKL-ZGMMZYFLSA-N	506.607	3.554	5	1	KHBF	
COc1ccc(/C=C2\NC(=O)[C@@H]3Cc4cc(OC)c(OC)cc4[C@@H](c4cccc([N+](=O)[O-])c4)N3C2=O)cc1OC	1857596351	PIYFOGSVCBIOGI-ZVBHUUSFSA-N	545.548	3.643	5	1	KHBF	
CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	27563672	COYXUFNFFWVLGI-LJAQVGFWSA-N	603.720	3.679	5	1	KHBF	
CC[C@@H](COC)Nc1nc(N2CCN(CCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	105128202	SRDHYWAIROGFRM-QHCPKHFHSA-N	609.728	3.653	5	1	KHBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1	587265524	FXETZHDWDKNECQ-CLYVBNDRSA-N	588.625	3.913	5	1	KHBF	
COc1cc2nc(N3CCC(CNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCN3CCCC3=O)c2cc1OC	105136037	SBAYZWHOIRINBS-UHFFFAOYSA-N	605.696	3.934	5	1	KHBF	
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]1O)[nH]3	255269496	SZACMGUKZJAHEE-KUOIDRROSA-N	700.789	3.582	5	1	KHBF	
COC(=O)c1c(O)cccc1OCCCNC(=O)c1cn(Cc2ccc(F)cc2)c2ccc([N+](=O)[O-])cc2c1=O	299840517	XSUZGQNOQRGFNJ-UHFFFAOYSA-N	549.511	3.788	5	1	KHBF	
Cc1c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C[C@@H](N)c2cccc(F)c2)c(=O)n1Cc1c(F)cccc1F	1857629812	KXWUIWSCCPNHLE-MUUNZHRXSA-N	608.621	3.714	5	1	KHBF	
CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn(-c4ccc(OCCN5CCOCC5)c([N+](=O)[O-])c4)nn3)cc2)[nH]o1	1911581534	HGASFWBCJMIDEF-UHFFFAOYSA-N	576.614	3.905	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4153752	JLGUHZXFVYHSGP-KXXXHFJOSA-N	568.583	3.940	5	1	KHBF	
CCCCN(CCCC)CCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104960202	XQKNKEFVDQHKAN-NRFANRHFSA-N	578.761	3.662	5	1	KHBF	
CCC1=C(C(=O)OC)[C@@H](c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1	27525871	UJAZDXIAIGDQSX-AREMUKBSSA-N	607.664	3.805	5	1	KHBF	
O=c1cnn(-c2cc(Br)c(Sc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(=O)[nH]1	28763801	CCTRHJOCGWJQEN-UHFFFAOYSA-N	500.128	3.505	5	1	KHBF	
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-])ccc2SC2CCCCC2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587316762	XLYILWJPSDEBDC-LMWQPGMKSA-N	681.716	3.970	5	1	KHBF	
O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12	2356862883	SUEFNMQRUDYAQO-KVLUZIAQSA-N	538.608	3.546	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC	4055423	YCKLVPRPTJMLGV-DVLROOGXSA-N	503.939	3.777	5	1	KHBF	
Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)OCCCC(=O)O)ccc3n(C)c12	26276146	CWFZQSPFEBPFIP-UHFFFAOYSA-N	506.559	3.860	5	1	KHBF	
C[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]2CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccc4c(N(C)C)cccc34)[C@H]12	29468127	FUJNKKUFEJYIOW-YORPTFRRSA-N	591.690	3.620	5	1	KHBF	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1	101091573	FFXLCCZAXLBJFW-OYRHEFFESA-N	532.663	3.802	5	1	KHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	103286123	WJKPARWZIFRSFI-MUUNZHRXSA-N	590.677	3.716	5	1	KHBF	
CCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H]3C	169710588	NFGWKOSFJPCAEW-MPQZGOHUSA-N	976.134	4.008	5	1	KHBF	
COc1c(OC)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(OC)c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c23)c54	2356284305	VZOAWONERRCHDP-ZIAGYGMSSA-N	578.614	3.794	5	1	KHBF	
C[N+](C)(CCCCCC[N@@+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O	299828333	IZPDHAHWQOHFNJ-ZTJBHUKZSA-N	619.803	3.756	5	1	KHBF	
COc1cc([C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	962931727	OZQXJWKBTBTTHL-VWLOTQADSA-N	525.583	3.616	5	1	KHBF	
O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nnn[nH]2)c1)c1cc(C(=O)N2COC[C@@H]2c2cc(F)c(F)c(F)c2)cc([N+](=O)[O-])c1	84668771	CFJWNVKGRCYIPW-LXQNXJGFSA-N	716.633	3.704	5	1	KHBF	
COC(=O)[C@H]1C[C@]23C(=NC(c4ccc([N+](=O)[O-])cc4)=C(C(F)(F)F)[C@H]2N(C)c2ccccc23)N1C(C)=O	169356345	STOSLYZGNWZDMV-MEKIYTOJSA-N	514.460	3.831	5	1	KHBF	
COC(=O)C[C@@]1(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])NCCc2cccc(-c3ccccc3)c21	962656414	AUFWTTIJAZFISJ-AREMUKBSSA-N	505.483	3.909	5	1	KHBF	
CN(C)C1=N[C@@H](c2cn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2-c2ccc(Cl)cc2Cl)NC(=N)N1	1857534320	HMBPAYDICHSQNT-SFHVURJKSA-N	518.321	3.706	5	1	KHBF	
CCn1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)c1=S	1857598795	LFOPYNJMOFWRPO-UHFFFAOYSA-N	677.763	3.936	5	1	KHBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	4076588	KWUCNFULYXVAIG-IXCJQBJRSA-N	562.579	3.857	5	1	KHBF	
O=C(CCCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)NCCCCN1CCN(c2ccccc2Cl)CC1	45299609	COTKLVQQQQPMTM-UHFFFAOYSA-N	526.041	3.870	5	1	KHBF	
COc1cc([C@H]2c3cc4c(cc3[C@H](NCc3ccc([N+](=O)[O-])cc3)[C@@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O	73330303	PXPYSACVTXZLEY-IWRQBJDLSA-N	534.521	3.812	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)[C@@H](O)[C@@H]1O	253685469	FDNDTODTDPFKCS-FXWYMFITSA-N	556.402	3.606	5	1	KHBF	
Cc1ccc([C@@]2(c3ccc(Cl)c([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	587286816	UCFJFTIGPVXKLW-LMQCMXTLSA-N	692.073	3.710	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@@H]1O	28473216	SWORYDJCKUWKPZ-UPHUXNDBSA-N	578.471	3.552	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4=O)[C@H](OC(C)=O)[C@H]1O	43920220	DJEHIHYFWKWDGG-SBLJZRRHSA-N	612.422	3.817	5	1	KHBF	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(o/c(=C\c3ccc(Cl)cc3)c2=O)=N1	103168378	XRLUAVSATKMVNM-DLBLZJNESA-N	514.925	3.967	5	1	KHBF	
C[C@H](C[C@@]1(C(=O)O)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	963233449	JVQZCFISXYVZTD-ABBOYYHSSA-N	635.538	3.860	5	1	KHBF	
C[C@@H](CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1	13643824	XDMSCJBUSTWQPT-FQEVSTJZSA-N	503.559	3.619	5	1	KHBF	
CC(C)[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N1C(=O)CC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	45323026	NXKVESZLJXMGAT-FPOVZHCZSA-N	506.481	3.884	5	1	KHBF	
O=C(O)CN1CCOCCOCCOCCOc2cc(-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)ccc21	84672330	YUYQJHWBLAFEMN-UHFFFAOYSA-N	571.529	3.882	5	1	KHBF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)C1	105162929	AMBWMWGLPXEPJY-KRWDZBQOSA-N	528.491	3.702	5	1	KHBF	
COc1cc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	587260730	BJXKUGNOUWQRSK-UHFFFAOYSA-N	564.580	3.754	5	1	KHBF	
COc1ccc(CCNC(=O)[C@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1	59938741	CANICMYTUWQJGA-NAKRPHOHSA-N	500.555	3.567	5	3	KHBF	
Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc(C)c1C[C@@H](N)C(=O)N[C@H](C)C(=O)NCCCc1ccccc1	27989398	HDPKYJACSNOZKO-SKCUWOTOSA-N	532.641	3.914	5	1	KHBF	
O=C(O)c1ccc2c(c1)[C@H](SCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1CO2	3923149	HWMUAQRZWRTGJU-JOCHJYFZSA-N	500.554	3.987	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN1CCCC1	4104615	HXZHIYBVCOUTOO-AHWVRZQESA-N	526.590	3.705	5	1	KHBF	
CNC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715697	FLMNWZVJMDRXAF-PQHLKRTFSA-N	588.753	3.891	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC	4055424	YCKLVPRPTJMLGV-QPFPPLLLSA-N	503.939	3.777	5	1	KHBF	
O=C(N[C@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104960997	VDDGUJGUVPYJIZ-NHCUHLMSSA-N	553.666	3.535	5	1	KHBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](n1cnc2c(Cl)nc(Cl)nc21)C(Cl)(Cl)Cl	1857584967	RDBAEKMKICLILB-LLVKDONJSA-N	532.559	3.841	5	1	KHBF	
CC[C@H](C)C[C@H](C)C=C(C=C(C)C=CC=CC=CC=CC=Cc1cc2c(c(=O)o1)[C@H](O)[C@H](O)[C@H]([C@@H](O)[C@H](O)CO)O2)C(=O)O	2356540663	GDSQFNQIWJCATH-FDCUEVFTSA-N	612.716	3.777	5	1	KHBF	
CC[C@H](C)C[C@H](C)/C=C(/C=C(C)/C=C/C=C/C=C/C=C/C=C/c1cc2c(c(=O)o1)[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@@H](O)CO)O2)C(=O)O	253770467	GDSQFNQIWJCATH-UINKLZOHSA-N	612.716	3.777	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](Oc2ccccc2[N+](=O)[O-])[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](O)[C@]1(C)O	49802090	JNLKAKSVQSMYFQ-WHNUMVQGSA-N	710.862	3.509	5	1	KHBF	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(s/c(=C/c3ccccc3)c2=O)=N1	98084467	TXCGUZTVMTZDJZ-WLGHQHAYSA-N	514.538	3.921	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(I)cc3[nH]2)c([N+](=O)[O-])c1	587267101	UAUAGMYRJDTBHI-UHFFFAOYSA-N	629.408	3.705	5	1	KHBF	
COc1ccc([C@@H]2c3cc(O)ccc3C[C@@H](C(N)=O)N2C(=O)[C@H](Cc2ccccc2)NC(C)=O)cc1COc1ccccc1[N+](=O)[O-]	962047265	TWHNWUIBEKSVJN-QGGQTPNESA-N	638.677	3.963	5	1	KHBF	
COc1ccc(CCNC(=O)[C@@]23CN(Cc4ccccc4)C[C@@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1	59938740	CANICMYTUWQJGA-LEAFIULHSA-N	500.555	3.567	5	3	KHBF	
CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4054832	JIAZDGFISOJGIB-JTHBVZDNSA-N	504.971	3.815	5	1	KHBF	
CCCCOC(=O)COC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104968386	XVGKQWDCKBKGLT-NRFANRHFSA-N	541.582	3.920	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCN3C(=O)c4ccccc4C3=O)c(C(C)=O)c2c1	587621216	RVISZJJWIBDGMU-UHFFFAOYSA-N	562.560	3.927	5	1	KHBF	
COc1cc([N+](=O)[O-])ccc1NC(=S)NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]12	1857595839	CNRWPIUUROMRHE-GCUZGZFTSA-N	549.392	3.710	5	1	KHBF	
Cc1c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C[C@@H](N)c2ccccc2F)c(=O)n1Cc1c(F)cccc1F	1857630970	XDYGIUBFRASJHJ-MUUNZHRXSA-N	608.621	3.714	5	1	KHBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cn(-c6cccc([N+](=O)[O-])c6)nn5)[nH]c4c3)cc2)CC1	587270636	XHKPARGSOHXRLT-UHFFFAOYSA-N	551.611	3.761	5	1	KHBF	
COc1cc([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)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	587313002	FPAOPNCGYRZXKE-LMXVMZLXSA-N	836.825	3.521	5	1	KHBF	
COc1ccc([C@H]2CC(=O)c3c(O)cc(OCC(=O)N4CC[N+](C)(Cc5ccc(OC)c(OC)c5OC)CC4)cc3O2)cc1O	43910694	ONRSCXSKGNKRBE-MUUNZHRXSA-O	623.679	3.707	5	1	KHBF	
CS(=O)(=O)c1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl	586926291	NAEJLFHWAMRLDC-UHFFFAOYSA-N	513.100	3.848	5	1	KHBF	
NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc3cc4ccccc4cc3c2=O)cc1	1857759149	JSZXDRLZCGZCFN-UHFFFAOYSA-N	606.598	3.734	5	1	KHBF	
C[C@@H](n1cnc2cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F	29557326	PTSHRJYYCMNCJE-PRAQEBQASA-N	602.602	3.650	5	1	KHBF	
Cn1c(N)c([C@H](c2ccc(C(F)(F)F)cc2)c2c(O)c3ccc4ccccc4c3oc2=O)c(=O)n(C)c1=O	103237013	UWQDPQMSKRCWHP-GOSISDBHSA-N	523.467	3.830	5	1	KHBF	
Cc1ccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1C	587266838	PLONQZOAQJZUTL-UHFFFAOYSA-N	531.566	3.717	5	1	KHBF	
O=C1NC(=O)C(c2ccc(Oc3ccc(Br)cc3)cc2)(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1	28522165	KTPFSPDDZUMWHL-UHFFFAOYSA-N	580.395	3.533	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	42921734	KFQWDABNYBDAML-OUWFVNTISA-O	633.722	3.877	5	1	KHBF	
O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nnn[nH]2)c1)c1cc(C(=O)N2COC[C@@H]2Cc2c[nH]c3ccccc23)cc([N+](=O)[O-])c1	84654814	QMZCRWROEIQWEB-LENAEUCASA-N	715.727	3.638	5	1	KHBF	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Nc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1[N+](=O)[O-]	1772635159	UJJAYFSIIJGOJH-GLJUWKHASA-N	536.586	3.871	5	1	KHBF	
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N1CCOCC1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	28472761	APESTHUDNBUUAQ-QKDODKLFSA-N	645.157	3.512	5	1	KHBF	
O=C(NCCCC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@H]1CCCCNC1=O)OCc1ccccc1	104963548	AYDPYKKCVNZZDQ-BJKOFHAPSA-N	622.704	3.698	5	1	KHBF	
CC[C@H](C)[C@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587204407	JJEVHUQZNNROAY-GDNUSQEOSA-N	594.600	3.632	5	1	KHBF	
CCN(CC)CCCNc1cc2c(=O)n(CCCN(CC)CC)c(=O)c3ccc4c(=O)n(CCCN(CC)CC)c(=O)c1c4c32	29041120	ALKSADNSLXTCLF-UHFFFAOYSA-N	620.839	3.673	5	1	KHBF	
Cc1nc(S(=O)(=O)Cc2ccccc2)nc(-c2ccc(O)cc2O)c1C(=O)Nc1cccc([N+](=O)[O-])c1	49777261	SGBCBBPNEGMTLI-UHFFFAOYSA-N	520.523	3.998	5	1	KHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3[N+](=O)[O-])CC2)c1	141382042	YWJIZHQFDCTPOW-UHFFFAOYSA-N	606.680	3.556	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@@H]1CCCO1	26471508	SWFDFDYYLHEXCU-YGXFEDNFSA-N	597.602	3.738	5	1	KHBF	
O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccc([N+](=O)[O-])cc1	28713075	YWIPTMFSINJUNZ-NDEPHWFRSA-N	581.555	3.566	5	1	KHBF	
Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC(OC(=O)CSC(=S)N2CCCCC2)CC1	84723120	UWTNWIXKBMLDBW-UHFFFAOYSA-N	531.751	3.629	5	1	KHBF	
COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(N[C@H]3CCCCNC3=O)c2cc1OC	105139221	HPPHXLKEVLKZNN-FQEVSTJZSA-N	579.658	3.812	5	1	KHBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	767344	RYOSHVBLNXFWNL-AOYPEHQESA-N	519.510	3.791	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC	4207182	SLDFNKLGSPXALQ-DVLROOGXSA-N	503.939	3.777	5	1	KHBF	
COc1cc2oc3c(S(=O)(=O)N4CCN(c5cccc(C)c5)CC4)c(OC)cc(OC)c3c(=O)c2cc1OC	49784571	XWJNCLRJWKWPRX-UHFFFAOYSA-N	554.621	3.800	5	1	KHBF	
CC(C)(C)OC(=O)NCC1CN(C(=O)CCc2ccc3c(=O)c4sc5c(=O)c6ccccc6c(=O)c5c4c(=O)c3c2)C1	1857575568	XDQIMIQPHQVEES-UHFFFAOYSA-N	584.650	3.593	5	1	KHBF	
COc1cc2oc3c(O)c4c(c(O)c3c(=O)c2cc1OC)-c1c(cc2c(c1O)C(=O)N1CCO[C@]1(C)C2)CC4	1857586564	LJDRYINDFFKSLQ-GDLZYMKVSA-N	531.517	3.591	5	1	KHBF	
O=C(O)c1c(=O)c2cc(F)c(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc2n2c1sc1ccccc12	101145241	MQKHAIZBGYNAGT-HSZRJFAPSA-N	559.575	3.993	5	1	KHBF	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	95606697	FOWAHESGBXYXTH-VZNYXHRGSA-N	753.552	3.564	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)O[C@](C)(C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C	169367003	VAFKBOOENPCZQS-SYDLGIBJSA-N	793.012	3.943	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@@H](CO)C(F)(F)[C@@H](O)[C@@H]1O	38363278	DWXJZYOAYLKQST-SVODBDPPSA-N	596.461	3.849	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1	4153636	ZBHYTLLDMBTCON-QBLOJZIGSA-N	549.580	3.822	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906889	FVLITXWQIQHAHI-VVPNFAOHSA-N	581.666	3.868	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2cc4ccccc4c4ccccc24)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587312300	MEKIMIQLPXVLEX-BGQHGEOJSA-N	622.626	3.944	5	1	KHBF	
COc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc2)nc(OC)n1	1772625760	ORXFRPFZAAVUFQ-UHFFFAOYSA-N	547.600	3.621	5	1	KHBF	
NCCC(=O)N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCCC2)CC1	28396781	DKDVQTMJVOKNKF-AREMUKBSSA-N	633.577	3.555	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cc1	586952576	IRQQQNKQZFDYHX-KHPPLWFESA-N	578.607	3.769	5	1	KHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1	587846000	CJMGTJDYNQEVMI-DAOPMYJZSA-N	553.406	3.616	5	1	KHBF	
COc1ccc(-c2c3c4cc(OC)c(OS(=O)(=O)O)cc4oc(=O)c3n3ccc4cc(OS(=O)(=O)O)c(OC)cc4c23)cc1OS(=O)(=O)O	95549770	ASQYLRXTVLCCPF-UHFFFAOYSA-N	739.667	3.590	5	1	KHBF	
CN1CCN(CCNCc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1	96938533	RVNQDCAJUPQSPE-UHFFFAOYSA-N	504.513	3.683	5	1	KHBF	
COc1ccc(CCC[N@@+]2(CCCc3ccc(C(=O)NCCCN(C)C)cc3)CCC[C@@H](NC(=O)c3nc(Cl)c(N)[nH]c3=N)C2)cc1	473134099	FKUMOKWBYVJMJZ-CGQQATSGSA-O	666.291	3.789	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cnn(C)c3)c2c1	587619512	IMSYZFXZQOUKKY-UHFFFAOYSA-N	523.449	3.869	5	1	KHBF	
CCOC(=O)C1=C(N)OC2=C([C@@H]1c1ccc([N+](=O)[O-])cc1)[C@]1(CCC2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963234626	QWSFFJOUSVJOOV-UKOGBCMFSA-N	556.575	3.923	5	1	KHBF	
O=C(CSc1cc(Cl)ccc1Cl)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3ccc([N+](=O)[O-])cc3)CS[C@H]12	29565054	LHWQJCZISIHDFM-WIYYLYMNSA-N	598.442	3.589	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccn(C)n3)c2c1	587619572	KRXMPJJMWGLVKG-UHFFFAOYSA-N	505.459	3.788	5	1	KHBF	
COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccc(OC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	28970965	VGSJBWYIEOPMMJ-POTDNYQPSA-N	577.546	3.957	5	1	KHBF	
CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCC1=CCCCC1	104959623	BDVMHLXZCBDXRN-LJQANCHMSA-N	531.660	3.650	5	1	KHBF	
CCOC(=O)C1=C(N)OC2=C([C@@H]1c1ccc([N+](=O)[O-])cc1)[C@@]1(CCC2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963234619	QWSFFJOUSVJOOV-NETJKIJISA-N	556.575	3.923	5	1	KHBF	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1	82135365	LMGDYDOBEMMAIC-UHFFFAOYSA-N	502.575	3.691	5	1	KHBF	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(s/c(=C/c3ccccc3)c2=O)=N1	98084466	TXCGUZTVMTZDJZ-NLZIUFDSSA-N	514.538	3.921	5	1	KHBF	
O=C(Nc1ccc2c(=O)c3sc4c(=O)c5ccc(NC(=O)C(F)(F)F)cc5c(=O)c4c3c(=O)c2c1)C(F)(F)F	208131760	GYFQELCYKMULQH-UHFFFAOYSA-N	566.391	3.679	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3NC=O)c(CC(=O)O)c2c1	587621011	LMLRNRUHPKMZAF-UHFFFAOYSA-N	524.511	3.748	5	1	KHBF	
O=C1Nc2ccc(OC(F)(F)F)cc2[C@@]12N[C@H](Cc1cnc[nH]1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(Cl)cc1	1857545882	PMUGNHQDVAPPNA-HDAAZOAOSA-N	507.856	3.753	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCN(CC)CC	4152072	HZVGGLWUCSKPMV-ZCYQVOJMSA-N	514.579	3.561	5	1	KHBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](Oc1ncnc(Nc3ccc(S(C)(=O)=O)cc3)c1[N+](=O)[O-])C2	103232127	MWXSWPJHOYXOHF-FVQHAEBGSA-N	519.580	3.841	5	1	KHBF	
O=c1c2ccccc2n2nnc3ccc(NCCCN4CCN(CCCNc5ccc6nnn7c8ccccc8c(=O)c5c67)CC4)c1c32	150361725	BESDYXOPYOAWRZ-UHFFFAOYSA-N	638.736	3.903	5	1	KHBF	
CS(=O)(=O)c1ccc(Nc2ncnc(OC3C[C@H]4CC[C@H](C3)N4C(=O)OCC3CC3)c2[N+](=O)[O-])c(F)c1	1772621296	XCVJFKBEJKZIRB-HUUCEWRRSA-N	535.554	3.592	5	1	KHBF	
Nc1nc(NCCNc2ncc(N3CCCC3=O)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]	1772651206	XYWDFYJFNZROOB-UHFFFAOYSA-N	503.350	3.987	5	1	KHBF	
O=C1C[C@@](C(=O)NCCN2CCOCC2)(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(CO)cc2)N1CC12CC3CC(CC(C3)C1)C2	38144242	KPPFIOMRTBGRGM-ZUJHABIJSA-N	616.759	3.963	5	1	KHBF	
CCCCOC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82081086	NKBPUNKMUMSZID-IBGZPJMESA-N	511.556	3.946	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169363444	QSDYWKIHXOZPDJ-MDIQRXMUSA-N	790.867	3.969	5	1	KHBF	
CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	586935410	IMHQVCVENDKUFS-SFHVURJKSA-N	530.031	3.767	5	1	KHBF	
CC(=O)OC[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	253683181	APBWYWHXIZTNSS-LLKHQOAXSA-N	669.643	3.910	5	1	KHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	587869139	CNKLSOZXAIMXHN-UHFFFAOYSA-N	539.492	3.622	5	1	KHBF	
COC(=O)C[C@]1(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])c2cccc(F)c2CCN1[C@@H]1CCSC1	962717130	UMBDXIFRZDQARP-OYLFLEFRSA-N	533.534	3.599	5	1	KHBF	
CO[C@]1(OC(=O)CCN)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	29546706	PGBVBOGPVHOEAW-YMUMJAELSA-N	510.550	3.986	5	1	KHBF	
O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4205095	OIPDTCANNZZZBG-GGAORHGYSA-N	500.939	3.671	5	1	KHBF	
COc1cc2c(cc1OCCNC(=O)c1cccc3c(=O)c4ccccc4[nH]c13)N=C[C@@H]1CCCN1C2=O	28376729	YCRYBYPWZUDIPN-KRWDZBQOSA-N	510.550	3.819	5	1	KHBF	
CC(=O)NCCNc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2cccc([N+](=O)[O-])c2)n1	82134796	WTQDUOKEAFQDEO-UHFFFAOYSA-N	502.453	3.549	5	1	KHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1	587847078	FQEXREBGFFFPTA-MYODQAERSA-N	553.406	3.616	5	1	KHBF	
C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cncc([N+](=O)[O-])c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586911092	KJOUVFXOZZTGSO-VMWMINAKSA-N	614.740	3.771	5	1	KHBF	
Cc1c(C=O)c2ccccn2c1[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	587284219	GIDZAKSOCINAML-AIPRJJQSSA-N	759.120	3.775	5	1	KHBF	
COC(=O)[C@@H]1C[C@]23C(=NC(c4ccc([N+](=O)[O-])cc4)=C(C(F)(F)F)[C@@H]2N(C)c2ccccc23)N1C(C)=O	38142317	STOSLYZGNWZDMV-NSXLHWASSA-N	514.460	3.831	5	1	KHBF	
CC(C)[C@H](NC(=O)C(C)(C)C)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	95612666	XLJKRLFANZKZDO-XPWXTILNSA-N	751.281	3.694	5	1	KHBF	
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)N2CCOCC2)c([N+](=O)[O-])c1	1772590275	BOOGWAMXFURMPS-DMDYGQEQSA-N	521.530	3.726	5	1	KHBF	
C[C@](O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	1857589742	LUQTZPYGFMOIAO-INIZCTEOSA-N	500.373	3.796	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@H](CO)Cc1ccccc1	4153638	ZBHYTLLDMBTCON-OOXLZHEQSA-N	549.580	3.822	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3c(Br)cnc(Cl)c3[nH]2)c([N+](=O)[O-])c1	587265488	FQZYXGMJCIOEHA-UHFFFAOYSA-N	617.841	3.911	5	1	KHBF	
CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4205692	PLJLCBNCFINTGS-FYYLOGMGSA-N	504.971	3.815	5	1	KHBF	
COc1ccc(C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)NCC(C)C)cc1OC	49784470	GGHVXVYDMPZKPU-FBZFJNBBSA-N	614.740	3.643	5	1	KHBF	
N=c1ccc2c(-c3ccc(C(=O)NCCNC(=O)COc4ccc(CCCn5ncc6c5nc(N)n5nc(-c7ccco7)nc65)cc4)cc3C(=O)O)c3ccc(N)c(S(=O)(=O)O)c3oc-2c1S(=O)(=O)O	169347625	HHKJUHAIZLHJQI-UHFFFAOYSA-N	991.978	3.645	5	1	KHBF	
COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOCCOCCOC(=O)CN)c(-c3cccc(F)c3)oc12	299853146	GMFHPQPBQAKMIW-UHFFFAOYSA-N	585.581	3.692	5	1	KHBF	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148796	APMJDAGIJYKAFK-NRFANRHFSA-N	502.575	3.724	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906458	DJWHMFQBPJKPFO-NJAHTZCASA-N	626.663	3.777	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccn(C)n3)c(C(=O)C(F)F)c2c1	587620198	RUBBJUGJDUGIRR-UHFFFAOYSA-N	505.459	3.734	5	1	KHBF	
COc1ccc([C@H]2c3cc(O)ccc3C[C@@H](C(N)=O)N2C(=O)[C@H](Cc2ccccc2)NC(C)=O)cc1COc1ccccc1[N+](=O)[O-]	962047263	TWHNWUIBEKSVJN-KIWNCAKMSA-N	638.677	3.963	5	1	KHBF	
COCCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cc([N+](=O)[O-])c2cccnc2c1O	263621233	XTNPQSRETUCLAG-LJQANCHMSA-N	504.587	3.817	5	1	KHBF	in-vitro
COc1ccc(OC)c(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)c1	587314985	NRKZEBWJEJPWBE-ZFBAVJMVSA-N	735.720	3.714	5	1	KHBF	
COC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CNC(=O)OC(C)(C)C	587621231	QULQJTXQTBNDMZ-UHFFFAOYSA-N	548.574	3.626	5	1	KHBF	
CCCCOc1ccc([N+](=O)[O-])cc1[C@H]1c2cc(O)ccc2C[C@@H](C(N)=O)N1C(=O)[C@H](Cc1ccccc1)NC(C)=O	961946030	AFYGQMROSAVOTA-HPUNYJORSA-N	574.634	3.555	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1	769497	AOSDHAHNAUUCFX-AZGAKELHSA-N	520.517	3.979	5	1	KHBF	
O=c1[nH]nc(O)c2cc3c(I)cc4c(c3c(-c3ccc5c(c3)OCO5)c12)OCO4	28113145	JCPXXWSPWGQXSN-UHFFFAOYSA-N	502.220	3.511	5	1	KHBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@H]1c1cc2cc([N+](=O)[O-])ccc2o1	963663415	AMVHNLSQJWISEN-WRALFONMSA-N	501.495	3.544	5	1	KHBF	
CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4055935	RJXCZAKPFKAFFM-XDYVYIEOSA-N	505.955	3.880	5	1	KHBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1	66251889	XCDQBYAEXPDCHZ-RLDRVVDPSA-N	607.593	3.966	5	1	KHBF	
CCn1cc(-c2nc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n[nH]2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	1911583162	BGAGSSKNRMLTEK-UHFFFAOYSA-N	591.629	3.948	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CF)[C@H](O)[C@H](O)[C@H]1O	28474404	LEHQLDQOIPATGT-NAERRPDVSA-N	578.471	3.552	5	1	KHBF	
O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O	103289380	RXDZEVYIYOCYMD-UHFFFAOYSA-N	565.007	3.954	5	1	KHBF	
Cc1cccc(C)c1N(CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)N(C)C	299868852	SMNONNAPTJQQQL-CONSDPRKSA-N	667.829	3.542	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3c2)cc1	587265034	BRNFLFCGLYWEQG-MCMMXHMISA-N	542.530	3.723	5	1	KHBF	
Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C)c1	586933133	YBVLVZLQUQZRAU-KRWDZBQOSA-N	574.664	3.640	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(SCc4ccccc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587316922	YCKZBMPPLAINRD-SEECOPSQSA-N	689.695	3.838	5	1	KHBF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@]1(C[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1[N+](=O)[O-]	961791572	YEWHWUYYFURQTA-UIZCIJRMSA-N	642.709	3.811	5	1	KHBF	
CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4)O[C@@H]1CO	169364101	QZADSWDHADURFQ-QBWDQBPMSA-N	570.429	3.948	5	1	KHBF	
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)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3)C(C)=C1C2(C)C	169367088	HNVIHDAFQZNWJG-MZXODVADSA-N	898.915	3.644	5	1	KHBF	
N=C(N)c1ccc(COc2ccc3cc(C[C@@H](NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)C(=O)O)ccc3c2)cc1	1772574681	LNQRAUNQOQHNJX-RUZDIDTESA-N	548.577	3.585	5	1	KHBF	
CC(=O)O[C@@H]1[C@@H]([n+]2ccc3c(C)c4[nH]c5ccc(O)cc5c4c(C)c3c2)O[C@@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O	43504490	AOYYJQCFKBFHRE-YELYMKMUSA-O	535.573	3.797	5	1	KHBF	
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc5oc6c(O)ccc(O)c6c(=O)c5c4O)cc(O)c3oc2c1	238771256	SWDVHXLKYHFUOZ-UHFFFAOYSA-N	532.413	3.821	5	1	KHBF	
CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCC1=CCCCC1	104959619	BDVMHLXZCBDXRN-IBGZPJMESA-N	531.660	3.650	5	1	KHBF	
NC(=O)c1cc(N2CCC(c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)CC2)ccc1[N+](=O)[O-]	587262895	HHSOTEFBLFKUFD-UHFFFAOYSA-N	607.610	3.877	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1	587267372	XPJNXEGYCOMQCU-UHFFFAOYSA-N	537.957	3.754	5	1	KHBF	
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12)N1CCc2c([nH]c3ccccc23)C1	2356874779	JFJYDXHMKODWMX-FVCGRTMGSA-N	535.604	3.987	5	1	KHBF	
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)OCc2ccccc2-c2ccccc2C1=O	95867104	BSGRBDBXPQQDII-PHVLTXCSSA-N	567.664	3.940	5	1	KHBF	
CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712109	UCVDWOQDVUUYOI-APHLTRPNSA-N	555.565	3.967	5	1	KHBF	
CCCCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621720	YJJXPRCWCDQTHI-NRFANRHFSA-N	572.640	3.983	5	1	KHBF	
COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(OC)c(c(c1OC)c24)c65)[C@H](C(C)=O)[C@@H]3C(C)=O	2356408407	DYLMNCRRGPXGBV-IYBDPMFKSA-N	544.512	3.700	5	1	KHBF	
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	26467203	WMOCCQUDGGUJRO-APHLTRPNSA-N	555.565	3.621	5	1	KHBF	
COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)O)cc1NC(=O)OC(C)(C)C	27555597	BDUICVRJXIHRFA-CQSZACIVSA-N	509.537	3.614	5	1	KHBF	
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-])cnc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586914959	ZZDLUCJPTYXUDJ-GTUQLSPCSA-N	614.740	3.771	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1	4206176	FNSVYDYOUJBIBM-JTHBVZDNSA-N	520.417	3.747	5	1	KHBF	
CC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@@H](C(N)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715685	YNUSNUOVFGZNLF-IAPPQJPRSA-N	559.667	3.658	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1	770809	IVMUUGRUHFFYMN-IPEONRORSA-N	533.537	3.534	5	1	KHBF	
O=[N+]([O-])c1ccc(-c2nnn(CC(I)=C(I)I)n2)cc1	27641716	OTPCOMAJPVMMID-UHFFFAOYSA-N	608.903	3.722	5	1	KHBF	
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)c2cccc([N+](=O)[O-])c2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	169370713	RTXSMQCFFXZLPU-SJBOGKINSA-N	898.915	3.644	5	1	KHBF	
O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2cc1F	586942747	HXFLKCHUZZOZRH-UHFFFAOYSA-N	522.150	3.656	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)c1ccccc1	4204477	DBRAKTHLURFTNL-HQCZVFHSSA-N	519.510	3.664	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(COC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253655067	JNHZHWAWXANEFT-OCLBEGICSA-N	762.813	3.536	5	1	KHBF	
C[C@@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)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	587297788	KECUGDDNWXHPRR-LMQCMXTLSA-N	673.627	3.512	5	1	KHBF	
CO[C@H]1[C@@H](CO)O[C@H](n2c3ccc(Br)cc3c3c4c(c5c6cc(Br)ccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](O)[C@H]1O	29481816	DEZGMCLFUSECBD-PMYZGKCUSA-N	673.314	3.806	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	95549534	LVBKKJXGQIWMRZ-OJAZTNHZSA-N	766.926	3.606	5	1	KHBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](Nc1ncnc(Nc3ccc(S(C)(=O)=O)cc3)c1[N+](=O)[O-])C2	103232138	IAPZCCMSLGUWJE-OSYLJGHBSA-N	518.596	3.874	5	1	KHBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@H](C(=O)O)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715754	LKPWIPQTSCWMKP-RRPNLBNLSA-N	576.650	3.841	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1	4044214	BDIHZZUPUYQMRZ-UPVQGACJSA-N	513.982	3.535	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@@H](CO)[C@@H](F)[C@H](O)[C@@H]1O	28473208	SWORYDJCKUWKPZ-JTSBRNRNSA-N	578.471	3.552	5	1	KHBF	
O=C(O)C(=O)[C@H]1Cc2ccc([N+](=O)[O-])cc2CN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1	13797806	CVMQTPIUJOGYIP-OAQYLSRUSA-N	500.916	3.685	5	1	KHBF	
Cc1cc(O)c2cnncc3c(O)cc(C)c4c(=O)oc5c(CO)c(O)c(C(=O)O)c(cnncc6c(C(=O)O)c(O)c(CO)c7oc(=O)c1c2oc67)c5oc34	95550140	DUEMNKHDXDFLDH-UHFFFAOYSA-N	768.600	3.909	5	1	KHBF	
CC(=O)N1CCN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	105162925	MXIRFBUZTNRJTP-UHFFFAOYSA-N	528.491	3.669	5	1	KHBF	
COc1ccc(NC(=O)Cn2cc(COc3cc(OC(C)=O)c4c(=O)c5ccc(OC)cc5oc4c3)nn2)c(OC)c1	1857555057	PMXYNJSUHNAZJK-UHFFFAOYSA-N	574.546	3.707	5	1	KHBF	
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1c1cccc([N+](=O)[O-])c1	26467210	WMOCCQUDGGUJRO-CYBWEPMMSA-N	555.565	3.621	5	1	KHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1	26577346	COEBIKUMGQIILJ-UHFFFAOYSA-N	561.108	3.893	5	1	KHBF	
CC/N=c1/cc2oc3cc(NCCC(=O)N[C@H](CCC(=O)OC)C(=O)OC)c4ccccc4c3nc-2cc1C	29059144	NUPVZEYJACVANV-WIGKOESQSA-N	532.597	3.728	5	1	KHBF	
COc1cc(O)c2c(=O)c3ccc(O)c(O[C@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@@H]4O)c3n(C)c2c1	86041842	VMABFFUJXPHEJX-WUFINQPMSA-N	531.517	3.870	5	1	KHBF	endogenous,in-man
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(C)CCCCCC2)cc1	95561407	OGASJMHZEUYYQJ-SANMLTNESA-O	525.670	3.827	5	1	KHBF	
CN(CCCN)CCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCCN(C)CCCCN)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56	150596640	HSFCNQMUYOFRBY-UHFFFAOYSA-N	660.819	3.695	5	1	KHBF	
COc1c(OC[C@@H](O)CN2CCOCC2)cc2oc3cc(OC[C@H](O)CN4CCOCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	206912052	BFTJLYXXCOEQDG-SXOMAYOGSA-N	696.838	3.822	5	1	KHBF	
COc1c(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	72116160	UOBJBXKTXSGVMT-AWEZNQCLSA-N	564.530	3.856	5	1	KHBF	
COc1cc2c(cc1OC)N(C(=O)OCc1cnc([N+](=O)[O-])n1C)[C@@H](O)[C@@H]1CC(c3ccc4ncccc4c3)=CN1C2=O	1857753783	YIJDQZCOENJVLY-HOFKKMOUSA-N	586.561	3.625	5	1	KHBF	
COc1ccc(C(=O)CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc([N+](=O)[O-])cc3)CC2)cc1	26402740	IMIIBGAGKMUQFI-UHFFFAOYSA-N	560.538	3.750	5	1	KHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=c1/scc(-c2cnn3ccc(Br)cc23)n1C	103299137	XGBTUBXCSIMWQZ-DYTRJAOYSA-N	508.379	3.670	5	1	KHBF	
CS(=O)(=O)c1ccc(Nc2ncnc(NC3C[C@H]4CC[C@H](C3)N4S(=O)(=O)c3ccc(F)cc3)c2[N+](=O)[O-])c(F)c1	1772637567	HDQIHYICYMWHOW-IAGOWNOFSA-N	594.622	3.606	5	1	KHBF	
CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)nn3C)nc2n(CCC)c1=O	29225118	DRTYPFFXHWFIAR-UHFFFAOYSA-N	600.636	3.775	5	1	KHBF	
CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@@H](C(N)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715737	UJPDEWMBLYXTHS-IAPPQJPRSA-N	589.693	3.632	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587265485	FOBXAPYDEQCNPD-LMKMVOKYSA-N	622.620	3.512	5	1	KHBF	
CCCCOC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82080977	NIYHGMZSZOKEEL-FQEVSTJZSA-N	511.556	3.946	5	1	KHBF	
O=C(N[C@@H](CSCc1ccccc1)C(=O)N1CCCNCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82084556	QERYMYUZMGXRGE-QFIPXVFZSA-N	525.656	3.572	5	1	KHBF	
COc1ccc2c(c1)c(=O)c1c(NCCCN(C)CCCN3C(=O)c4cccc5cccc(c45)C3=O)ccc3c(=O)n(CCN(C)C)c(=O)n2c31	150603368	YMPBREMMGNWCJH-UHFFFAOYSA-N	688.785	3.709	5	1	KHBF	
CC(C)CCOc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br	587273887	WPXGXHPGDYEGCT-OALUTQOASA-N	507.341	3.692	5	1	KHBF	
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c([N+](=O)[O-])c1	13496897	HSJWIEGDZRBPSM-VWNXMTODSA-N	527.625	3.775	5	3	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587297446	HCYVYLCLLWOYDF-GGRBKZDTSA-N	685.682	3.723	5	1	KHBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)([C@]2(O)CC[C@H](O)C2)[C@H](O)[C@@H]1OCc1ccccc1	2356698726	LINMIODUQUVLAC-SPQVRFAKSA-N	569.610	3.689	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@@H]2[C@H]([C@H]1O)n1c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6n2c5c31)C(=O)NC4=O	28762431	CVMBLBYULFRRNC-CCNUMVSGSA-N	552.370	3.913	5	1	KHBF	
Nc1ccccc1CNC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104967242	RJKVHULGZFIAKB-QHCPKHFHSA-N	531.594	3.932	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587265483	FOBXAPYDEQCNPD-CPJLOUKISA-N	622.620	3.512	5	1	KHBF	
CCN1CCN([C@H](c2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2)[C@@H](c2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2)N2CCN(CC)CC2)CC1	169303761	KMLFCYIFDZAXFV-HEVIKAOCSA-N	786.854	3.749	5	1	KHBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1	586920038	DTDJTBKSJXPNMF-UHFFFAOYSA-N	506.949	3.899	5	1	KHBF	
CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)CC(C)(C)C)C(=O)OCCCC	1772632337	FIIAFZXHJREAEM-VXKWHMMOSA-N	683.781	3.584	5	1	KHBF	
COC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2nc3cc(-c4cccs4)cc(-c4ccc([N+](=O)[O-])cc4)c3c(=O)n12	1857590135	WVSXMOPMPWDBBI-UHFFFAOYSA-N	602.610	3.771	5	1	KHBF	
O=C1[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@H](c2ccccc2)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	1857754946	JREVZBFUZBCAHI-WMPKNSHKSA-N	636.620	3.734	5	1	KHBF	
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cc2oc3cc(OCC(=O)N[C@@H](Cc4cnc[nH]4)C(=O)OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C	299855583	BMWSXIFWXNFPMR-VMPREFPWSA-N	828.876	3.683	5	1	KHBF	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1	653793647	HZKRIAYPKCGAPE-WNSKOXEYSA-N	520.502	3.951	5	1	KHBF	
CC(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)c(COc3cccc4c(C)cc(C)nc34)c2Cl)(C(=O)N2CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC2)CC1	95606976	CVEVWPJOKBLXPW-HKBQPEDESA-N	805.850	3.881	5	1	KHBF	
CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(Cn4nc(C)c([N+](=O)[O-])c4C)n3)c(=O)c3ccccc23)c(O)c1	587667508	MUGZDWGDMKVOSK-UHFFFAOYSA-N	556.583	3.728	5	1	KHBF	
CCCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1c1cccc([N+](=O)[O-])c1	169712103	BLCYLNBCMXXJIU-GPSDDGMOSA-N	555.565	3.969	5	1	KHBF	
NCCCN(CCCCN(Cc1ccccc1)Cc1ccccc1)C(=O)CCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	473135680	RPBBWPBIUHTEJY-QIKUIUABSA-N	619.763	3.546	5	1	KHBF	
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	587126656	LXJXERDKMLFPMX-YDPTYEFTSA-N	939.909	3.802	5	1	KHBF	
O=C1Nc2ccc([N+](=O)[O-])cc2[C@@]12N1CSC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@]21C(=O)Oc2ccccc21	1772610967	VNRDEQWNFVHARW-SUVBRTNGSA-N	530.518	3.680	5	1	KHBF	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H]([n+]2ccc3c(C)c4[nH]c5ccc(O)cc5c4c(C)c3c2)O[C@@H](C)[C@H]1OC(C)=O	28757976	AOYYJQCFKBFHRE-PKMDBTDFSA-O	535.573	3.797	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O	4152989	ZNAIEHHHKDKREO-PYNCHKJYSA-N	513.547	3.522	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Oc4ccc(Cl)cc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587287525	YFLKLWAMPHZCDM-HJSWHDQHSA-N	694.045	3.991	5	1	KHBF	
CCCc1c(O)ccc2c1O[C@](C)([C@H](C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)CC2=O	587473169	QQIBDQOBYJZTCG-WMDMVVLCSA-N	501.532	3.936	5	1	KHBF	
COc1c(C(N)=O)cc(-c2ccc3ncnc(Nc4cccc(C(=O)N5CCOCC5)c4)c3c2)cc1[N+](=O)[O-]	1857744104	DUQMMYHEVXJKBU-UHFFFAOYSA-N	528.525	3.529	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cnn(C)c3)c(C(=O)C(F)F)c2c1	587619251	DYSDPICSHNSMNN-UHFFFAOYSA-N	505.459	3.734	5	1	KHBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)([C@]2(O)CCC3(CCCC3)C2)[C@H](O)[C@@H]1O	2356349690	LTJRMRYOEHQHIY-KVCJLRIHSA-N	517.578	3.664	5	1	KHBF	
COC(=O)/C=C\c1ccc(C(=O)OCCOc2ccc(Nc3ccc([N+](=O)[O-])c4nc[nH]c(=O)c34)cc2)cc1	43544066	XKBLGNLNKKLWMM-PQMHYQBVSA-N	530.493	3.997	5	1	KHBF	
O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1	45284123	FFDHLEGSHFJYQA-UHFFFAOYSA-N	518.405	3.815	5	1	KHBF	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](Oc1ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c1[N+](=O)[O-])C2	103231419	CUVZAJHHFOUFRH-FICVDOATSA-N	537.570	3.980	5	1	KHBF	
CN(C)CCOCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104962075	PWJOFZPIGZRVPZ-HSZRJFAPSA-N	558.682	3.872	5	1	KHBF	
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](NC(C)=O)[C@H]3O)c21	138380836	MJCQORCESAPFCR-RXUAWQBZSA-N	577.586	3.722	5	1	KHBF	
CN(C)CCn1c(=O)c2ccc(NCCCN(C)CCCN3C(=O)c4cccc5cc([N+](=O)[O-])cc(c45)C3=O)c3c(=O)c4ccccc4n(c1=O)c23	150541306	WLGGNYHQVRFQBH-UHFFFAOYSA-N	703.756	3.609	5	1	KHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])N1	587747753	RRPNWLHOGFBUQD-YEJXKQKISA-N	504.316	3.796	5	1	KHBF	
CCCCCC[C@@H](C(=O)OC)[C@@H](OC(=O)CNC=O)c1cccc2nc3c(C(=O)OC)cccc3nc12	2356803910	XOMPSHSJZVOWKH-CLOONOSVSA-N	509.559	3.660	5	1	KHBF	
Cc1cccc([C@H](N)Cn2c(=O)c(N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c(C)n(Cc3c(F)cccc3F)c2=O)c1	1857646526	VIUYGUCEVAPVHE-GDLZYMKVSA-N	604.658	3.884	5	1	KHBF	
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1O)CCCN1C(=O)c2ccccc2[C@@H]1O	26249187	ONHXBBTWZOFQBW-SMCANUKXSA-N	552.760	3.774	5	1	KHBF	
CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	27561662	GKHZZRFAPCFEBL-GDLZYMKVSA-N	603.720	3.679	5	1	KHBF	
Nc1ncnc2c1ncn2CCOCP(=O)(OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1	29488638	AIVNGYGWQJGKGB-UHFFFAOYSA-N	543.433	3.826	5	1	KHBF	
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-])ccc2Oc2ccc(Cl)cc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587283423	BQBHFPMRQBNDIU-CUOCVEGISA-N	694.045	3.991	5	1	KHBF	
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12	2356845695	ADPMDMIGEWKQSZ-HPTBCNJBSA-N	523.593	3.761	5	1	KHBF	
O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	768710	SVCCLVLLBJUFIL-VVMVZBAXSA-N	523.929	3.789	5	1	KHBF	
CC[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)CC)NC(=O)OCc1ccccc1	26816431	FSOHMFCAJUTNFT-WIVXBSKCSA-N	719.770	3.955	5	1	KHBF	
CC(=O)N(Cc1ccccc1[N+](=O)[O-])C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1	27853350	FQKOMYRVAJEDBJ-HHHXNRCGSA-N	568.678	3.974	5	1	KHBF	
COc1cc2nc(N3CCC(CNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(N[C@H]3CCCCNC3=O)c2cc1OC	105136513	QBQCCMFJYGDLQY-QFIPXVFZSA-N	591.669	3.591	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4=O)[C@H](O)[C@@H]1O	43693216	IDJBSIHZPGRCAI-OPDCHYJZSA-N	584.412	3.588	5	1	KHBF	
O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085934	VLTPXLMCVVZCGL-FQEVSTJZSA-N	506.540	3.943	5	1	KHBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@H](C(=O)O)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715756	LKPWIPQTSCWMKP-SVBPBHIXSA-N	576.650	3.841	5	1	KHBF	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@H]2Nc1ncnc(Nc2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-]	1772645017	WMEUENUUIMKKBN-UWWQBHOKSA-N	518.596	3.732	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(c4ccccc4[N+](=O)[O-])CC3)O[C@](C)(C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]2C	95608689	UNHGVKGWFKTJPA-SYDLGIBJSA-N	793.012	3.943	5	1	KHBF	
CCOC(=O)[C@H]1CSC[C@@]12N[C@H](C(=O)Nc1ccc3[nH]c4ccccc4c(=O)c3c1)Cc1ccccc12	963014676	JNZOWWQDFDPUTN-QZMIQGIBSA-N	513.619	3.956	5	1	KHBF	
Cc1ccc2c(ccn2C[C@@H]2C/C=C\[C@H](c3ccc([N+](=O)[O-])cc3)[C@H](CC(=O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H](CC(N)=O)C(=O)NC2)c1	169359326	FWCDFTKTRAVEGX-ROYMRVASSA-N	700.793	3.604	5	1	KHBF	
COc1cc([N+](=O)[O-])ccc1NC(=S)NC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]12	1857595838	CNRWPIUUROMRHE-CXIOKZBNSA-N	549.392	3.710	5	1	KHBF	
COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	28970903	PAHVQHBDZMQWNM-VPBXCIAMSA-N	547.520	3.949	5	1	KHBF	
COc1ccc2c3c1O[C@@]1(C)C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc([N+](=O)[O-])cc5)[C@@H](C2)N(CC2CC2)CC[C@@]341	36221832	GRBDXJJTUGORBA-COFNRKPKSA-N	543.620	3.964	5	1	KHBF	
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C)O[C@H]1[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1	43504492	AOYYJQCFKBFHRE-ITTJTKORSA-O	535.573	3.797	5	1	KHBF	
Cn1c(N)c([C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c2c(O)c3cc(F)ccc3oc2=O)c(=O)n(C)c1=O	103237754	IFUKRZVCPZHRMI-QHCPKHFHSA-N	610.558	3.558	5	1	KHBF	
CCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2N2CCOCC2)cn1	587620441	CAPXPWSYTHRZSX-UHFFFAOYSA-N	526.575	3.606	5	1	KHBF	
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]1C[C@@H]2Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1[N+](=O)[O-]	1772633861	JOSPAOMJZOISPJ-IYOUNJFTSA-N	537.570	3.838	5	1	KHBF	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1	82148695	VPGWTNDGIMXEPB-UHFFFAOYSA-N	502.575	3.691	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587284668	ZFJYOYWVVXCGSN-ZWQRWEADSA-N	752.523	3.541	5	1	KHBF	
O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4055967	SVCCLVLLBJUFIL-MQVPCNEGSA-N	523.929	3.789	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@H]2OC3(CCN(c4ccccc4[N+](=O)[O-])CC3)O[C@](C)(C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O)[C@H](O[C@@H]1O[C@H](C)C[C@@H](N(C)C)[C@H]1O)[C@H]2C	169304175	UNHGVKGWFKTJPA-ATXDJKDUSA-N	793.012	3.943	5	1	KHBF	
CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@H](C(=O)NC)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715712	KJPZGJYUDUIYGW-LMSSTIIKSA-N	603.720	3.892	5	1	KHBF	
Cc1onc(-c2nc3cc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079233	IGBWAOSNGXHXMC-UHFFFAOYSA-N	624.039	3.931	5	1	KHBF	
CN(C)C(C)(C)COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82086096	OARHAYZDUXNYGE-OAQYLSRUSA-N	526.615	3.917	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4)[C@H](O)[C@H]1O	299818137	KZYFWRQNBSFZCG-NKOFBXIHSA-N	556.402	3.606	5	1	KHBF	
CCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	26480825	ILDJWJJEIUQQFH-APHLTRPNSA-N	555.565	3.969	5	1	KHBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](n2cnc3c(Cl)nc(Cl)nc32)OCc2ccccc21	66103229	UYKGSVJABNEMHQ-INIZCTEOSA-N	521.342	3.966	5	1	KHBF	
COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccc1OCn1cc([N+](=O)[O-])cn1	962713222	TZRBOTQMHHAVPO-PXNSSMCTSA-N	510.400	3.683	5	1	KHBF	
COc1ccc(F)cc1[C@@H](N)Cn1c(=O)c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(C)n(Cc2c(F)cccc2F)c1=O	1857749503	RXIYOMUDBBWCFB-NDEPHWFRSA-N	638.647	3.723	5	1	KHBF	
CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1	586937008	PRNRMDGUYZRBLV-GOSISDBHSA-N	530.031	3.767	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)c([N+](=O)[O-])cc1OC	4076350	MLZCFGWXDMBWAX-LNBJVWSJSA-N	534.569	3.620	5	1	KHBF	
CC[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)CC	195882093	FSOHMFCAJUTNFT-JQOLTRQRSA-N	719.770	3.955	5	1	KHBF	
COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc(O)c5c(=O)c6c(O)ccc(O)c6oc45)cc(O)c3oc2c1	238789739	UXGRLPDGNJIDMD-UHFFFAOYSA-N	532.413	3.821	5	1	KHBF	
COc1cc(OC)c2c(=O)c3cc([N+](=O)[O-])ccc3oc2c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1	261104171	HDFDSEUGQQZIIK-UHFFFAOYSA-N	543.529	3.522	5	1	KHBF	
O=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	587311334	CMRLNOIXMPHCIT-FKHDBAIDSA-N	650.636	3.756	5	1	KHBF	
O=c1nc(O)c(-n2cc(-c3cc4cccc5c6cccc7cccc(c(c3)c45)c76)nn2)cn1[C@H]1C[C@H](O)[C@@H](CO)O1	1857641015	YHTCJIAYGQMUTB-OYUWMTPXSA-N	545.555	3.888	5	1	KHBF	
CO[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4=O)O[C@@H]1CO	27655273	DJEHIHYFWKWDGG-VEKNWUCMSA-N	612.422	3.817	5	1	KHBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](n2cnc3c(I)nc(Cl)nc32)OCc2ccccc21	66076410	XKMWUXQZKBCWAX-INIZCTEOSA-N	612.793	3.917	5	1	KHBF	
CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587204405	JJEVHUQZNNROAY-DJMFZYRRSA-N	594.600	3.632	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCN(CC)CC	4152074	HZVGGLWUCSKPMV-NOZRDPDXSA-N	514.579	3.561	5	1	KHBF	
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C[C@@H]5CO5)CCC[C@]4(C)[C@H]2C[C@H]1C[C@@H]3C(=O)OC[C@@H](O)C[N+](C)(C)C[C@H]1CO1	299829019	HMYOJBGBUPGQEX-XYIBYJOWSA-N	690.963	3.576	5	1	KHBF	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1[N+](=O)[O-]	1772648654	JOSPAOMJZOISPJ-GLJUWKHASA-N	537.570	3.838	5	1	KHBF	
O=C(N[C@H](Cc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82080843	VNOPKHUDIIZJRR-JOCHJYFZSA-N	507.616	3.662	5	1	KHBF	
CC[C@@]1(O)c2cc3nc4c(c5nc(cc6[nH]c(cc([nH]2)[C@]1(C)O)c(C=O)c6C)[C@@H](C)[C@@H]5CCC(=O)OC)c(=O)oc(=O)c-4c3C	299809976	ATKVKVYJSDJQAS-GYBWFPFKSA-N	614.655	3.946	5	1	KHBF	
COC(=O)c1nnn(-c2c(-c3ccccc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1C(=O)OC	587621147	PUNYNVHNVUGMQP-UHFFFAOYSA-N	606.573	3.706	5	1	KHBF	
CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(F)cc2[N+](=O)[O-])c2cccc(Br)c2CCN1C	963269235	GRDKXRRBVAVXLZ-HSZRJFAPSA-N	523.355	3.970	5	1	KHBF	
CC(=O)OC[C@@H]1O[C@@H](n2cc(CNc3c4ccccc4nc4c3oc3ccccc34)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O	1772590246	COBYBYUWLSIGTG-CUXDRXKNSA-N	573.562	3.662	5	1	KHBF	
N=c1[nH]c(-c2ccccc2OCc2ccc(C(=O)NCCCN=c3ccc([N+](=O)[O-])c[nH]3)cc2)cs1	1857612587	GDSCAIULEBAZDP-UHFFFAOYSA-N	504.572	3.759	5	1	KHBF	
COC(=O)C(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621759	ZITVEWHQCCSWFI-UHFFFAOYSA-N	554.493	3.816	5	1	KHBF	
COc1cc2c3cc(OC)c(O)c4c(=O)c(OC)c5c(c6c(c(OC)c(=O)c(c1O)c26)[C@H](C(C)=O)[C@H]5C(C)=O)c43	238744484	LMLKHGZNEVLYPX-HZPDHXFCSA-N	544.512	3.700	5	1	KHBF	
CO[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4=O)O[C@@H]1CO	27655270	DJEHIHYFWKWDGG-MVSIFBKFSA-N	612.422	3.817	5	1	KHBF	
O=S(=O)(c1ccc2nc(O)cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1)N1CCOCC1	586962169	UZJBYCSYJAGLEL-UHFFFAOYSA-N	512.551	3.601	5	1	KHBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@H]1c1cc(Br)ccc1[N+](=O)[O-]	963688721	VBRVPHIAYFKTEA-ACIOBRDBSA-N	540.370	3.560	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253666833	QSDYWKIHXOZPDJ-CQXIRDDYSA-N	790.867	3.969	5	1	KHBF	
COC(=O)C1=C(N)OC2=C([C@@H]1c1cccc([N+](=O)[O-])c1)[C@@]1(CC(C)(C)C2)NCCc2nc3ccccn3c21	962983640	LVPFCCALHJDHDM-LYZGTLIUSA-N	515.570	3.815	5	1	KHBF	
O=C1[C@@H]2CCCN2[C@@H](CCC[C@H]2N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]3CCCN32)N1c1ccc([N+](=O)[O-])cc1	1857535254	ZOEBWCAOWHQDCT-CXSMSNRLSA-N	534.573	3.648	5	1	KHBF	
CC(=O)OC[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	253683172	APBWYWHXIZTNSS-KHAPBJSVSA-N	669.643	3.910	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)cc1	586952645	JTGVOZLLXPTGOX-VAWYXSNFSA-N	578.607	3.769	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1	587266867	PRYLAHHXGFWNIG-DMZKTXOQSA-N	542.530	3.723	5	1	KHBF	
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cncc([N+](=O)[O-])c2[nH]1)OCc1ccccc1	587221714	IYXQOBRAZJZNNV-IZZNHLLZSA-N	621.654	3.748	5	1	KHBF	
COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	769802	VFVPXAQDCATVHN-XCZPVHLTSA-N	562.579	3.857	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Oc4ccc(F)cc4F)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587291252	ONXHZRPQVYPEOT-HJSWHDQHSA-N	695.580	3.616	5	1	KHBF	
COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	767711	BXDIRNROJLDOFL-AOYPEHQESA-N	519.510	3.791	5	1	KHBF	
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1O)CCCN1C(=O)c2ccccc2[C@H]1O	26249206	ONHXBBTWZOFQBW-BVRKHOPBSA-N	552.760	3.774	5	1	KHBF	
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc([N+](=O)[O-])cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1	587177002	YXQWMPWPHBARCZ-TXEJJXNPSA-N	509.517	3.835	5	1	KHBF	
CCOC(=O)c1c(CN2CCCC2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621640	YONSPGUVQDOWEV-UHFFFAOYSA-N	502.549	3.658	5	1	KHBF	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(=O)n(Cc5ccccc5[N+](=O)[O-])nnc43)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	195524786	RQSLPIDCZACCJF-MSQIEAGJSA-N	706.712	3.590	5	1	KHBF	
CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCC(O)(c4ccc(Cl)cc4)CC3)nc21	28868171	DVIOWYACTDEPNQ-UHFFFAOYSA-N	500.939	3.899	5	1	KHBF	
O=C1CS(=O)(=O)[C@]2(C(=O)N(Cc3ccc(Br)cc3)c3ccc([N+](=O)[O-])cc32)N1c1ccc(F)c(F)c1	95564477	FOGKBXYRZSGHAZ-HSZRJFAPSA-N	578.347	3.797	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	42920176	FDVGQOSYDFYRIS-KBNJLGHVSA-O	589.669	3.566	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](N3CCN(c5ccc([N+](=O)[O-])cc5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	96938878	SQLJWHZCPGNNHU-ALMBTRMVSA-N	589.601	3.844	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@H]1CCCO1	26491914	YFLJEIPTOWNYBT-AFAFRAIRSA-N	611.629	3.780	5	1	KHBF	
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2cc3nc4ccccc4nc3cc2[nH]1	587230677	HOKDGZPMYSUQDD-UHFFFAOYSA-N	715.845	3.859	5	1	KHBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@]1(C(=O)NCC2(c3ccccn3)CCS(=O)(=O)CC2)CCc2[nH]c3ccccc3c2C1	26829671	ZBWXVZRLDRIDFW-HKBQPEDESA-N	616.700	3.783	5	1	KHBF	
Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cn(CCO)c4c(cc(O)c5ncccc54)c3=O)cc2)c1	103290675	KQPKICUWNNARCL-UHFFFAOYSA-N	558.616	3.918	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)c1ccccc1	4204482	DBRAKTHLURFTNL-OCDQVXHZSA-N	519.510	3.664	5	1	KHBF	
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(F)cc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587293730	ODXZEMJOCBZJKK-BIUVMLSKSA-N	693.658	3.836	5	1	KHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])N1	587744236	GNYWBDWADSGFBB-LRTDBIEQSA-N	504.316	3.796	5	1	KHBF	
Cc1ccc(C=O)cc1Oc1ncnc(Oc2cc([C@H]3c4[nH]cnc4C[C@H]4C(=O)N5CCC[C@H]5C(=O)N43)ccc2C)c1[N+](=O)[O-]	963212049	CPUQQJRAWANINC-MCEYFSPLSA-N	609.599	3.969	5	1	KHBF	
CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	82148199	GLQSSXHKXKFTAV-AUUXCDECSA-N	506.607	3.521	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)CC3CC3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	95549755	PSILHGIGLAVHQX-BEYZLAPNSA-N	792.964	3.997	5	1	KHBF	
COC(=O)[C@H]1C[C@@]23C(=NC(c4ccc([N+](=O)[O-])cc4)=C(C(F)(F)F)[C@H]2N(C)c2ccccc23)N1C(C)=O	169356346	STOSLYZGNWZDMV-JLGINSKQSA-N	514.460	3.831	5	1	KHBF	
COc1cc2c(Nc3cc(CC(=O)Nc4cccc([N+](=O)[O-])c4)[nH]n3)ncnc2cc1OCCCN1CCC(CO)CC1	34802992	PJXJTLKNCJRPQT-UHFFFAOYSA-N	590.641	3.668	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(C(F)(F)F)cnc3[nH]2)c([N+](=O)[O-])c1	587266370	LAXSKHVPUGPLOQ-UHFFFAOYSA-N	572.497	3.514	5	1	KHBF	
CCC[C@]1(O)Cc2cc3ccc4c(O)c5c(cc4c3c(O)c2C(=O)O1)[C@@](C)(O)c1cc(O)cc(O)c1C5=O	137011280	ZUJFIGHDWAPKMX-URLMMPGGSA-N	516.502	3.817	5	1	KHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1	587846447	DOSHWYPUYSRCBF-WLFWSYEOSA-N	553.406	3.882	5	1	KHBF	
COc1cc2c3c4c(cc(OC)c5c(=O)c6c(c(c7c(C[C@@H](C)O)c(O)c(=O)c1c37)c54)C[C@@H](C)O6)OCO2	2356284172	QSBYREFKKOWKSI-GHMZBOCLSA-N	516.502	3.594	5	1	KHBF	
O=C(O)c1ccc2c(c1)[C@@H](SCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1CO2	2001644	XBRIDFAVLXDLOQ-QFIPXVFZSA-N	500.554	3.987	5	1	KHBF	
COc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)O)cc1NC(=O)OC(C)(C)C	13863139	JJKWEWOYWUREPF-AWEZNQCLSA-N	509.537	3.614	5	1	KHBF	
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@H](c3ccccc3)N2[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)c([N+](=O)[O-])c1	1772632416	CFTNLCMFJKWUBB-GDKKVTFASA-N	549.540	3.750	5	1	KHBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H](n2cnc3nc(Cl)nc(Cl)c32)OCc2ccccc21	66078151	WJURSTFSYRVEPQ-INIZCTEOSA-N	521.342	3.966	5	1	KHBF	
Cc1cn([C@H]2C=C[C@@H](COC(=O)CCNc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)O2)c(=O)[nH]c1=O	72132832	LBTLSXYCUHUQMY-RBTNQOKQSA-N	625.590	3.626	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(COC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169355706	JNHZHWAWXANEFT-OOMZZHGPSA-N	762.813	3.536	5	1	KHBF	
CC1(C)OC[C@H]([C@H]2O[P@](=O)(c3ccccc3)[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@H]3OC(C)(C)O[C@H]32)O1	204397062	IHWLXVIGVQBSQG-KYGNLPSGSA-N	505.460	3.974	5	1	KHBF	
COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(N2CCOCC2)cc1	587620976	MORBUFJWGNZHOG-UHFFFAOYSA-N	594.602	3.740	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(C)=O)c(CN3C(=O)c4ccccc4C3=O)c2c1	587621028	NOAOYMGGTVMQLC-UHFFFAOYSA-N	562.560	3.813	5	1	KHBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC	768629	YCKLVPRPTJMLGV-FKVPHHQGSA-N	503.939	3.777	5	1	KHBF	
O=C(O)c1c(=O)c2cc([N+](=O)[O-])c(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)cc2n2c1sc1ccccc12	101445049	UHHQEHVLMHIKGJ-HSZRJFAPSA-N	586.582	3.762	5	1	KHBF	
CC[C@@H](C)C[C@@H](C)/C=C(/C=C(C)/C=C/C=C/C=C/C=C/C=C/c1cc2c(c(=O)o1)[C@H](O)[C@@H](O)[C@H]([C@@H](O)[C@@H](O)CO)O2)C(=O)O	169370533	GDSQFNQIWJCATH-FYEJWDLUSA-N	612.716	3.777	5	1	KHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1	587268367	TXLLCFISOMPWTN-UHFFFAOYSA-N	516.606	3.839	5	1	KHBF	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1	66251888	RDTRKHFIBJBHPW-OBBFJSJASA-N	607.593	3.966	5	1	KHBF	
COC(=O)CCCC(=O)Oc1ccc2c(c1)c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C	26270375	NJUGXIAKNFFTFF-UHFFFAOYSA-N	504.587	3.728	5	1	KHBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OCCO)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	27563045	PBRNXCWKTJNIAH-GTPRLXIXSA-N	620.703	3.919	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN1CCCC1	4104613	HXZHIYBVCOUTOO-RSXGOPAZSA-N	526.590	3.705	5	1	KHBF	
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)[N@@+]12CN1C(=N2)C(C(=O)O)=Cc2ccccc21	1857573411	WKVPPZCYTALCLU-MFXMHVNKSA-O	591.595	3.582	5	1	KHBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccncc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	82157673	QIFGLWSLSZQTRM-IZGUMNNXSA-N	544.589	3.752	5	1	KHBF	
CCOC(=O)/C(=C\N(C)C)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C	587621319	TWRNUUSNLRSHBS-LGMDPLHJSA-N	502.549	3.660	5	1	KHBF	
CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)=C(C)N1	13782495	GUAVMGVSYJRNOX-HHHXNRCGSA-N	531.657	3.875	5	1	KHBF	
COC(=O)[N+]12CCC(CC1)[C@@H](C(=O)NC[C@@]1(O)C[C@H]3CC[C@]1(CS(=O)(=O)N1CCC4(C=Cc5ccccc54)CC1)C3(C)C)C2	27330100	BFZIIEHECQVPQB-KSOGNYMZSA-O	626.840	3.673	5	1	KHBF	
O=C(O)c1ccc2c(c1)[C@@H](SCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1CO2	2001647	VHJZCBQWEGCVCF-QFIPXVFZSA-N	500.554	3.987	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NC[C@H](O)c1ccccc1	4204486	LDIZMHOCODJYCR-BBVXACFBSA-N	535.553	3.952	5	1	KHBF	
COC(=O)c1ccc([C@@H]2SCC(=O)N2c2ccc(N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)cn2)c(OC)c1	169335158	LIPPTJFBOBMXLK-MHZLTWQESA-N	563.636	3.886	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C(=O)CC[C@]4(NC(=O)/C=C\c5ccc([N+](=O)[O-])cc5)[C@H](C2)N(CC2CC2)CC[C@@]314	169692604	HIVXXDSZTCJSFW-NLTJVHKHSA-N	529.593	3.574	5	1	KHBF	
COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	253920752	QYUROEYAFJQVKH-HWNGMCCRSA-N	559.575	3.931	5	1	KHBF	
CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N[C@]1(C)C(=O)NCCCC(=O)O	95595943	YKTQCNRQDSRVTE-PWSGGEEBSA-N	511.619	3.964	5	1	KHBF	
Nc1ccc(-c2ccc3nc(CCOCCOCCOCCOCCNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1N	587267294	WSCIFUSVYOAVLF-UHFFFAOYSA-N	609.640	3.932	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Oc4ccccc4Cl)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587284524	IDCIEVYYHGAGIK-HJSWHDQHSA-N	694.045	3.991	5	1	KHBF	
COC(=O)C[C@]1(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])NCCc2cccc(-c3ccccc3)c21	962656417	AUFWTTIJAZFISJ-SANMLTNESA-N	505.483	3.909	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NC[C@H](O)c1ccccc1	771658	LDIZMHOCODJYCR-IDNYDCHQSA-N	535.553	3.952	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1	20781773	IVMUUGRUHFFYMN-KTERKQDUSA-N	533.537	3.534	5	1	KHBF	
Cc1cc2c(NCCCN3CCN(C(=O)c4cccnc4)CC3)nnc(-c3cccc([N+](=O)[O-])c3)c2n1C	49087627	YGZNLDYLIXFRKH-UHFFFAOYSA-N	514.590	3.507	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)cc1	586952463	HFVNXZBWZUMVGZ-CMDGGOBGSA-N	596.597	3.908	5	1	KHBF	
COC(=O)C1=C(N)OC2=C([C@H]1c1cccc([N+](=O)[O-])c1)[C@@]1(CC(C)(C)C2)NCCc2nc3ccccn3c21	962983651	LVPFCCALHJDHDM-RBTNQOKQSA-N	515.570	3.815	5	1	KHBF	
C[C@](O)(CS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857613361	SBYCBYTVFSACOU-INIZCTEOSA-N	516.372	3.676	5	1	KHBF	
CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	95603684	TWDOXCPTSBQPQN-KRWDZBQOSA-N	519.484	3.634	5	3	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1	4153751	JLGUHZXFVYHSGP-GVHPLLPZSA-N	568.583	3.940	5	1	KHBF	
COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCCN2CCCC2=O)cc1	4320526	HDOQVBKTGUZZDD-UHFFFAOYSA-N	524.530	3.685	5	1	KHBF	
CSCCNS(=O)(=O)c1ccc(NNC(=S)N2CCC[C@@H]2C(=O)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	27766006	WLCOKZLFXYCUEZ-XMMPIXPASA-N	628.802	3.808	5	1	KHBF	
CCCCN(CCCC)CCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104959795	FMUOXFUQSSHWMM-JOCHJYFZSA-N	578.761	3.662	5	1	KHBF	
C[C@H]1O[C@H](C)[C@H]2O[C@@]3(O)CC(=O)c4c(O)c5c6c7c8c9c(c(O)c1c2c9c3c47)C(=O)C[C@]8(O)O[C@H]6[C@@H](C)O[C@@H]5C	238743736	HNUPXDLGAHSVEQ-WCLINPNHSA-N	546.528	3.969	5	1	KHBF	
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-])ccc2Sc2ccccc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587315444	QVOJMRCZCGDUOC-LMWQPGMKSA-N	675.668	3.697	5	1	KHBF	
O=C(N[C@@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104961397	XJXAUONRGDAKTA-UXHICEINSA-N	553.666	3.535	5	1	KHBF	
COc1ccc(OC)c2c1c(OC)cc1c(=O)c(OCCOCCOC(=O)CN)c(-c3cccc(F)c3)oc12	299854505	ZZYJHNUULCMTJL-UHFFFAOYSA-N	541.528	3.675	5	1	KHBF	
COc1ccc(CCC[N@+]2(CCCc3ccc(C(=O)NCCCN(C)C)cc3)CCC[C@H](NC(=O)c3nc(Cl)c(N)[nH]c3=N)C2)cc1	473134102	FKUMOKWBYVJMJZ-QFYKQXJWSA-O	666.291	3.789	5	1	KHBF	
Cn1nccc1CS(=O)(=O)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	586923455	LWWUQICEIKXGLP-UHFFFAOYSA-N	544.545	3.693	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC	4153600	YHZSHMJPLJEUGU-XZYVKPMRSA-N	515.563	3.626	5	1	KHBF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@H]1c1cccn1-c1cc([N+](=O)[O-])ccc1Cl	962046427	QUTDZQPZDQNGRN-OWPQXHQJSA-N	602.047	3.820	5	1	KHBF	
COc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	963230137	LNJUNHZJRBGUSP-BKMJKUGQSA-N	549.561	3.916	5	1	KHBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](n1cnc2c(NC(=O)c3ccccc3)ncnc21)C(Cl)(Cl)Cl	1857585272	OBIGKUUPHATSNR-LJQANCHMSA-N	582.792	3.787	5	1	KHBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H](n3cnc4c(Cl)nc(Cl)nc43)OCc3ccccc32)cc1	66078736	ADWZQHLAYGEBHB-MRXNPFEDSA-N	521.342	3.966	5	1	KHBF	
CC[C@@H](COC)Nc1nc(NCCCNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12	82118823	JJNBOCPPQCDPGK-KRWDZBQOSA-N	526.594	3.933	5	1	KHBF	
C[N+](C)(CCCCCC[N@+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O	299828328	IZPDHAHWQOHFNJ-OEGJBANKSA-N	619.803	3.756	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4c5cccnc5c5ncccc5c4[nH]3)cccc12	586934297	FJTBZYTURFSPBO-HXUWFJFHSA-N	539.621	3.774	5	1	KHBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1	66252810	VXZUINOOUDXPAT-RZRVZGFNSA-N	589.603	3.826	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)CC1	104961907	IKVAMJWXCBTMGQ-QHCPKHFHSA-N	582.752	3.504	5	1	KHBF	
COC(=O)[C@@H]1C[C@@]23C(=NC(c4ccc([N+](=O)[O-])cc4)=C(C(F)(F)F)[C@H]2N(C)c2ccccc23)N1C(C)=O	148578234	STOSLYZGNWZDMV-VNZMSGEBSA-N	514.460	3.831	5	1	KHBF	
O=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	587311335	CMRLNOIXMPHCIT-KNMLIEANSA-N	650.636	3.756	5	1	KHBF	
COc1ccc(-c2csc(NC(=O)CCN3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)n2)cc1OC	1857590064	MFTAKTXCZKWNMU-UHFFFAOYSA-N	511.604	3.882	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)Oc3ccc(C[C@H](NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)C(=O)O)cc3)cccc12	70719036	HRDKXHAFHFCHKY-DEOSSOPVSA-N	599.643	3.556	5	1	KHBF	
CNS(=O)(=O)c1cc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)n(C)c1	586947555	SDEABEDEESPCLE-UHFFFAOYSA-N	544.545	3.759	5	1	KHBF	
CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	587203671	GTCWMNMGHXBICB-YEGXZQIXSA-N	590.637	3.801	5	1	KHBF	
Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21	963700290	DDIPIIHKPLPZMI-QYDYLWNGSA-N	570.577	3.640	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN1CCCC1=O	4153482	DCIITVUGPPIAAM-UPVQGACJSA-N	514.966	3.867	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5[N+](=O)[O-])[C@@H](C2)N(CC2CC2)CC[C@]314	40567044	NISWHUKGCNZDTA-JSZJOHKHSA-N	529.593	3.574	5	1	KHBF	
O=C1Nc2ccc(OC(F)(F)F)cc2[C@@]12N[C@H](Cc1cnc[nH]1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(Br)cc1	1857556231	RSCKDVTWJXUJDX-HDAAZOAOSA-N	552.307	3.862	5	1	KHBF	
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCCCCCNc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	87528400	OKONRXVXCMMCHC-UHFFFAOYSA-N	536.410	3.800	5	1	KHBF	in-vitro
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccccc1OCC	2717051	NNORRQXDTWRJPN-QCWLDUFUSA-N	512.522	3.607	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1	42988675	DOTRMAARWOGFII-SASFLCDJSA-O	561.659	3.543	5	1	KHBF	
CN(C)CCNc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(NCCN(C)C)c3c(=O)c4cc(O)ccc4[nH]c23)c2[nH]c3ccc(O)cc3c(=O)c12	95612438	KEFIXVVSOBOVIR-UHFFFAOYSA-N	791.954	3.906	5	1	KHBF	
CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)C(C)C)cc1	586940051	ZMKDIUVWIBHBCR-VWLOTQADSA-N	502.600	3.971	5	1	KHBF	
CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCCCC	26188274	POURTMZUHGGLAM-RPBOFIJWSA-N	719.770	3.958	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@@H](CO)[C@@H](F)[C@@H](O)[C@H]1O	38363243	SWORYDJCKUWKPZ-FJPFDNHHSA-N	578.471	3.552	5	1	KHBF	
CCC[N+](C)(CCC)Cn1c(=O)c2ccc3c(=O)n(C[N+](C)(CCC)CCC)c(=O)c4ccc(c1=O)c2c34	72109388	MZXLDXYAEMREHL-UHFFFAOYSA-N	522.690	3.514	5	1	KHBF	
CN(C)CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82084655	YRLFARMEWHRYOZ-NRFANRHFSA-N	514.629	3.855	5	1	KHBF	
O=C(O)c1cc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12	587272153	KZASYHLQSUNYQG-SVBPBHIXSA-N	596.508	3.786	5	1	KHBF	
CCn1ncc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2N2CCOCC2)c1C	587620479	CUJAIQWYYCIHIR-UHFFFAOYSA-N	540.602	3.914	5	1	KHBF	
CC(C)COc1cc(C(=O)N(CC(=O)O)CC(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)c1	299850961	DKKCHKCAUNBGNU-UHFFFAOYSA-N	545.545	3.528	5	1	KHBF	
Cc1c(O[C@@H](C)[C@@]2(C)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)ccc2c1oc(=O)c1ccccc12	587312643	BOUMWESKAHLHFA-BIVJLWFWSA-N	712.704	3.690	5	1	KHBF	
Cc1coc2c(C)c3oc(=O)c(CC(=O)N4C[C@@H]5C[C@H](C4)Cn4c5ccc([N+](=O)[O-])c4=O)c(C)c3cc12	2356822694	GRJOTLQOUVEDBO-SJORKVTESA-N	503.511	3.723	5	1	KHBF	
CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620848	IFBYIXCTWYWLLO-UHFFFAOYSA-N	578.559	3.858	5	1	KHBF	
O=[N+]([O-])c1ccc([C@H](N2CCOCC2)N2[C@@H](c3ccccc3)C[C@@H](O)N2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	1772587226	BWQOOSMCKQGJAF-LGPLSSKUSA-N	550.528	3.929	5	1	KHBF	
O=[N+]([O-])c1ccc(N2[C@H](O)C[C@@H](c3ccccc3)N2[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)c([N+](=O)[O-])c1	1772632415	CFTNLCMFJKWUBB-FDJWOJMMSA-N	549.540	3.750	5	1	KHBF	
CO[C@]1(OC(=O)CCN)C[C@@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	100804691	PGBVBOGPVHOEAW-ADUSHDQVSA-N	510.550	3.986	5	1	KHBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715693	QGTFDZFDVRWNAC-IZLXSDGUSA-N	590.677	3.929	5	1	KHBF	
CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1[C@@H]1N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21	963032541	WXEYOZNHJTVEHR-JYFHCDHNSA-N	610.618	3.794	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(COC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195259302	JNHZHWAWXANEFT-TUFXCYJQSA-N	762.813	3.536	5	1	KHBF	
CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1[N+](=O)[O-])(C(C(=O)OCC)C(=O)OCC)CC2=O	587465754	GNCGWAQWBOSOIZ-RUZDIDTESA-N	503.479	3.995	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(Sc4ccccc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587315446	QXRANSIGFPBFCB-BIUVMLSKSA-N	675.668	3.697	5	1	KHBF	
COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)[C@@H]1c1ccc(F)c(F)c1	14096230	JCWKQYAUPMXURC-SSOJOUAXSA-N	586.596	3.697	5	1	KHBF	
COc1ccc2c3c4c(c5c(ccc6ccn(C)c65)c3n(CCCN3CCC(C(N)=O)CC3)c2c1)C(=O)NC4=O	14945632	SMACSUZQJQSVHF-UHFFFAOYSA-N	537.620	3.919	5	1	KHBF	
CN(C)CCn1c(=O)c2ccc(NCCCCCCNc3ccc4c(=O)n(CCN(C)C)c(=O)n5c6ccccc6c(=O)c3c45)c3c(=O)c4ccccc4n(c1=O)c23	150592483	MHLQPKNUESJLCH-UHFFFAOYSA-N	782.902	3.652	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2ccc(-c4ccc([N+](=O)[O-])cc4Br)o2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587281667	FXNHDBRITJBSET-JQEKMVKZSA-N	712.458	3.568	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cn(C)nc3C)c(C(=O)c3cn(C)nc3C)c2c1	587620758	GNMNMTAOCHPFAZ-UHFFFAOYSA-N	563.596	3.867	5	1	KHBF	
CNC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715698	FLMNWZVJMDRXAF-MFMCTBQISA-N	588.753	3.891	5	1	KHBF	
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C(C)C)cc1	586933492	SUVFFDFFAUZTMN-QGZVFWFLSA-N	524.397	3.545	5	1	KHBF	
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-])ccc2Oc2ccc(Cl)cc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587283429	BQBHFPMRQBNDIU-HJSWHDQHSA-N	694.045	3.991	5	1	KHBF	
COc1cc2c3c4c(cc(OC)c5c(=O)c6c(c(c7c(C[C@H](C)O)c(O)c(=O)c1c37)c54)C[C@H](C)O6)OCO2	2356284174	QSBYREFKKOWKSI-QWRGUYRKSA-N	516.502	3.594	5	1	KHBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	4052262	RYOSHVBLNXFWNL-AZGAKELHSA-N	519.510	3.791	5	1	KHBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1c1cccc([N+](=O)[O-])c1	26477632	FFRCTJKRGGQBDU-CYBWEPMMSA-N	555.565	3.621	5	1	KHBF	
CN(C)C(C)(C)COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086180	IRHBASGBMVIWNS-HXUWFJFHSA-N	526.615	3.917	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)[C@H](O)[C@H]1O	1857584449	FDNDTODTDPFKCS-NKOFBXIHSA-N	556.402	3.606	5	1	KHBF	
CC(C=CC=CC=CC=CC=C(C)C(=O)N[C@H](C(=O)O)[C@H](O)C(N)=O)=CC(C)=C[C@H]1N=C(C=Cc2ccc[nH]2)O[C@H]1C	2356716559	QLGDZYNEUOCYJB-UMJMOSFWSA-N	574.678	3.693	5	1	KHBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC	4055422	YCKLVPRPTJMLGV-QBXAIUQQSA-N	503.939	3.777	5	1	KHBF	
CCC1=C(C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)C(=O)N1	27525873	UJAZDXIAIGDQSX-SANMLTNESA-N	607.664	3.805	5	1	KHBF	
COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4[N+](=O)[O-])[C@@H](C2)N(C)CC[C@]315	101142343	FMABZRUGTFUOAV-QVUVTZRVSA-N	545.636	3.877	5	1	KHBF	
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-c2cccc(Br)c2[N+](=O)[O-])cc1	587937493	SQYKOOWNRHURMK-CJVLOVQFSA-N	787.477	3.566	5	1	KHBF	
COc1ccc(CCC[N@@+]2(CCCc3ccc(C(=O)NCCCN(C)C)cc3)CCC[C@H](NC(=O)c3nc(Cl)c(N)[nH]c3=N)C2)cc1	473134100	FKUMOKWBYVJMJZ-GEDDPKOHSA-O	666.291	3.789	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN1CCCC1	4104612	HXZHIYBVCOUTOO-AOYPEHQESA-N	526.590	3.705	5	1	KHBF	
CC(C)[C@@H](NC(=O)Cn1c(-c2ccc([N+](=O)[O-])cc2)ncc(NC(=O)OCc2ccccc2)c1=O)C(=O)C(F)(F)F	26017633	ODLRISNJPYHISY-OAQYLSRUSA-N	575.500	3.839	5	1	KHBF	
CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3ccc(Br)cc3c3c4c(c5c6cc(Br)ccc6[nH]c5c32)C(=O)N(C)C4=O)O[C@@H]1CO	29481814	DEZGMCLFUSECBD-BFTNWSAZSA-N	673.314	3.806	5	1	KHBF	
COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NC[C@H](C)O)c2cc1OC	105119428	LIWIVBGINDVXLB-SFHVURJKSA-N	540.621	3.679	5	1	KHBF	
COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1	774080	FOFSRHMIEZQOIJ-GOSISDBHSA-N	517.494	3.988	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N@@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	253667043	KFQWDABNYBDAML-CQKZLPGDSA-O	633.722	3.877	5	1	KHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1	587846452	DOSHWYPUYSRCBF-XEPVPBEXSA-N	553.406	3.882	5	1	KHBF	
C[C@@](O)(CS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857613362	SBYCBYTVFSACOU-MRXNPFEDSA-N	516.372	3.676	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN1CCCC1	4104614	HXZHIYBVCOUTOO-AZGAKELHSA-N	526.590	3.705	5	1	KHBF	
COC(=O)c1cc(Br)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2c1	587263589	VRPJQANDYKIQSQ-UHFFFAOYSA-N	502.325	3.503	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4=O)[C@@H](OC(C)=O)[C@H]1O	43920222	DJEHIHYFWKWDGG-LNXVLVPNSA-N	612.422	3.817	5	1	KHBF	
CC(=O)NCSC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCC1=CCCCC1	104959339	FVVOFVILUQXWGF-FQEVSTJZSA-N	531.660	3.650	5	1	KHBF	
O=C(N[C@@H](CSCc1ccccc1)C(=O)N[C@H]1CCCCNC1=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104961001	VDDGUJGUVPYJIZ-SFTDATJTSA-N	553.666	3.535	5	1	KHBF	
CC1(C)OC[C@H]([C@H]2O[P@@](=O)(c3ccccc3)[C@@H](Oc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)[C@H]3OC(C)(C)O[C@H]32)O1	200969172	JDPPBAVDMURBSO-ZPNLHDGJSA-N	550.457	3.882	5	1	KHBF	
C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@H]3c3cn4cccc([N+](=O)[O-])c4n3)c(O)c2C(=O)O1	962937528	SJQALTLOXBEOJY-YQBXISBOSA-N	576.949	3.944	5	1	KHBF	
Cc1ccc([C@@]2(c3cccc([N+](=O)[O-])c3)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)nc1	963688732	VGAMPGJHWBCYOE-NCZODNFJSA-N	552.587	3.704	5	1	KHBF	
COc1c(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(=O)c4c(OC)cc5c(c6c(cc(OC)c(c1=O)c62)OCO5)c43	2356593862	ZNRVYKKPCFDVRR-STQMWFEESA-N	562.571	3.505	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@@H]1O	28471942	DWXJZYOAYLKQST-BHKIHXDASA-N	596.461	3.849	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@@H](CF)[C@@H](O)[C@@H](O)[C@@H]1O	38363217	LEHQLDQOIPATGT-IEKNASOFSA-N	578.471	3.552	5	1	KHBF	
CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1	42835794	CTFDKSWRIMHOOV-IIAQFCPMSA-O	588.729	3.894	5	1	KHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[N+](=O)[O-])c1ncn(Cc2ccccc2)c1[N+](=O)[O-]	587578379	WNVJFRVDGJCUQE-CPJSRVTESA-N	502.439	3.679	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C\c5ccc([N+](=O)[O-])cc5)[C@@H](C2)N(CC2CC2)CC[C@@]314	169692602	HIVXXDSZTCJSFW-YJOBSAGZSA-N	529.593	3.574	5	1	KHBF	
CC(C)(C)NC(=O)[C@H]1c2ccccc2CCN1c1cc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2C1CC1	40866662	DKHIDXJJTXQKRH-HSZRJFAPSA-N	504.543	3.961	5	1	KHBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccncc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	169725847	QIFGLWSLSZQTRM-JGJJQLHZSA-N	544.589	3.752	5	1	KHBF	
CC1(C)OC[C@H]([C@H]2O[P@@](=O)(c3ccccc3)[C@@H](Oc3ccc([N+](=O)[O-])cc3)[C@H]3OC(C)(C)O[C@H]32)O1	200969565	IHWLXVIGVQBSQG-MJKWUPLVSA-N	505.460	3.974	5	1	KHBF	
Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)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	587298833	SJHDSNLENOEHJW-SFQDHOTMSA-N	710.689	3.542	5	1	KHBF	
CC(C)CCn1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCCC(=N)N)n(CCC(C)C)c3)c([N+](=O)[O-])c2)cc1C(=O)NCCC(=N)N	27887602	RNBLHVYVORBVBG-UHFFFAOYSA-N	705.821	3.906	5	1	KHBF	
O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nnn[nH]2)c1)c1cc(C(=O)N2CCCCCCCC2)cc([N+](=O)[O-])c1	84654214	IARQBHUZJMQJBV-VMPREFPWSA-N	640.701	3.912	5	1	KHBF	
COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)CCC(=O)NCCCN(C)C	5842667	HLGXFCBEQMWVDC-UHFFFAOYSA-N	523.630	3.765	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)CC1	104961904	IKVAMJWXCBTMGQ-HSZRJFAPSA-N	582.752	3.504	5	1	KHBF	
CC[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)CC	299805019	FSOHMFCAJUTNFT-JMLJLYKJSA-N	719.770	3.955	5	1	KHBF	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	28971035	GNXFREBJHBUDDY-UCDDGIFISA-N	547.520	3.949	5	1	KHBF	
O=C(O)CCc1cc2c(-c3ccc(C(=O)O)cc3C(=O)O)c3cc(CCC(=O)O)c(=O)cc-3oc2cc1O	71789103	WPJWCCYXUYHUIE-UHFFFAOYSA-N	520.446	3.701	5	1	KHBF	in-vitro
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)cc1	586954334	ZHDPRIWJPMBDHL-CMDGGOBGSA-N	623.604	3.677	5	1	KHBF	
Cc1cccc([C@@H](N)Cn2c(=O)c(N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)c(C)n(Cc3c(F)cccc3F)c2=O)c1	1857646527	VIUYGUCEVAPVHE-LJAQVGFWSA-N	604.658	3.884	5	1	KHBF	
CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc([N+](=O)[O-])cnc5[nH]4)c3c2)cc1	586953955	UJQGWFDGMVEDOF-UHFFFAOYSA-N	506.500	3.986	5	1	KHBF	
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12)N1CCc2c([nH]c3ccccc23)C1	2356874780	JFJYDXHMKODWMX-IHMPRBIOSA-N	535.604	3.987	5	1	KHBF	
COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2cc(N)cc([N+](=O)[O-])c2)ccc1O	49757051	CNQITICOVLKEBJ-WZFJQBBKSA-N	646.561	3.718	5	1	KHBF	
O=C(NCCC[C@](NC(=O)OCc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(F)F)OCc1ccc([N+](=O)[O-])cc1	95555401	YHENFYACUSZRQO-JOCHJYFZSA-N	540.432	3.524	5	1	KHBF	
C[N+](C)(C)CCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5	100849357	BZGIEZVXZGYLPM-NFRMDYDPSA-O	500.663	3.821	5	1	KHBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(I)cnc(Cl)c2[nH]1	587266902	QDTARJVXSCDNSV-KSBSHMNSSA-N	518.655	3.566	5	1	KHBF	
COC(=O)[C@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@]1(OCCn1c([N+](=O)[O-])cnc1C)c1ccccc1	44086436	JUXQVALHKFYTBT-FREGXXQWSA-N	556.575	3.963	5	1	KHBF	
COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccncc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	82157677	QIFGLWSLSZQTRM-LNNYYZMHSA-N	544.589	3.752	5	1	KHBF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	586937902	HBINUUBZAGBUFU-ZDUSSCGKSA-N	559.560	3.618	5	1	KHBF	
NC(=O)c1cc(N2CCC(c3nc4c(Br)cnc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-]	587263623	XFQVBXSFIAULQY-UHFFFAOYSA-N	524.173	3.874	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4051301	KWAVUKXHOZLVPZ-OWSXEPHWSA-N	540.573	3.829	5	1	KHBF	
COc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Cl	587267407	YOVZNFZRHKSJMQ-UHFFFAOYSA-N	567.983	3.762	5	1	KHBF	
O=C1[C@@H](Oc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	1911574911	FDTPDWACDCRQOK-IZLXSDGUSA-N	624.658	3.732	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1	4044210	BDIHZZUPUYQMRZ-LADGPHEKSA-N	513.982	3.535	5	1	KHBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1	587267429	KLWGUKXJLAMEDB-GOSISDBHSA-N	502.579	3.585	5	1	KHBF	
O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(Br)cc2)C1=O	473152179	SKJJNSZIXFNENI-UNMCSNQZSA-N	635.880	3.590	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1	4055013	XLOPQLILRORGPT-GGAORHGYSA-N	520.417	3.747	5	1	KHBF	
O=C(CCN1CCCC[C@@H]1CO)Nc1ccc2cc3ccc(NC(=O)CCN4CCCC[C@@H]4CO)cc3nc2c1	26490058	CJDRVVUXCIZWRZ-KAYWLYCHSA-N	547.700	3.739	5	1	KHBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1	587268077	WMXXCSDCHCTEHF-LJQANCHMSA-N	516.606	3.628	5	1	KHBF	
COc1c(OC[C@@H](O)CN2CCOCC2)cc2oc3cc(OC[C@@H](O)CN4CCOCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	206912138	BFTJLYXXCOEQDG-SVBPBHIXSA-N	696.838	3.822	5	1	KHBF	
CCCCCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)N[C@H]1CCOC1=O	587620482	CWMBBFZEIUVKNI-IBGZPJMESA-N	544.586	3.664	5	1	KHBF	
C[C@@H]1COc2c(N3CCc4ccccc4[C@H]3C(=O)NC(C)(C)C)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23	253691505	RYBFFIKRPCLJHF-YJYMSZOUSA-N	538.532	3.719	5	1	KHBF	
CCS(=O)(=O)NCCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	586941941	FLNHUJQJTONARU-UHFFFAOYSA-N	521.551	3.717	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1	4206173	FNSVYDYOUJBIBM-GGAORHGYSA-N	520.417	3.747	5	1	KHBF	
CC(C)C[C@@H](/C=C/S(C)(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(I)c(O)c([N+](=O)[O-])c1	58639127	RSYTXXARKSZDKY-CGZPKHFZSA-N	722.643	3.599	5	1	KHBF	in-vitro
CC1(C)OC[C@H]([C@H]2O[P@](=O)(c3ccccc3)[C@@H](Oc3ccc([N+](=O)[O-])c([N+](=O)[O-])c3)[C@H]3OC(C)(C)O[C@H]32)O1	145955403	JDPPBAVDMURBSO-AHJGHJDGSA-N	550.457	3.882	5	1	KHBF	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1[C@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963227214	FSYHDSBCOKFQFW-IGKIAQTJSA-N	525.477	3.881	5	1	KHBF	
O=C(Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1[N+](=O)[O-]	28713073	VDJMLFCOCKKSFT-NDEPHWFRSA-N	581.555	3.566	5	1	KHBF	
COC(=O)[C@@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@]1(OCCn1c([N+](=O)[O-])cnc1C)c1ccccc1	44086441	JUXQVALHKFYTBT-PDDLMNHVSA-N	556.575	3.963	5	1	KHBF	
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@H]12)OCO3	103202457	JKEQUZNHJONSGQ-FNJQCAKCSA-N	620.567	3.542	5	1	KHBF	
Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21	963700299	DDIPIIHKPLPZMI-WAKHXKBOSA-N	570.577	3.640	5	1	KHBF	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@H](c2ccc([N+](=O)[O-])cc2)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	28970909	PAHVQHBDZMQWNM-OQQNJPJOSA-N	547.520	3.949	5	1	KHBF	
C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(C[N+](=O)[O-])c3ncn(Cc4ccccc4)c3[N+](=O)[O-])c(O)c2C(=O)O1	962968741	LTTWUZKMOZXUOJ-OBPNJKGGSA-N	676.038	3.972	5	1	KHBF	
Cc1cc2c(NCCCN3CCN(C(=O)c4ccncc4)CC3)nnc(-c3cccc([N+](=O)[O-])c3)c2n1C	49072623	BEHGGRUTOHFIEU-UHFFFAOYSA-N	514.590	3.507	5	1	KHBF	
CCOC(=O)[C@@H]1CSC[C@@]12N[C@H](C(=O)Nc1ccc3[nH]c4ccccc4c(=O)c3c1)Cc1ccccc12	963014670	JNZOWWQDFDPUTN-HTLVZCCDSA-N	513.619	3.956	5	1	KHBF	
COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(=O)c(OC)ccc12	27713095	VXEUSIMJXPSLTD-OPHFCASCSA-N	508.527	3.556	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@@H](CO)[C@@H](F)[C@H](O)[C@@H]1O	28473214	SWORYDJCKUWKPZ-GVQCKRDUSA-N	578.471	3.552	5	1	KHBF	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(o/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N1	103186585	HHRSEAIHRXHYAK-FCKOQQNDSA-N	514.925	3.967	5	1	KHBF	
CO[C@]1(C)OC2=C(O[C@@]1(C)OC)c1nc2nc2nc(nc3[nH]c([nH]c4nc(n1)-c1c(OCCO)ccc(OCCO)c1-4)c1c3O[C@@](C)(OC)[C@](C)(OC)O1)C1=C2O[C@@](C)(OC)[C@](C)(OC)O1	1772616968	QYOMZRNTAXOQRM-GIEDQAFWSA-N	922.902	3.385	5	1	KHBF	
O=C(Cn1cc(COc2cc(O)c3c(=O)c4ccc(Br)cc4oc3c2)nn1)Nc1ccc(O)cc1O	1857607306	QSKYFGYXJIPJNK-UHFFFAOYSA-N	553.325	3.635	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NCc3ccc([N+](=O)[O-])o3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	299824387	BEMGHBSHZMMEFL-AKEHSPCASA-N	538.509	3.708	5	1	KHBF	
Nc1c([C@@]2(c3ccc(Cl)cc3)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)oc2cc([N+](=O)[O-])ccc12	587284997	JSXRILIAOUDLTG-PULWVQDRSA-N	733.082	3.730	5	1	KHBF	
Cc1c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(=O)n(C[C@H](N)c2ccccc2OCC(=O)O)c(=O)n1Cc1c(F)cccc1C(F)(F)F	1857609922	FCQRPNDOVQWCRQ-NDEPHWFRSA-N	714.673	3.918	5	1	KHBF	
CC(C)[C@@H](NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(=O)N1CCOCC1	44358801	BPGPVRSCACKHFO-HHHXNRCGSA-N	565.630	3.654	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2cc4ccccc4c4ccccc24)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587312301	MEKIMIQLPXVLEX-NVGCTPTOSA-N	622.626	3.944	5	1	KHBF	
COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	769796	BCTKINJQCBTBMS-LBNVMWSVSA-N	562.579	3.857	5	1	KHBF	
COc1ccc(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)O)cc1NC(=O)OC(C)(C)C	26295210	JJKWEWOYWUREPF-CQSZACIVSA-N	509.537	3.614	5	1	KHBF	
C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620471	CMBDWLJGJXTUDE-ILSGVABSSA-N	526.571	3.876	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1N	771629	KYWBBWOXVZNIDJ-ZCYQVOJMSA-N	504.499	3.713	5	1	KHBF	
COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	4045958	VFVPXAQDCATVHN-IAPPQJPRSA-N	562.579	3.857	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCN(CC)CC	4152076	HZVGGLWUCSKPMV-ILBGXUMGSA-N	514.579	3.561	5	1	KHBF	
CS(=O)(=O)N1CC2(CCN(C(=O)[C@H](COCc3ccccc3)NCc3cccc([N+](=O)[O-])c3)CC2)c2ccccc21	29546120	TYPXYFPMCYFYRE-MHZLTWQESA-N	578.691	3.610	5	1	KHBF	
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)O)[nH]3	140601204	ZARYZUPFPJSRQD-DIGSGZMHSA-N	586.645	3.633	5	1	KHBF	
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1[N+](=O)[O-]	26939100	KBBXXVKUKBWTIG-BDYUSTAISA-N	559.692	3.820	5	1	KHBF	
COC(=O)C(C(=O)OC)(C(=O)c1cc(F)cc(F)c1)c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2cccc([N+](=O)[O-])c12	587645669	HGSWMKAHYAGIDU-UHFFFAOYSA-N	586.525	3.892	5	1	KHBF	
O=C(O)c1ccc(NS(=O)(=O)c2ccc(NNC(=S)NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)cc1	27748994	RGFJSJMNIKMQHW-UHFFFAOYSA-N	554.610	3.609	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cccc(Br)c3[nH]2)c([N+](=O)[O-])c1	587265487	FPZJMHAJEIEAPM-UHFFFAOYSA-N	582.408	3.863	5	1	KHBF	
CCOC(=O)C1CCN(C(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)CC1	587620887	JCZYSPHZWKPGPI-UHFFFAOYSA-N	544.586	3.609	5	1	KHBF	
CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4208029	WZEJCSZDFURDGY-QJWYHGAWSA-N	505.955	3.880	5	1	KHBF	
O=c1nc(O)cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1	653804945	YJYIQAKHAHHGDA-UHFFFAOYSA-N	614.640	3.548	5	1	KHBF	
O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1nc(=Nc2ccccc2[N+](=O)[O-])[nH]c(=Nc2ccccc2[N+](=O)[O-])[nH]1	1857575382	TUMDSQKEAHXHHY-NRFANRHFSA-N	575.523	3.706	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1	4206178	FNSVYDYOUJBIBM-FYYLOGMGSA-N	520.417	3.747	5	1	KHBF	
CC[C@H](COC)Nc1nc(N2CCN(CCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	105128207	SRDHYWAIROGFRM-HSZRJFAPSA-N	609.728	3.653	5	1	KHBF	
CC[C@@]1(O)c2cc3nc4c(c5nc(cc6[nH]c(cc([nH]2)[C@@]1(C)O)c(C=O)c6C)[C@@H](C)[C@@H]5CCC(=O)OC)c(=O)oc(=O)c-4c3C	195283594	ATKVKVYJSDJQAS-KNCMCFJGSA-N	614.655	3.946	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CF)[C@@H](O)[C@H](O)[C@H]1O	28474410	LEHQLDQOIPATGT-BLIHKQMBSA-N	578.471	3.552	5	1	KHBF	
COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	4052350	YUAACLCTYUAECG-AHWVRZQESA-N	519.510	3.791	5	1	KHBF	
COc1cc2c(=O)c3c(c(=O)c2c2oc4c(=O)c5c(O)c6c(c(O)c5c(=O)c4c12)[C@H](C)O[C@H](C)C6)[C@H](C)O[C@H](C)C3	238732344	KZAPENNZKGMMEB-WYUUTHIRSA-N	558.539	3.673	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@@H]1CCCO1	26477743	OSQXDLXGECZIEZ-UJBHUPQMSA-N	597.602	3.738	5	1	KHBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cncc([N+](=O)[O-])c2[nH]1)OCc1ccccc1	587221716	IYXQOBRAZJZNNV-UIOOFZCWSA-N	621.654	3.748	5	1	KHBF	
CCOC(=O)C1=C(CCn2ccnc2)N=C(CCn2ccnc2)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	81135266	CQBXOXSEJDUBOV-ZEQRLZLVSA-N	534.573	3.703	5	1	KHBF	
O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)NC/C=C/c1cn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O	95589305	OYDUNSQXMNVYBT-ZHYHHUQWSA-N	793.552	3.578	5	1	KHBF	
CCOC(=O)C1=C(C)NC(CN(C)CC(C)(C)NC[C@@H](O)COc2ccccc2OC)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	257811376	FCIFTJJAUMNBNF-RNAHPLFWSA-N	654.761	3.684	5	1	KHBF	investigational
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(C5CCN(c6ccc([N+](=O)[O-])c(C(N)=O)c6)CC5)[nH]c4c3)cc2)CC1	587263367	SCLRWSMKHBIDTP-UHFFFAOYSA-N	596.692	3.954	5	1	KHBF	
CC(C)[C@H](N)C(=O)Nc1cnc(NCCNc2ccc([N+](=O)[O-])c(N)n2)nc1-c1ccc(Cl)cc1Cl	1772596697	HDUINYWCMYKXPM-SFHVURJKSA-N	534.408	3.782	5	1	KHBF	
O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCN(c2cccc3ncc([N+](=O)[O-])n23)CC1	29055868	IQPDNNPAWCSXOC-UHFFFAOYSA-N	527.990	3.562	5	1	KHBF	
CN(Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	35923337	JWFOFCCKZYDYNP-AREMUKBSSA-N	522.512	3.737	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc3nc(C4CCN(c5ccc([N+](=O)[O-])c(C(N)=O)c5)CC4)[nH]c3c2)cc1	587263645	XZODHKXJKRUPIS-UHFFFAOYSA-N	550.597	3.763	5	1	KHBF	
COC(=O)c1c(CCNC(=O)OC(C)(C)C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621287	RWZLLYDAJJQNOJ-UHFFFAOYSA-N	548.574	3.739	5	1	KHBF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2C12CCN(c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])CC2	961953531	SULRLNIKLKJXOE-IGKIAQTJSA-N	684.628	3.709	5	1	KHBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](n1cnc2c(Cl)nc(Cl)nc21)C(Cl)(Cl)Cl	1857584968	RDBAEKMKICLILB-NSHDSACASA-N	532.559	3.841	5	1	KHBF	
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	26492510	PEYKQVVXKMVFFG-XTRDBKMLSA-N	541.538	3.578	5	1	KHBF	
Cn1c(N)c([C@@H](c2ccc(C(F)(F)F)cc2)c2c(O)c3ccc4ccccc4c3oc2=O)c(=O)n(C)c1=O	103237011	UWQDPQMSKRCWHP-SFHVURJKSA-N	523.467	3.830	5	1	KHBF	
CC(C)C[C@@H](NS(=O)(=O)c1ccc(N)cc1)c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1	1772621926	FUULHDPICIEDBJ-HSZRJFAPSA-N	507.572	3.942	5	1	KHBF	
O=C(O)[C@@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	26977652	SWBDFMZTUOWZHG-VWLOTQADSA-N	541.520	3.918	5	1	KHBF	
O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12	587273399	SPDGHWRBBFYWII-PMACEKPBSA-N	547.421	3.914	5	1	KHBF	
CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN1CCCC1=O	4214348	ZYMBNNVYHUEBBN-DNQXCXABSA-N	504.584	3.755	5	1	KHBF	
Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)NCCCc1ccccc1	27989392	HDPKYJACSNOZKO-DFHRPNOPSA-N	532.641	3.914	5	1	KHBF	
O=C(O)CN(CCCc1ccccc1)S(=O)(=O)c1ccc(NNC(=S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1	27847074	DRBUUHDGTWTDTL-UHFFFAOYSA-N	610.718	3.818	5	1	KHBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	4075615	UJQDVMSOBGEYFR-AOYPEHQESA-N	519.558	3.668	5	1	KHBF	
COc1cc2nc(N3CCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCn3ccnc3)c2cc1OC	105116353	CBOWEPBEEGXUJO-UHFFFAOYSA-N	560.615	3.525	5	1	KHBF	
CO[C@H](CN(c1ccccc1CO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)n1cnc2c(Cl)nc(Cl)nc21	66079853	XTQGDCJCUQVNJQ-QGZVFWFLSA-N	553.384	3.574	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1	769495	AOSDHAHNAUUCFX-AHWVRZQESA-N	520.517	3.979	5	1	KHBF	
CC(C)(C)NC(=O)[C@H]1c2ccccc2CCN1c1nc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2C(C)(C)C	28868354	HWNJLOYBNBZRCK-HXUWFJFHSA-N	521.574	3.776	5	1	KHBF	
COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC	105122473	BXYXKHKQLNURDS-JOCHJYFZSA-N	579.658	3.577	5	1	KHBF	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@H]2Nc1ncnc(Nc2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-]	1772645016	WMEUENUUIMKKBN-HFTRVMKXSA-N	518.596	3.732	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1OC[C@@H](CO)C1(c2ccc(O)cc2)CCCC1	2356365544	NSKWFBVNXBJYAR-VMOZUFDISA-N	657.716	3.524	5	1	KHBF	
CN(C(=O)[C@H](Cc1ccc([C@H](N)NN)cc1)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1)C1CCCC1	25996373	VHEBKCZPCCYFHX-URLMMPGGSA-N	545.709	3.704	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cccc12	586934583	HMOODAREAKJGHM-KRWDZBQOSA-N	559.052	3.627	5	1	KHBF	
N=C1NC(N2CCOCC2)=N[C@@H](c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Cl)cc2Cl)N1	1857602016	HZDMHYAMBGFIEK-FQEVSTJZSA-N	515.361	3.569	5	1	KHBF	
CN(C)CCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cc([N+](=O)[O-])c2cccnc2c1O	1857770290	FOIPLWZZGBWJPX-FQEVSTJZSA-N	517.630	3.732	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@@H](CO)[C@@H](F)[C@@H](O)[C@@H]1O	38363246	SWORYDJCKUWKPZ-UQIHUENRSA-N	578.471	3.552	5	1	KHBF	
COc1cc2nc(N3CC[C@@H](NC(=O)CCCc4ccc([N+](=O)[O-])cc4)C3)nc(NCCCN3CCCC3=O)c2cc1OC	105132600	KEXXUBKDVWMBDB-JOCHJYFZSA-N	605.696	3.697	5	1	KHBF	
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]1O)cc3C	255230107	LXLDOKHNFJEFAC-KUOIDRROSA-N	700.789	3.582	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906142	BWNPGHQRDSVGGF-QZJMVJFGSA-N	581.666	3.868	5	1	KHBF	
O=C1C[C@@H](c2ccccc2Br)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)c(CO)c2)N1Cc1cccnc1	13521569	SSSXDIKTCGARGT-IEXUWNMDSA-N	512.360	3.945	5	1	KHBF	
CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1nn(CCCNc3ccc([N+](=O)[O-])c4nonc34)c3ccccc13)C2	103224217	TXJVVQVHDLOBCQ-NNZMDNLPSA-N	518.578	3.728	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C[C@H](N)C(=O)O)c2c1	587620857	HSYFUYOMWRYKFF-SFHVURJKSA-N	510.528	3.507	5	1	KHBF	
CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OCCCCc2ccccc2)[C@H]1c1ncc([N+](=O)[O-])n1C	40379755	ZVGRWRPIRKEEMR-DEOSSOPVSA-N	509.607	3.998	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)CC1	163562915	NTTHAMLXEQDNBG-SANMLTNESA-N	651.790	3.667	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253674062	DNTPWIYELJHBBB-IUALDDGVSA-N	776.840	3.578	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCCC1=O	4153479	DCIITVUGPPIAAM-ISKFKSNPSA-N	514.966	3.867	5	1	KHBF	
O=C(Cc1cc(Br)cc(Br)c1OC(=O)CCN1C(=O)CCC1=O)Nc1ccccc1[N+](=O)[O-]	299860405	JGDCTTBORVVAHJ-UHFFFAOYSA-N	583.189	3.746	5	1	KHBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1	587266379	LCMMZFIFPBSHOV-VKGTZQKMSA-N	602.652	3.956	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@@H](C(O)O)C3(c4ccc(O)cc4)CCCCC3)O[C@@H]12	2356354899	AHPSWTKEGFNRFL-GMRAIZCTSA-N	713.780	3.765	5	1	KHBF	
O=C(c1cnccn1)N1CCN(CCCNc2nnc(-c3cccc([N+](=O)[O-])c3)c3c2cc2ccccn23)CC1	49781289	SVEKBOWUZRSCKC-UHFFFAOYSA-N	537.584	3.508	5	1	KHBF	
COc1ccc2oc3cc(OCc4cn(CC(=O)Nc5ccc(OC)c(OC)c5)nn4)cc(OC(C)=O)c3c(=O)c2c1	1857556524	HXIYWSUMGVKBCL-UHFFFAOYSA-N	574.546	3.707	5	1	KHBF	
CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccccn1	587621079	OKXQCTNDMFDIPQ-UHFFFAOYSA-N	524.511	3.688	5	1	KHBF	
NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(c3ccc(Cl)c([N+](=O)[O-])c3)=NO2)cc1	13489929	SMOQZPYLCXSLGB-HXUWFJFHSA-N	500.920	3.694	5	1	KHBF	
CN1CCC[C@@H]1COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086186	RPVTYWXVUATGBV-TZIWHRDSSA-N	524.599	3.671	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@H](NC(=O)OC(C)(C)C)C(=O)O)c2c1	587621315	SYGPKDWZNWLALK-HXUWFJFHSA-N	534.547	3.844	5	1	KHBF	
COc1c(N2CCN(CC(=O)Nc3nc4c([N+](=O)[O-])cccc4s3)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	1911572461	OIASIEKXOHSITA-CQSZACIVSA-N	610.624	3.849	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Cl)c(F)cc3[nH]2)c([N+](=O)[O-])c1	587266057	IXAFRCGBXXCXQI-UHFFFAOYSA-N	555.947	3.893	5	1	KHBF	
COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	28971040	GNXFREBJHBUDDY-OJJQZRKESA-N	547.520	3.949	5	1	KHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2cc(OC)c([N+](=O)[O-])cc2OC)nc2sc(C)cn12	29131923	HRTOQMRBWJRLIH-UHFFFAOYSA-N	542.570	3.877	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C[C@@H](O[P@@](=O)(NCCN)Oc4ccc([N+](=O)[O-])cc4)C=C[C@@]31CCN(C)C2	49695089	IWOJDONSKKRNGD-DVGRNYFXSA-N	530.518	3.518	5	1	KHBF	
CC(C)C[C@@H](/C=C\S(C)(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(I)c(O)c([N+](=O)[O-])c1	98209138	RSYTXXARKSZDKY-UOXIZKAOSA-N	722.643	3.599	5	1	KHBF	in-vitro
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[C@@H](N2CCN(c3ccccc3OC(C)C)CC2)CC1	101127705	FFXLCCZAXLBJFW-MEMLXQNLSA-N	532.663	3.802	5	1	KHBF	
CCOc1ccc(-c2nn(C(=O)CCn3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)cc1OCC	587669343	JXDLTSNKDARSCK-UHFFFAOYSA-N	507.503	3.705	5	1	KHBF	
O=C(N[C@@H](CSCc1ccccc1)C(=O)N1CCCNCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1	82084622	IVNYEWQHRBFUPK-NRFANRHFSA-N	525.656	3.572	5	1	KHBF	
CCN(CC)CCN1C(=O)c2c(c3c4ccccc4n4c3c3c2c2ccccc2n3[C@H]2[C@@H](O)[C@H](OC)[C@@H](CO)O[C@H]24)C1=O	28763223	RRUXFHZBXYCPNW-NJIYJJKUSA-N	582.657	3.661	5	1	KHBF	
COc1ccc(NC(=O)N2CCc3c(sc(NC(=O)c4ccc([N+](=O)[O-])s4)c3C(N)=O)C2)cc1	103257816	HDXZVALCXUUYAO-UHFFFAOYSA-N	501.546	3.668	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](Oc2ccccc2[N+](=O)[O-])[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](O)[C@]1(C)O	49802091	JNLKAKSVQSMYFQ-ZOZMCWJISA-N	710.862	3.509	5	1	KHBF	
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])cnc2[nH]1)OCc1ccccc1	587220952	HFYNDPRPUIBEDL-VSGBNLITSA-N	621.654	3.748	5	1	KHBF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@]1(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	961777004	AOMZRDZTGKLLBM-ODTVBPJYSA-N	610.642	3.912	5	1	KHBF	
O=[N+]([O-])c1ccc([C@H](N2CCOCC2)N2[C@H](c3ccccc3)C[C@H](O)N2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	1772587224	BWQOOSMCKQGJAF-AYRHNUGRSA-N	550.528	3.929	5	1	KHBF	
CCCCOC(=O)CNC(=O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)CC[C@H](NC(=O)/C=C/c1ccccc1)C(=O)OCCCC	1772648205	VRJBOTWTYNVABH-JVKJVQRESA-N	715.782	3.861	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253666826	QSDYWKIHXOZPDJ-AYBBNPDOSA-N	790.867	3.969	5	1	KHBF	
C[C@H]1C(c2ccc3c(c2)-c2ccc(C[N+]45CC[N+](Cc6ccccc6)(CC4)CC5)cc2C3=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12	43845664	MSWARFLUAABGDO-XSHUMLLCSA-O	605.735	3.912	5	1	KHBF	
CC[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)CC	49850387	FSOHMFCAJUTNFT-NBMBROAQSA-N	719.770	3.955	5	1	KHBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	4045865	YZXCBYQQEPOFQI-IAPPQJPRSA-N	562.579	3.857	5	1	KHBF	
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)C(C)C)cc1	586938161	ODDUQYKCCNIAKL-OAQYLSRUSA-N	502.600	3.971	5	1	KHBF	
COc1cc2c3cc(OC)c(O)c4c(=O)c(OC)c5c(c6c(c(OC)c(=O)c(c1O)c26)[C@@H](C(C)=O)[C@@H]5C(C)=O)c43	2356475661	LMLKHGZNEVLYPX-HOTGVXAUSA-N	544.512	3.700	5	1	KHBF	
O=C(O)c1c(=O)c2cc([N+](=O)[O-])c(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)cc2n2c1sc1ccccc12	101445046	UHHQEHVLMHIKGJ-QHCPKHFHSA-N	586.582	3.762	5	1	KHBF	
COc1cc([C@H]2c3cc4c(cc3[C@H](NCc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O	73330300	PXPYSACVTXZLEY-XSGUUIGASA-N	534.521	3.812	5	1	KHBF	
C[C@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	95867077	BSGRBDBXPQQDII-BALWLHIASA-N	567.664	3.940	5	1	KHBF	
COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NC[C@H](C)O)c2cc1OC	82119542	CGIFKVUADZYSCP-INIZCTEOSA-N	526.594	3.524	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@@H](CCCCNC(=O)OCc2ccccc2)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1	163553345	YFCHTAQZDNTFDK-HHHXNRCGSA-N	651.790	3.667	5	1	KHBF	
CC(=O)O[C@H]1[C@H](C)O[C@@H]([n+]2ccc3c(C)c4[nH]c5ccc(O)cc5c4c(C)c3c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	169302072	AOYYJQCFKBFHRE-IVGVTYOISA-O	535.573	3.797	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@](O)(c3nccn3C)C(F)(F)F)c2c1	587619205	CAVQDHXLSXTGBU-NRFANRHFSA-N	539.492	3.726	5	1	KHBF	
Cc1cccc2cc3c(=O)n(CCN(C)CCCN(C)CCn4cc(C(=O)NCCN(C)C)c5nc6c(C)cccc6cc5c4=O)cc(C(=O)NCCN(C)C)c3nc12	95541989	WAPPFUKLVXORMD-UHFFFAOYSA-N	803.025	3.566	5	1	KHBF	
CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4054829	JIAZDGFISOJGIB-GGAORHGYSA-N	504.971	3.815	5	1	KHBF	
O=[N+]([O-])c1ccc(OCCSc2nc(O)c(I)c(Cn3nnc4ccccc43)n2)cc1	653692795	JQCUGXKSJXELIC-UHFFFAOYSA-N	550.338	3.659	5	1	KHBF	
CNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	27627148	ZHIOWBPYEDMEAK-PMERELPUSA-N	588.753	3.677	5	1	KHBF	
C[C@H]1O[C@H](C)[C@H]2O[C@@]3(O)CC(=O)c4c(O)c5c6c7c8c9c(c(O)c1c2c9c3c47)C(=O)C[C@@]8(O)O[C@H]6[C@@H](C)O[C@@H]5C	85637788	HNUPXDLGAHSVEQ-RLKVFYBNSA-N	546.528	3.969	5	1	KHBF	
CC1=NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712098	OGOZHRAHRGSAEE-ZNYAXDMNSA-N	597.602	3.738	5	1	KHBF	
C[C@H](CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1	13643813	XDMSCJBUSTWQPT-HXUWFJFHSA-N	503.559	3.619	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@H]1CCCO1	26491909	YFLJEIPTOWNYBT-UCTNYEFPSA-N	611.629	3.780	5	1	KHBF	
C[N+]1(CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)[C@@H]2CCC[C@@H]1CC2	100847847	WTFMCEXVAITAAK-FXALBQAHSA-O	557.545	3.986	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(COC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195259277	JNHZHWAWXANEFT-ISCDLOTPSA-N	762.813	3.536	5	1	KHBF	
O=C(O)c1cn(C2CC2)c2cc(N3CCN(Cn4nc(N5CCN(c6ccc([N+](=O)[O-])cc6)CC5)n(-c5ccccc5)c4=O)CC3)c(F)cc2c1=O	1857574002	IQFGFEHXVGCGBX-UHFFFAOYSA-N	709.739	3.536	5	1	KHBF	
C[C@](O)(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857592680	XZMFEIRLQGDLDJ-INIZCTEOSA-N	500.373	3.796	5	1	KHBF	
C[C@H](C[C@]1(C(=O)O)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	963233457	JVQZCFISXYVZTD-KWMUNWTBSA-N	635.538	3.860	5	1	KHBF	
CC(=O)O[C@H]1C[C@](C)(O)[C@@]23OC(C)(C)[C@@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccc([N+](=O)[O-])cc1	27656501	IXSWGSBIIPUDTB-POGMCJGDSA-N	629.615	3.531	5	1	KHBF	
CC(=O)NCCNc1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2cccc([N+](=O)[O-])c2)n1	82136111	APEHGXYDPMGSRY-UHFFFAOYSA-N	502.453	3.549	5	1	KHBF	
CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	82148203	GLQSSXHKXKFTAV-IHJXWSBQSA-N	506.607	3.521	5	1	KHBF	
CC1=NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OCN1C(=O)c2ccccc2S1(=O)=O	169712081	NLOYMUVIARICHF-VXFDCLNWSA-N	597.602	3.738	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@@H]1CCCO1	26491898	YFLJEIPTOWNYBT-LDPWLSSJSA-N	611.629	3.780	5	1	KHBF	
CSCCNS(=O)(=O)c1ccc(NNC(=S)N2CCC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	27768490	WLCOKZLFXYCUEZ-DEOSSOPVSA-N	628.802	3.808	5	1	KHBF	
CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c([N+](=O)[O-])c1	586994592	XURDHTCIAZQZKM-VWLOTQADSA-N	542.525	3.945	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN1CCCC1=O	4153480	DCIITVUGPPIAAM-VWNXMTODSA-N	514.966	3.867	5	1	KHBF	
CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1[N+](=O)[O-]	169715630	KBBXXVKUKBWTIG-VPUSJEBWSA-N	559.692	3.820	5	1	KHBF	
O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4208079	GRUOIIXCIJZHHN-DPQOWFAMSA-N	523.929	3.789	5	1	KHBF	
CCOC(=O)CCNC(=O)Oc1ccc2c(c1)c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C	26292795	OQEWEMZMZDVMGZ-UHFFFAOYSA-N	519.602	3.521	5	1	KHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1	587268310	QGFOAESJEUYALK-UHFFFAOYSA-N	530.633	3.882	5	1	KHBF	
CN(C)CCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2c([N+](=O)[O-])ccc(O)c2n1	1857774733	UWLRAGZJMKQUGF-HXUWFJFHSA-N	517.630	3.732	5	1	KHBF	
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@](C)(O)[C@@H]3O)c21	2356327955	LTQMETLCTOYANG-VJWIFXQDSA-N	550.560	3.969	5	1	KHBF	
COc1cc([C@@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@H]2COC(=O)c2cc(N)cc([N+](=O)[O-])c2)ccc1O	49757052	CNQITICOVLKEBJ-GFOCBTRVSA-N	646.561	3.718	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cc1	586952577	IRQQQNKQZFDYHX-ZHACJKMWSA-N	578.607	3.769	5	1	KHBF	
COc1cc(Cn2c3ccccc3c(=O)c3cc(NC(=O)CCN4CCOCC4)ccc32)cc(OC)c1	64513359	HGFNMJAIFAVRKJ-UHFFFAOYSA-N	501.583	3.881	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	103207198	YZMZGIBVYWYVPB-CSKMKTBNSA-N	578.486	3.945	5	1	KHBF	
CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	105163086	KHMNWBRZCKLWND-AUUXCDECSA-N	506.607	3.521	5	1	KHBF	
CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1N1C(=O)c2ccccc2C1=O	587621642	YOPKQCMYAOERAN-UHFFFAOYSA-N	578.559	3.792	5	1	KHBF	
CCOC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C	963070360	UEBSSRIHDDZFFY-VPYPWEPUSA-N	553.568	3.880	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587264649	OXVZRJHROFNBFH-UHFFFAOYSA-N	563.552	3.569	5	1	KHBF	
CC(C=CC=CC=CC=CC=C(C)C(=O)N[C@H](C(=O)O)[C@H](O)C(N)=O)=CC(C)=C[C@H]1N=C(C=Cc2ccc[nH]2)O[C@@H]1C	2356716557	QLGDZYNEUOCYJB-DOYJQPJHSA-N	574.678	3.693	5	1	KHBF	
CCCCCC[C@H](C(=O)OC)[C@H](OC(=O)CNC=O)c1cccc2nc3c(C(=O)OC)cccc3nc12	2356803913	XOMPSHSJZVOWKH-UQBPGWFLSA-N	509.559	3.660	5	1	KHBF	
CO[C@@H]1[C@H]2CO[C@@H]1[C@H]1[C@@H](O2)n2c3ccc([N+](=O)[O-])cc3c3c4c(c5c6ccccc6n1c5c32)C(=O)NC4=O	28764262	VSNLGWYASCQAOY-SFSUPHRBSA-N	510.462	3.560	5	1	KHBF	
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cc2oc3cc(OCC(=O)N[C@H](Cc4cnc[nH]4)C(=O)OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C	299855582	BMWSXIFWXNFPMR-URLMMPGGSA-N	828.876	3.683	5	1	KHBF	
COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1	774079	FOFSRHMIEZQOIJ-SFHVURJKSA-N	517.494	3.988	5	1	KHBF	
O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4208078	GRUOIIXCIJZHHN-WYRQLCSISA-N	523.929	3.789	5	1	KHBF	
CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(C)(c3ccccc3)CC2)=C(C)N1	13782496	GUAVMGVSYJRNOX-MHZLTWQESA-N	531.657	3.875	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)[C@@H](F)[C@@H](O)[C@@H]1O	169367563	SWORYDJCKUWKPZ-GKZWBPOYSA-N	578.471	3.552	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@@+](C)(Cc3ccc(F)cc3)C2)cc1	254101152	HBJANPVGVPJJER-DWXGIIEHSA-O	563.650	3.976	5	1	KHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1	587847080	FQEXREBGFFFPTA-SFDCACGMSA-N	553.406	3.616	5	1	KHBF	
O=C(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Nc1ccc(Oc2cccc(NC(=O)CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)cc1	49889425	QCEWTGAQZPBCDW-UHFFFAOYSA-N	702.549	3.849	5	1	KHBF	
COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1C(=O)OC	587621522	VGIPIYJBMLRJGI-UHFFFAOYSA-N	624.563	3.846	5	1	KHBF	
CC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2nc3nc(-c4cccs4)cc(-c4ccc([N+](=O)[O-])cc4)c3c(=O)n12	1772627355	JMWNCVXIRFFUJT-UHFFFAOYSA-N	587.599	3.582	5	1	KHBF	
COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	767350	YUAACLCTYUAECG-RSXGOPAZSA-N	519.510	3.791	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@]2(O)[C@H](O)C=C[C@@H]3C[C@H]([C@H](C(O)O)C4(c5ccc(O)cc5)CCCCC4)O[C@H]1[C@]32O	2356718856	ICEUPDCRYRITTG-QVTCIAKHSA-N	737.802	3.930	5	1	KHBF	
Cc1c([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)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	587283296	DAHCWNGOHBIWGS-GLGIOPCTSA-N	759.120	3.991	5	1	KHBF	
O=C(NCCCC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@@H]1CCCCNC1=O)OCc1ccccc1	104963915	SOWJANNLIFAAOB-DHIUTWEWSA-N	622.704	3.698	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	42988864	HDCWHMNZVVOIJW-FTLGCGQMSA-O	603.696	3.869	5	1	KHBF	
CCNC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715752	NCZMUOVWUNLZDT-YTMVLYRLSA-N	603.720	3.892	5	1	KHBF	
CCn1cc(-c2nc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n(CN(C)C)n2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	1911578378	UVQRZBQDVQEQHV-UHFFFAOYSA-N	648.725	3.940	5	1	KHBF	
Cc1ccc([N+](=O)[O-])c2c(NCCNC(=O)c3cc(C(=O)NCCNc4ccnc5c(C)ccc([N+](=O)[O-])c45)n(C)n3)ccnc12	5811712	LRCIQSSOTUORFQ-UHFFFAOYSA-N	626.634	3.634	5	1	KHBF	
CC(=O)N(Cc1ccccc1[N+](=O)[O-])C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1	27853358	FQKOMYRVAJEDBJ-MHZLTWQESA-N	568.678	3.974	5	1	KHBF	
NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NCCN2CCCCC2)c([N+](=O)[O-])c1	15937469	ADEGDMBDJNAQBV-VWLOTQADSA-N	503.603	3.921	5	3	KHBF	
O=C1[C@H](c2ccccc2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@H](c2ccccc2)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	1857754945	JREVZBFUZBCAHI-UIOOFZCWSA-N	636.620	3.734	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1N	771631	KYWBBWOXVZNIDJ-UKILVPOCSA-N	504.499	3.713	5	1	KHBF	
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	49793666	DJFBJFNKECFROO-FBZFJNBBSA-N	554.688	3.626	5	1	KHBF	
O=C(NCCC[C@@](NC(=O)OCc1ccc([N+](=O)[O-])cc1F)(C(=O)O)C(F)F)OCc1ccc([N+](=O)[O-])cc1F	95557095	AAJFXBZWWFBVPC-QFIPXVFZSA-N	576.412	3.803	5	1	KHBF	
CCOC(=O)c1cc(Br)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2c1	587262589	DAXDAPILCNBBCB-UHFFFAOYSA-N	516.352	3.893	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Oc4ccc(F)cc4F)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587291250	ONXHZRPQVYPEOT-CUOCVEGISA-N	695.580	3.616	5	1	KHBF	
COC(=O)Cc1c(-c2ccccc2N)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587620916	KDLZOVCYYYKENQ-UHFFFAOYSA-N	510.528	3.850	5	1	KHBF	
C[N+](C)(C)CCO[P@@](=O)(O)OC[C@H](COCn1nnc2ccccc21)OCc1cccc2ccccc12	40395806	TVKLCDYLMWPUFW-QHCPKHFHSA-O	529.554	3.984	5	1	KHBF	
O=C(NCCCC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@@H]1CCCCNC1=O)OCc1ccccc1	104963911	SOWJANNLIFAAOB-PKTZIBPZSA-N	622.704	3.698	5	1	KHBF	
CC[C@@H](COC)Nc1nc(N2CC[C@H](NC(=O)c3cccc(C)c3[N+](=O)[O-])C2)nc2cc(OC)c(OC)cc12	105133421	OZANCCDBHRKNAI-ROUUACIJSA-N	538.605	3.709	5	1	KHBF	
Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\[C@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1	203757351	UAUIUKWPKRJZJV-MDJGTQRPSA-N	765.893	3.637	5	1	KHBF	fda
COC(=O)[C@@H]1C[C@@]23C(=NC(c4ccc([N+](=O)[O-])cc4)=C(C(F)(F)F)[C@@H]2N(C)c2ccccc23)N1C(C)=O	36381844	STOSLYZGNWZDMV-XZOYJPPVSA-N	514.460	3.831	5	1	KHBF	
COC(=O)C[C@]1(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])c2cccc(F)c2CCN1[C@H]1CCSC1	962717076	UMBDXIFRZDQARP-IZHWHUGBSA-N	533.534	3.599	5	1	KHBF	
C[C@@]1(c2cnn[nH]2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963216517	BUYNQBBEKKWCEI-RBTNQOKQSA-N	586.517	3.851	5	1	KHBF	
Nc1nc(=S)[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1sc(Nc3ccc(S(N)(=O)=O)cc3)nc1O2	103209532	BEBGWBOGCJDMJP-CYBMUJFWSA-N	529.585	3.763	5	1	KHBF	
CC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@@H](C(N)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715687	YNUSNUOVFGZNLF-IXCJQBJRSA-N	559.667	3.658	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Sc4ccccc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587315448	QXRANSIGFPBFCB-LMWQPGMKSA-N	675.668	3.697	5	1	KHBF	
CCOC(=O)[C@@H]1CSC[C@]12N[C@H](C(=O)Nc1ccc3[nH]c4ccccc4c(=O)c3c1)Cc1ccccc12	963014672	JNZOWWQDFDPUTN-NKQQYQHASA-N	513.619	3.956	5	1	KHBF	
NC(=O)[C@H]1CSC[C@]12c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963228870	FEPMEIXMQBJNTA-NSZUCLEHSA-N	620.596	3.513	5	1	KHBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC	4044731	YGBKVHSUCLKDMZ-XNMGPUDCSA-N	534.569	3.965	5	1	KHBF	
O=C(O)c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1	27748080	GXTXUZPKCHAUBA-UHFFFAOYSA-N	554.610	3.609	5	1	KHBF	
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O[C@@H]1[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1	28757981	AOYYJQCFKBFHRE-ANPBXHKDSA-O	535.573	3.797	5	1	KHBF	
CCn1c(CCn2cc([N+](=O)[O-])cn2)nnc1SCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587662383	ZKGJNGCSJQSNJR-UHFFFAOYSA-N	548.560	3.594	5	1	KHBF	
COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	770139	DTIOSGUDESTSRO-AHWVRZQESA-N	518.526	3.806	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1	104961605	KHFVGRPOHVAMTD-DEOSSOPVSA-N	582.752	3.504	5	1	KHBF	
COC(=O)[C@H]([C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577096	QXSMBRANAQTBSZ-NMYXQDNZSA-N	537.521	3.979	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC	4054301	RHMZPOMTPAZFKU-VWNXMTODSA-N	516.982	3.959	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@H]1CCCO1	26477761	OSQXDLXGECZIEZ-LMPIKOICSA-N	597.602	3.738	5	1	KHBF	
CCNc1nc(N2CC[C@H](NC(=O)CCCc3ccc([N+](=O)[O-])cc3)C2)nc2cc(OC)c(OC)cc12	82119238	GVSCUOAHDLZXRE-SFHVURJKSA-N	508.579	3.705	5	1	KHBF	
NNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCN(C(=S)Nc3ccnc4cc(Cl)ccc34)CC2)n1	98083165	NZJUYGHYAVECRA-UHFFFAOYSA-N	552.024	3.530	5	1	KHBF	
N=c1ccc2cc3ccc(N)cc3n(CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)c-2c1	535362997	MNNKTCUVLIGQMJ-KSWBWTIQSA-N	605.809	3.716	5	1	KHBF	in-vitro
COc1ccc(C(OC[C@H]2O[C@H](n3cnc4c(=O)n(Cc5ccccc5[N+](=O)[O-])nnc43)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	195524787	RQSLPIDCZACCJF-YFOHFSHHSA-N	706.712	3.590	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cccc12	586943981	LQUKUFQHPFESDY-KRWDZBQOSA-N	541.590	3.747	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cccc12	586944116	QVRNSYKKJSZTFD-SFHVURJKSA-N	514.583	3.978	5	1	KHBF	
COc1cc2c(=O)n(CCN(C)S(=O)(=O)C(F)(F)F)c3c4cc5c(cc4ccc3c2cc1OC)OCO5	1857544235	AOBOXAACPVGXIC-UHFFFAOYSA-N	538.500	3.835	5	1	KHBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)([C@]2(O)CC[C@H](O)C2)[C@@H](O)[C@@H]1OCc1ccccc1	2356698724	LINMIODUQUVLAC-MQGZYQIUSA-N	569.610	3.689	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4)[C@H](O)[C@H]1O	140204328	QZADSWDHADURFQ-CUVWJXSFSA-N	570.429	3.948	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2cc(OCc4ccccc4)c(I)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587295475	YLPKPNPMDZXLCV-OPDUNPQNSA-N	799.523	3.729	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(COC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	95607395	JNHZHWAWXANEFT-GMXFXFKZSA-N	762.813	3.536	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169363446	QSDYWKIHXOZPDJ-YDPWVXSMSA-N	790.867	3.969	5	1	KHBF	
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)cc1	587284975	JEFAFBVOCFZKPU-LMQCMXTLSA-N	692.073	3.710	5	1	KHBF	
COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(=O)n(Cc5ccccc5[N+](=O)[O-])nnc43)[C@@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	82196683	RQSLPIDCZACCJF-RQSQFTRXSA-N	706.712	3.590	5	1	KHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1	587267683	DBZUROHQZMKGCE-UHFFFAOYSA-N	527.524	3.762	5	1	KHBF	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)[C@H](NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	253677698	CWGNPQLBELCZSW-NSDVRNASSA-N	916.031	3.644	5	1	KHBF	
N=C(N)c1ccc2[nH]c(-c3cc(C(CC(=O)O)CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)nc2c1	28572318	MRTVUCFEZZIYDQ-UHFFFAOYSA-N	503.471	3.828	5	1	KHBF	
O=C(O[C@@H]1C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2C[C@H]1OC(=O)c1ccc(F)c([N+](=O)[O-])c1)c1ccc(F)c([N+](=O)[O-])c1	169344559	FTYFPULTQVDRDF-MWLYUNMASA-N	614.558	3.637	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cccc12	586941609	LHTPACZQSHYKOS-UHFFFAOYSA-N	504.366	3.931	5	1	KHBF	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	299811115	BYYFYGLMSXQRAZ-NEXWMXBXSA-N	871.034	3.736	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCOc3ccccc3C(N)=O)c2c1	587621516	VFKIKZGMHGISRJ-UHFFFAOYSA-N	524.555	3.914	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@@H]1CCCO1	26491903	YFLJEIPTOWNYBT-HMOVQVJBSA-N	611.629	3.780	5	1	KHBF	
COc1c(N2CCN(c3nnc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12	72118889	DKTBBZZYWKHXKG-AWEZNQCLSA-N	564.530	3.856	5	1	KHBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CNc5ncccc5[N+](=O)[O-])[nH]c4c3)cc2)CC1	587268553	DDRKZRHTKZBFRI-UHFFFAOYSA-N	514.590	3.520	5	1	KHBF	
C[C@@](O)(CS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857575690	BCTVGFSSPOQYIC-MRXNPFEDSA-N	516.372	3.676	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@@H]1O	28471951	DWXJZYOAYLKQST-SVCGMLJHSA-N	596.461	3.849	5	1	KHBF	
CCNC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	27563669	COYXUFNFFWVLGI-GDLZYMKVSA-N	603.720	3.679	5	1	KHBF	
O=[N+]([O-])c1c(CS(=O)(=O)c2ccc(I)cc2)nc2ccc(Br)cn12	96939368	SDJIUTSGAZBMQJ-UHFFFAOYSA-N	522.118	3.584	5	1	KHBF	
COc1cc2nc(N3CC[C@H](NC(=O)CCCc4ccc([N+](=O)[O-])cc4)C3)nc(NCCCN3CCCC3=O)c2cc1OC	105132595	KEXXUBKDVWMBDB-QFIPXVFZSA-N	605.696	3.697	5	1	KHBF	
CC(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(Nc1ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c1[N+](=O)[O-])C2	1772657007	RJRXLKYFRDNIJE-HUUCEWRRSA-N	522.559	3.623	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@@H](O)c1ccccc1	20781795	DBRAKTHLURFTNL-UGIARPQZSA-N	519.510	3.664	5	1	KHBF	
C[N+]1(CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)CSc4cc(Cl)ccc4Cl)[C@H]3SC2)[C@H]2CCC[C@H]1CC2	100847852	WTFMCEXVAITAAK-JPUQQOQSSA-O	557.545	3.986	5	1	KHBF	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(C(=O)O[C@@H](C)Cn2c([N+](=O)[O-])cnc2C)cc1	653793646	HZKRIAYPKCGAPE-NPMXOYFQSA-N	520.502	3.951	5	1	KHBF	
C[C@@H](C[C@]1(C(=O)O)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	963233460	JVQZCFISXYVZTD-MQGGOETQSA-N	635.538	3.860	5	1	KHBF	
CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CN(C)C4=O)O[C@@H]1CO	58496285	HQZPJMNVPRNXOF-SWGXUMBPSA-N	570.429	3.948	5	1	KHBF	
O=C(N[C@H](COCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085863	WOXANVRDLPHWIA-OAQYLSRUSA-N	506.540	3.943	5	1	KHBF	
CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1	101090446	HEEKUWDLPPDKMK-OYRHEFFESA-N	502.637	3.794	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4=O)[C@H](O)[C@H]1O	136848436	IDJBSIHZPGRCAI-BJIUMZSASA-N	584.412	3.588	5	1	KHBF	
CC(C=CC=CC=CC=CC=CC=CC=C(C)C(=O)N[C@H](C(=O)O)[C@H](O)C(N)=O)=C[C@@H]1N=C(C=Cc2ccc[nH]2)O[C@H]1C	2356716196	GPQNFPNWHXLGOB-WNNDGGSHSA-N	586.689	3.859	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1	20781781	IVMUUGRUHFFYMN-BOVDGQEDSA-N	533.537	3.534	5	1	KHBF	
CCCc1c(O)ccc2c1O[C@](C)([C@@H](C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)CC2=O	587473167	QQIBDQOBYJZTCG-RNHNHXFSSA-N	501.532	3.936	5	1	KHBF	
COCCc1ncc([C@@H]2N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)cn1	963028929	TZLMMRQOEGPTHV-XCZPVHLTSA-N	505.578	3.903	5	1	KHBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)([C@]2(O)CC[C@H](O)C2)[C@H](O)[C@H]1OCc1ccccc1	2356698725	LINMIODUQUVLAC-OUXRHZQXSA-N	569.610	3.689	5	1	KHBF	
COC(=O)c1cccc2nc3c([C@@H](OC(=O)CNC=O)[C@@H](CCCC(C)C)C(=O)OC)cccc3nc12	2356794520	HZCVMBGWEZESSG-KBMIEXCESA-N	509.559	3.515	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587293551	JOLRQYLMAGKMLK-NDEKLWFNSA-N	696.036	3.540	5	1	KHBF	
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1	29557080	ZQDODLCBWIVPHE-SVBPBHIXSA-N	678.676	3.966	5	1	KHBF	
O=C(N[C@@H](COCc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104967789	UODBYNNSIHMSTA-QHCPKHFHSA-N	537.642	3.636	5	1	KHBF	
COCCNc1ccc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1[N+](=O)[O-]	587264730	ITMBRILSWLQGCS-UHFFFAOYSA-N	577.623	3.795	5	1	KHBF	
CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@@H](C(=O)NC)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715709	KJPZGJYUDUIYGW-PXJZQJOASA-N	603.720	3.892	5	1	KHBF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@]1(COc1ccccc1[N+](=O)[O-])C(C)(C)C	961946330	BQOHPJOEFVJKRN-ITKPRSQTSA-N	588.661	3.607	5	1	KHBF	
CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)CC1	4055012	XLOPQLILRORGPT-GMAHTHKFSA-N	520.417	3.747	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@H](CO)[C@H](C)CC	4153598	YHZSHMJPLJEUGU-SPTDKPQASA-N	515.563	3.626	5	1	KHBF	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccc(OC)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	28970977	VGSJBWYIEOPMMJ-FATVKVNYSA-N	577.546	3.957	5	1	KHBF	
COC(=O)[C@H](NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(C)C	40848018	KROWIOBSVVOHEX-XMMPIXPASA-N	510.550	3.969	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4044886	SSTUAKRWWAMMIQ-VAQLEPBLSA-N	583.642	3.895	5	1	KHBF	
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1O)CCCN1C(=O)c2ccccc2[C@@H]1O	26249194	ONHXBBTWZOFQBW-ALHJQXIUSA-N	552.760	3.774	5	1	KHBF	
CC(=O)OC[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	49733980	APBWYWHXIZTNSS-ZELGOWMDSA-N	669.643	3.910	5	1	KHBF	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1	653793663	KTIOIWKPYJUSTA-QFIPXVFZSA-N	506.475	3.563	5	1	KHBF	
CCOC(=O)C1=C(CCn2ccnc2)N=C(CCn2ccnc2)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	81135269	CQBXOXSEJDUBOV-DNQXCXABSA-N	534.573	3.703	5	1	KHBF	
O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	1857755622	TYYMDFJSENIDMT-UHFFFAOYSA-N	508.457	3.586	5	1	KHBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82080842	VNOPKHUDIIZJRR-QFIPXVFZSA-N	507.616	3.662	5	1	KHBF	
COC(=O)CN1CCOCCOCCOCCOCCOc2cc(-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)ccc21	28342589	MGNQIWDZZZOXDP-UHFFFAOYSA-N	629.609	3.987	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@@H](CO)C(F)(F)[C@H](O)[C@@H]1O	28471938	DWXJZYOAYLKQST-JLICDVAESA-N	596.461	3.849	5	1	KHBF	
O=C(Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@H]3C=C[C@]12O3	103108340	BBMJJGKPJROQJJ-ATTIQVRLSA-N	539.488	3.541	5	1	KHBF	
CCOC(=O)/C(=C\N(C)C)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CC	587620333	BAUITUODYJXCOB-JXAWBTAJSA-N	516.576	3.914	5	1	KHBF	
C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc([N+](=O)[O-])c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1	587176151	FOSKXJFHAIBDIM-TXEJJXNPSA-N	509.517	3.835	5	1	KHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1	587846001	CJMGTJDYNQEVMI-MYODQAERSA-N	553.406	3.616	5	1	KHBF	
CN(C)CCN(C[C@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2c([N+](=O)[O-])ccc(O)c2n1	1857774732	UWLRAGZJMKQUGF-FQEVSTJZSA-N	517.630	3.732	5	1	KHBF	
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)c1ccc([N+](=O)[O-])cc1	49792460	OZXAUNWWVJYQMW-FLXBVFITSA-N	599.685	3.534	5	1	KHBF	
CCOC(=O)C1=C(C)NC(CN(C)CC(C)(C)NC[C@@H](O)COc2ccccc2OC)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	164493111	FCIFTJJAUMNBNF-FYBSXPHGSA-N	654.761	3.684	5	1	KHBF	investigational
C[C@H]1CN(c2cnn(C/C=C/c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)c2Cl)C[C@@H](C)N1	45186840	RVZBNFXGXSYZFD-GEWVGOBGSA-N	522.993	3.957	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	504256450	PXLMSFXTMZAFQK-NEOYCHAESA-N	562.531	3.755	5	1	KHBF	biogenic
Cc1cc(C)c2[nH]c(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	587264913	APHFQXKXTLOAHW-UHFFFAOYSA-N	531.566	3.717	5	1	KHBF	
COC(=O)[C@@H](N=O)c1c(-c2cccnc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12	587621599	XZFYUYHXUGNPNT-QFIPXVFZSA-N	525.499	3.928	5	1	KHBF	
O=C(NCCCN1CCCC1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4054290	RBAOXRQLGCHIDH-JTHBVZDNSA-N	500.939	3.671	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1	4153635	ZBHYTLLDMBTCON-RPFZEFQRSA-N	549.580	3.822	5	1	KHBF	
N[C@@H](Cc1cc(I)c(Oc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)O	169346232	IMMAGODRQNPGJT-ZDUSSCGKSA-N	554.078	3.551	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C	586927647	UZMRFNLJQXATEF-UHFFFAOYSA-N	617.065	3.794	5	1	KHBF	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82135368	HKHQMDAPUYTXQN-NRFANRHFSA-N	502.575	3.724	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC(C)C	26480818	AFBKOXIBLKMVCJ-QPQMVVSWSA-N	555.565	3.967	5	1	KHBF	
CO[C@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CN(C)C4=O)[C@H](O)[C@H]1O	195237024	HQZPJMNVPRNXOF-KKUHHXHJSA-N	570.429	3.948	5	1	KHBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(I)cnc(Cl)c2[nH]1	587266898	QDTARJVXSCDNSV-KBUNVGBDSA-N	518.655	3.566	5	1	KHBF	
COc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	963230135	LNJUNHZJRBGUSP-ATIYNZHBSA-N	549.561	3.916	5	1	KHBF	
C[C@](O)(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	1857590439	NXMJKPOCTYBUHZ-INIZCTEOSA-N	500.373	3.796	5	1	KHBF	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(o/c(=C\c3ccc(Cl)cc3)c2=O)=N1	103168374	XRLUAVSATKMVNM-FCKOQQNDSA-N	514.925	3.967	5	1	KHBF	
COc1cc2nc(N3CCCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(NCCCN3CCCC3=O)c2cc1OC	105125240	PVRFBWHAEUNHGH-UHFFFAOYSA-N	591.669	3.641	5	1	KHBF	
CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)C[C@@H]5CO5)CCC[C@]4(C)[C@H]2C[C@H]1C[C@@H]3C(=O)OC[C@H](O)C[N+](C)(C)C[C@@H]1CO1	299829004	HMYOJBGBUPGQEX-OPUHDODGSA-N	690.963	3.576	5	1	KHBF	
CC(=O)N1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	82150132	JMNKRYCHGWWGNH-UHFFFAOYSA-N	502.575	3.771	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	169363445	QSDYWKIHXOZPDJ-VDJXVYHISA-N	790.867	3.969	5	1	KHBF	
COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC	770146	KWUCNFULYXVAIG-XTEPFMGCSA-N	562.579	3.857	5	1	KHBF	
O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4081241	CJTDDLSDCRNAKN-KWOQKUFVSA-N	509.902	3.919	5	1	KHBF	
COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2COC(=O)c2cc(N)cc([N+](=O)[O-])c2)ccc1O	49757053	CNQITICOVLKEBJ-HMAILUFVSA-N	646.561	3.718	5	1	KHBF	
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)O[C@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)OC[C@@H]21)OCO3	103209719	UTLOYCVTEIDWHM-NNFXHWNNSA-N	621.551	3.969	5	1	KHBF	
O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1	586944103	QNYJKBSWKCNISV-UHFFFAOYSA-N	556.826	3.845	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@](O)(c3nccn3C)C(F)(F)F)c2c1	587619207	CAVQDHXLSXTGBU-OAQYLSRUSA-N	539.492	3.726	5	1	KHBF	
C[C@@H]1COc2c(N3CCC(O)(c4ccc(Cl)cc4)CC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23	29126810	SAZXAWGPECSZRT-GFCCVEGCSA-N	517.897	3.842	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4=O)[C@@H](O)[C@@H]1O	43693218	IDJBSIHZPGRCAI-OJKTXWNQSA-N	584.412	3.588	5	1	KHBF	
CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	49784587	RPQSAFZRBJAIIJ-FLXBVFITSA-N	599.685	3.534	5	1	KHBF	
COC(=O)[C@H]1C[C@@]23C(=NC(c4ccc([N+](=O)[O-])cc4)=C(C(F)(F)F)[C@@H]2N(C)c2ccccc23)N1C(C)=O	66167094	STOSLYZGNWZDMV-ZHRMCQFGSA-N	514.460	3.831	5	1	KHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1	587847081	FQEXREBGFFFPTA-SPSFWMDKSA-N	553.406	3.616	5	1	KHBF	
COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCc3cccs3)c2=N)cc1	1857569713	RKPPISFVGKVPOX-UHFFFAOYSA-N	513.623	3.722	5	1	KHBF	
C[C@@](O)(CS(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857616202	UJHHXKBOUJWXEV-MRXNPFEDSA-N	516.372	3.676	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4051302	KWAVUKXHOZLVPZ-BSDZUQITSA-N	540.573	3.829	5	1	KHBF	
COc1c(OC[C@H](O)CN2CCOCC2)cc2oc3cc(OC[C@H](O)CN4CCOCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	206912006	BFTJLYXXCOEQDG-KAYWLYCHSA-N	696.838	3.822	5	1	KHBF	
CCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H]3C	253896479	NFGWKOSFJPCAEW-CSYZCYKESA-N	976.134	4.008	5	1	KHBF	
CC(=O)OC[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)N(C)C4=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	27094062	APBWYWHXIZTNSS-BHOBDISMSA-N	669.643	3.910	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	95601420	PYOSSHQXZGZCPD-QNMIOERPSA-N	621.624	3.630	5	1	KHBF	
CC(C)(C)OC(=O)NCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCNC(=O)OC(C)(C)C)C2=O	42878184	YMUAUKYIRVIPKI-UHFFFAOYSA-N	543.577	3.805	5	1	KHBF	
Cc1c([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)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	587299102	RVSHGSBVZRZQRO-DZZZIPSPSA-N	710.692	3.857	5	1	KHBF	
COc1cc2c(oc(=O)c3cc(C)cc(OC)c32)c2c([C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@](C)(O)[C@H]3O)ccc(O)c12	2356646695	MOICNMDKCPHILF-OIHBIPMNSA-N	538.549	3.634	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@H]1CCCO1	26471526	SWFDFDYYLHEXCU-DPQDSCJVSA-N	597.602	3.738	5	1	KHBF	
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[nH]3)c2)cc([N+](=O)[O-])c1)c1ccccc1	84759199	LYHKYPBIGLZXEJ-YMUMJAELSA-N	634.653	3.607	5	1	KHBF	
O=C(N[C@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104961402	XJXAUONRGDAKTA-WOJBJXKFSA-N	553.666	3.535	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Oc4ccccc4C(=O)N4CCCC4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587296609	APNUQPNVFHSAQF-KUOIFYGKSA-N	756.717	3.574	5	1	KHBF	
C[C@@]12Oc3c(O)ccc4c3[C@]13CCN(CC1CC1)[C@@H](C4)[C@]3(NC(=O)CCc1ccc([N+](=O)[O-])cc1)CCC2=O	58689560	PDLDCRKROORTJW-IUFAUYNMSA-N	531.609	3.580	5	1	KHBF	
Cc1ccc(S(=O)(=O)N2CCCN(c3ccn4cc(-c5ccc(F)cc5)nc4n3)CC2)cc1[N+](=O)[O-]	1857610057	MIZKFZIJJMJMFC-UHFFFAOYSA-N	510.551	3.653	5	1	KHBF	
CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc([N+](=O)[O-])cc1	105176168	UUTPLKQZXPHNHG-UHFFFAOYSA-N	537.573	3.908	5	1	KHBF	
CO[C@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4)[C@H](O)[C@H]1O	169366189	KZYFWRQNBSFZCG-FUHOSHINSA-N	556.402	3.606	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC	4044737	YGBKVHSUCLKDMZ-VPUSJEBWSA-N	534.569	3.965	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@@H](CO)C(F)(F)[C@@H](O)[C@@H]1O	38363277	DWXJZYOAYLKQST-AMRLFYLKSA-N	596.461	3.849	5	1	KHBF	
CCCc1c(O)ccc2c1O[C@](C)([C@H](C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)CC2=O	587473165	QQIBDQOBYJZTCG-LZECLLPCSA-N	501.532	3.936	5	1	KHBF	
NC(=O)[C@H]1CSC[C@@]12c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963228871	FEPMEIXMQBJNTA-RCPZKCPKSA-N	620.596	3.513	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC[C@@H]1CCCO1	26477752	OSQXDLXGECZIEZ-ANURGVSGSA-N	597.602	3.738	5	1	KHBF	
C[C@H]1COc2c(N3CCc4ccccc4[C@@H]3C(=O)NC(C)(C)C)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23	29127296	RYBFFIKRPCLJHF-ORAYPTAESA-N	538.532	3.719	5	1	KHBF	
CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4)O[C@@H]1CO	100804854	KZYFWRQNBSFZCG-QCZFXLQYSA-N	556.402	3.606	5	1	KHBF	
C[C@@]1(CC(=O)O)C2=CC3=NC(=CC4=NC(=CC5=NC(=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	150339284	XVMBJMFZVHXHQH-ZTKUHGNGSA-N	860.826	4.550	5	1	KHBF	in-vitro,metabolite
CC(C)Oc1ccccc1N1CCN(C2CCC(NS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1	52988048	HEEKUWDLPPDKMK-UHFFFAOYSA-N	502.637	3.794	5	1	KHBF	
CN1CC[C@@]2(C1=O)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963213064	GAUXFXPIHMMSGC-ZTOMLWHTSA-N	588.529	3.526	5	1	KHBF	
CS(=O)(=O)c1ccc(Nc2ncnc(NC3C[C@H]4CC[C@H](C3)N4C(=O)OCC3CC3)c2[N+](=O)[O-])c(F)c1	1772648127	MCYJJFUPXFKYIJ-HZPDHXFCSA-N	534.570	3.625	5	1	KHBF	
COc1cc([N+](=O)[O-])ccc1NC(=S)NC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]12	1857595841	CNRWPIUUROMRHE-SAQZZPNQSA-N	549.392	3.710	5	1	KHBF	
COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C(=O)[C@]4(C[C@@H]5C[C@]67CCO[C@H]6CC[N@+]6([O-])CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@H]76)[C@@H]4OCC[C@]4(C1)[C@H]23	255204505	CUSQNXIDWSRALE-VOIGOUBDSA-N	748.877	3.702	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1	4153632	IVMUUGRUHFFYMN-YJIIWGRFSA-N	533.537	3.534	5	1	KHBF	
C[N@@+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N@@+]4(C)CCCC[C@H]4CO)ccc2-3)CCCC[C@@H]1CO	253687943	BKDMICIBSRKEST-YJINGOIZSA-P	578.754	3.538	5	1	KHBF	
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cc2oc3cc(OCC(=O)N[C@H](Cc4cnc[nH]4)C(=O)OC)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC	299855584	BMWSXIFWXNFPMR-WDYNHAJCSA-N	828.876	3.683	5	1	KHBF	
CCOC(=O)[C@H]1CSC[C@]12N[C@H](C(=O)Nc1ccc3[nH]c4ccccc4c(=O)c3c1)Cc1ccccc12	963014674	JNZOWWQDFDPUTN-NUJSINJASA-N	513.619	3.956	5	1	KHBF	
CC(C=CC=CC=CC=CC=CC=CC=C(C)C(=O)N[C@H](C(=O)O)[C@H](O)C(N)=O)=C[C@H]1N=C(C=Cc2ccc[nH]2)O[C@@H]1C	2356716195	GPQNFPNWHXLGOB-OKYDJYPCSA-N	586.689	3.859	5	1	KHBF	
Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](CO)CC6=O)c3cc2o1	85592861	HTEWLQKZVSHQFS-JTQLQIEISA-N	532.457	3.635	5	1	KHBF	
CCOC(=O)/C(=C/N(C)C)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C	587621317	TWRNUUSNLRSHBS-GHRIWEEISA-N	502.549	3.660	5	1	KHBF	
COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCOCCO)cc1OCc1ccccc1	104326485	KZWFCBIBYVUVJT-UHFFFAOYSA-N	577.546	3.972	5	1	KHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C[N+](=O)[O-])c1ncn(Cc2ccccc2)c1[N+](=O)[O-]	587578377	WNVJFRVDGJCUQE-CJFMBICVSA-N	502.439	3.679	5	1	KHBF	
CCOc1ccc(-c2nn(C(=O)c3[nH]nc([N+](=O)[O-])c3Br)c(=O)c3ccccc23)cc1OCC	587671551	ZMTHMGSRRCQSNW-UHFFFAOYSA-N	528.319	3.943	5	1	KHBF	
Cn1ncnc1[C@H]1c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963211484	CARDZAKNXCTKFS-XUZZJYLKSA-N	586.517	3.687	5	1	KHBF	
CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)c(=O)c3ccccc23)c(O)c1	587670563	OZNKCGLYUKUGFO-UHFFFAOYSA-N	579.635	3.534	5	1	KHBF	
CC[C@H](C)C[C@H](C)C=C(C=C(C)C=CC=CC=CC=CC=Cc1cc2c(c(=O)o1)[C@H](O)[C@H](O)[C@H]([C@@H](O)[C@@H](O)CO)O2)C(=O)O	2356540665	GDSQFNQIWJCATH-XMZXFEDCSA-N	612.716	3.777	5	1	KHBF	
CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4205689	PLJLCBNCFINTGS-JTHBVZDNSA-N	504.971	3.815	5	1	KHBF	
COc1cc2nc(N3CCC(CNC(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(N[C@H]3CCCCNC3=O)c2cc1OC	105136583	VLRAACYGHCJGGV-VWLOTQADSA-N	619.723	3.991	5	1	KHBF	
Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1[C@]21N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21	963707595	ZTEIERGJTDUVHC-SECNDIFOSA-N	577.593	3.772	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CC3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	95549528	UWYITJXOXDBTTP-PXBYLRBDSA-N	778.937	3.749	5	1	KHBF	
C[C@@H](N)C(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	169322639	RTLWTNGNXISZBI-OAHLLOKOSA-N	502.497	3.770	5	1	KHBF	
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(Cc3ccc4c(c3)OCO4)CC2)cc1	95559132	ZQHBXNYECHRJKJ-NDEPHWFRSA-O	603.696	3.908	5	1	KHBF	
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)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](NC(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)C(C)=C1C2(C)C	169358146	FYGFRFAJNUZQGT-PKCHNARUSA-N	898.915	3.644	5	1	KHBF	
CC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@H](C(N)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715688	YNUSNUOVFGZNLF-XTEPFMGCSA-N	559.667	3.658	5	1	KHBF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@]1(C[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1[N+](=O)[O-]	961791571	YEWHWUYYFURQTA-NZIGBEJMSA-N	642.709	3.811	5	1	KHBF	
O=C1[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	1857754944	JREVZBFUZBCAHI-CLJLJLNGSA-N	636.620	3.734	5	1	KHBF	
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@]2(O)CC[C@H]([C@H](C(O)O)C3(c4ccc(O)cc4)CCCCC3)O[C@@H]12	2356354902	AHPSWTKEGFNRFL-QGDHYQSKSA-N	713.780	3.765	5	1	KHBF	
C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCn1nnc2ccccc21)OCc1cccc2ccccc12	40395805	TVKLCDYLMWPUFW-HSZRJFAPSA-O	529.554	3.984	5	1	KHBF	
COC(=O)c1nc(-c2cn(Cc3ccc4ccc5cccc6ccc3c4c56)nn2)n([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)n1	95558263	KWAVHRAWWYURRY-FTBITJBVSA-N	666.647	3.593	5	1	KHBF	
COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(OC)c(c(c1OC)c24)c65)[C@@H](C(C)=O)[C@@H]3C(C)=O	238775193	DYLMNCRRGPXGBV-HZPDHXFCSA-N	544.512	3.700	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)CN3CCN(c5ccc([N+](=O)[O-])cc5)CC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	1772656788	XEGKMMMWBHMFGT-BSCAUQEJSA-N	661.664	3.691	5	1	KHBF	
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)c2ccc([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	169373216	FWAUXOCKXJSGAC-YUKVPPSFSA-N	898.915	3.644	5	1	KHBF	
CNC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@@H]1c1ccc([N+](=O)[O-])cc1	169715690	AGNYFINNIVFBHA-XTEPFMGCSA-N	589.693	3.502	5	1	KHBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	767346	RYOSHVBLNXFWNL-RSXGOPAZSA-N	519.510	3.791	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)[C@@H](F)[C@H](O)[C@@H]1O	28473211	SWORYDJCKUWKPZ-KZCFZMAVSA-N	578.471	3.552	5	1	KHBF	
O=C(Nc1cccc(Br)c1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1	27104691	UCMILHYJKVNEMU-UHFFFAOYSA-N	529.263	3.639	5	1	KHBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)NC(C)=C(C(=O)O)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	27564404	YSNYWXWAQFVCJP-HHHXNRCGSA-N	576.650	3.627	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC	504610449	VGOYUFKGSPMAOZ-NEOYCHAESA-N	562.531	3.755	5	1	KHBF	biogenic
O=C(Oc1c(CO)[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1OC[C@@H](CO)C1(c2ccc(O)cc2)CCCCC1	2356745333	SMRBJHIDMYGOLV-HHLCBGEHSA-N	671.743	3.914	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccn(C)n3)c2c1	587619142	BIVHUDDDOXNGHE-UHFFFAOYSA-N	523.449	3.869	5	1	KHBF	
C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N+]4(C)CCCC[C@@H]4CO)ccc2-3)CCCC[C@@H]1CO	26579224	BKDMICIBSRKEST-QGLSYBHVSA-P	578.754	3.538	5	1	KHBF	
C[C@@H]1CN([C@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	95867107	BSGRBDBXPQQDII-CJYOKPGZSA-N	567.664	3.940	5	1	KHBF	
COc1nc(Br)cnc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1	169324302	CKPOHJKFZWSJJT-XBXARRHUSA-N	540.377	3.670	5	1	KHBF	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@H]2Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2F)c1[N+](=O)[O-]	1772648655	JOSPAOMJZOISPJ-QWQRMKEZSA-N	537.570	3.838	5	1	KHBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cncc([N+](=O)[O-])c2[nH]1)OCc1ccccc1	587221713	IYXQOBRAZJZNNV-FTJBHMTQSA-N	621.654	3.748	5	1	KHBF	
Nn1c(SC[C@@]2(c3ccc(Cl)cc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)nnc1-c1ccc([N+](=O)[O-])cc1	962900576	IZTMBONAVZVMSZ-OFVILXPXSA-N	554.991	3.994	5	1	KHBF	
CC(C)[C@H](NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	1857535588	QJKVNPFWMGSBAG-KRWDZBQOSA-N	503.364	3.666	5	1	KHBF	
C[C@@](O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	1857593924	MGXFOLLDXHFBKO-MRXNPFEDSA-N	500.373	3.796	5	1	KHBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC	4054306	RHMZPOMTPAZFKU-LADGPHEKSA-N	516.982	3.959	5	1	KHBF	
C/C(=C(\F)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1F)c1cc(C(=N)N)ccc1[N+](=O)[O-]	13442392	BTHGEOHDOYZQGL-CIAFOILYSA-N	515.498	3.672	5	1	KHBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(I)cnc(Cl)c2[nH]1	587266903	QDTARJVXSCDNSV-UPONEAKYSA-N	518.655	3.566	5	1	KHBF	
COc1cc2c(=O)oc3c(OC)c(O[C@@H]4C[C@H](OC(=O)c5cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c5)[C@@H](OC(C)=O)[C@H](COC(C)=O)O4)cc4c(=O)oc(c1OC)c2c34	2356639586	VNUQKLQMVUSMET-AGKKXDHOSA-N	852.707	3.506	5	1	KHBF	
O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	769145	CJTDDLSDCRNAKN-CKUXNOBLSA-N	509.902	3.919	5	1	KHBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1	587266377	LCMMZFIFPBSHOV-HMILPKGGSA-N	602.652	3.956	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CF)[C@@H](O)[C@@H](O)[C@H]1O	28474407	LEHQLDQOIPATGT-MGDBSACHSA-N	578.471	3.552	5	1	KHBF	
CCCCOC(=O)COC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104968638	IEUPTJNORSJQMT-FQEVSTJZSA-N	541.582	3.920	5	1	KHBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])cnc2[nH]1)OCc1ccccc1	587220934	HFYNDPRPUIBEDL-IZLXSDGUSA-N	621.654	3.748	5	1	KHBF	
O=C(Nc1ccc(C[C@H](NC(=O)[C@H]2CCC(=O)N2Cc2ccccc2)C(=O)O)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	27854512	UZDJXPGRSXEUQF-XZOQPEGZSA-N	564.982	3.804	5	1	KHBF	
NS(=O)(=O)Nc1cc([C@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O	43587445	GZMAXAFUBOVRGB-YFXJRYMSSA-N	562.446	3.541	5	1	KHBF	
O=C(Cc1cc(Br)cc(Br)c1OC(=O)CCN1C(=O)C=CC1=O)Nc1ccccc1[N+](=O)[O-]	299863507	PGJAFRRRBINYOE-UHFFFAOYSA-N	581.173	3.522	5	1	KHBF	
CC(N)=[N+]1CCC(Oc2ccc3c(nc(C)n3Cc3ccc4ccc(C(=N)N)cc4c3)c2[N+](=O)[O-])CC1	169717358	AMHANGMCUDSEIH-UHFFFAOYSA-O	500.583	3.669	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)[C@H](F)[C@@H](O)[C@@H]1O	261170560	SWORYDJCKUWKPZ-XTGKFLBHSA-N	578.471	3.552	5	1	KHBF	
C[C@@](O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	1857589743	LUQTZPYGFMOIAO-MRXNPFEDSA-N	500.373	3.796	5	1	KHBF	
COc1cc2c3c4c(cc(OC)c5c(=O)c6c(c(c7c(C[C@@H](C)O)c(O)c(=O)c1c37)c54)C[C@H](C)O6)OCO2	2356284173	QSBYREFKKOWKSI-MNOVXSKESA-N	516.502	3.594	5	1	KHBF	
COC(=O)CN1CCOCCOCCOCCOc2cc(-c3c4ccc(=[N+](C)C)cc-4oc4cc(N(C)C)ccc34)ccc21	28334616	XJNDASSHEVTJDW-UHFFFAOYSA-N	604.724	3.724	5	1	KHBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H](n2cnc3c(Cl)nc(Cl)nc32)OCc2ccccc21	66103232	UYKGSVJABNEMHQ-MRXNPFEDSA-N	521.342	3.966	5	1	KHBF	
O=C(NCCCC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCNCC1)OCc1ccccc1	104964413	VFCJYVNMDUIZPP-QHCPKHFHSA-N	594.694	3.735	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])c1	587267098	TXJQEYBWJCKKNX-UHFFFAOYSA-N	627.405	3.771	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	103173815	AHYOYCQABJJWDK-CSKMKTBNSA-N	569.544	3.586	5	1	KHBF	
Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)OCc5ccc([N+](=O)[O-])cc5)OC4=O)cc3F)cn2)n1	621478416	RNXMXHWDSVPOPY-LJQANCHMSA-N	549.475	3.665	5	1	KHBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)([C@]2(O)CCC3(CCCC3)C2)[C@@H](O)[C@H]1O	2356349688	LTJRMRYOEHQHIY-GJDJGZIVSA-N	517.578	3.664	5	1	KHBF	
CN(C)CCCN(C)CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	26275771	KEHHOOLKJYHAPT-PMERELPUSA-N	710.927	3.718	5	1	KHBF	
Cc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(CO)oc6cc45)c3cc2o1	85555245	GZIQKPWGGIPNAJ-UHFFFAOYSA-N	530.441	3.907	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906459	DJWHMFQBPJKPFO-QYUQTYFBSA-N	626.663	3.777	5	1	KHBF	
O=C(O)c1ccc2c(c1)[C@@H](SCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1CO2	13726951	HWMUAQRZWRTGJU-QFIPXVFZSA-N	500.554	3.987	5	1	KHBF	
O=C(N[C@H](CSCc1ccccc1)C(=O)N1CCCNCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82084557	QERYMYUZMGXRGE-JOCHJYFZSA-N	525.656	3.572	5	1	KHBF	
C[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	95867041	BSGRBDBXPQQDII-YHGPEZAFSA-N	567.664	3.940	5	1	KHBF	
COc1cc(CNc2ccc(C(=O)NCCN(C)C)c3[nH]c4c([N+](=O)[O-])cccc4c(=O)c23)cc(OC)c1OC	1772619192	HBNCTHSPBIZOQP-UHFFFAOYSA-N	549.584	3.519	5	1	KHBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)/C(=C(/O)OCCO)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	27563042	PBRNXCWKTJNIAH-OOVLPZSHSA-N	620.703	3.919	5	1	KHBF	
C[C@@]12Oc3c(O)ccc4c3[C@]13CCN(CC1CC1)[C@H](C4)[C@]3(NC(=O)CCc1ccc([N+](=O)[O-])cc1)CCC2=O	100722816	PDLDCRKROORTJW-OQTWNIQDSA-N	531.609	3.580	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4044890	SSTUAKRWWAMMIQ-UFKXBGGNSA-N	583.642	3.895	5	1	KHBF	
COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NC[C@@H](C)O)c2cc1OC	82119541	CGIFKVUADZYSCP-MRXNPFEDSA-N	526.594	3.524	5	1	KHBF	
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@@H](C(=O)O)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715755	LKPWIPQTSCWMKP-SXOMAYOGSA-N	576.650	3.841	5	1	KHBF	
Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C)c1	586932380	OFCGDXSMFDCPKU-SFHVURJKSA-N	574.664	3.640	5	1	KHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C[N+](=O)[O-])(c2ncn(Cc3ccccc3)c2[N+](=O)[O-])N1	587747754	RRPNWLHOGFBUQD-ZSEKCTLFSA-N	504.316	3.796	5	1	KHBF	
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	2356867232	PPEIDTBCMMFPCL-QHSVAYEDSA-N	524.581	3.675	5	1	KHBF	
C[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1	963664109	CVDUYEZKOMFKMX-KJOQGJGQSA-N	509.946	3.625	5	1	KHBF	
Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Br)cc3F)n2)ccc1[N+](=O)[O-]	1772640518	GPQYQEMCACEGKG-UHFFFAOYSA-N	514.319	3.845	5	1	KHBF	
CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1OCCN1C(=O)c2ccccc2C1=O	587621138	PKVSHMZOKKGDLO-UHFFFAOYSA-N	622.612	3.666	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc5nc6ccccc6nc5cc4[nH]3)cccc12	586938388	XIFAGUYUHLAZGH-DEOSSOPVSA-N	539.621	3.774	5	1	KHBF	
COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	44031964	TUQAMIXPKYOMBK-SFHVURJKSA-N	587.563	3.530	5	1	KHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1c1cccc([N+](=O)[O-])c1	49784805	OCGGXPVGFLYDKY-OAQYLSRUSA-N	512.431	3.562	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2cc(OCc4ccccc4)c(I)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587295478	YLPKPNPMDZXLCV-QBZAKTHRSA-N	799.523	3.729	5	1	KHBF	
CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)c(O)c1	587666540	CXJFSFIRGKWZIO-HNNXBMFYSA-N	506.519	3.630	5	1	KHBF	
COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	4052169	PWLBLEZSIRNRSD-OZXSUGGESA-N	519.510	3.791	5	1	KHBF	
CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1cccc(OC(F)(F)F)c1	104959367	RWFYMDDJXNTENL-LJQANCHMSA-N	597.597	3.859	5	1	KHBF	
CC(=O)O[C@H]1[C@@H](C)O[C@@H]([n+]2ccc3c(C)c4[nH]c5ccc(O)cc5c4c(C)c3c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	169302071	AOYYJQCFKBFHRE-JZCCELAESA-O	535.573	3.797	5	1	KHBF	
COc1cc2nc(N3CCCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(NCCCN3CCOCC3)c2cc1OC	105125313	MCRXDHSHMVJOAG-UHFFFAOYSA-N	621.739	3.751	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)cc1	586954338	ZHDPRIWJPMBDHL-HJWRWDBZSA-N	623.604	3.677	5	1	KHBF	
COc1ccc(CCNC(=O)[C@@]23CN(Cc4ccccc4)C[C@@H]2C(c2cccc([N+](=O)[O-])c2)=NO3)cc1	59785725	JNTGSIIBFRFFDE-LEAFIULHSA-N	500.555	3.567	5	3	KHBF	
O=C(CC[N+]1([O-])CCCCC1)NC1=CC2=Nc3cc(NC(=O)CC[N+]4([O-])CCCCC4)ccc3C(=O)[C@H]2C=C1	101325608	LGNOJWHDXVACPD-QHCPKHFHSA-N	535.645	3.857	5	1	KHBF	
CCCCCCN1CCN(c2ccc3c4c(cccc24)C(=O)N(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)C3=O)CC1	1857607494	ZSHCSAWPTHGKRX-NRFANRHFSA-N	548.644	3.612	5	1	KHBF	
CCN(CC)CCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4205687	PLJLCBNCFINTGS-GGAORHGYSA-N	504.971	3.815	5	1	KHBF	
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(F)cc2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587293734	ODXZEMJOCBZJKK-LMWQPGMKSA-N	693.658	3.836	5	1	KHBF	
COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)ccc1OCCn1c([N+](=O)[O-])cnc1C	587946880	YLCOOXVGABKACQ-UHFFFAOYSA-N	657.623	3.849	5	1	KHBF	
COc1cc([N+](=O)[O-])ccc1NC(=S)NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]12	1857595840	CNRWPIUUROMRHE-LCRZVWJLSA-N	549.392	3.710	5	1	KHBF	
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H](C)[C@@H](O)[C@@H](N(C)C)[C@@H]3O)c21	14685274	ZHXCTIMNNKVMJM-VWTZUPQQSA-N	521.566	3.577	5	1	KHBF	in-vitro
COC(=O)c1cc(Cl)c2[nH]c(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	587266389	LFVXXXFPRNZXJI-UHFFFAOYSA-N	595.993	3.540	5	1	KHBF	
CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cccnc1	587621537	XBMPOQBWAHWUKM-UHFFFAOYSA-N	524.511	3.688	5	1	KHBF	
O=[N+]([O-])c1ccc([C@H](N2CCOCC2)N2[C@H](c3ccccc3)C[C@@H](O)N2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	1772587227	BWQOOSMCKQGJAF-SKBVVQJISA-N	550.528	3.929	5	1	KHBF	
CCn1c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)CC2)c1=S	1857565314	WGBKMGIIDWNZCW-UHFFFAOYSA-N	665.752	3.621	5	1	KHBF	
O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1c1nc(=Nc2ccccc2[N+](=O)[O-])[nH]c(=Nc2ccccc2[N+](=O)[O-])[nH]1	1857575383	TUMDSQKEAHXHHY-OAQYLSRUSA-N	575.523	3.706	5	1	KHBF	
C[C@](O)(COc1ccc(I)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	13559487	PJANTQSJBUANIU-INIZCTEOSA-N	510.206	3.987	5	1	KHBF	
CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC[C@@H]1CCCO1	26471518	SWFDFDYYLHEXCU-DJEVIJOISA-N	597.602	3.738	5	1	KHBF	
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCn3c4ccccc4c(=O)c4ccccc43)cn2C)cn1C	28711781	PHMWYJISVFJPSQ-UHFFFAOYSA-N	595.704	3.794	5	1	KHBF	
O=C(NCCCC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N[C@@H]1CCCCNC1=O)OCc1ccccc1	104963535	AYDPYKKCVNZZDQ-RPWUZVMVSA-N	622.704	3.698	5	1	KHBF	
O=C(Cc1cc(Br)cc(Br)c1OC(=O)CCCN1C(=O)C=CC1=O)Nc1ccccc1[N+](=O)[O-]	299865249	TUTZTHFBHHMXBH-UHFFFAOYSA-N	595.200	3.912	5	1	KHBF	
CCCCCCN1CCN(c2ccc3c4c(cccc24)C(=O)N(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)C3=O)CC1	1857607495	ZSHCSAWPTHGKRX-OAQYLSRUSA-N	548.644	3.612	5	1	KHBF	
COc1c(Oc2ccc([N+](=O)[O-])cc2)cc2cc1Oc1ccc(cc1[N+](=O)[O-])C[C@@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2[C@@H](O)C(=O)O	95544111	RMKOYBNBFOLFFT-WQOCECMFSA-N	814.805	3.841	5	1	KHBF	
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C2	103257802	KBGOGNLLHWKIHU-UHFFFAOYSA-N	516.517	3.567	5	1	KHBF	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1	587265554	WDYHXHXMCUBPJY-FVMDXXJSSA-N	508.285	3.853	5	1	KHBF	
CCOC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C	963070357	UEBSSRIHDDZFFY-RXYILKCJSA-N	553.568	3.880	5	1	KHBF	
Cc1ccc(S(=O)(=O)Nc2ccc(-c3cc(-c4ccc([N+](=O)[O-])cc4)n(C(=S)NN)n3)cc2)cc1	299868826	SKPSGUXVJKZFIK-UHFFFAOYSA-N	508.585	3.831	5	1	KHBF	
CCCCCCc1[nH]c2cccc([N+](=O)[O-])c2c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O	587647683	MFJHLGFZZAWJQU-DRTRTFRYSA-N	519.639	3.744	5	1	KHBF	
CS(=O)(=O)c1ccc(Nc2ncnc(OC3C[C@H]4CC[C@H](C3)N4S(=O)(=O)c3ccc(F)cc3)c2[N+](=O)[O-])c(F)c1	1772576235	ZEIXGKJMSIIOJE-HZPDHXFCSA-N	595.606	3.573	5	1	KHBF	
O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nnn[nH]2)c1)c1cc(C(=O)N2COC[C@@H]2CC2CCCCC2)cc([N+](=O)[O-])c1	84669204	UWDKGKKVJBHUKJ-CHQNGUEUSA-N	682.738	3.885	5	1	KHBF	
COc1cc2c(cc1OC)[C@](c1ccc(C)cc1)(c1cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([N+](=O)[O-])c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2	962669412	DWJQQYFJMGMZPH-IJJLIMCFSA-N	784.693	3.906	5	1	KHBF	
COC(=O)C1=C(N)OC2=C([C@H]1c1cccc([N+](=O)[O-])c1)[C@]1(CC(C)(C)C2)NCCc2nc3ccccn3c21	962983638	LVPFCCALHJDHDM-KMRXNPHXSA-N	515.570	3.815	5	1	KHBF	
COc1cc2nc(N3CCC(CNC(=O)c4cccc(C)c4[N+](=O)[O-])CC3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC	105136509	QBQCCMFJYGDLQY-JOCHJYFZSA-N	591.669	3.591	5	1	KHBF	
Cn1c2ccc3cc2c(=S)c2cc(ccc21)OCCOCCOCCOCCOCCOCCO3	5741476	HHNJBDDZFYZPLE-UHFFFAOYSA-N	503.617	3.915	5	1	KHBF	
Cc1c2c(C(=O)NCCN(C)C)nccc2c(C)c2c1c1cc(OC(=O)CCCC(=O)O)ccc1n2C	1490027	SKUONFDZCWFMMQ-UHFFFAOYSA-N	504.587	3.948	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)N(C)C4=O)[C@H](O)[C@@H]1O	43693214	IDJBSIHZPGRCAI-GAGNBLIMSA-N	584.412	3.588	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1	587266871	PRYLAHHXGFWNIG-WHEQGISXSA-N	542.530	3.723	5	1	KHBF	
O=C(CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1	26480031	WAOFNVCMBRFNOA-UHFFFAOYSA-N	548.502	3.880	5	1	KHBF	
Cc1oc(-c2nc3cc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)ccc3[nH]2)cc1[N+](=O)[O-]	587269175	RQTDLABHOYGMRF-UHFFFAOYSA-N	508.516	3.638	5	1	KHBF	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)no1	5546127	ZVPFERAGNIFAPW-UHFFFAOYSA-N	532.534	3.574	5	1	KHBF	
COC(=O)C1=C(N)OC2=C([C@@H]1c1cccc([N+](=O)[O-])c1)[C@]1(CC(C)(C)C2)NCCc2nc3ccccn3c21	962983646	LVPFCCALHJDHDM-PIKZIKFNSA-N	515.570	3.815	5	1	KHBF	
O=C1CS(=O)(=O)[C@@]2(C(=O)N(Cc3ccc(Br)cc3)c3ccc([N+](=O)[O-])cc32)N1c1ccc(F)c(F)c1	95564478	FOGKBXYRZSGHAZ-QHCPKHFHSA-N	578.347	3.797	5	1	KHBF	
O=C(OC[C@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	95613546	NDETXRJGONENPG-VPBXCIAMSA-N	557.515	3.997	5	1	KHBF	
COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]4C[C@@H](Cn5c4cccc5=O)[C@H]12)CC3	2356826686	ARVXNMOFUPPDOX-KLXNVIBRSA-N	565.630	3.996	5	1	KHBF	
CN(C)CCCCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086183	HSODSGHYHDSOBU-NRFANRHFSA-N	526.615	3.919	5	1	KHBF	
CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@H](C(N)=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715738	UJPDEWMBLYXTHS-XCZPVHLTSA-N	589.693	3.632	5	1	KHBF	
Cn1c2ccccc2c(=N)c2cc(N=c3[nH]c(=N)[nH]c(=Nc4ccc5c(c4)c(=N)c4ccccc4n5C)[nH]3)ccc21	377853408	GKSUOXNMAWVGIP-UHFFFAOYSA-N	538.619	3.864	5	1	KHBF	
CCCc1c(O)ccc2c1O[C@](C)([C@@H](C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1)CC2=O	587473162	QQIBDQOBYJZTCG-BYPCIHSKSA-N	501.532	3.936	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[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/N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)NC(=O)[C@H](C)[C@H](O)[C@@]1(C)O	169715165	NIJOQCPQGUAWDE-FULOEPKQSA-N	967.208	3.752	5	1	KHBF	
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(C2OCCO2)s1	961781468	FWRJBCXAYBUYDA-ITAFUGMPSA-N	656.717	3.685	5	1	KHBF	
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)c2ccc([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	169331758	FWAUXOCKXJSGAC-MZXODVADSA-N	898.915	3.644	5	1	KHBF	
CCOC(=O)C1(c2ccccc2)CCN(CCCNC(=O)C2=C(C)N=C(C)[C@@H](C(N)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	169715739	UJPDEWMBLYXTHS-IXCJQBJRSA-N	589.693	3.632	5	1	KHBF	
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)c21	238785451	ZHXCTIMNNKVMJM-ITULNATBSA-N	521.566	3.577	5	1	KHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1	587850395	PQKZUMMFBVQTHW-VIASRPCQSA-N	553.406	3.882	5	1	KHBF	
CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4208030	WZEJCSZDFURDGY-XDYVYIEOSA-N	505.955	3.880	5	1	KHBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1	169723524	HLARRBJEHUGPFZ-CTNGQTDRSA-N	512.431	3.776	5	1	KHBF	
O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1cccc([N+](=O)[O-])c1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2	42920954	BQRQIGZBXDSMNI-IBGZPJMESA-N	523.465	3.970	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	42922182	GNEIWNURFQPOMA-JWVBLVJJSA-O	591.660	3.999	5	1	KHBF	
CN1CCC[C@@H]1COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82086102	WLOWPHBJZBHBJV-FGZHOGPDSA-N	524.599	3.671	5	1	KHBF	
COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccccc2)=C(C)N=3)cc1	103187843	XUCBODFJAVRORY-ZDQFFALBSA-N	526.574	3.791	5	1	KHBF	
CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCc1cccc(OC(F)(F)F)c1	104959643	DCSOTWPLESNVFY-SFHVURJKSA-N	597.597	3.859	5	1	KHBF	
Nc1ccccc1CNC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104967245	RJKVHULGZFIAKB-HSZRJFAPSA-N	531.594	3.932	5	1	KHBF	
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)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C	169364493	GRZNITSWVGVQHC-MZXODVADSA-N	943.912	3.552	5	1	KHBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)([C@]2(O)CCC3(CCCC3)C2)[C@@H](O)[C@@H]1O	2356349687	LTJRMRYOEHQHIY-CVXDSQQRSA-N	517.578	3.664	5	1	KHBF	
O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4055964	SVCCLVLLBJUFIL-WYRQLCSISA-N	523.929	3.789	5	1	KHBF	
O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1cccc(Cl)c1	71340481	YRLAFHWDHYEPDJ-UHFFFAOYSA-N	574.059	3.768	5	1	KHBF	
CNC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715699	FLMNWZVJMDRXAF-DGPALRBDSA-N	588.753	3.891	5	1	KHBF	
CSc1ccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587266699	NEGKLOXYXLTQBD-UHFFFAOYSA-N	549.606	3.822	5	1	KHBF	
CCn1c(CCn2cc([N+](=O)[O-])cn2)nnc1SCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC	587863478	LFESLZOXGMCBFK-UHFFFAOYSA-N	550.523	3.969	5	1	KHBF	
COc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1OC	82081149	UGUGDGLDOSSZQI-GOSISDBHSA-N	510.572	3.904	5	1	KHBF	
CCNc1nc(N2CCN(C(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	82118410	APZOTLBXLLHMMF-UHFFFAOYSA-N	508.579	3.659	5	1	KHBF	
COC(=O)c1ccc([C@H]2SCC(=O)N2c2ccc(N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)cn2)c(OC)c1	169335159	LIPPTJFBOBMXLK-HHHXNRCGSA-N	563.636	3.886	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	195216573	QSDYWKIHXOZPDJ-PYZWBUADSA-N	790.867	3.969	5	1	KHBF	
O=C1COc2ccc([C@]3(CN4CCNCC4)c4c(cc([N+](=O)[O-])c(O)c4[N+](=O)[O-])C[C@@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)cc2N1	963228936	FOXLDXSNEWSZQE-WAQHJAAWSA-N	750.721	3.949	5	1	KHBF	
CN(Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	35923338	JWFOFCCKZYDYNP-SANMLTNESA-N	522.512	3.737	5	1	KHBF	
O=[N+]([O-])c1cccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12	586943124	OXSKEOMXBPJAKT-UHFFFAOYSA-N	504.160	3.517	5	1	KHBF	
O=[N+]([O-])c1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2cc1Cl	587136954	MEVRBIPOFPGZOL-UHFFFAOYSA-N	519.736	3.714	5	1	KHBF	
CCNc1nc(N2CCC(CNC(=O)c3cccc(C)c3[N+](=O)[O-])CC2)nc2cc(OC)c(OC)cc12	82119394	IEHMVFQRMFVMRV-UHFFFAOYSA-N	508.579	3.942	5	1	KHBF	
COc1cc(O)c2c(=O)c3ccc(O)c(O[C@@H]4c5c(ccc6ccc(=O)oc56)OC(C)(C)[C@H]4O)c3n(C)c2c1	86041839	VMABFFUJXPHEJX-IZLXSDGUSA-N	531.517	3.870	5	1	KHBF	endogenous,in-man
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@@+](C)(Cc3ccc(O)cc3)C2)cc1	261091646	DOTRMAARWOGFII-KNGBFLLCSA-O	561.659	3.543	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(C)nn(C)c3C)c(N3CCOCC3)c2c1	587620973	MERSECDIQAEQTI-UHFFFAOYSA-N	540.602	3.739	5	1	KHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N1	587850392	PQKZUMMFBVQTHW-JPGZBRLGSA-N	553.406	3.882	5	1	KHBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1	26575899	GUICELNKCLOEIC-UHFFFAOYSA-N	547.081	3.585	5	1	KHBF	
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2nc(=O)n(CCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	95612968	DNTPWIYELJHBBB-CKGIOCGYSA-N	776.840	3.578	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N@+](C)(Cc3ccc4c(c3)OCO4)C2)cc1	253632537	HDCWHMNZVVOIJW-VTRPYBQDSA-O	603.696	3.869	5	1	KHBF	
O=C(Nc1ccc(Br)cc1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1	27105087	KAPLOPBMXREGTJ-UHFFFAOYSA-N	529.263	3.639	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CF)[C@H](O)[C@@H](O)[C@H]1O	28474401	LEHQLDQOIPATGT-LMAIIVCMSA-N	578.471	3.552	5	1	KHBF	
O=C(NCCCC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N[C@H]1CCCCNC1=O)OCc1ccccc1	104963925	SOWJANNLIFAAOB-XZOQPEGZSA-N	622.704	3.698	5	1	KHBF	
COc1ccc(CCNC(=O)[C@]23CN(Cc4ccccc4)C[C@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1	263592153	CANICMYTUWQJGA-LSYYVWMOSA-N	500.555	3.567	5	3	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@@H](CF)[C@@H](O)[C@@H](O)[C@H]1O	38363216	LEHQLDQOIPATGT-LZGRPHGASA-N	578.471	3.552	5	1	KHBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC	4044742	YGBKVHSUCLKDMZ-AHKZPQOWSA-N	534.569	3.965	5	1	KHBF	
CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCC(n4c(=O)[nH]c5cc(Cl)ccc54)CC3)nc21	28868182	LYWLTEYVLXGQKH-UHFFFAOYSA-N	540.964	3.896	5	1	KHBF	
CS(=O)(=O)Nn1c(Sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2sc(-c3ccccc3)cc2c1=O	44361115	RGNYCPAQCVDFOA-UHFFFAOYSA-N	519.542	3.596	5	1	KHBF	
CC[C@H](COC)Nc1nc(NCCCNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12	82118824	JJNBOCPPQCDPGK-QGZVFWFLSA-N	526.594	3.933	5	1	KHBF	
CCCCCC[C@H](C(=O)OC)[C@@H](OC(=O)CNC=O)c1cccc2nc3c(C(=O)OC)cccc3nc12	2356803911	XOMPSHSJZVOWKH-DFBJGRDBSA-N	509.559	3.660	5	1	KHBF	
CN1CCN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)C[C@@H]1c1ccccc1	28867513	WLGMIAJHWJQJTC-JOCHJYFZSA-N	503.490	3.624	5	1	KHBF	
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(C(=S)NCc1ccccc1)C2	103257831	LIGDOCSYDXUCGW-UHFFFAOYSA-N	501.615	3.502	5	1	KHBF	
COc1ccc(SC)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CN(C)[C@@H]1C2	28949886	BIYHEELAFNLFEL-KHCICDEESA-N	510.660	3.709	5	1	KHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[N+](=O)[O-])c1ncn(Cc2ccccc2)c1[N+](=O)[O-]	587578381	WNVJFRVDGJCUQE-NBGIEHNGSA-N	502.439	3.679	5	1	KHBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)([C@]2(O)CCC3(CCCC3)C2)[C@H](O)[C@H]1O	2356349689	LTJRMRYOEHQHIY-JLJIDRTLSA-N	517.578	3.664	5	1	KHBF	
O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@H](c2cnc(O)nc2O)N1C(=O)OCC1c2ccccc2-c2ccccc21	963240687	RQCQRZDRMAPTJO-GMAHTHKFSA-N	615.511	3.760	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@@H](CO)C(F)(F)[C@@H](O)[C@H]1O	38363273	DWXJZYOAYLKQST-XJWOPRRESA-N	596.461	3.849	5	1	KHBF	
O=C(Oc1ccc2ccccc2c1[C@H]1Oc2cc(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)c1cccc([N+](=O)[O-])c1	587297883	KTYHVRDFLSREKU-KRQHPSNWSA-N	737.670	3.918	5	1	KHBF	
CCOC(=O)C1=C(C)NC(CN2CCN(c3ccccc3)CC2)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	49783980	NBSLNZAATOXWOZ-SANMLTNESA-N	534.613	3.758	5	1	KHBF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5cc([N+](=O)[O-])n(CC(F)(F)F)n5)[nH]c4c3)cc2)CC1	587090964	DOGZDFYTQYVNGF-UHFFFAOYSA-N	542.522	3.897	5	1	KHBF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]1(Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	961776999	AOMZRDZTGKLLBM-JHFJJOSTSA-N	610.642	3.912	5	1	KHBF	
COc1ccc(OC)c(C(=O)N[C@H](CC(N)=O)c2ccc(NCc3ccc(F)c(F)c3)c([N+](=O)[O-])c2)c1	15937556	SUMVPOGPJNOVIP-OAQYLSRUSA-N	514.485	3.849	5	3	KHBF	
COc1c(Br)c(C(=O)O)c(-c2c3c(c(OC)c(Br)c2C(=O)OCC[N+](C)(C)C)OCO3)c2c1OCO2	26816610	LPSLTOFLDCOMLQ-UHFFFAOYSA-O	634.250	3.914	5	1	KHBF	
CN(C)C(C)(C)COC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086181	IRHBASGBMVIWNS-FQEVSTJZSA-N	526.615	3.917	5	1	KHBF	
CCOC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	27527030	XVBPXSHOAVVRID-SANMLTNESA-N	607.664	3.805	5	1	KHBF	
COc1cc2nc(N3CC[C@@H](NC(=O)CCCc4ccc([N+](=O)[O-])cc4)C3)nc(NCCCn3ccnc3)c2cc1OC	105133570	RHIZFELVVZJRIB-JOCHJYFZSA-N	588.669	3.972	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@@H](CO)C(F)(F)[C@H](O)[C@@H]1O	28471947	DWXJZYOAYLKQST-SNLHPGSSSA-N	596.461	3.849	5	1	KHBF	
O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085862	WOXANVRDLPHWIA-NRFANRHFSA-N	506.540	3.943	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)[C@H](F)[C@H](O)[C@H]1O	261170556	SWORYDJCKUWKPZ-MDIOGFEPSA-N	578.471	3.552	5	1	KHBF	
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-])cnc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C	586914958	ZZDLUCJPTYXUDJ-CRWMDBRTSA-N	614.740	3.771	5	1	KHBF	
CCCCOC(=O)COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104968383	XVGKQWDCKBKGLT-OAQYLSRUSA-N	541.582	3.920	5	1	KHBF	
Nc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82075414	BKAQKEVOWXFRIP-OAQYLSRUSA-N	501.568	3.958	5	1	KHBF	
COc1ccc(-c2nnc(N3CCN(C(=O)CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)CC3)nc2-c2ccc(OC)cc2)cc1	299819042	BBUJNKQBGGRMED-UHFFFAOYSA-N	624.702	3.602	5	1	KHBF	
Cc1ccc([C@]2(c3ccc(Cl)c([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	587286817	UCFJFTIGPVXKLW-XJSBJYOESA-N	692.073	3.710	5	1	KHBF	
CCN(CC)CCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4205685	PLJLCBNCFINTGS-GMAHTHKFSA-N	504.971	3.815	5	1	KHBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H](n2cnc3nc(Cl)nc(Cl)c32)OCc2ccccc21	66078153	WJURSTFSYRVEPQ-MRXNPFEDSA-N	521.342	3.966	5	1	KHBF	
CN1CC[C@]2(C1=O)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963213062	GAUXFXPIHMMSGC-PZGXJGMVSA-N	588.529	3.526	5	1	KHBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](n1cnc2c(OCc3ccccc3)nc(=N)[nH]c21)C(Cl)(Cl)Cl	1857553159	LUEUGTQBZZJOJQ-GOSISDBHSA-N	584.808	3.526	5	1	KHBF	
COc1ccc(CCNC(=O)[C@@]23CN(Cc4ccccc4)C[C@H]2C(c2ccc([N+](=O)[O-])cc2)=NO3)cc1	263592152	CANICMYTUWQJGA-LBNVMWSVSA-N	500.555	3.567	5	3	KHBF	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)n1	5546126	FQBPSNDGSYTJBT-UHFFFAOYSA-N	557.588	3.684	5	1	KHBF	
COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O	586999401	ZWVZXNFAYZPCNK-LGUFPPMKSA-N	666.441	3.602	5	1	KHBF	
CCC(=Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1CCN(c2nc3cc(OC)c(OC)cc3c(=N)[nH]2)CC1	1857591267	LWQGKQKJVHYXAZ-UHFFFAOYSA-N	520.590	3.794	5	1	KHBF	
COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2N)c([N+](=O)[O-])cc1OC	770155	UJQDVMSOBGEYFR-AZGAKELHSA-N	519.558	3.668	5	1	KHBF	
CC(C)CCn1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)cn2C)cc1C(=O)Nc1cc(C(=O)NCCCN(C)C)n(C)c1	26267473	GRRXJZVMKGBRSZ-UHFFFAOYSA-N	676.779	3.896	5	1	KHBF	
CS(=O)(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1	71318102	HIFZVULWFVWUDR-UHFFFAOYSA-N	509.510	3.856	5	1	KHBF	
CC(C)C[C@@H](N)C(=O)N[C@@H]1Cc2ccc(c([N+](=O)[O-])c2)Oc2cc(cc(Oc3ccc([N+](=O)[O-])cc3)c2O)[C@H]([C@@H](O)C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O	95539921	JJKIOZAIZKLREB-BBUSRFBRSA-N	800.778	3.538	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C3CC3)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O	95549535	QEBHZHDPVJZBPJ-PXBYLRBDSA-N	778.937	3.749	5	1	KHBF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COc3ccc([N+](=O)[O-])cc3C=O)nc1-2	587270379	WTAMHPCPHYWJHU-UHFFFAOYSA-N	539.487	3.786	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1	4153633	IVMUUGRUHFFYMN-OTGIWPJISA-N	533.537	3.534	5	1	KHBF	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1	66252585	FAKXPYJYDQFFFP-PVGYFADJSA-N	589.603	3.826	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@H](CF)[C@@H](O)[C@@H](O)[C@@H]1O	169349942	LEHQLDQOIPATGT-IZVOXBDFSA-N	578.471	3.552	5	1	KHBF	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1	66252586	QCDHFJFUNFNDIT-FSIVXCNASA-N	589.603	3.826	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC(=O)N3CCN(c5ccc([N+](=O)[O-])cc5)CC3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	150600773	FXSMOJUKJDUWIY-CEVPYIJPSA-N	633.610	3.981	5	1	KHBF	
CC(C=CC=CC=CC=CC=CC=CC=C(C)C(=O)N[C@H](C(=O)O)[C@H](O)C(N)=O)=C[C@@H]1N=C(C=Cc2ccc[nH]2)O[C@@H]1C	2356716193	GPQNFPNWHXLGOB-NCDXVWQWSA-N	586.689	3.859	5	1	KHBF	
CC(C)[C@H](NC(=O)Cn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)N(C)C3=O)C(=O)N1CCOCC1	44358796	BPGPVRSCACKHFO-MHZLTWQESA-N	565.630	3.654	5	1	KHBF	
O=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587661739	SSFBHQIEDZUUJL-UHFFFAOYSA-N	536.541	3.852	5	1	KHBF	
CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1	13726496	YCFVMRRJBBQZHF-UHFFFAOYSA-N	522.628	3.637	5	1	KHBF	
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)C2	103257828	KQRLCBPQCDHLMU-UHFFFAOYSA-N	532.585	3.732	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CF)[C@H](O)[C@H](O)[C@@H]1O	253638509	LEHQLDQOIPATGT-CEADGFMTSA-N	578.471	3.552	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cccc12	586934647	HTWVYSJXDXPACA-SFHVURJKSA-N	603.503	3.736	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](CCCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587297448	HCYVYLCLLWOYDF-HLFLDCRVSA-N	685.682	3.723	5	1	KHBF	
COc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	963230141	LNJUNHZJRBGUSP-NVQXNPDNSA-N	549.561	3.916	5	1	KHBF	
COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(N[C@H]3CCCCNC3=O)c2cc1OC	105122477	BXYXKHKQLNURDS-QFIPXVFZSA-N	579.658	3.577	5	1	KHBF	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1C[C@@H]2CC[C@@H](C1)N2CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O	150606546	LZNCTXBZYKCTIY-VXKWHMMOSA-N	648.632	3.850	5	1	KHBF	
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)c2ccc([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	169331756	FWAUXOCKXJSGAC-SJBOGKINSA-N	898.915	3.644	5	1	KHBF	
CCCCCC[C@@H](C(=O)OC)[C@H](OC(=O)CNC=O)c1cccc2nc3c(C(=O)OC)cccc3nc12	2356803912	XOMPSHSJZVOWKH-KBMIEXCESA-N	509.559	3.660	5	1	KHBF	
O=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587658038	ITASVIOZYHXHCD-UHFFFAOYSA-N	554.531	3.991	5	1	KHBF	
CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CN(C)C4=O)O[C@@H]1CO	195237013	HQZPJMNVPRNXOF-QBWDQBPMSA-N	570.429	3.948	5	1	KHBF	
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2nc(=O)n(CCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c(=O)c-2nc2cc(C)c(C)cc21)OC(C)=O	253674068	DNTPWIYELJHBBB-JJEVYUTFSA-N	776.840	3.578	5	1	KHBF	
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12)N1CCc2[nH]c3ccccc3c2C1	2356813592	DUTHMEFWNNQEPL-ZGJABYEYSA-N	535.604	3.987	5	1	KHBF	
CN(C)CCCNC(=O)c1nc(NC(=O)c2nc(NC(=O)c3nc(NC(=O)CCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6ccc(O)cc56)c(C(=O)O)c4)cn3C)cn2C)cn1C	169312500	AFQGLGDJDQGBJX-UHFFFAOYSA-N	931.993	3.670	5	1	KHBF	
CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	768717	RJXCZAKPFKAFFM-PVYZAPOSSA-N	505.955	3.880	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@H](n2c3ccc(Br)cc3c3c4c(c5c6cc(Br)ccc6[nH]c5c32)C(=O)N(C)C4=O)[C@H](O)[C@H]1O	29481819	DEZGMCLFUSECBD-CJFFVVNISA-N	673.314	3.806	5	1	KHBF	
COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC	253920756	QYUROEYAFJQVKH-MYFQQKMJSA-N	559.575	3.931	5	1	KHBF	
CCOC(=O)c1cc(Br)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1	587265555	WDYHXHXMCUBPJY-JDNHERCYSA-N	508.285	3.853	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(NC(C)=O)ccc3O)c(CC(=O)O)c2c1	587621211	QNBUCSWZIRCISR-UHFFFAOYSA-N	554.537	3.844	5	1	KHBF	
O=C(N[C@@H]1CCCc2ccccc21)[C@@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	1772651987	WDWOJXRYOJUWDM-WFIHMLKPSA-N	537.638	3.677	5	1	KHBF	
CC(C)C[C@H](NS(=O)(=O)c1ccc(N)cc1)c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-]	1772655197	LZZFPHZGVLATDA-NRFANRHFSA-N	507.572	3.942	5	1	KHBF	
N=C1NC(N2CCOCC2)=N[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(Cl)cc2Cl)N1	1857602017	HZDMHYAMBGFIEK-HXUWFJFHSA-N	515.361	3.569	5	1	KHBF	
C=Cc1cc(OC)c2c(c1)c(=O)oc1c2cc(OC)c2c(O)ccc([C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@](C)(O)[C@H]3O)c21	2356327954	LTQMETLCTOYANG-RKBQBMMCSA-N	550.560	3.969	5	1	KHBF	
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2cccc([N+](=O)[O-])c2)C(=O)O1)S(=O)(=O)c1ccc2ncsc2c1	72138021	FYQJHOOWGOLSBV-IARZGTGTSA-N	667.766	3.965	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4c5cccnc5c5ncccc5c4[nH]3)cccc12	586934296	FJTBZYTURFSPBO-FQEVSTJZSA-N	539.621	3.774	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@H](c2ccc(Sc4ccc(F)cc4)c([N+](=O)[O-])c2)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587294936	VNOVCCXNJGFQIU-LMWQPGMKSA-N	693.658	3.836	5	1	KHBF	
CCCCN1C(=O)N(Cc2cccc(C(=N)NO)c2)[C@H](Cc2ccccc2)[C@H](O)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	28364595	RIFRSSDRIZOQOZ-KAYWLYCHSA-N	610.693	3.515	5	1	KHBF	
COC(=O)[C@@H]1C[C@]23C(=NC(c4ccc([N+](=O)[O-])cc4)=C(C(F)(F)F)[C@H]2N(C)c2ccccc23)N1C(C)=O	169356344	STOSLYZGNWZDMV-SNYIIPAISA-N	514.460	3.831	5	1	KHBF	
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1	586933302	LEEDATHQAVDLND-UHFFFAOYSA-N	558.370	3.978	5	1	KHBF	
CCOC(=O)c1cc(C(=O)OCC)n(-c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)n1	587621412	TURUQJGEGWAJON-UHFFFAOYSA-N	571.568	3.733	5	1	KHBF	
COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccc1OCn1cc([N+](=O)[O-])cn1	962713223	TZRBOTQMHHAVPO-XLIONFOSSA-N	510.400	3.683	5	1	KHBF	
CCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2nc3nc(-c4cccs4)cc(-c4ccc([N+](=O)[O-])cc4)c3c(=O)n12	1772615874	AKMXJPBORPRBLQ-UHFFFAOYSA-N	617.625	3.556	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCOc2ccccc2)cc1	4044723	UIJFNEBKLOYAOI-AZGAKELHSA-N	518.526	3.677	5	1	KHBF	
CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)O[C@@H]1CO	27519874	FDNDTODTDPFKCS-QCZFXLQYSA-N	556.402	3.606	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CNC4=O)[C@H](O)[C@H]1O	253685462	FDNDTODTDPFKCS-ATAMIDGTSA-N	556.402	3.606	5	1	KHBF	
N[C@@H](CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587271217	DCKUEAZSSFDFJH-SFHVURJKSA-N	528.978	3.824	5	1	KHBF	
Cc1nc2ccc3ccc(CNc4ccc5c(=O)n([C@@H](CCC(=O)O)C(=O)O)sc5c4)cc3c2c(=O)[nH]1	13735351	BYMZVHOVULHHSA-FQEVSTJZSA-N	518.551	3.864	5	1	KHBF	
COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCn3ccnc3)c2cc1OC	105122293	MNCNNFCTKJRZSS-UHFFFAOYSA-N	548.604	3.794	5	1	KHBF	
CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cccc12	586938773	XPYXFBMHTUFDRI-QGZVFWFLSA-N	603.503	3.736	5	1	KHBF	
CCCCCCc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O	587646888	AGNWZGVJFXZXDA-YZSSOMPASA-N	519.639	3.744	5	1	KHBF	
O=[N+]([O-])c1cc(-c2csc(N[C@@H](CO)c3nc4ccccc4n3CCOCCO)n2)ccc1Cl	12507237	DUUPMTAWGXFJIV-KRWDZBQOSA-N	503.968	3.876	5	3	KHBF	
O=c1c2cc(NCCCN3CCCC3)c3c(=O)n(CCCN4CCCC4)c(=O)c4cc(NCCCN5CCCC5)c(c(=O)n1CCCN1CCCC1)c2c43	29041132	PLQXYXMUWYIGLP-UHFFFAOYSA-N	740.994	3.833	5	1	KHBF	
COc1ccc2c3c1O[C@@]1(C)C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc([N+](=O)[O-])cc5)[C@@H](C2)N(CC2CC2)CC[C@]341	100722723	GRBDXJJTUGORBA-MGMDOANOSA-N	543.620	3.964	5	1	KHBF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5cn(-c6cccc([N+](=O)[O-])c6)nn5)[nH]c4c3)cc2)CC1	587270260	UDSGNHMHYAEGJT-UHFFFAOYSA-N	537.584	3.719	5	1	KHBF	
COc1c(C[C@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(=O)c4c(OC)cc5c(c6c(cc(OC)c(c1=O)c62)OCO5)c43	2356593860	ZNRVYKKPCFDVRR-BETUJISGSA-N	562.571	3.505	5	1	KHBF	
CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4208027	WZEJCSZDFURDGY-ORVRILKXSA-N	505.955	3.880	5	1	KHBF	
CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN1CCCC1=O	4214351	ZYMBNNVYHUEBBN-RPWUZVMVSA-N	504.584	3.755	5	1	KHBF	
CN(C(=O)[C@H](Cc1ccc([C@@H](N)NN)cc1)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1)C1CCCC1	25996366	VHEBKCZPCCYFHX-VMPREFPWSA-N	545.709	3.704	5	1	KHBF	
O=C(O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1OC(=O)c1ccc(F)c([N+](=O)[O-])c1)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1	66075902	FTYFPULTQVDRDF-NQCYHCHVSA-N	614.558	3.637	5	1	KHBF	
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC5)CCNCC4)c3Cl)c2n1	95542350	MEPUHSNMRSGIAZ-LJAQVGFWSA-N	763.813	3.622	5	1	KHBF	
CCCCNC(=O)[C@@H](C)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCc2ccccc2)=C1C	96023014	VPRWOMAVFGOQJF-SYBRLPANSA-N	692.814	3.924	5	3	KHBF	
O=C(NCCCC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)O)OCc1ccccc1	82085008	RFKMRXGXLPIMFV-IBGZPJMESA-N	512.544	3.998	5	1	KHBF	
C[N@@+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cc(NC(=O)CC[N@@+]4(C)CCCC[C@H]4CO)ccc2-3)CCCC[C@H]1CO	253687934	BKDMICIBSRKEST-NTZGDWIQSA-P	578.754	3.538	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(OC(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1	587266997	RGOHDAQVBSJUMW-UHFFFAOYSA-N	587.508	3.999	5	1	KHBF	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	28971030	GNXFREBJHBUDDY-OQQNJPJOSA-N	547.520	3.949	5	1	KHBF	
CCN(CC)CCCNc1nc(N2CCN(CCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)CC2)nc2cc(OC)c(OC)cc12	105128198	WTCBGBLTXQUELZ-UHFFFAOYSA-N	636.798	3.960	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)C(F)(F)[C@H](O)[C@H]1O	139795562	DWXJZYOAYLKQST-GPLUJQLSSA-N	596.461	3.849	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@@H]1O[C@H](CO)C(F)(F)[C@@H](O)[C@H]1O	261093680	DWXJZYOAYLKQST-FFZKNBMZSA-N	596.461	3.849	5	1	KHBF	
O=C1COc2ccc([C@@]3(CN4CCNCC4)c4c(cc([N+](=O)[O-])c(O)c4[N+](=O)[O-])C[C@@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)cc2N1	963228932	FOXLDXSNEWSZQE-BFXRBFBZSA-N	750.721	3.949	5	1	KHBF	
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	2356325857	RNSJXGZIFVKGTF-RNXOBYDBSA-N	530.625	3.942	5	1	KHBF	
CCOc1ccc(CCNc2ncc(C(=O)NCCCOC)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC	82148211	ZBUCVMPCXKZMJV-UHFFFAOYSA-N	509.563	3.880	5	1	KHBF	
C[C@@]12Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@@H](C4)[C@]3(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CCC2=O	195258531	RIXFPTSTMBDFAF-JWHNYMARSA-N	529.593	3.661	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc3nc(CCOCCOCCOCCOCCNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1	587266772	OPQZEFCNFVZSHX-UHFFFAOYSA-N	688.716	3.910	5	1	KHBF	
CC1(C)Cc2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)cc5C(=O)NCC[N+](C)(C)C)CC4(C)C)C=C3C(=O)NCC[N+](C)(C)C	1857574244	KEFNHTYSOLJZCL-UHFFFAOYSA-P	628.866	3.877	5	1	KHBF	
COc1cc2nc(N3CCCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC	105125893	SGHUCQRQSDIRPR-XMMPIXPASA-N	605.696	3.697	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC	4044888	SSTUAKRWWAMMIQ-SQOVJYTMSA-N	583.642	3.895	5	1	KHBF	
Nc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82075171	XSBXEMUZSFRYTO-JOCHJYFZSA-N	501.568	3.958	5	1	KHBF	
CC(=O)N1CCN(c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	105164724	MTMIICHEBNGIGW-UHFFFAOYSA-N	528.491	3.669	5	1	KHBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@](CCNc3cccc([N+](=O)[O-])c3)(c3ccc(Br)cc3)N2C(=O)[C@@H]2CCCN12	963217465	GFPNXRLNRKXZPB-AOJNWGRGSA-N	565.428	3.584	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1	4044202	BDIHZZUPUYQMRZ-VWNXMTODSA-N	513.982	3.535	5	1	KHBF	
O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4081232	CJTDDLSDCRNAKN-UCFCWBNQSA-N	509.902	3.919	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@H](NC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC	504256449	PXLMSFXTMZAFQK-BBXSYUKCSA-N	562.531	3.755	5	1	KHBF	biogenic
Cc1ccc(C)c2[nH]c(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12	587266368	LAPYLGHPBFDQHQ-UHFFFAOYSA-N	531.566	3.717	5	1	KHBF	
COc1cc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	962915169	AVGUCSWGDNURRD-WMZHIEFXSA-N	516.503	3.507	5	1	KHBF	
CC(C)C[C@@H](NS(=O)(=O)c1ccc(N)cc1)c1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1	1772573857	OZRORPSAJGVARI-HSZRJFAPSA-N	507.572	3.942	5	1	KHBF	
O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	772185	GRUOIIXCIJZHHN-VVMVZBAXSA-N	523.929	3.789	5	1	KHBF	
Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cn(CCO)c3c(cc(O)c4ncccc43)c2=O)cc1	103289418	WZDDMLRASPVSML-UHFFFAOYSA-N	544.589	3.609	5	1	KHBF	
CC(=O)N1CCN(C(=O)c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)CC1	105164314	XYFNPXPEVAPKCC-UHFFFAOYSA-N	528.491	3.987	5	1	KHBF	
NC(=O)c1cc(N2CCC(c3nc4c(I)cnc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-]	587263112	MDYXKTUARFPDRL-UHFFFAOYSA-N	526.722	3.607	5	1	KHBF	
CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@H]2Oc1ncnc(Nc2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-]	1772653841	CFXUTXVWWXEICY-UWWQBHOKSA-N	519.580	3.699	5	1	KHBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CNC[C@@H]2N(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	263621092	UIVYXDOCCSVDSG-KYJUHHDHSA-N	651.723	3.925	5	1	KHBF	in-vitro
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N@+](C)(Cc3ccc(O)cc3)C2)cc1	261091647	DOTRMAARWOGFII-KNLFNTOPSA-O	561.659	3.543	5	1	KHBF	
C[C@@H]1CN(c2cnn(C/C=C\c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)c2Cl)C[C@@H](C)N1	299853948	RVZBNFXGXSYZFD-GRFNRIFCSA-N	522.993	3.957	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@H](c2c4ccccc4cc4ccccc24)[C@@H]1[C@@H](c1ccc(O)cc1)O3	587312159	KORSQNSIOSNWAO-APFQIPFXSA-N	622.626	3.944	5	1	KHBF	
COc1cc(Cc2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)c(S(=O)(=O)N2CCCC2)cc1OC	103271822	VORPNCOUKYLVFO-UHFFFAOYSA-N	505.578	3.582	5	1	KHBF	
CC(C=CC=CC=CC=CC=C(C)C(=O)N[C@H](C(=O)O)[C@H](O)C(N)=O)=CC(C)=C[C@@H]1N=C(C=Cc2ccc[nH]2)O[C@@H]1C	2356716558	QLGDZYNEUOCYJB-KCXYBRFRSA-N	574.678	3.693	5	1	KHBF	
CCCCN(CCCC)CCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	104959799	FMUOXFUQSSHWMM-QFIPXVFZSA-N	578.761	3.662	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(COC(=O)N[C@@H](CCSC)C(=O)N5CCN(c6ccc([N+](=O)[O-])cc6)CC5)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	150555201	SDYWEPLZNVZWKQ-BAVVFRCRSA-N	845.888	3.859	5	1	KHBF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cc([N+](=O)[O-])n(CC(F)(F)F)n5)[nH]c4c3)cc2)CC1	587091839	PQFDPFDOXLSKIM-UHFFFAOYSA-N	556.549	3.939	5	1	KHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1	587117521	KIAGMSDARGCARV-UHFFFAOYSA-N	590.544	3.642	5	1	KHBF	
CC(C)C[C@@H](NS(=O)(=O)c1ccc(N)cc1)c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-]	1772655198	LZZFPHZGVLATDA-OAQYLSRUSA-N	507.572	3.942	5	1	KHBF	
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	2356325853	RNSJXGZIFVKGTF-AFESJLNVSA-N	530.625	3.942	5	1	KHBF	
COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCN3CCCC3=O)c2cc1OC	105112835	IJHQAEUAHYPAPT-UHFFFAOYSA-N	607.712	3.897	5	1	KHBF	
COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(=O)n(Cc5ccccc5[N+](=O)[O-])nnc43)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	299815725	RQSLPIDCZACCJF-CCPYTHJGSA-N	706.712	3.590	5	1	KHBF	
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)O[C@H]1[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1	169302068	AOYYJQCFKBFHRE-WGPGIFDKSA-O	535.573	3.797	5	1	KHBF	
N[C@H](Cc1cc(I)c(Oc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)O	169346234	IMMAGODRQNPGJT-CYBMUJFWSA-N	554.078	3.551	5	1	KHBF	
O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c12	587136030	AFCXEEAMEKMGRH-UHFFFAOYSA-N	564.187	3.823	5	1	KHBF	
Nn1c(SC[C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1	963237797	UTPACXNPNXHPCJ-CUBQBAPOSA-N	553.604	3.750	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)C(=O)NC4=O)[C@@H](OC(C)=O)[C@@H]1O	43920218	DJEHIHYFWKWDGG-MGSXLIAGSA-N	612.422	3.817	5	1	KHBF	
CNC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(CN(C)C)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715700	FLMNWZVJMDRXAF-JDXGNMNLSA-N	588.753	3.891	5	1	KHBF	
COc1ccc2c(c1)c(=O)c1c(NCCCN(C)CCCN3C(=O)c4cccc5cc([N+](=O)[O-])cc(c45)C3=O)ccc3c(=O)n(CCN(C)C)c(=O)n2c31	150584989	MSBJWIUWQPKMRD-UHFFFAOYSA-N	733.782	3.617	5	1	KHBF	
Cc1ccc2nc3ccccc3c([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)c2c1	587304007	YABSWTHPZMDNEN-APFQIPFXSA-N	637.641	3.647	5	1	KHBF	
COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(OC)c(c(c1OC)c24)c65)[C@H](C(C)=O)[C@H]3C(C)=O	2356408406	DYLMNCRRGPXGBV-HOTGVXAUSA-N	544.512	3.700	5	1	KHBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN2CCCC2)c([N+](=O)[O-])cc1OC	4205099	TVPNXXYMEZVHIY-ISKFKSNPSA-N	516.982	3.959	5	1	KHBF	
CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1	587204289	OVYGVNOGQYXQKE-QFIPXVFZSA-N	542.548	3.924	5	1	KHBF	
COC(=O)C[C@@]1(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])c2cccc(F)c2CCN1[C@H]1CCSC1	962717122	UMBDXIFRZDQARP-OWJWWREXSA-N	533.534	3.599	5	1	KHBF	
O=c1nc(N2CCC(CN3CCC4(CC3)OCCO4)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12	1857767092	QXVCAAKXKUMEAH-UHFFFAOYSA-N	514.526	3.639	5	1	KHBF	
CC(=O)N1CCN(C(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc([N+](=O)[O-])cc2)CC1	105176393	JDBZEOZULGMODV-UHFFFAOYSA-N	528.491	3.987	5	1	KHBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@](CCNc3cccc([N+](=O)[O-])c3)(c3ccc(Br)cc3)N2C(=O)[C@@H]2CCCN12	963217470	GFPNXRLNRKXZPB-MCEYFSPLSA-N	565.428	3.584	5	1	KHBF	
CC(C=CC=CC=CC=CC=C(C)C(=O)N[C@H](C(=O)O)[C@H](O)C(N)=O)=CC(C)=C[C@@H]1N=C(C=Cc2ccc[nH]2)O[C@H]1C	2356716556	QLGDZYNEUOCYJB-COTPGQAASA-N	574.678	3.693	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc4c(c3[nH]2)CCCC4)c([N+](=O)[O-])c1	587267031	SMKKUSKPEOTDHO-UHFFFAOYSA-N	557.604	3.979	5	1	KHBF	
C[C@]1(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)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	587297793	KECUGDDNWXHPRR-XJSBJYOESA-N	673.627	3.512	5	1	KHBF	
CCn1c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)CC2)c1=S	1911577233	PVSNENYKLZDWGD-UHFFFAOYSA-N	679.779	3.616	5	1	KHBF	
COc1cc2oc3c(O)c4ccc5cc6c(c(O)c5c4c(O)c3c(=O)c2cc1O)C(=O)N1CCO[C@@]1(C)C6	2356326654	ZBHFQOHVCPGKBZ-NDEPHWFRSA-N	515.474	3.828	5	1	KHBF	
CCS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(c4nc(C(C)C)no4)CC3)c2[N+](=O)[O-])c(F)c1	40392675	CEFDZCHJJUCCBA-UHFFFAOYSA-N	519.559	3.952	5	1	KHBF	
Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1	95541445	JJCPGROGSAQLTM-DTXPUJKBSA-N	836.808	3.732	5	1	KHBF	
COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(N[C@H]3CCCCNC3=O)c2cc1OC	105119348	OXVMUKUCXLBBKF-FQEVSTJZSA-N	565.631	3.566	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=S)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](O)[C@]1(C)O	254120023	OOJTYDINEPIOAJ-QNRVZTLNSA-N	972.253	3.556	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587265486	FOBXAPYDEQCNPD-PUAOIOHZSA-N	622.620	3.512	5	1	KHBF	
O=C(O)c1ccc2c(c1)[C@H](SCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1CO2	3923147	XBRIDFAVLXDLOQ-JOCHJYFZSA-N	500.554	3.987	5	1	KHBF	
CCN(CC)CCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(OC)c(OC)cc1[N+](=O)[O-]	4054827	JIAZDGFISOJGIB-GMAHTHKFSA-N	504.971	3.815	5	1	KHBF	
O=C(Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(F)c1)c1ccccc1[N+](=O)[O-]	28713074	VDJMLFCOCKKSFT-MUUNZHRXSA-N	581.555	3.566	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c([N+](=O)[O-])c1	587265795	HKOIABYJDWLSSJ-UHFFFAOYSA-N	607.930	3.514	5	1	KHBF	
O=C1CCCCCC(=O)NCCCN2CCN(CCCn3c(=O)c4ccc5c6ccc7c(=O)n(c(=O)c8ccc(c9ccc(c3=O)c4c59)c6c78)CCCN3CCN(CCCN1)CC3)CC2	1857760941	JIOOTQUFYTWPBY-UHFFFAOYSA-N	881.091	3.955	5	1	KHBF	
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	587127285	VJHRCPPDSXYLCR-YDPTYEFTSA-N	939.909	3.802	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3cnc4ccccc4c3=O)c2c1	587620268	BHUUYOKNPAQPOJ-UHFFFAOYSA-N	505.512	3.893	5	1	KHBF	
COCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1c1ccccc1[N+](=O)[O-]	26486317	PAZGEZOYQJAMMB-NJEMLTPYSA-N	599.618	3.638	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906886	FVLITXWQIQHAHI-BRPQBWOASA-N	581.666	3.868	5	1	KHBF	
O=C(O)[C@H]1Cc2c(ncn2Cc2ccccc2)CN1C(=O)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	26977660	SWBDFMZTUOWZHG-RUZDIDTESA-N	541.520	3.918	5	1	KHBF	
CC(C)c1noc(C2CCN(c3ncnc(Nc4ccc(S(C)(=O)=O)c(F)c4)c3[N+](=O)[O-])CC2)n1	40865597	PTKUOLRNYVRZEL-UHFFFAOYSA-N	505.532	3.561	5	1	KHBF	
N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@H]1c1cc(Br)ccc1[N+](=O)[O-]	963688722	VBRVPHIAYFKTEA-PMVMPFDFSA-N	540.370	3.560	5	1	KHBF	
CN(C)CCOCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	104962506	VZHRUUMLVBMIRO-QFIPXVFZSA-N	558.682	3.872	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ncn(Cc4ccccc4)c3N)c(N)c2c1	587621045	MHKNUUOYCPXRLE-UHFFFAOYSA-N	533.570	3.962	5	1	KHBF	
COCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	26485385	RVVLRTCRCNJNJP-CHTIKVTKSA-N	599.618	3.638	5	1	KHBF	
CO[C@@H]1[C@@H](CO)O[C@H](n2c3c(Cl)cccc3c3c4c(c5c6cccc(Cl)c6[nH]c5c32)CN(C)C4=O)[C@H](O)[C@H]1O	195237035	HQZPJMNVPRNXOF-RZHXCLHVSA-N	570.429	3.948	5	1	KHBF	
CCCc1c(OC[C@H](O)CN2CCN(Cc3ccc(Cl)cc3)CC2)ccc2c(O)c([N+](=O)[O-])c(=O)oc12	29232345	NZDYMGLQYJHAGD-LJQANCHMSA-N	531.993	3.570	5	1	KHBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H](n2cnc3c(I)nc(Cl)nc32)OCc2ccccc21	66076412	XKMWUXQZKBCWAX-MRXNPFEDSA-N	612.793	3.917	5	1	KHBF	
COc1ccc2c3c1O[C@H]1C(=O)CC[C@]4(NC(=O)/C=C\c5ccc([N+](=O)[O-])cc5)[C@@H](C2)N(CC2CC2)CC[C@@]314	169692603	HIVXXDSZTCJSFW-GPFDCBMJSA-N	529.593	3.574	5	1	KHBF	
NC(=O)[C@@H]1CSC[C@]12c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21	963228869	FEPMEIXMQBJNTA-HUOGWEQVSA-N	620.596	3.513	5	1	KHBF	
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OCCOCCNC(=O)Cn1cnc([N+](=O)[O-])n1	1857570411	WZDZUXUFHGWMFV-UHFFFAOYSA-N	595.375	3.539	5	1	KHBF	
CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC	4153599	YHZSHMJPLJEUGU-DEHSDUGISA-N	515.563	3.626	5	1	KHBF	
C[C@@H]1COc2c(N3CCc4ccccc4[C@@H]3C(=O)NC(C)(C)C)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23	29127295	RYBFFIKRPCLJHF-BFUOFWGJSA-N	538.532	3.719	5	1	KHBF	
Nc1ccccc1CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82075168	XSBXEMUZSFRYTO-QFIPXVFZSA-N	501.568	3.958	5	1	KHBF	
Cc1cc2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc2cc1[N+](=O)[O-]	586942763	IWTCSIGEAJWOAH-UHFFFAOYSA-N	518.187	3.826	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O	4204614	UFQGZYUVCYATRW-NQSCKRDGSA-N	500.939	3.524	5	1	KHBF	
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1c1cccc([N+](=O)[O-])c1	26492513	PEYKQVVXKMVFFG-ZYBJGNRLSA-N	541.538	3.578	5	1	KHBF	
CCOC(=O)C1=C(CCn2ccnc2)N=C(CCn2ccnc2)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	81135267	CQBXOXSEJDUBOV-BJKOFHAPSA-N	534.573	3.703	5	1	KHBF	
C[N+](C)(CCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O	13795099	JETOCZPMQILAAM-UHFFFAOYSA-N	534.701	3.682	5	1	KHBF	
C[C@H]1[C@@H](NC(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C	105163092	JMAAHXRXOXKQFH-SQOJHYPKSA-N	506.607	3.554	5	1	KHBF	
CC[C@H](C)C[C@@H](C)/C=C(/C=C(C)/C=C/C=C/C=C/C=C/C=C/c1cc2c(c(=O)o1)[C@H](O)[C@@H](O)[C@H]([C@@H](O)[C@@H](O)CO)O2)C(=O)O	169370534	GDSQFNQIWJCATH-QDDLBSPWSA-N	612.716	3.777	5	1	KHBF	
CN1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]2Cc3c(cccc3OC(=O)C(C)(C)C)C[C@H]21	28949864	BXSFKFRTCWHCLY-XLGIIRLISA-N	534.657	3.930	5	1	KHBF	
CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1cccc([N+](=O)[O-])c1	105163550	YAPFYQIHOBGFPZ-UHFFFAOYSA-N	537.573	3.908	5	1	KHBF	
CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@H]1c1cccc2nc3ccccc3nc12	961956070	XUNQHXBVQWLMHC-QMOZSOIISA-N	559.626	3.564	5	1	KHBF	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1[C@@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963227217	FSYHDSBCOKFQFW-RPLLCQBOSA-N	525.477	3.881	5	1	KHBF	
CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5	101141181	JNSXETCCDYBEEE-ODGCDXHBSA-N	531.609	3.574	5	1	KHBF	
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)[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)CN(C(=O)NC(C)C)[C@H](C)[C@@H](O)[C@]1(C)O	169365137	ZGFKLTQYAIUEQR-QEYCUNLNSA-N	839.037	3.820	5	1	KHBF	
C[C@@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)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	587290362	KPNANIDIMUMGJH-LIKWMBQFSA-N	719.671	3.524	5	1	KHBF	
O=C(NCCCC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)O)OCc1ccccc1	82085009	RFKMRXGXLPIMFV-LJQANCHMSA-N	512.544	3.998	5	1	KHBF	
CCOC(=O)c1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)nn(-c2cccc([N+](=O)[O-])c2)c1-c1ccccc1	95594844	LDQWXAQCCSMWHN-UHFFFAOYSA-N	535.538	3.524	5	1	KHBF	
COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC	4045765	BCTKINJQCBTBMS-NAKRPHOHSA-N	562.579	3.857	5	1	KHBF	
CC/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1	64245772	LWQGKQKJVHYXAZ-UNOMPAQXSA-N	520.590	3.964	5	1	KHBF	
COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCN(c3ccccc3[N+](=O)[O-])C[C@@H]2C)[C@H]1c1ccc(F)c(F)c1	3950686	JCWKQYAUPMXURC-GKVSMKOHSA-N	586.596	3.697	5	1	KHBF	
O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])cc2c1=O	44387613	VZCPQKYPFXRGEP-UHFFFAOYSA-N	546.511	3.787	5	1	KHBF	
O=C(N[C@H](COCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085935	VLTPXLMCVVZCGL-HXUWFJFHSA-N	506.540	3.943	5	1	KHBF	
COc1cc2c(cc1OC)CN(S(=O)(=O)c1ccc(-n3cc(COc4ccc([N+](=O)[O-])cc4)nn3)cc1)CC2	169340292	QXGGHPJENUFHEV-UHFFFAOYSA-N	551.581	3.519	5	1	KHBF	
COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccncc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12	254135508	QIFGLWSLSZQTRM-MBHZRMRWSA-N	544.589	3.752	5	1	KHBF	
CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1N	4080074	KYWBBWOXVZNIDJ-ILBGXUMGSA-N	504.499	3.713	5	1	KHBF	
O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4208080	GRUOIIXCIJZHHN-UODBTFMRSA-N	523.929	3.789	5	1	KHBF	
COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)Nc2ccc(F)cc2)=C(C)N=3)cc1	98083360	NSCGIOUEOPPLTD-XSZPGNIMSA-N	544.564	3.930	5	1	KHBF	
O=C(Oc1ccc2ccccc2c1[C@@H]1Oc2cc(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)c1cccc([N+](=O)[O-])c1	587297884	KTYHVRDFLSREKU-XIOHVMQNSA-N	737.670	3.918	5	1	KHBF	
NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(S(=O)(=O)c1ccc(Br)cc1)C2	103257840	BNMPYMXTXANAEJ-UHFFFAOYSA-N	571.456	3.579	5	1	KHBF	
CCOC(=O)C1=C(N)OC2=C([C@@H]1c1ccc([N+](=O)[O-])cc1)[C@]1(CCC2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963234630	QWSFFJOUSVJOOV-WPJFONKGSA-N	556.575	3.923	5	1	KHBF	
CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCOc2ccccc2)cc1	4044717	UIJFNEBKLOYAOI-RSXGOPAZSA-N	518.526	3.677	5	1	KHBF	
C[C@@H]1CN(c2cnn(Cc3cccc(NC(=O)Nc4ccc(F)cc4[N+](=O)[O-])c3)c(=O)c2Cl)C[C@@H](C)N1	49722828	COZVBPZWDBNQBO-HUUCEWRRSA-N	529.960	3.823	5	1	KHBF	
C[C@]12CC[C@@H]3[C@H](CC=C4C[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@@]43C)[C@H]1CCC2=O	586906139	BWNPGHQRDSVGGF-GZEPIUMMSA-N	581.666	3.868	5	1	KHBF	
COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3c2)cc1	587265036	BRNFLFCGLYWEQG-XMHCIUCPSA-N	542.530	3.723	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CN3C(=O)c4ccccc4C3=O)c2c1	587621067	OEZREWDORZUHEZ-UHFFFAOYSA-N	520.523	3.990	5	1	KHBF	
COc1ccc2c3c1O[C@@]1(C)C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc([N+](=O)[O-])cc5)[C@H](C2)N(CC2CC2)CC[C@]341	26841636	GRBDXJJTUGORBA-GNOOYPLCSA-N	543.620	3.964	5	1	KHBF	
CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccc([N+](=O)[O-])cc1	27656503	IXSWGSBIIPUDTB-QKFRLBDFSA-N	629.615	3.531	5	1	KHBF	
CC(=O)O[C@@H]1[C@H](C)O[C@H]([n+]2ccc3c(C)c4[nH]c5ccc(O)cc5c4c(C)c3c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	43504485	AOYYJQCFKBFHRE-JMCXNUFOSA-O	535.573	3.797	5	1	KHBF	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1	66252584	FAKXPYJYDQFFFP-BFXDSYMESA-N	589.603	3.826	5	1	KHBF	
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1	42835101	HBJANPVGVPJJER-ZPGRGFNWSA-O	563.650	3.976	5	1	KHBF	
CSc1ccc(S(=O)(=O)NCc2nc3c(Br)cnc(Br)c3[nH]2)cc1[N+](=O)[O-]	586940564	AIDRQISOOPKSLK-UHFFFAOYSA-N	537.215	3.592	5	1	KHBF	
NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1	473179108	UMEDGXJLECGVPB-UHFFFAOYSA-N	513.539	3.966	5	1	KHBF	
C[C@@]12Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@@H](C4)[C@]3(NC(=O)CCc1ccc([N+](=O)[O-])cc1)CCC2=O	195248899	PDLDCRKROORTJW-WBWZXODPSA-N	531.609	3.580	5	1	KHBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1nc(Cl)cc(Cl)n1)C(Cl)(Cl)Cl	1857579086	KYSUQCCDONNLEH-SNVBAGLBSA-N	507.549	3.731	5	1	KHBF	
Cc1ccccc1[C@H](N)Cn1c(=O)c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(C)n(Cc2c(F)cccc2F)c1=O	1857636431	YKLABDGJOBXILC-GDLZYMKVSA-N	604.658	3.884	5	1	KHBF	
COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	4045863	YZXCBYQQEPOFQI-IXCJQBJRSA-N	562.579	3.857	5	1	KHBF	
CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149116	JXVMELXULIXXEI-IHJXWSBQSA-N	506.607	3.839	5	1	KHBF	
CNC(=O)[C@H]1C(C)=NC(C)=C(C(=O)NCCCN2CCC(C(=O)OC)(c3ccccc3)CC2)[C@H]1c1ccc([N+](=O)[O-])cc1	169715692	AGNYFINNIVFBHA-XCZPVHLTSA-N	589.693	3.502	5	1	KHBF	
NS(=O)(=O)c1ccc(-n2c(SCC(=O)Nc3cccnc3Cl)nc3cc4ccccc4cc3c2=O)cc1	1857745547	YHDFSMJSJASIQH-UHFFFAOYSA-N	552.037	3.966	5	1	KHBF	
COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1	4052358	YUAACLCTYUAECG-AZGAKELHSA-N	519.510	3.791	5	1	KHBF	
CO[C@@H]1[C@H](NC(=O)CCOCCOCCOCCOCN)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	87515296	DTWUHUOPQPMWEM-KTDPSVJKSA-N	685.778	3.624	5	1	KHBF	in-vitro
O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cc([N+](=O)[O-])cnc2[nH]1)OCc1ccccc1	587220955	HFYNDPRPUIBEDL-WUFINQPMSA-N	621.654	3.748	5	1	KHBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@H](C2(c4ccc(O)cc4)CCCC2)[C@@H]1O)[C@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@]3(O)CO	2356565335	ACAPZJJFQZHIQT-NLMUUNDKSA-N	752.861	3.891	5	1	KHBF	
COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)c1	769798	YZXCBYQQEPOFQI-XCZPVHLTSA-N	562.579	3.857	5	1	KHBF	
O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[N+]([O-])(C2CCCCC2)CC1)[C@@H]1Cc2ccccc2CN1	28371859	NWGXAOKKVYGEMQ-RRPNLBNLSA-N	525.093	3.571	5	1	KHBF	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cn(C(=O)CNc2ccc([N+](=O)[O-])cc2C)c2ccccc12	73223954	NDJWXJZDMUUAFK-QHCPKHFHSA-N	507.572	3.966	5	1	KHBF	
COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NC[C@H](O)CO)c([N+](=O)[O-])cc1OC	104326362	LQYYFISORCOGNZ-IBGZPJMESA-N	579.562	3.605	5	1	KHBF	
Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)NC(=O)OC(C)(C)C)cc1	586931809	FLNDGUBZWMYNSO-INIZCTEOSA-N	577.639	3.637	5	1	KHBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1	587265014	BPRRYPOOQAZMGF-RBZFPXEDSA-N	599.543	3.836	5	1	KHBF	
COC(=O)C[C@@]1(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])c2cccc(F)c2CCN1[C@@H]1CCSC1	962717117	UMBDXIFRZDQARP-MYYSRTQBSA-N	533.534	3.599	5	1	KHBF	
CN(C)CCN(C[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1cc([N+](=O)[O-])c2cccnc2c1O	1857770291	FOIPLWZZGBWJPX-HXUWFJFHSA-N	517.630	3.732	5	1	KHBF	
COc1cc2c3c4c(cc(OC)c5c(=O)c6c(c(c7c(C[C@H](C)O)c(O)c(=O)c1c37)c54)C[C@@H](C)O6)OCO2	2356284175	QSBYREFKKOWKSI-WDEREUQCSA-N	516.502	3.594	5	1	KHBF	
Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C	587265484	FOBXAPYDEQCNPD-IVCQMTBJSA-N	622.620	3.512	5	1	KHBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1	587265530	FXETZHDWDKNECQ-MYUZEXMDSA-N	588.625	3.913	5	1	KHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3sc1c1c2c2cc(F)c(F)cc2n1[C@H]1O[C@@H](CF)[C@@H](O)[C@@H](O)[C@H]1O	38363214	LEHQLDQOIPATGT-NJQXDZONSA-N	578.471	3.552	5	1	KHBF	
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1	587127145	SPPCKODDAFCEAZ-XWRHLKSWSA-N	939.909	3.802	5	1	KHBF	
C[C@@](O)(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	1857590440	NXMJKPOCTYBUHZ-MRXNPFEDSA-N	500.373	3.796	5	1	KHBF	
COc1cccc(CNC(=O)[C@H]2CCCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)c1OC	82081150	UGUGDGLDOSSZQI-SFHVURJKSA-N	510.572	3.904	5	1	KHBF	
CC(=O)NCCNc1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1	82150216	YSCDKLJLSJECAR-UHFFFAOYSA-N	502.453	3.549	5	1	KHBF	
CCOC(=O)c1cc(Br)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1	587265556	WDYHXHXMCUBPJY-XXFAHNHDSA-N	508.285	3.853	5	1	KHBF	
C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@H]3c3cn4cccc([N+](=O)[O-])c4n3)c(O)c2C(=O)O1	962937518	SJQALTLOXBEOJY-VJHPCUNCSA-N	576.949	3.944	5	1	KHBF	
COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC	4044746	YGBKVHSUCLKDMZ-BDYUSTAISA-N	534.569	3.965	5	1	KHBF	
C[C@@]12Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@H](C4)[C@]3(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CCC2=O	26934930	RIXFPTSTMBDFAF-MTDQOHCRSA-N	529.593	3.661	5	1	KHBF	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c([N+](=O)[O-])c1	587266803	PACYGTSWCMUZLC-UHFFFAOYSA-N	582.954	3.662	5	1	KHBF	
O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)[C@H]1[C@@H](c1ccc(O)cc1)O3	587284666	ZFJYOYWVVXCGSN-AVZIZDPMSA-N	752.523	3.541	5	1	KHBF	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccc([N+](=O)[O-])cc1[C@@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963227219	FSYHDSBCOKFQFW-SHQCIBLASA-N	525.477	3.881	5	1	KHBF	
COc1ccccc1[C@@H](N)Cn1c(=O)c(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(C)n(Cc2c(F)cccc2F)c1=O	1857630582	PILVPEAXHKHBEI-NDEPHWFRSA-N	620.657	3.584	5	1	KHBF	
Cc1c(O[C@@H](C)[C@]2(C)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)ccc2c1oc(=O)c1ccccc12	587312648	BOUMWESKAHLHFA-LZIDAMSZSA-N	712.704	3.690	5	1	KHBF	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148801	APMJDAGIJYKAFK-OAQYLSRUSA-N	502.575	3.724	5	1	KHBF	
CCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1c1cccc([N+](=O)[O-])c1	26480832	ILDJWJJEIUQQFH-CYBWEPMMSA-N	555.565	3.969	5	1	KHBF	
COc1cc2nc(N3CCCN(C(=O)CCCc4ccc([N+](=O)[O-])cc4)CC3)nc(N[C@H]3CCCCNC3=O)c2cc1OC	105125896	SGHUCQRQSDIRPR-DEOSSOPVSA-N	605.696	3.697	5	1	KHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3cnn(C)c3)c2c1	587620191	RRBUXQHZYKJJBV-UHFFFAOYSA-N	505.459	3.788	5	1	KHBF	
O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O	103289382	OUTJNKJUSAKCSW-UHFFFAOYSA-N	565.007	3.954	5	1	KHBF	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3cc([N+](=O)[O-])ccc3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	28771848	ZYUFVVMRWQDFFL-ZAJAUZIHSA-N	536.493	3.840	5	1	KHBF	
COC(=O)c1cc(Br)c2[nH]c(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	587265789	HKGJNOBSNJIQOW-UHFFFAOYSA-N	640.444	3.649	5	1	KHBF	
CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)OCCCn1ccnc1[N+](=O)[O-]	1772610808	XOJSYESCDUJJQZ-LJAQVGFWSA-N	589.561	3.704	5	1	KHBF	
CNC[C@@H]1C[C@@H]2C[C@]3(O)[C@H](O[C@@H]2[C@H](C2(c4ccc(O)cc4)CCCC2)[C@@H]1O)[C@@H](C(=O)Oc1c(CO)[nH]c2ccc4cc5ccccc5cc4c12)O[C@]3(O)CO	2356565336	ACAPZJJFQZHIQT-NQKUUVRMSA-N	752.861	3.891	5	1	KHBF	
CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82135369	HKHQMDAPUYTXQN-OAQYLSRUSA-N	502.575	3.724	5	1	KHBF	
CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1N1CCCC1	587621631	YAHXHILMGXXCQM-UHFFFAOYSA-N	502.549	3.591	5	1	KHBF	
O=C(NCCCN1CCCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4205094	OIPDTCANNZZZBG-FYYLOGMGSA-N	500.939	3.671	5	1	KHBF	
Cc1ccc(Oc2ccc([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)cc2[N+](=O)[O-])cc1	587297870	KPMSFYLXUYSGLJ-XJSBJYOESA-N	673.627	3.646	5	1	KHBF	
CCN(CCNC(=O)c1cccc2c(=O)c3cc([125I])ccc3[nH]c12)CCOc1cccnc1F	102844853	OIYVYFZRMBJLLU-ALRLDUCRSA-N	572.395	3.951	5	1	KHBF	
O=C(O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1OC(=O)c1ccc(F)c([N+](=O)[O-])c1)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1	169344561	FTYFPULTQVDRDF-JTJHUBJQSA-N	614.558	3.637	5	1	KHBF	
CO[C@@H]1[C@H](CO)O[C@H](n2c3ccc(Br)cc3c3c4c(c5c6cc(Br)ccc6[nH]c5c32)C(=O)N(C)C4=O)[C@@H](O)[C@@H]1O	49863817	DEZGMCLFUSECBD-ANWLIDRISA-N	673.314	3.806	5	1	KHBF	
COC(=O)[C@H]1C[C@]23C(=NC(c4ccc([N+](=O)[O-])cc4)=C(C(F)(F)F)[C@@H]2N(C)c2ccccc23)N1C(C)=O	66167095	STOSLYZGNWZDMV-UTSGNWPNSA-N	514.460	3.831	5	1	KHBF	
Cc1ccc2c(ccn2C[C@@H]2C/C=C/[C@H](c3ccc([N+](=O)[O-])cc3)[C@H](CC(=O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H](CC(N)=O)C(=O)NC2)c1	150538538	FWCDFTKTRAVEGX-YUAXJFSXSA-N	700.793	3.604	5	1	KHBF	
O=C1[C@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@H]2C(=O)N1c1ccc(Cc2ccc(N3C(=O)[C@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@H]4C3=O)cc2)cc1	150632918	YTZJGIKAFJBQHL-AKAXLSRLSA-N	686.593	3.679	5	1	KHBF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc1-2	587269744	NSBWDVBYYLWIGU-UHFFFAOYSA-N	548.502	3.642	5	1	KHBF