smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(I)c1OC(C)=O	725083	YZWSVXUTBXAWOO-PXNMLYILSA-N	536.278	4.176	5	40	KIBB	
COc1ccc(CCNc2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)ccc2[N+](=O)[O-])cc1OC	8818231	OCPJWLIIMOOVGL-UHFFFAOYSA-N	508.550	4.368	5	40	KIBB	
CS(=O)(=O)c1ccc(NCCCSc2nnc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)o2)c([N+](=O)[O-])c1	98048364	LKOQHMGZWSHSGO-UHFFFAOYSA-N	595.725	4.207	5	40	KIBB	
COc1ccc([C@@H]2N[C@@H](c3ccc(OC)c(Cn4cc([N+](=O)[O-])cn4)c3)[C@H]3CCC[C@@H]2C3=O)cc1Cn1cc([N+](=O)[O-])cn1	101570281	LRBUOYLSQVFZDL-BXCBQBLLSA-N	601.620	4.381	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1	105500657	NVOOKZVHGVMRJJ-CMISJSSVSA-N	555.612	4.286	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225737350	CUTCUEFZMVSXQR-HRAATJIYSA-N	603.525	4.398	5	40	KIBB	
CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)ccc1Cl	408529565	ILGOLTAMCHGRIT-FBHDLOMBSA-N	602.025	4.071	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc4c(Cl)cccc34)CC2)c([N+](=O)[O-])c1	408576177	VOEQNQQBUIMYMD-UHFFFAOYSA-N	527.002	4.415	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1	408776076	MYUPVJBVWCHIMJ-RWTNITNYSA-N	592.611	4.469	5	40	KIBB	
O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1	409167077	JANISRFQXBXWQR-UHFFFAOYSA-N	537.335	4.033	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409181042	ZGXIEPDWJZDJSQ-GVMLUORFSA-N	587.610	4.062	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1	9186579	ZGETZZNNHXRIDU-ZJSPYRCASA-N	507.502	4.070	5	40	KIBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1	12428860	QUJSPACNMFCDJP-UHFFFAOYSA-N	524.643	4.122	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	103405119	PRRZHURSYHYCDH-ZPVURNRZSA-N	570.671	4.482	5	40	KIBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc(Cc2ccc(O)c(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2)ccc1O	102507701	MSIWXFRXRBTOKC-UHFFFAOYSA-N	580.465	4.106	5	40	KIBB	
COc1ccc(O)c(C(=O)c2cnn(-c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[N+](=O)[O-])c2)c1	102988368	OVRILIVJKDDRHT-UHFFFAOYSA-N	528.930	4.180	5	40	KIBB	
COc1cccc(NC(=O)COc2ccc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)c1	12602415	BTSRWEAQDXVTNO-UHFFFAOYSA-N	513.890	4.070	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2c(F)cccc2F)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	101094504	RDMTWBZWVVXBKB-QLTSDVKISA-N	508.525	4.344	5	40	KIBB	
CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224310250	CGRUTDAEJDHUBJ-HSZRJFAPSA-N	565.092	4.189	5	40	KIBB	
CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@@H]2C=Cc3c(ccc4ccccc34)N21	230050609	BGGHYNLSYCAQES-RBVMOCNTSA-N	517.925	4.354	5	40	KIBB	
CC1=C(C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)O[C@@H]2CCC[N@+](C)(Cc3ccccc3)C2)=C(C)N1	263583894	DGVVISBYHUXFIU-RBJPJBLUSA-O	506.579	4.267	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408689290	YBXYDNKNDVNSCO-XMCHAPAWSA-N	500.349	4.336	5	40	KIBB	
COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-]	100907957	BIFKSNWBQFHIFW-QARYAGPDSA-N	540.557	4.144	5	40	KIBB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	101231549	JNQMUKCDYNLRIY-QUMGSSFMSA-N	537.528	4.170	5	40	KIBB	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br	102884745	RJTYUCOHLBWUEK-BDTNDASRSA-N	569.324	4.325	5	40	KIBB	
COc1c(C)cc(Br)cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	110304104	XTLSAYHMUXGEPC-UHFFFAOYSA-N	527.828	4.165	5	40	KIBB	
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)cc1)[C@@H]1CCCN12	408564012	BZJATXMPIMSNCY-FCRYVSRXSA-N	500.511	4.228	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4ccc(Br)cc4C3=O)c(C)c2)CC1=O	408664157	NTVRXNZCVLBQTJ-OAHLLOKOSA-N	594.374	4.433	5	40	KIBB	
O=[N+]([O-])c1ccc(NN2Cc3cc4c(cc3C2)CN(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C4)c([N+](=O)[O-])c1	408721310	OLSACEUTRSRGSQ-UHFFFAOYSA-N	522.434	4.005	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(I)c3)C2=O)o1	409400732	QKROLBXYMAPGAH-ODLFYWEKSA-N	603.325	4.251	5	40	KIBB	
COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	3304084	OKMSZNLKJBUPOC-UHFFFAOYSA-N	524.869	4.281	5	40	KIBB	
Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c([N+](=O)[O-])cc1C	12566465	HLTKKYKRQAIYPA-GOSISDBHSA-N	523.567	4.147	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(Cl)cc1Cl	408644479	RNCJXIHHLVEKDU-BQLROHOASA-N	540.359	4.195	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n32)cc1OCC	408939028	SVVGTQDIYJSQBL-MKTOWPBFSA-N	646.634	4.424	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@H]1c1ccccc1OC	409108591	VKPYEENYCNYYRD-CZLAYTOTSA-N	603.745	4.401	5	40	KIBB	
Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)n3N)n2)cc1[N+](=O)[O-]	409154608	KNAPYVPWCVXUMJ-UHFFFAOYSA-N	501.981	4.383	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	409201036	UNTXVGKDZMPKDN-SRZZPIQSSA-N	500.529	4.418	5	40	KIBB	
COc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)c(C)cc1[N+](=O)[O-]	103071199	NBRQWUBCYVCUIF-UHFFFAOYSA-N	593.964	4.167	5	40	KIBB	
CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1	105316868	FIXUWUKEGMCHRT-UHFFFAOYSA-N	538.674	4.161	5	40	KIBB	
Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)n2C)c1	166332357	LWWKANXWYNKNTF-UHFFFAOYSA-N	537.627	4.124	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224762280	OHBINOQJUAVTMC-VWLOTQADSA-N	505.571	4.147	5	40	KIBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	409172318	CIGSAJGCBMSFES-CFRMEGHHSA-N	592.586	4.305	5	40	KIBB	
CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1	14276906	DCCJSNNJIMBVOY-UHFFFAOYSA-N	507.572	4.040	5	40	KIBB	
C[C@H](C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)N1C(=O)c2ccccc2C1=O	103088423	CGQRGUDETYXQMQ-SZNDQCEHSA-N	552.337	4.265	5	40	KIBB	
O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	105316076	CDKRITZALSTDGT-UHFFFAOYSA-N	558.664	4.284	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(Cc2ccncc2)cc1	223526492	LIHMOIPTFMRZAB-UHFFFAOYSA-N	502.552	4.415	5	40	KIBB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223566572	CBYXIFZIRBRWJH-FQEVSTJZSA-N	603.525	4.398	5	40	KIBB	
O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1cccc([N+](=O)[O-])c1	408647909	BXWNZGZCVMAPTB-PJYWLYPCSA-N	522.344	4.127	5	40	KIBB	
COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	409172990	KCTRZIXHFWLRTD-UHFFFAOYSA-N	539.840	4.005	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1	6545037	OSHLNEWTTMWVPE-PRLWALMFSA-N	585.638	4.294	5	40	KIBB	
COc1cc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-]	103113488	ASKXLOMYKFKRFH-UHFFFAOYSA-N	533.946	4.162	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O)N1CCCCC1	205815181	QJZKNDKSUFQWNY-UDWIEESQSA-N	512.500	4.344	5	40	KIBB	
CCCc1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)cc1	224822801	AGYCEEFIOCBMGW-UHFFFAOYSA-N	511.600	4.322	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225454308	UKTYSQOQDODWQR-LJQANCHMSA-N	633.521	4.033	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408650090	ZKBUYSUIVQBCCV-UHFFFAOYSA-N	549.923	4.247	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](c5ccccc5)CC[C@H]4C3=O)cc2)c1	408690023	TVIPMCRWGDVHRI-ZTCOLXNVSA-N	557.559	4.472	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSCc2ccccc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	409028959	VQGIBJMPFXGKIS-UHFFFAOYSA-N	543.667	4.465	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1	409101571	YJWDTUDRTHKREK-WWFXOLRUSA-N	647.735	4.451	5	40	KIBB	
O=C(c1ccc2c(c1)C(=O)N(c1ccccc1[N+](=O)[O-])C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1[N+](=O)[O-])C2=O	8435186	REZDQTSTJXXKFG-UHFFFAOYSA-N	562.450	4.335	5	40	KIBB	
Cc1cc(I)ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	8833181	YSPHVAZMELMZMM-UHFFFAOYSA-N	510.357	4.235	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224884077	OUIZXBAEMAZUFN-NDEPHWFRSA-N	596.706	4.378	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225324720	REDZWWIIFWBMRH-NRFANRHFSA-N	573.499	4.310	5	40	KIBB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(O)n5)c([N+](=O)[O-])c4)c(=O)n32)c1	409107014	OFOJWGSWMJQNHG-GGARDQMFSA-N	663.734	4.067	5	40	KIBB	
CC(C)OC(=O)c1cccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1	409164006	BDOKMIXIBMYRRW-OAQYLSRUSA-N	540.602	4.136	5	40	KIBB	
Cc1nn(-c2ccccc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	16976911	SIYPHTOQGSSHRY-UHFFFAOYSA-N	508.468	4.049	5	40	KIBB	
O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)N1CCN(c2ccccc2)CC1	101385698	SNVHKEWWFYLROP-VWLOTQADSA-N	554.632	4.226	5	40	KIBB	
O=C(CNS(=O)(=O)/C=C/c1ccccc1)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	103063219	MHOKLNQFQQXWMR-YAOQVBECSA-N	529.958	4.062	5	40	KIBB	
CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nn12	105352502	OFCYSFMVQIJGGQ-UHFFFAOYSA-N	536.643	4.441	5	40	KIBB	
O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccc(I)cc1	106738878	WGEDRGYVZOPIQB-SOFYXZRVSA-N	510.265	4.165	5	40	KIBB	
CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222690444	ZJKHMGVPBJDIHW-HHHXNRCGSA-N	601.125	4.427	5	40	KIBB	
CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(OC(F)(F)F)cc1	408605256	LISNVVHHUDDGIX-ONNFQVAWSA-N	536.419	4.281	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CC=C(C)C[C@H]4C3=O)cc2)c1	408646814	UQNFYKICKOJBAO-RRPNLBNLSA-N	597.580	4.404	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1	408780229	VWLSMEHIJQBTHK-FUFNRSNVSA-N	603.628	4.433	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1	409157603	WDHXPIOGBRQPNW-KEQCBNTKSA-N	559.600	4.202	5	40	KIBB	
C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	409354498	GOHPPSQAKKZLMF-LLVKDONJSA-N	509.375	4.252	5	40	KIBB	
O=c1c2ccccc2nnn1CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	103053774	XXVNXQGXTMGHNL-UHFFFAOYSA-N	539.879	4.225	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(OC)cc1OC	104350956	UDKHSNAHHNWCJE-GKPLWNPISA-N	530.581	4.089	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1	112254024	SFKHRLLZTJXOSJ-UHFFFAOYSA-N	551.362	4.342	5	40	KIBB	
CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223439537	VMPYIAISMOAZER-XMMPIXPASA-N	633.123	4.323	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223665371	NLJSSDQZQAZVHI-VWLOTQADSA-N	637.542	4.452	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)S(C)(=O)=O	225323098	SKSBTSQCCVMIFU-UHFFFAOYSA-N	509.997	4.260	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225527864	DGTSCROGCUQNBR-PMERELPUSA-N	600.697	4.485	5	40	KIBB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1	408682474	GNJUFGPVFXYSKB-WZCPEYNJSA-N	539.544	4.320	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c2=O)=N1	409035055	ISJYQGCSNRUKLD-DKOMQPSQSA-N	602.065	4.166	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C)c([N+](=O)[O-])c4)c(=O)n32)cc1	409077187	CSWIMXOBPONNLP-SJJVXOANSA-N	540.601	4.099	5	40	KIBB	
CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409130241	GUVKPQLDSJZSPZ-VGSWGCGISA-N	510.620	4.303	5	40	KIBB	
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c1	102755400	XXNYYPINKCEHAO-YPAWHYETSA-N	524.327	4.417	5	40	KIBB	
CCCn1/c(=N\C(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	103001439	XZSMUJSKQLOUPU-WMMMYUQOSA-N	522.989	4.174	5	40	KIBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223726333	PGHLXDURCWXXSI-QFIPXVFZSA-N	564.664	4.266	5	40	KIBB	
CC(C)n1c(=O)sc2cc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)ccc21	225136080	SCOGMRHXNVWWNQ-UHFFFAOYSA-N	526.596	4.386	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260910683	CZAPFRRURVKBGU-JOCHJYFZSA-N	614.696	4.436	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	261044559	ZCVMSYJRJSJKFC-PKTZIBPZSA-N	626.732	4.448	5	40	KIBB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408683536	LNPFBQMOXBPYNY-IRXDYDNUSA-N	502.310	4.093	5	40	KIBB	
CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nn12	105308143	MRZNMWZUNSKEBU-UHFFFAOYSA-N	533.595	4.388	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21	247310104	ICJHQWJPYHPIFN-XQUALCHDSA-N	514.925	4.277	5	40	KIBB	
O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc([N+](=O)[O-])cc1	408656802	MJGHCGAJZJCKBT-XWYWGPMTSA-N	537.355	4.231	5	40	KIBB	
COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1	408660266	NGTJKNOWABZCSF-GOSISDBHSA-N	519.510	4.239	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409104550	FRODENFAVNHWEA-RNECYNAXSA-N	663.734	4.069	5	40	KIBB	
CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C	409353535	MSZFBFJDSFEICJ-PKNBQFBNSA-N	514.995	4.228	5	40	KIBB	
Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	3392830	LUGQBAXAUZNCAT-UHFFFAOYSA-N	507.446	4.217	5	40	KIBB	
O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22843969	SXVWYZCIXRUJCD-UHFFFAOYSA-N	519.539	4.072	5	40	KIBB	
Cc1nn(Cc2nc3c4sc5nc(C(F)(F)F)cc(-c6cnn(C)c6C)c5c4ncn3n2)cc1[N+](=O)[O-]	98046273	NJWBCJMLTGTIEV-UHFFFAOYSA-N	528.480	4.076	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	100304631	UMDHZCLMEYDAPI-RGFRMHDHSA-N	585.638	4.294	5	40	KIBB	
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[C@H](C(=O)c1ccncc1)[C@H]1OC(=O)c2ccccc21	102933241	KHVQTKNNPACEFM-UWJYYQICSA-N	514.277	4.215	5	40	KIBB	
CC(=O)[C@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n12	105543138	PIOCSBHMIJQMNL-SPFYBYSTSA-N	565.991	4.009	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	205783633	GNAQBLXTOUHLJW-DJKKODMXSA-N	517.472	4.292	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	248113668	OPHQUYPJAKIGPB-ZYQDXHPFSA-N	524.489	4.210	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	260810871	UFZYHRVGDZBPDD-MRXNPFEDSA-N	573.499	4.308	5	40	KIBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261049406	ZTVASWIXIBPFRD-IERDGZPVSA-N	603.525	4.398	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408649053	ZGJIZRHCHPVJTI-OAHLLOKOSA-N	519.897	4.316	5	40	KIBB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1C	408651200	NGRMAYWIRLWBRA-OAQYLSRUSA-N	516.506	4.210	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCOCC4)c(=O)n32)cc1	408847153	LYCFIVVKMLYTQQ-ZJZHBOIVSA-N	625.707	4.017	5	40	KIBB	
O=C(CN1C(=O)c2ccc(Br)cc2C1=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	409180774	VQPVTJGYJOPSOQ-JOCHJYFZSA-N	523.295	4.121	5	40	KIBB	
COc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	1312853	QXBJMINUKGUESN-ZYQDXHPFSA-N	544.951	4.411	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	101100681	FYPNFKXDECGYAK-FSSWDIPSSA-N	540.326	4.123	5	40	KIBB	
O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1	102909697	OHGYTMIOBCQNSH-UHFFFAOYSA-N	524.429	4.160	5	40	KIBB	
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105321939	DYABZAUUKSJMGJ-UHFFFAOYSA-N	550.015	4.300	5	40	KIBB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC	408624300	GNZQWGJFUDDFOT-UHFFFAOYSA-N	618.668	4.419	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CC=C(C)C[C@@H]4C3=O)cc2)c1	408646815	UQNFYKICKOJBAO-SVBPBHIXSA-N	597.580	4.404	5	40	KIBB	
COc1ccc(N(CC(=O)NCCCCCCNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	197886454	RWDSBNDPZRMJBY-UHFFFAOYSA-N	872.932	4.421	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408730621	SFANXRKZUCTGHK-IZBTWGKQSA-N	687.468	4.285	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1ccc(F)cc1	408774843	DEOZDNGIGJFYTI-DNQIBQKISA-N	624.444	4.451	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1	409001976	RMKSWXYUTOZWES-HZHYMEEXSA-N	603.678	4.280	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc([N+](=O)[O-])cc3)c2=O)=N1	409048950	PNIAGSBFEDSMDO-RQLGBQGVSA-N	542.013	4.149	5	40	KIBB	
Cc1cc(I)ccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1	409159906	VVHDOWVQQKQEJI-IBGZPJMESA-N	594.435	4.484	5	40	KIBB	
O=C(Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br)c1cccc([N+](=O)[O-])c1	714478	OHUSGGLSTLNXLK-UHFFFAOYSA-N	530.194	4.347	5	40	KIBB	
Cc1ccc(-n2c3c(c(=O)[nH]c2=O)C(C(F)(F)F)(C(F)(F)F)NC(c2cccc([N+](=O)[O-])c2)=N3)cc1C	1314464	DNRJMEBGIBBAMM-UHFFFAOYSA-N	527.381	4.052	5	40	KIBB	
Cc1cccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)c1	1893331	FTQZDHQAPCQUQV-HAHDFKILSA-N	506.547	4.435	5	40	KIBB	
CCOc1cc([N+](=O)[O-])c(OCC)cc1N1CCN(c2cc(OCC)c([N+](=O)[O-])cc2OCC)CC1	8383302	GIMWVUCDPWELBB-UHFFFAOYSA-N	504.540	4.424	5	40	KIBB	
CCOC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OCC)C1c1cc(OCC)c(O)c([N+](=O)[O-])c1	35877217	HJIHIGASANNGBO-UHFFFAOYSA-N	514.506	4.332	5	40	KIBB	
CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1	102761444	FQNHOCGMAWGFMS-UBFVSLLYSA-N	503.511	4.226	5	40	KIBB	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]	103086022	YKXFZGYYGSODKT-UHFFFAOYSA-N	564.649	4.358	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1cccc(C)c1	103629585	KJWBPDBSGUESSB-MXNGAVTRSA-N	506.562	4.118	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225436782	YPDZXOJHWWLSTL-NDEPHWFRSA-N	610.733	4.483	5	40	KIBB	
CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c2)CC1	100280907	YBDSWUPMDYRXTQ-UHFFFAOYSA-N	550.538	4.153	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	101019452	KYFUZTFZFVBVRG-SUAMDDGLSA-N	616.608	4.416	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1	101186252	IKQUMOKDPCFEJQ-SDHSZQHLSA-N	519.510	4.149	5	40	KIBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223919280	UYIXMTQZAPWIKE-INIZCTEOSA-N	571.483	4.144	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223988385	KRRBQDOXFQXUKZ-HXUWFJFHSA-N	633.123	4.323	5	40	KIBB	
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408542641	KFUOOIXMRIFSKB-UHFFFAOYSA-N	523.402	4.045	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1OC	408727651	VEFRAIKEVLOQDA-HRIDGTDGSA-N	615.664	4.303	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409097338	NJFMPZUHERNVDO-QYAMMSNYSA-N	624.100	4.315	5	40	KIBB	
C=C(/N=c1/c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc2n1CCCOCC)c1ccc(OC)cc1	102548717	NYCUAQCHPWPSIJ-IKPAITLHSA-N	516.598	4.141	5	40	KIBB	
COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	102763714	JKHDSYGWXDPJOK-ZFGGDYGUSA-N	539.928	4.325	5	40	KIBB	
COc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1-c1cc2ccccc2oc1=O	112242562	ONSQUXJPCICHQH-UHFFFAOYSA-N	560.588	4.340	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)c1cccc([N+](=O)[O-])c1	226403734	WSKQVVGNMZFBIX-ZMYDBKAGSA-N	540.359	4.195	5	40	KIBB	
CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C	409363928	VSCRBRBPCBLPAX-DHZHZOJOSA-N	514.995	4.228	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(C)cc1	6489169	HAYKNEHRYLYMMZ-GVMLUORFSA-N	559.600	4.284	5	40	KIBB	
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])c1	9891893	GSBWLCNSEWICQF-UHFFFAOYSA-N	506.578	4.395	5	40	KIBB	
O=C(c1ccccc1)[C@@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12	18213565	UHTBJYZILVMUJT-GPJHCHHRSA-N	500.898	4.010	5	40	KIBB	
Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59331566	VVIOBUNWEOUTDL-UHFFFAOYSA-N	516.583	4.410	5	40	KIBB	
CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	59331813	QOPXDCKNMKOAJL-UHFFFAOYSA-N	517.055	4.117	5	40	KIBB	
O=C(/C=C/c1ccccc1)Nc1ccc[n+](-c2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	97984624	CNUCDJIVEPRIBD-FOCLMDBBSA-O	553.580	4.267	5	40	KIBB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@H]2[C@H]1[C@H]1C[C@@H]2[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	101175821	SASMKRFOAOLSTI-DTXPVNRKSA-N	535.603	4.031	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223477605	VVPISRXHPISJPV-JOCHJYFZSA-N	582.679	4.132	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1cccc(CN2CCCCC2)c1	224650072	YOLRFTUBGXJDGD-UHFFFAOYSA-N	522.627	4.092	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225735442	TZTYPMHLZVUAQV-OPAMFIHVSA-N	573.499	4.390	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225735471	TZTYPMHLZVUAQV-KSFYIVLOSA-N	573.499	4.390	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21	408651682	NUOWHJKKONPMKX-GQNMWPQZSA-N	516.337	4.339	5	40	KIBB	
CCC[C@H]1N=c2s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2C(C)=C1C(=O)OCC	408732673	XEQPMAVEBGWIOU-QEMKNDADSA-N	565.648	4.221	5	40	KIBB	
CC(=O)Oc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1	408780344	BCESHVICGWMYEK-QPJBPQEWSA-N	523.570	4.152	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1	408926857	NSGRNQDIBJZCCW-WNOSOOIWSA-N	624.444	4.451	5	40	KIBB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409069614	LYYQNLNVPLDEHC-NNLQFVHNSA-N	506.920	4.434	5	40	KIBB	
O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1cccs1	2967701	ADMHYVXPWMIIGB-HXUWFJFHSA-N	505.581	4.255	5	40	KIBB	
CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	8449577	HFWYHIZJWATVLZ-VJAWVROJSA-N	538.556	4.238	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)C(C)(C)Oc1ccc(Cl)cc1	100823305	SNOQRYLAWPAWRF-QFMPWRQOSA-N	537.016	4.420	5	40	KIBB	
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O	102761336	XFVBHBUBBGWURV-JAXLGGSGSA-N	540.326	4.123	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1	103623592	DMJPLWKVOHFKPX-YHSGTQGLSA-N	535.965	4.090	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225508134	OYENUZNAHAQKEL-HKBQPEDESA-N	630.723	4.493	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n32)cc1OCC	408941044	JLJFTIDSVVSMNH-QICARQTCSA-N	646.634	4.424	5	40	KIBB	
Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc([N+](=O)[O-])c1C	408990120	MPKUVCSATSNDNJ-NRFANRHFSA-N	579.416	4.345	5	40	KIBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)cc1Cl	409273632	KLEIEEIIHYNHFD-NVMNQCDNSA-N	523.976	4.016	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)COc1ccc(Cl)cc1Cl	103628369	NQZLCBNZDHLLCI-KRUMMXJUSA-N	543.407	4.295	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccc(Cl)cc1	103629773	IMHNFQZFQSSQSC-FSRJSHLRSA-N	526.980	4.463	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1	163541267	KRVRBTHYSZZPIO-WNOSOOIWSA-N	671.444	4.293	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222820754	XVTIHGWCQMQGCL-VWLOTQADSA-N	607.516	4.362	5	40	KIBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260986145	OZXFXIOJKQFUIV-GCJKJVERSA-N	553.081	4.045	5	40	KIBB	
CC[C@H](C)Oc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-]	409399696	KTSUJORICFBESR-LWHXSLQUSA-N	522.308	4.007	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O	101201616	XFVBHBUBBGWURV-URVUXULASA-N	540.326	4.123	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	163634138	RLPOFKITQZUKNB-DQARITGZSA-N	646.634	4.424	5	40	KIBB	
CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224619174	YJZIQDWWJHCHGK-FQEVSTJZSA-N	573.071	4.385	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225358981	QUTMCIZAPAAMEQ-NDEPHWFRSA-N	610.733	4.234	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC(C)C)cc1	225673080	DIKVSRXDZPCJEI-QFIPXVFZSA-N	612.705	4.058	5	40	KIBB	
CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@H]([C@@H]23)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]42)cc1	256055916	YZYXUQGPUKSYBA-GXVHQLLKSA-N	548.646	4.089	5	40	KIBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408638576	SFWPGMXWXGMURA-SFHVURJKSA-N	567.348	4.356	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)cc4)c(=O)n32)cc1OCC	408933192	IHFDNMQZIDJKKZ-KXXVVDRPSA-N	615.664	4.303	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409169355	XTRVNIZPGLBVIE-UHFFFAOYSA-N	573.071	4.105	5	40	KIBB	
COc1ccc([C@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1	618251085	QZTPDYZSVYBBHM-ZDVLGVQQSA-N	542.636	4.443	5	40	KIBB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	8437460	YUIZUAVGNNIZDO-CBYYHRJHSA-N	547.564	4.414	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	106557212	ABBAZYPKNHJVNC-CRCYZHLCSA-N	589.626	4.292	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224015859	BWMDJHOSGHKKOA-RUZDIDTESA-N	505.571	4.149	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	224976769	YNYYFTMUTWYVSU-NDEPHWFRSA-N	626.707	4.207	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1	260965687	LRZKBPMCGVDJPW-JOCHJYFZSA-N	566.680	4.431	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409105574	LEZSWYPXBSONET-JGTYQCAFSA-N	668.551	4.419	5	40	KIBB	
O=[N+]([O-])c1cc(S(=O)(=O)N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl	12632369	YQCMSPVUIGSPMZ-UHFFFAOYSA-N	501.369	4.481	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1)S(C)(=O)=O	408711397	RKHHHGYBXLPOCA-UHFFFAOYSA-N	567.045	4.071	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039216	WQLZIFXAZBJGJG-LMWPEEHHSA-N	718.697	4.358	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409081262	GSTOCTIERBAIQI-SJJVXOANSA-N	641.544	4.468	5	40	KIBB	
CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)ccc1Cl	409153457	LTXJHBOTCYWVEN-VXLYETTFSA-N	533.946	4.499	5	40	KIBB	
COc1ccc(CNC(=O)CCCn2c(SCc3cccc([N+](=O)[O-])c3)nc3cc4c(cc3c2=O)OCO4)cc1	2975615	NVPONHUJBFPEFS-UHFFFAOYSA-N	562.604	4.431	5	40	KIBB	
COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC	22254675	PWBUSXDCERKBFU-UHFFFAOYSA-N	517.535	4.278	5	40	KIBB	
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	230109860	ZULPAKODZSFDPI-YCAMKHIRSA-N	514.925	4.402	5	40	KIBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1c(C)cc(I)cc1C	409142463	ABDZAIIWDQVOTK-UHFFFAOYSA-N	594.435	4.088	5	40	KIBB	
O=C(O[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc(Cl)cc1	409378485	PYYVMGBZVYTUBK-VQTJNVASSA-N	547.303	4.376	5	40	KIBB	
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	14360565	GRQZTFLWFXCFNI-UHFFFAOYSA-N	503.920	4.269	5	40	KIBB	
Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	57264466	XYWKJVQIYCADFH-UHFFFAOYSA-N	502.550	4.238	5	40	KIBB	
O=C(NCc1ccccc1)c1ccccc1/N=c1\nc2[nH]c3ccccc3c(=O)n2cc1Br	100726879	SBAMVRAJXDAABM-UHFFFAOYSA-N	500.356	4.101	5	40	KIBB	
CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224072963	BKKDRVBTLHYNOO-NRFANRHFSA-N	617.124	4.356	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224268918	LAHLGWWFBYEGDD-SANMLTNESA-N	617.124	4.189	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1	260954119	UNIPGVJLODCVKG-MUUNZHRXSA-N	580.707	4.082	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	1758176	UUJWSXITQVVYAS-OASJLCFRSA-N	563.563	4.461	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc([N+](=O)[O-])cc4O)cc3C2=O)cc1	100499581	RQNOXLKEFHHGQC-UHFFFAOYSA-N	583.469	4.219	5	40	KIBB	
Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@@H](C)NC(=O)c4ccccc4)n3C)n2)cc1[N+](=O)[O-]	143117886	WHJBIQRQVBQISE-OAHLLOKOSA-N	537.627	4.377	5	40	KIBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408565114	BFGQOVFZSXJJCI-VIQOPKQKSA-N	508.918	4.395	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	408767278	FKWRRUQNWMKYCX-DQARITGZSA-N	744.598	4.254	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409177728	CJGBKMMHTLOINC-KEQCBNTKSA-N	588.598	4.492	5	40	KIBB	
CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	29747363	HFWYHIZJWATVLZ-KTWGYSIQSA-N	538.556	4.238	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N=P(c1c(C)nn(-c2ccccc2)c1C)(N1CCOCC1)N1CCOCC1	97983470	SRZZHFBGMBVQIA-UHFFFAOYSA-N	540.561	4.059	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	261089138	STHWVNCUZYCQEE-HHHXNRCGSA-N	580.707	4.224	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	409155374	QWHFPVZHXIUDLW-HMAPJEAMSA-N	583.600	4.355	5	40	KIBB	
CC[C@@H](C)NC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(I)ccc12	6143823	LPNLGIXAVDBIOH-LLVKDONJSA-N	511.323	4.010	5	40	KIBB	
CCN(CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	8834902	NEUDEXMCOMTRDG-HXUWFJFHSA-N	500.349	4.351	5	40	KIBB	
Cc1ccc(-n2c(CCC(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3ccccc3c2=O)cc1	13165244	GBPQKRFVUWOBNX-UHFFFAOYSA-N	501.495	4.145	5	40	KIBB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)cc2)c1	198313905	IVYSNOQJPNXPIT-UHFFFAOYSA-N	626.669	4.247	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408640111	AIQIWDGKSDYLJQ-JWQCQUIFSA-N	553.527	4.005	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1	409024006	GUDROHVTORRPGT-UHFFFAOYSA-N	536.610	4.491	5	40	KIBB	
CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	409359345	NFCCAJJHZOYWHN-UHFFFAOYSA-N	509.375	4.174	5	40	KIBB	
COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	97948303	CGMVAYZDHPJXMT-UHFFFAOYSA-N	562.531	4.178	5	40	KIBB	
O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	103113288	QBJZMKCTSHTHOH-UHFFFAOYSA-N	541.369	4.096	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	222652871	SSYWDPDFSTZBNZ-MHZLTWQESA-N	631.151	4.435	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225350667	CLBZYQYTOBSXOM-FQEVSTJZSA-N	589.498	4.010	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)c1	408638441	COGRDTPGNACCME-UMGVMLDSSA-N	599.596	4.484	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cccs1	408726523	OEWPQGURYMPRCD-KMBIYUNPSA-N	591.667	4.356	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OC(C)(C)C)C2=O)o1	409399048	HKUCFTDIPCTLAA-ZSOIEALJSA-N	522.308	4.007	5	40	KIBB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1[N+](=O)[O-]	8742488	RODLYGGFLHDFHA-DEOSSOPVSA-N	505.531	4.426	5	40	KIBB	
COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3c2O)cc(C(=O)OC)c1	100988480	RZJXAWGZVYVLCP-UHFFFAOYSA-N	564.528	4.112	5	40	KIBB	
CC(C)C[C@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]21	101509360	IUTMDQGNVXQXJW-LUASENJMSA-N	570.005	4.328	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225428549	KMLOCYAXFRKGFT-DHIUTWEWSA-N	566.680	4.165	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2)CC1=O	408638992	DQRAILBMALWIFC-SFHVURJKSA-N	596.390	4.397	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408689284	YBXYDNKNDVNSCO-JSNMRZPZSA-N	500.349	4.336	5	40	KIBB	
COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O	408879196	BEQPYEREGBTHIB-APSNUPSMSA-N	527.433	4.011	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1	408992686	AXCUNENMVDPQDM-WDONWYDGSA-N	683.480	4.163	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O	409235674	PPFBQDORPGQJIU-OEAKJJBVSA-N	525.521	4.138	5	40	KIBB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409260913	YKMOYKHYJASMCZ-VXLYETTFSA-N	626.381	4.069	5	40	KIBB	
CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)OC(C)(C)O1	604404331	FFPATDDYJWTOFW-HWHSRSFESA-N	636.746	4.069	5	40	KIBB	
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2	3009209	WYSQTRUSOHHAEZ-UHFFFAOYSA-N	513.919	4.078	5	40	KIBB	
O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Br	100321124	ZPIPSTHJEOLGFQ-UHFFFAOYSA-N	533.326	4.340	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1	164530450	LFFXBDBSKCGZHY-WDONWYDGSA-N	636.480	4.321	5	40	KIBB	
CC[C@@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223363632	RGKIXIWUUJVAER-UWJYYQICSA-N	521.636	4.466	5	40	KIBB	
CCn1c(S/C(=C\c2cc(I)c(O)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1	408632583	JRVQRIZZPFYYTE-IDUWFGFVSA-N	598.375	4.418	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408650303	MHGDNXSOCOWMAQ-IHKGIWLBSA-N	582.525	4.343	5	40	KIBB	
CCOC(=O)c1cc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)ccc1Cl	409373587	XMPAAGMQWRTFFA-YKUCYRFJSA-N	502.910	4.302	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(OCC)cc1	2417074	GDJAKJAYNXPTIW-QVAGMWBUSA-N	546.624	4.089	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc2ccccc12	9028287	LMTIFEQZNVFCOH-LWUPDDLQSA-N	513.575	4.168	5	40	KIBB	
COc1cc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)cc(OC)c1OC	39758537	RZMQCFXCTWBJJP-UHFFFAOYSA-N	519.470	4.175	5	40	KIBB	
C[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1	103111155	XNSSNBGXWHBBPU-QGZVFWFLSA-N	537.956	4.500	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1	103865449	LVCXJXAZBAMDHG-QTTRZTASSA-N	554.628	4.408	5	40	KIBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	1316709	WBRWTURFOHAIIR-LIONHTAISA-N	528.952	4.398	5	40	KIBB	
COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	101165169	JFFLXPGBKYMXLG-LIONHTAISA-N	544.951	4.411	5	40	KIBB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1NS(C)(=O)=O	225488171	JXILVRVZBLYJPM-RPBOFIJWSA-N	564.649	4.338	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	408640418	AYQNLNPSCRBWPY-WMTVXVAQSA-N	567.554	4.251	5	40	KIBB	
CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3OC)C2=O)ccc1Cl	409167381	IGZDILFYWUWQEP-GIJQJNRQSA-N	519.919	4.109	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	409332660	LIOAMSKPUDLXRK-YNMQQHPQSA-N	585.638	4.403	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCc4ccncc4)cc3c3ccnc2c31	8792218	CKWKWCKQEJWZKS-INIZCTEOSA-N	508.534	4.088	5	40	KIBB	biogenic
COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-]	58834145	PXKIAXCJMCZGDP-KMBIYUNPSA-N	513.550	4.375	5	40	KIBB	
CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1	100339462	GOKWXHVOUIJMQB-UHFFFAOYSA-N	554.028	4.086	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(C)(=O)=O	108932509	RILUZCUWXGRLHF-UHFFFAOYSA-N	603.462	4.116	5	40	KIBB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-]	409182868	PJWBRROEDSGGFC-QQNJPBSNSA-N	533.334	4.423	5	40	KIBB	
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)c1cccc([N+](=O)[O-])c1	3378778	QYZININBWBCTTC-UHFFFAOYSA-N	514.943	4.035	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1cccc(C(F)(F)F)c1	100820867	OIDLFDOWBJZBMD-VAMRJTSQSA-N	512.488	4.242	5	40	KIBB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1	107689067	LNJOHRABNZOPRJ-YNMQQHPQSA-N	585.638	4.294	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	261042868	YWKBXUIZIKLESA-YADHBBJMSA-N	582.679	4.131	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409029961	BAAAZIDOKMBWPP-KJDHVJLISA-N	687.727	4.236	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(F)cc1	409398716	GANDLHXWBMXFPO-GRSHGNNSSA-N	539.472	4.184	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(OC)c3OCc3cccc([N+](=O)[O-])c3)C2=O)o1	409401444	YNPPQHUHGDPROX-VXLYETTFSA-N	541.900	4.308	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1[N+](=O)[O-]	100372212	RGFPYYJPDFUFES-UHFFFAOYSA-N	533.610	4.083	5	40	KIBB	
COCCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	103018336	YIXYMPBIXAIUSY-UHFFFAOYSA-N	548.618	4.325	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409086141	FTYSGGXGHWSMEL-MFUBYVTQSA-N	624.100	4.310	5	40	KIBB	
COc1ccc(S(=O)(=O)N2C[C@@H]3c4ccccc4CCN3[C@@H]2c2cccc([N+](=O)[O-])c2)c2cccnc12	20494883	IDGBAVGWJSRDPC-KCWPFWIISA-N	516.579	4.454	5	40	KIBB	
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OCc2ccccc2)cc1	102869279	VTPLVXIBQGZMHM-UHFFFAOYSA-N	600.587	4.323	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	224152135	AWPKUOYICUWPBY-OAHLLOKOSA-N	522.396	4.077	5	40	KIBB	
COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1	225133506	BIKBSXITZCDKBC-SANMLTNESA-N	535.597	4.156	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	260755925	DQWZQYSYSWBXFN-MRXNPFEDSA-N	601.509	4.152	5	40	KIBB	
Cc1c(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	409316496	YHPSTFRZOZYUIN-UHFFFAOYSA-N	551.362	4.342	5	40	KIBB	
COC(=O)C1=C(C(=O)OC)[C@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)c2sc(=O)[nH]c2S1	33354394	GIGXJMCVWGFMDW-INIZCTEOSA-N	548.982	4.415	5	40	KIBB	
CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)cc2c1C	100166679	DCNBLOPWBSAZPZ-UHFFFAOYSA-N	541.504	4.356	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	103629253	VNMWJISJWWWJGJ-WDIWLWNISA-N	585.444	4.207	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224351411	PZILFFYMKWYYPU-QHCPKHFHSA-N	565.092	4.189	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224989174	MRSXDMACMGCHHD-XZOQPEGZSA-N	596.706	4.439	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408642344	MWSBBGMQVPUZNG-FTJBHMTQSA-N	612.551	4.304	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccc(SC)cc1	409001221	VOAKTZPUGWYVRZ-VFHYMGCCSA-N	573.652	4.271	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1	6545170	STYMIBAFAFNLLF-LMSRTUJASA-N	586.582	4.407	5	40	KIBB	
Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22840931	QTTFCJKHHKZYSR-UHFFFAOYSA-N	516.583	4.410	5	40	KIBB	
CCOc1cccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	60060070	JADRMBSPAPCXCH-UHFFFAOYSA-N	548.017	4.476	5	40	KIBB	
CC(=O)[C@@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n12	101407948	PIOCSBHMIJQMNL-JKJYOUOCSA-N	565.991	4.009	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260981670	BFUCUWHGPBIOSK-LXFBAYGMSA-N	580.707	4.224	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	408645804	IJYAYBYEIINDMW-GIWSNZPPSA-N	516.337	4.339	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408659155	VSFBJPWFNREBBU-DQEYMECFSA-N	555.543	4.229	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1Cl	408662404	XZVVURPZHTVONS-MFRYECHYSA-N	516.337	4.173	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733027	DFGZAQCVVCYWDH-CBYYHRJHSA-N	529.574	4.275	5	40	KIBB	
COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	12600580	NNFJWRWZLNYESB-UHFFFAOYSA-N	515.975	4.037	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223171608	UBPNAZHSUJMQAY-VWLOTQADSA-N	505.571	4.067	5	40	KIBB	
COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O	225435741	BSCZHEGTFLDLPA-JWQCQUIFSA-N	564.649	4.338	5	40	KIBB	
CCOc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(Cl)cc1	409176096	HIPQRDZYMXUFFO-UHFFFAOYSA-N	519.963	4.490	5	40	KIBB	
COc1ccc([C@@H]2N[C@@H](c3ccc(OC)c(Cn4cc([N+](=O)[O-])cn4)c3)[C@H]3CCC[C@H]2C3=O)cc1Cn1cc([N+](=O)[O-])cn1	101570287	LRBUOYLSQVFZDL-RZCBTRPQSA-N	601.620	4.381	5	40	KIBB	
CC[C@H](NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2	223118609	HVJLZXCCYLZWKF-FCHUYYIVSA-N	503.621	4.294	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223404157	IQJVGKVKUVYORD-MRXNPFEDSA-N	589.498	4.010	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224268855	LAHLGWWFBYEGDD-AREMUKBSSA-N	617.124	4.189	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224433501	XNHFJZDNPREUCH-SANMLTNESA-N	631.549	4.290	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408837564	IVGGOXADZCIUIQ-SUAMDDGLSA-N	635.651	4.001	5	40	KIBB	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O	408978145	YJLKPMCCMSMHIQ-UHFFFAOYSA-N	502.399	4.168	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1	409104439	IRZKJQRXAFQQFO-ZUCAMLDZSA-N	677.761	4.459	5	40	KIBB	
COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1Cl	3363141	FQXWFOFRQUTNKG-UHFFFAOYSA-N	548.957	4.130	5	40	KIBB	
C[C@H]1C[C@H](C)CN(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	12546627	BRTMUCBFSAUUOG-HRCADAONSA-N	523.995	4.099	5	40	KIBB	
CCn1c(CCn2nc(C)c(Br)c2C)nnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	97947824	KPDPZXIFIOZFDM-UHFFFAOYSA-N	542.847	4.409	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	198313988	UECGGBWAJYSGPQ-UHFFFAOYSA-N	644.659	4.386	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225723814	VIAQZZSYQHGGBC-HHHXNRCGSA-N	566.680	4.431	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1	260860077	HNQFLTQTDJZUTI-MUUNZHRXSA-N	580.707	4.142	5	40	KIBB	
CCOc1cc(Br)c([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OCC	408566721	OMERJHBUNPDAJZ-UCIDMZFESA-N	516.392	4.301	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034633	HUXAVHHSXSTOMI-DJPQNNMESA-N	717.753	4.245	5	40	KIBB	
CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc(I)cc2)n1C	409144446	OBZIWLPTODSNPU-LJQANCHMSA-N	594.435	4.186	5	40	KIBB	
O=C(NC(=S)Nc1ccc(I)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	8835498	JITMWWSNGQYRSB-UHFFFAOYSA-N	514.320	4.066	5	40	KIBB	
C[C@@H](O)CN(CCNc1ccc([N+](=O)[O-])cc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	100079851	GGKKMBJZBFMBFJ-SNVBAGLBSA-N	507.809	4.383	5	40	KIBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260890083	CUTCUEFZMVSXQR-IERDGZPVSA-N	603.525	4.398	5	40	KIBB	
C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408683606	IMFZNHGWMULHQO-SSDOTTSWSA-N	535.123	4.375	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408835137	MOLKRGHTFLROHR-FJWZAKCXSA-N	616.490	4.265	5	40	KIBB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O	409221059	KFEDLLVPWFBZSF-UDWIEESQSA-N	561.507	4.398	5	40	KIBB	
COc1ccccc1CNC(=O)C[C@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O	2968525	MKWJPHAMDRBWHX-JOCHJYFZSA-N	529.578	4.202	5	40	KIBB	
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)[C@@H]2C1	97956268	ITSVQLVGGODNFB-PMFKIEPISA-N	526.933	4.062	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)CCc1ccccc1	103629690	ZFUBHEPREMTLGN-IYOYZZHUSA-N	520.589	4.129	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	111461087	GOAMVGVHRAVXCU-FUFNRSNVSA-N	619.652	4.382	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224318429	WKUWAUSMYWBTLM-RUZDIDTESA-N	573.071	4.387	5	40	KIBB	
COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408569933	KHPPLDJCNMLIOI-RRHKGSKTSA-N	538.944	4.404	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408909364	HHNVMWZSVOJNEK-OCEWKHMESA-N	589.626	4.374	5	40	KIBB	
CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409304077	PRNHMVGZVBBORP-YVMONPNESA-N	580.291	4.457	5	40	KIBB	
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1	102912269	LJQNYGCQFZJHGA-XPWALMASSA-N	509.902	4.317	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(OC)cc1	102921373	DTZIQSYMCVBGES-QCWLDUFUSA-N	500.555	4.081	5	40	KIBB	
O=C(CNS(=O)(=O)/C=C/c1ccccc1)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	103063214	MHOKLNQFQQXWMR-ZVQQDINOSA-N	529.958	4.062	5	40	KIBB	
O=C(NC(=S)Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105315336	MQHHSGDUIOTRHS-UHFFFAOYSA-N	530.562	4.332	5	40	KIBB	
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12	229835749	ZULPAKODZSFDPI-LWSSLDFYSA-N	514.925	4.402	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408615531	BNCTYZVTFLMFJA-FQEVSTJZSA-N	617.080	4.308	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)c1	408638436	COGRDTPGNACCME-GTKZSKITSA-N	599.596	4.484	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(F)cc1	408833939	XLHRAUMXRYDPBG-PNZYDNNZSA-N	547.564	4.414	5	40	KIBB	
Cc1cc(I)ccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C	409128964	SYHQDHWRKVWEBQ-HXUWFJFHSA-N	608.462	4.494	5	40	KIBB	
Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)c(=S)n1C	409156219	NBLFETXXCYSXNM-UHFFFAOYSA-N	537.627	4.168	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1	9069585	ZHZVLHPFQJREKK-QFVBLGFASA-N	505.596	4.004	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	100304627	UMDHZCLMEYDAPI-XQNWCSQWSA-N	585.638	4.294	5	40	KIBB	
O=C(Oc1ccc2oc3c(c2c1)CCCC3)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	103041048	AZKRDIZGJOYELR-UHFFFAOYSA-N	569.636	4.063	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	150382319	SUAJDYRLZGWINA-FCVOFCDTSA-N	629.647	4.023	5	40	KIBB	
Cc1cccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)c1	224937695	SOVSDFDLNKJNEA-UHFFFAOYSA-N	517.991	4.332	5	40	KIBB	
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)cc1)[C@H]1CCCN12	408564006	BZJATXMPIMSNCY-BGBNXGLDSA-N	500.511	4.228	5	40	KIBB	
COCCCNC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408622961	XCLREOYKTXUFPW-UHFFFAOYSA-N	605.069	4.166	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)cc2)c1	408690306	UWKZHFOIMJNPQX-BZERRRCQSA-N	569.570	4.328	5	40	KIBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1ccccc1	409025676	YDSYRYGDQSVGML-UHFFFAOYSA-N	544.589	4.359	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224819230	KGRHYKOCCOIGNN-FQEVSTJZSA-N	573.071	4.387	5	40	KIBB	
COc1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)cc1	8455521	VZQJNOFEEANDLO-CCNCKIRNSA-N	603.595	4.428	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	101128829	YLIBVFFJRZNCIJ-JVCXMKTPSA-N	531.569	4.282	5	40	KIBB	
C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5cc([N+](=O)[O-])ccc5OCc5ccc(F)cc5)[C@H]34)[C@@H]2C1=O	150477820	NSRSCJKRCKSRAW-PLAXSONKSA-N	625.656	4.009	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1	222530056	LNJHFKCGWNFYSE-NDEPHWFRSA-N	580.707	4.082	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1	225500090	GJVZZRSLCPOIMA-QFIPXVFZSA-N	552.653	4.040	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225501230	CFZUMFMVRIXYEG-LJAQVGFWSA-N	586.670	4.176	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1	408687695	PFIOCVMNVVUIOR-UHFFFAOYSA-N	565.149	4.385	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12	1316104	RPTKCNLFCBXWBF-SSVAKIOMSA-N	528.952	4.263	5	40	KIBB	
Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	19941473	AAQKDJHDNLXKLK-AREMUKBSSA-N	528.617	4.148	5	40	KIBB	
Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccc5c(c4)Cc4ccccc4-5)CC3)ccc2[N+](=O)[O-])n1	98007900	QOFQYZVWBQXCGF-UHFFFAOYSA-N	529.622	4.479	5	40	KIBB	
COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2	100819019	FTXMCZXLWKAURC-SANMLTNESA-N	581.647	4.215	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223707704	BJIKWUYACLOMJG-VWLOTQADSA-N	607.516	4.444	5	40	KIBB	
COc1ccc(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224502997	BMLCXOSRKJMDED-UHFFFAOYSA-N	552.653	4.019	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1	408689985	SXHQCNPGPAHBGY-WZCPEYNJSA-N	539.544	4.320	5	40	KIBB	
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(O)c([N+](=O)[O-])c4)c(=O)n32)c1	408770656	ZWMOACNHRDNVOZ-RWTNITNYSA-N	668.469	4.101	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	408928071	VPRDKAJXJQCTDZ-BQKWAYIGSA-N	636.480	4.321	5	40	KIBB	
C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C	409356672	GZXXNGRZXLSJNA-LLVKDONJSA-N	509.375	4.252	5	40	KIBB	
COc1ccc(CNC(=O)COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1	8792158	GEJXJRBQCGUTBI-UHFFFAOYSA-N	523.545	4.313	5	40	KIBB	biogenic
CC(C)Oc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1	33390176	FPXIQYVSFRUGOQ-UHFFFAOYSA-N	511.648	4.209	5	40	KIBB	
Cc1noc(NS(=O)(=O)c2ccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C	97983371	JCBRQNIPAAGZDR-UHFFFAOYSA-N	595.619	4.488	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	103405117	PRRZHURSYHYCDH-FBRKSOCZSA-N	570.671	4.482	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223096390	QNRATKCZWJXJPO-NHCUHLMSSA-N	570.643	4.261	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225501107	BCOZCMWGPSDEOL-GDLZYMKVSA-N	586.670	4.176	5	40	KIBB	
COc1ccc(OC)c(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)c1	408641272	CGTIHGLAGOASIT-GOSISDBHSA-N	520.494	4.183	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(F)cc1	408779837	LYICZQXDDYKPCN-BIWBSIMWSA-N	573.602	4.425	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1	409353385	JZQHTGLWPUOVQJ-AWEZNQCLSA-N	502.984	4.390	5	40	KIBB	
CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)C(F)(F)F)CC4)cc3)cc2[N+](=O)[O-])CC1	20528989	RJOXPTUMZINNPZ-UHFFFAOYSA-N	519.524	4.294	5	40	KIBB	
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	14361038	NCXYTCCQRGOPME-LBPRGKRZSA-N	509.949	4.295	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3c3ccnc2c31	70707910	QPWULNPZEPBHRZ-UHFFFAOYSA-N	566.589	4.476	5	40	KIBB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	100306036	DDVYITMRRONZMK-ABBNRAPFSA-N	555.612	4.286	5	40	KIBB	
CC(=O)[C@H]1[C@@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n12	101407951	PIOCSBHMIJQMNL-ZKCFDNOOSA-N	565.991	4.009	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC	102883692	FAQNPEIKAMSWSM-ZLNRFVROSA-N	554.899	4.225	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	150368599	RJZGLRLCURVMHV-RLGZEVEKSA-N	638.452	4.458	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222812750	XHSASLQMLCWXIG-DEOSSOPVSA-N	593.489	4.054	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408650114	ZMMBZMYEFYFFMQ-OXXFDUNKSA-N	591.576	4.107	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC	408939335	IMEIWBUMQTYOJY-FHGOPSEHSA-N	615.664	4.303	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033509	FIJVAQRJTJWVNL-FLGOMVIPSA-N	717.753	4.245	5	40	KIBB	
Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)CC1	59331759	SJENABFBTAIMSW-UHFFFAOYSA-N	517.611	4.301	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	100128417	WLZBIGLNDBDBCV-UHFFFAOYSA-N	620.610	4.359	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)cc1	104086020	KDALIIPRVMIQMF-UHFFFAOYSA-N	600.097	4.156	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225708516	CCFWTKAMYHPKKS-HHHXNRCGSA-N	596.706	4.439	5	40	KIBB	
O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	408639888	HKQQBOGPSKCCQU-CQSZACIVSA-N	505.870	4.007	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12	408651684	NUOWHJKKONPMKX-PJUBBZNESA-N	516.337	4.339	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccccc1	100178010	RCCYUNGZVQUDLB-CSJROMOCSA-N	555.612	4.286	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1cccc2ccccc12	100955958	XWHSXWMEZIYZPD-JUTHHCEFSA-N	594.443	4.328	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)sc(C)c1C	102862045	XUBDRKSUSLFYIY-PCCBWWKXSA-N	507.524	4.111	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	105548265	RMXCINYVHFBARZ-ZDGAQAAHSA-N	574.571	4.183	5	40	KIBB	
CCOC(=O)c1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C	113623944	NFKGXCYSPHYPQX-UHFFFAOYSA-N	541.582	4.231	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223102965	VXKRYDCFBSTGCX-HSZRJFAPSA-N	566.680	4.432	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225259103	DBHHDUJHBAEGBK-SANMLTNESA-N	570.643	4.263	5	40	KIBB	
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@@H]3O[C@H](c4ccccc4)O[C@H]23)O[C@@H](C)[C@H]1O	254239104	XVSHGAAPBNVZEJ-YVFMFUBASA-N	728.703	4.131	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	260815189	VQQYSMFBFIAUNU-MRXNPFEDSA-N	573.499	4.308	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NCC(C)C)cc1	260861141	BMLMCXHIVMCPPA-HSZRJFAPSA-N	626.732	4.305	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O	260952275	VPZJCVFJHLVKDI-LJQANCHMSA-N	609.543	4.298	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1	409095631	IDUGLBYIMZIRPA-ASZHOJRSSA-N	661.718	4.171	5	40	KIBB	
COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C	409176152	IWHLJNCHXKSPLM-UHFFFAOYSA-N	562.000	4.494	5	40	KIBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1	8685628	UOKAEZHXFOZPJF-UHFFFAOYSA-N	568.637	4.257	5	40	KIBB	aggregator
Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3O)oc2c1	112231112	WYLIRATXAVSZDB-UHFFFAOYSA-N	533.566	4.380	5	40	KIBB	
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225207828	UJXSHKRXIZHGFQ-XMMPIXPASA-N	562.664	4.065	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225354310	HYKGLBWJSPIOAA-FCHUYYIVSA-N	582.679	4.131	5	40	KIBB	
CCCCOC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	408627077	XWXKQJVQTGUCJJ-UHFFFAOYSA-N	511.556	4.386	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1	408640661	BINWKAZBTHRQNB-IRXDYDNUSA-N	502.310	4.093	5	40	KIBB	
Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-]	408653514	JIPAGVHBZDNDAT-DDBVPJQNSA-N	536.371	4.435	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409146944	UORGVFGMYVBNGY-HXUWFJFHSA-N	500.556	4.203	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O	102761340	XFVBHBUBBGWURV-RZUBCFFCSA-N	540.326	4.123	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)O	106739286	QNQXYKVROGUQLL-PXNMLYILSA-N	523.317	4.066	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222501997	IJRHJAQDWNOTRW-LJAQVGFWSA-N	604.660	4.315	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224272027	MHBCVZJLUJVMRL-HHHXNRCGSA-N	601.125	4.489	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NCC(C)C	260904272	BFKZMYLKCUHCKA-GDLZYMKVSA-N	594.734	4.390	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409172100	HJBUCDNQWIDOBP-UHFFFAOYSA-N	577.034	4.248	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21	101104174	UEGVIOWJDSMQJJ-KIHHCIJBSA-N	559.376	4.386	5	40	KIBB	
C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223101523	PBSNFWAFUIHROT-QFIPXVFZSA-N	566.680	4.165	5	40	KIBB	
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)cc1)[C@@H]1CCCN12	408564010	BZJATXMPIMSNCY-CLPFNFTISA-N	500.511	4.228	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408642979	FKBGGHGLCDBRDP-IAGOWNOFSA-N	502.310	4.093	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	408654006	QJJMUWCQKOSYFZ-KTERKQDUSA-N	612.551	4.160	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408730124	NQCQVEHPGXEUIW-MFUBYVTQSA-N	657.442	4.277	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccccc1Cl	409362654	FXPQRBYLAUQGIM-AWEZNQCLSA-N	502.984	4.390	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c([N+](=O)[O-])c3)C2=O)o1	409399686	KRTLYXPHTWWMNF-NVMNQCDNSA-N	601.322	4.317	5	40	KIBB	
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@H]4O[C@@H](CO)[C@@H](OC)[C@@H](O)[C@@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O	11616970	JSKFWUPVIZYJMR-OLZAGXNRSA-N	669.562	4.300	5	40	KIBB	
O=C(CCCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1	97945597	AAABVAIOPBBVOS-UHFFFAOYSA-N	532.505	4.169	5	40	KIBB	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	103070808	RQPDHEWXBSDGPB-MRXNPFEDSA-N	538.022	4.343	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccccc1[N+](=O)[O-]	105317204	LYEZSKIAFZXISA-UHFFFAOYSA-N	524.002	4.337	5	40	KIBB	
CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	216301736	VTDOFGHJAACULL-LJQANCHMSA-N	527.599	4.383	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	223960068	PPWNXPZMOPPILS-INIZCTEOSA-N	601.509	4.152	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408639883	GMYBBNIWTKFHGV-MQNAVGNWSA-N	559.531	4.068	5	40	KIBB	
C[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O	408683609	IMFZNHGWMULHQO-ZETCQYMHSA-N	535.123	4.375	5	40	KIBB	
CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-]	408941131	PVFYJSMBKDNRBT-SCRHHBKZSA-N	688.553	4.198	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	409080280	MRWPBFTZWWSLKC-QVFHAIOXSA-N	697.358	4.344	5	40	KIBB	
Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nn12	8832880	MDQFMRHVPWNTDQ-UHFFFAOYSA-N	505.541	4.456	5	40	KIBB	
O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	9354619	NYKNHZHRERFLRU-UHFFFAOYSA-N	518.482	4.100	5	40	KIBB	
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1	101589724	CFIFQVFEOMZXOE-CWTOASCOSA-N	537.528	4.101	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	101713437	GIESBLBBCSDFPG-UCQKPKSFSA-N	530.537	4.412	5	40	KIBB	
COc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)C(C)C)cc1	107999001	RJADVASFNKOKGG-HXUWFJFHSA-N	533.010	4.243	5	40	KIBB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223388684	JJRWMMSMGIVORL-OAQYLSRUSA-N	553.081	4.045	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224104349	MLSSENGBCNNYBM-AREMUKBSSA-N	519.598	4.457	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225527830	DGTSCROGCUQNBR-SSEXGKCCSA-N	600.697	4.485	5	40	KIBB	
CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O	408672979	VWTNSFAKHQMFNP-LJQANCHMSA-N	527.533	4.479	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccccc1OC	408828272	LKGRFUTUGCOSGU-LMSRTUJASA-N	559.600	4.284	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1	408846292	IGOGERBNFLXMCS-CMISJSSVSA-N	570.627	4.189	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1	408853718	WZLXMOUJMFLHLS-FCYPAOMHSA-N	540.601	4.181	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c2=O)=N1	409035523	JESVPUQPCIJEKL-WVWKGNOCSA-N	586.464	4.256	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	8443269	KCYXCVURNCFMTE-QUYTYNJFSA-N	659.483	4.216	5	40	KIBB	
CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1	9009021	KGRVIGHKCXDUJF-UHFFFAOYSA-N	503.946	4.283	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1OC	163636345	RSEKXUYSFYBRGM-FZEVDNDPSA-N	645.690	4.311	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1	260961935	HIUKKPQHGNDBII-MUUNZHRXSA-N	610.733	4.233	5	40	KIBB	
Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	57264463	DVLHOTZZKYVEHR-UHFFFAOYSA-N	502.550	4.238	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224783666	DRGKFKKBTOTIPY-FQEVSTJZSA-N	573.071	4.387	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225506259	PJBOAUKUIMFDDS-NDEPHWFRSA-N	598.697	4.365	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc([N+](=O)[O-])cc1	408645405	SHYAMBYZGZBEDG-JKUBGBAOSA-N	540.359	4.195	5	40	KIBB	
O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	408710505	XHEZDKSBKQZGMA-UHFFFAOYSA-N	535.454	4.434	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c2=O)=N1	409037382	NJPXTULBYWAESI-DKOMQPSQSA-N	646.516	4.275	5	40	KIBB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409048138	QKNVAHVDKJNAPG-VCHYOVAHSA-N	598.371	4.386	5	40	KIBB	
CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	12602595	OVIFBQULDBPMRW-UHFFFAOYSA-N	503.558	4.003	5	40	KIBB	
COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1Cl	112244217	UHYUNVCYWXSSFU-UHFFFAOYSA-N	582.042	4.263	5	40	KIBB	
NCCCC[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)OCc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	150400355	DMMUUUSPVBZVPJ-QGBCWPEESA-N	799.834	4.021	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222550648	CMSGJLWQTFNWJQ-LJAQVGFWSA-N	604.660	4.315	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1Cl	408643422	FWJIUMCHKHOLTH-CALCHBBNSA-N	502.310	4.093	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408729096	CUQUWANMTVFXGV-WLJFKGHSSA-N	521.576	4.028	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	408975495	LDINTQRLZHOHOI-GTWFGUSFSA-N	559.600	4.365	5	40	KIBB	
Cc1ccc(F)cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C	409141622	JHJPOFATFTWZLW-FQEVSTJZSA-N	500.556	4.029	5	40	KIBB	
O=C(CN1C(=O)N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)Nc1ccccc1F	409217548	PXHVAFRTQHXNTK-YDZHTSKRSA-N	513.485	4.268	5	40	KIBB	
CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1	9045757	CHCFZHFNBQFBEJ-SFHVURJKSA-N	501.944	4.276	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccccc1C(F)(F)F	100820916	KYGXYAIJBLNJKR-SJIPCVTESA-N	536.466	4.227	5	40	KIBB	
O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Br)cc1	101076264	MBMNHMNTGOJCPM-PZUNEJSGSA-N	602.405	4.028	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CCSC)NC(=O)c1ccc(OC)cc1	108988524	OUUMGLQMEFVKAX-HXUWFJFHSA-N	544.659	4.170	5	40	KIBB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	205702586	MEWUPNULVSYUIZ-QGMBQPNBSA-N	537.344	4.154	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	223087670	OPAMGICWFVVZQL-UHFFFAOYSA-N	551.672	4.345	5	40	KIBB	
COCCCn1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21	1839081	GGOWQAVNGMPFDW-UHFFFAOYSA-N	595.659	4.471	5	40	KIBB	
Cc1nn(-c2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12	8818221	AKHJDNJQZKLYBE-UHFFFAOYSA-N	503.946	4.218	5	40	KIBB	
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1[N+](=O)[O-]	101789775	DDXKMTBTDMPYHB-VWLOTQADSA-N	525.355	4.416	5	40	KIBB	
CCOCCCn1/c(=N/C(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	102920784	PBRYCWPJUCWDNR-IWWDHDBVSA-N	535.000	4.047	5	40	KIBB	
CCCn1/c(=N\C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	103360476	LQALYENFIAFNEE-RADFDNFISA-N	543.407	4.438	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223246739	NJVQHZJWHBXVPJ-NRFANRHFSA-N	570.643	4.263	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	224152091	AWPKUOYICUWPBY-HNNXBMFYSA-N	522.396	4.077	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c2=O)=N1	409035060	ISJYQGCSNRUKLD-IZBTWGKQSA-N	602.065	4.166	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3cccc(C(=O)O)c3)C2=O)o1	409403050	YJRCSEDVJCNYPM-NVMNQCDNSA-N	600.334	4.107	5	40	KIBB	
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C1CCN(Cc2ccccc2)CC1	1877111	STHHMEFBLYHIME-IZEXYCQBSA-N	549.631	4.426	5	40	KIBB	biogenic
O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22836210	DRWVCVGSRWPUEV-UHFFFAOYSA-N	512.400	4.475	5	40	KIBB	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1	105352498	IFVAKBREUSEGQN-UHFFFAOYSA-N	552.701	4.407	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260795116	OWBPECFCSRSXSR-JOCHJYFZSA-N	626.732	4.448	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3O)c2=O)=N1	104676810	WKPWFUNNYNBQQI-LWUPDDLQSA-N	535.622	4.316	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223310924	PVGRTPAVFXACOG-INIZCTEOSA-N	589.498	4.010	5	40	KIBB	
CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224611135	HILGCIVAKYYJDK-MHZLTWQESA-N	596.706	4.093	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224711143	VLGWZGQRSHGJER-QFIPXVFZSA-N	552.653	4.042	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225427664	ZRZRBUZSVIFPNM-SFHVURJKSA-N	607.060	4.063	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408733203	GEJNMCXFUHZQGT-IZBTWGKQSA-N	565.991	4.326	5	40	KIBB	
COc1cc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)ccc1OC(C)=O	409189281	OPIUNRYVVMQJGR-MOSHPQCFSA-N	502.435	4.092	5	40	KIBB	
O=C(Nc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1)c1ccc([N+](=O)[O-])cc1	797214	YIMHAZBFFVKZBW-UHFFFAOYSA-N	508.556	4.274	5	40	KIBB	
CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(Br)cc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	71195263	DNGNCVYLEKHAJN-GOSISDBHSA-N	518.320	4.009	5	40	KIBB	
CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	105316823	ZJZMWMVPVANTDC-UHFFFAOYSA-N	559.092	4.424	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	138749620	PHZNREUCSAEIPD-LSBZLQRGSA-N	500.349	4.336	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1	409369843	ZWYORLKKCVCDCS-IUXPMGMMSA-N	511.940	4.147	5	40	KIBB	
CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	8449580	HFWYHIZJWATVLZ-PCLDUBMHSA-N	538.556	4.238	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(-n3cc(C(=O)c4cc(Cl)ccc4O)cn3)c([N+](=O)[O-])c2)cc1	17576644	MDVQAMMRMRWHPC-UHFFFAOYSA-N	528.930	4.180	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2ccnc2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	59853483	VDHYALKVUDYUFS-UHFFFAOYSA-N	570.027	4.263	5	40	KIBB	
O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105321597	YYCSPSJWTBEPHK-UHFFFAOYSA-N	550.015	4.300	5	40	KIBB	
O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	105352859	FKTUEODESQGKAC-UHFFFAOYSA-N	545.415	4.258	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(Cl)c2)cc1	408635674	GZJXJDNIUKXVLQ-UHFFFAOYSA-N	505.936	4.384	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3O)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408731595	MBEZEHFBGNRROO-YRSDHNRQSA-N	601.637	4.109	5	40	KIBB	
Cc1cc(Br)cc(Br)c1NC(=O)CNCCCNc1ccc([N+](=O)[O-])cc1	8781441	NMFDXWXCWYTTLM-UHFFFAOYSA-N	500.191	4.459	5	40	KIBB	
COc1c(Br)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	20611752	VDENPEHMNLDMAZ-UHFFFAOYSA-N	515.158	4.217	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccccc1Cl	101125430	QEVWFKHWICUHHX-KRUMMXJUSA-N	516.941	4.170	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc(Cl)cc1Cl	103629225	VFAHMKORPZGPMH-BQMVIJPOSA-N	541.391	4.053	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	106130817	HSDMPOHFBXFTCC-QTTRZTASSA-N	601.637	4.452	5	40	KIBB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260868593	DMMGQXZYOBONES-XMMPIXPASA-N	610.733	4.339	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565263	JFDALJTYOGSJGL-DVKBMCPXSA-N	508.918	4.349	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)cc1	408641110	JSWIDJVDJDALIZ-BAURHKQJSA-N	619.652	4.332	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408646283	IOFTTZLXCGYYDZ-CALCHBBNSA-N	504.326	4.317	5	40	KIBB	
Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c1	408656995	ICOKQYFYPFDILM-SFHVURJKSA-N	513.506	4.279	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(C)cc1	408751845	CVZWUUNGNYQQJQ-XXMKCSCWSA-N	529.574	4.275	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409095992	JACJAJPKKHYDPC-GVMLUORFSA-N	633.708	4.055	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)o1	409408258	JUPUBTQTZBVTGJ-HEBFQYNVSA-N	596.346	4.449	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224862069	XNNCKDJUCWYXGI-NRFANRHFSA-N	600.669	4.190	5	40	KIBB	
CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)N(c6ccc([N+](=O)[O-])cc6)C(=O)[C@H]54)[C@H]23)cc1	226700816	YZYXUQGPUKSYBA-QXDZREBPSA-N	548.646	4.089	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260936324	YJLYJLFNCKOSJG-QGZVFWFLSA-N	573.499	4.166	5	40	KIBB	
CC(=O)[C@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n12	101407954	PIOCSBHMIJQMNL-HININGRWSA-N	565.991	4.009	5	40	KIBB	
CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	105317039	LDMFYIWVTBZMPV-UHFFFAOYSA-N	545.065	4.034	5	40	KIBB	
CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225021462	IVZBAXATFHSMGY-AREMUKBSSA-N	631.549	4.288	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225387445	RFQUTUBBMPVKHF-FCHUYYIVSA-N	582.679	4.131	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(Br)cc(Br)c3OC)CC2)c([N+](=O)[O-])c1	408575247	TYCCQJKEMFWFCT-UHFFFAOYSA-N	571.222	4.268	5	40	KIBB	
CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1	408637436	KLBQMXGTAUYWPA-JOCHJYFZSA-N	574.542	4.158	5	40	KIBB	
O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1	408718098	JGJHWIVQNLNJCX-JZTLMNBPSA-N	510.418	4.192	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409098227	OUHQNGWJGNRBSN-GTWFGUSFSA-N	617.709	4.435	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	409100107	UVOXVCYUOXTZHH-OXIKZWMZSA-N	556.644	4.174	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409178646	MKBKEVCROVSKDB-AQIZGWBQSA-N	574.571	4.183	5	40	KIBB	
Cc1cc(NS(=O)(=O)c2ccc(Nc3nc4ccccc4nc3NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)nc(C)n1	97983889	MIWIISWSFHAYBS-UHFFFAOYSA-N	606.646	4.290	5	40	KIBB	
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1	101373835	PBHXXBYLZCKCJE-HSZRJFAPSA-N	529.570	4.455	5	40	KIBB	
COCCn1c(=N)c(-c2nc(-c3ccccc3)c(NC(=O)c3ccco3)s2)cc2c(=O)n3ccccc3nc21	102621060	SVNGCLRRTFQDLX-UHFFFAOYSA-N	538.589	4.411	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223401371	MJGSKOFHYUNPQG-XMMPIXPASA-N	525.989	4.412	5	40	KIBB	
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1	408602519	CESYYRGNQFKEBN-VZUCSPMQSA-N	508.531	4.314	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409103708	BLGCTBPWGYDDNJ-PRWBYUBPSA-N	605.898	4.133	5	40	KIBB	
CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(Br)cc2)n[nH]1	409151049	GGPMMSMSAFJFLL-GOSISDBHSA-N	533.408	4.333	5	40	KIBB	
O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1	8438543	PBINIDUOUICDHZ-SPVXFMEISA-N	515.572	4.017	5	40	KIBB	
CC(C)COc1cccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1	22834543	RKHKTIYYWNHBEC-UHFFFAOYSA-N	510.538	4.485	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	105500682	KNUWTIIFIXRZHF-RISWYLRJSA-N	586.582	4.407	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1	107024178	MUYQMPORSGJMLT-XSZPGNIMSA-N	529.574	4.275	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cccc(I)c1	108930298	BEUHYZVIBGDSFF-UHFFFAOYSA-N	579.464	4.027	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1	111466856	PYEUSFDBHSYVGY-ZJTZAHLKSA-N	617.636	4.484	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225169237	HSYNLKGJNONDCF-MHZLTWQESA-N	566.680	4.432	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1	408652057	OCJWFUURLVCGCP-NRFANRHFSA-N	516.506	4.210	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409160846	JNIMLLLWLSBQQX-LYRGBEMXSA-N	677.517	4.417	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@@H](c4cccc([N+](=O)[O-])c4)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1	8768815	MGYJKFKSJWDLDZ-NAKRPHOHSA-N	510.550	4.012	5	40	KIBB	biogenic
Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21	13811731	ADMFIICMWZIGRN-RNLGNXJRSA-N	500.580	4.425	5	40	KIBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl	102707312	SYSIFMNHLYTTJH-QFYYESIMSA-N	549.820	4.372	5	40	KIBB	
CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	105307949	GBCLRFYMPKXXKY-UHFFFAOYSA-N	531.598	4.454	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222501930	IJRHJAQDWNOTRW-GDLZYMKVSA-N	604.660	4.315	5	40	KIBB	
COc1ccc(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	223500286	KSKIEPUWCRSBHW-UHFFFAOYSA-N	537.516	4.442	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]12	408645158	HNANZYGALWUMMR-GIWSNZPPSA-N	516.337	4.339	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1	409101570	YJWDTUDRTHKREK-HTCWZNLXSA-N	647.735	4.451	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409136250	SBOYUBHIKRRPQW-RQZCQDPDSA-N	537.344	4.456	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409177981	KBCOPHLDEWEHLR-JAYSWQADSA-N	604.597	4.192	5	40	KIBB	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccccc1I	409369191	HFHGPYCZPBWNJK-CAZKKTPXSA-N	522.298	4.076	5	40	KIBB	
C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1)C(=O)Nc1cccc([N+](=O)[O-])c1	13134710	HHUSZBZUVSHMMC-GFCCVEGCSA-N	509.949	4.295	5	40	KIBB	
COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)CC2)cc1	105352057	CQCDBSGUYMIDOE-UHFFFAOYSA-N	533.610	4.001	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222764954	VPAWVBWIDGXFAO-XMMPIXPASA-N	593.489	4.054	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409029960	BAAAZIDOKMBWPP-FAVIKPSQSA-N	687.727	4.236	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409124452	KMFLYDQMRXOPCZ-FYJGNVAPSA-N	562.000	4.121	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)/C=C/c1ccc(Cl)cc1	101221860	CBOOFHASEKLYMM-LXUXAXISSA-N	547.011	4.107	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225723748	GVMFIXQCQMQZSH-HHHXNRCGSA-N	566.680	4.431	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260880383	IKULEILLGHXNPY-QGZVFWFLSA-N	573.499	4.166	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260936390	YNTMRCZQXPNGAK-HSZRJFAPSA-N	626.732	4.305	5	40	KIBB	
CN1C[C@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408568284	SXMNTYZNVNEIIT-NIDLKEISSA-N	553.369	4.458	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)cc1	408662283	XPXUWTJIFSRQMF-UIOOFZCWSA-N	605.625	4.086	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1	409398368	DJQSSNQRILCCAM-ODLFYWEKSA-N	556.325	4.409	5	40	KIBB	
O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1ccc(F)cc1	17027884	UAMPHOPFRLQHBP-YIXXDRMTSA-N	515.501	4.095	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1	105498743	HIQOIKBXXPVJTE-MFCBUNOESA-N	616.608	4.416	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21	229596681	UEGVIOWJDSMQJJ-KEZOAJOQSA-N	559.376	4.386	5	40	KIBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cn2c(=S)n(CCc3ccccc3)c3ccccc32)CC1	2645294	ZHUVSWHPKNPQBN-UHFFFAOYSA-N	537.667	4.287	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1	59247838	LSONYBPPFBHVPV-MFCBUNOESA-N	589.626	4.372	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-]	224345226	FITIJSXZQSEINX-OAHLLOKOSA-N	512.390	4.479	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12	247318646	LFDJABJOWZRAMW-QPXUXIHVSA-N	514.925	4.277	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	409337180	YKGOHKSYKNJSJV-AWCNIVANSA-N	638.452	4.458	5	40	KIBB	
O=C(NCC12CC3CC(C1)CC(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)(C3)C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	8396829	TUOSVICHWBEKPB-UHFFFAOYSA-N	582.526	4.066	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1cccc(Cl)c1	103629781	YSROWBHEOCOXMD-FSRJSHLRSA-N	526.980	4.463	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c2=O)=N1	104677488	VQQWNEYCWUBSIZ-YMSBRDKKSA-N	580.619	4.224	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223896532	MHTBPWKBNDZDMV-HXUWFJFHSA-N	617.522	4.496	5	40	KIBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1)c1cccc([N+](=O)[O-])c1	408641823	DAOQIDIFLXWIPJ-SFHVURJKSA-N	506.898	4.258	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733571	KOUZRMFTDNOSMW-LRAMOIDDSA-N	634.623	4.200	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(SC)cc1	409106732	UASRWBVYCVBIHX-BLJGQIRFSA-N	635.749	4.384	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1Br	97982678	ZONCZTLRJQKTNQ-UHFFFAOYSA-N	548.371	4.378	5	40	KIBB	
Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1C	100354400	PWFSGVGYGWNMDI-GDLZYMKVSA-N	564.650	4.194	5	40	KIBB	
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1[N+](=O)[O-]	100363251	YBFUVZHIMQJJHF-UHFFFAOYSA-N	533.610	4.001	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1	260904331	IOXMQAUCWUKIII-SSEXGKCCSA-N	622.744	4.458	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	261024589	WISGSJAAFKASQS-GOTSBHOMSA-N	566.680	4.431	5	40	KIBB	
COc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c([N+](=O)[O-])c1	6163958	UZWXCZGXRNYDEE-SSDOTTSWSA-N	565.149	4.383	5	40	KIBB	
Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)COc5ccc([N+](=O)[O-])cc5)ccc4n3C)CC2)cc1	9110451	XCNDHMIRFHKOHJ-UHFFFAOYSA-N	528.613	4.172	5	40	KIBB	
CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)cc2Cl)CC1	14276793	XJTIWWZXFTUNBJ-UHFFFAOYSA-N	504.012	4.132	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccccc4)o3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	103603287	UBRPLIXXZQRGMC-INJUALFYSA-N	547.614	4.451	5	40	KIBB	
Cc1c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]	107714779	WLVPNAUSDFPNLS-UHFFFAOYSA-N	518.389	4.495	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	224997399	OCEFDZZFYXRWKQ-SANMLTNESA-N	661.575	4.297	5	40	KIBB	
CC[C@@H](C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225279817	LZGGNNSTGZTPLF-UXHICEINSA-N	519.620	4.347	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O	260751136	BHMRLCRZQYHSMA-LJQANCHMSA-N	565.092	4.189	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	260815707	WKBXDPBGFHNJGV-QGZVFWFLSA-N	585.510	4.452	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224437167	AJIHHVBTKRZYGN-SANMLTNESA-N	661.575	4.298	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1Cl	408553182	OUGATDBLCWKMNF-UHFFFAOYSA-N	505.936	4.384	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408733561	KAIQPVKBRJJSMU-VVOOWDFBSA-N	550.980	4.015	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1)c1ccc([N+](=O)[O-])cc1	409177373	FZXCAWCWGCGVRP-UHFFFAOYSA-N	637.513	4.383	5	40	KIBB	
O=C(CSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1)Nc1ccccc1[N+](=O)[O-]	409337922	ZNVSVYPGNYFTTP-GETUCHRZSA-N	506.565	4.247	5	40	KIBB	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cccc(I)c1	409367524	DCGXBFULDGGRDW-ZRDDSIGQSA-N	522.298	4.076	5	40	KIBB	
COc1ccc(-n2c(=O)c3ccc4c5ccc6c(=O)n(C)c(=O)c7ccc(c8ccc(c2=O)c3c48)c5c67)cc1	5706911	SZQGIBYAVTVCPX-UHFFFAOYSA-N	510.505	4.498	5	40	KIBB	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O	29749333	HXIWTXOQYLDIPF-UHFFFAOYSA-N	502.399	4.168	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccccc1OC	409274571	PSBIXAIGSAZEEW-CVXGXVHTSA-N	603.745	4.257	5	40	KIBB	
O=C(COC(=O)C1CCC(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1)c1ccc([N+](=O)[O-])cc1	8722280	XAXACULRIJSEAR-UHFFFAOYSA-N	505.310	4.483	5	40	KIBB	
COc1cc([C@@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc(OC)c1OC	19816628	RWVMDZRHMSDMQD-HNNXBMFYSA-N	521.555	4.263	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	100745966	ICXKMSRJMBPJHQ-FUFNRSNVSA-N	619.652	4.382	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1Cl	100841331	BYGRCQHXAQHEIT-XSZPGNIMSA-N	580.018	4.246	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1	222755113	BUKARUMEIRUWFO-QFIPXVFZSA-N	566.680	4.431	5	40	KIBB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)O)o1	408631810	GNRIUJUIEJCTJF-ODLFYWEKSA-N	518.935	4.361	5	40	KIBB	
CN(CCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Cc2cccc(Cl)c2)n1	585265199	BFQMGZBGJNZFOJ-UHFFFAOYSA-N	566.039	4.427	5	40	KIBB	
COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O	14278986	GQVKBYYREUWLKP-UHFFFAOYSA-N	501.495	4.466	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OC)c(OC)c3OC)[C@@H]2C1=O	97955184	ZYJAUJFJYYVXMJ-ZEVJAHDQSA-N	549.536	4.070	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1	225117125	WUQAMUDITSHIMV-PMERELPUSA-N	622.744	4.377	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408553447	ZEAUTDUTEHIUCL-UDWIEESQSA-N	623.425	4.446	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	6227703	ZCMHPYCETDWTPB-LNXFQTKESA-N	573.583	4.004	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1	6545172	STYMIBAFAFNLLF-RISWYLRJSA-N	586.582	4.407	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSCc2ccc(C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	104708314	ZNMCYWLKNWSTTN-UHFFFAOYSA-N	559.666	4.165	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1	222719476	HCGSPENOQZBJEG-QFIPXVFZSA-N	566.680	4.431	5	40	KIBB	
CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224490254	JQRWSBCVSGQBIJ-HSZRJFAPSA-N	566.680	4.022	5	40	KIBB	
CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)c1	1315819	IWQXEEHDZDOYMZ-FXSPECFOSA-N	549.536	4.070	5	40	KIBB	
O=C(c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	100543066	OWEXDGQBJIOJNG-UHFFFAOYSA-N	562.450	4.335	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	197831064	MNZZAFHWVMHFHU-UHFFFAOYSA-N	656.695	4.255	5	40	KIBB	
Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1=O	408652506	OVEHJDVNMHCRPP-OAQYLSRUSA-N	516.506	4.210	5	40	KIBB	
Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	100354021	LXEDAVBUBZTBAC-GDLZYMKVSA-N	564.650	4.194	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccccc1I	108077552	DFCNWYIBRSQAFR-UHFFFAOYSA-N	579.464	4.027	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	163670099	BLMRWAUIEUKIFJ-YRSDHNRQSA-N	646.634	4.424	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222721534	QCSBSHQBOZJNTM-DEOSSOPVSA-N	623.515	4.062	5	40	KIBB	
CC[C@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224549675	KGAHPXQYGRVFQI-QGZVFWFLSA-N	521.646	4.230	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	225192719	CTGFHZGZDXNJSS-UHFFFAOYSA-N	539.595	4.264	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225479979	RAUMFWZKJPKOQP-NDEPHWFRSA-N	598.697	4.365	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	261000039	PNCSFYJLYKUKAF-GDLZYMKVSA-N	622.744	4.377	5	40	KIBB	
COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	2324937	UKTSXBGQGMWYDJ-UHFFFAOYSA-N	511.516	4.108	5	40	KIBB	
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22827065	CCDNUPNKVHDYOE-UHFFFAOYSA-N	503.540	4.366	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NN(c3ccccc3)[C@@H]2C1=O	100841657	RSNFWRSXIRZHGG-IRLDBZIGSA-N	521.327	4.148	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)cc1	103552139	IUTWYLKQEPPCIC-XPGKHFPBSA-N	507.502	4.196	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccc(C)cc1	103629581	OISJCZSWQSFJLL-MXNGAVTRSA-N	506.562	4.118	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	105317512	PEURLISSXQWEED-UHFFFAOYSA-N	530.031	4.399	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225367767	JRXAKYDQFMCEFX-MHZLTWQESA-N	582.679	4.132	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408942762	RJHIQRFROOOYSH-ABBNRAPFSA-N	578.691	4.340	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	100815399	YUIZUAVGNNIZDO-AQIZGWBQSA-N	547.564	4.414	5	40	KIBB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	138656089	UZLUEQVESXQXBO-GETUCHRZSA-N	516.337	4.173	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1	225113966	AJJQZLXMTUPEOZ-LJAQVGFWSA-N	608.717	4.068	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408645416	SHYAMBYZGZBEDG-YPKJATJDSA-N	540.359	4.195	5	40	KIBB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1Cl	408683531	LNPFBQMOXBPYNY-CALCHBBNSA-N	502.310	4.093	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408683991	MTFYHTSTWUXGMY-VOBQZIQPSA-N	500.349	4.336	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1	409145975	PHZMAKBSIHTABS-ZDGAQAAHSA-N	605.673	4.404	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl	409196623	WYRAEGDBHOQLFT-BUDOKORBSA-N	562.829	4.122	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	409271690	LEGWZTRSQYZDLA-OEAKJJBVSA-N	525.583	4.477	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3C)C2=O)o1	409399543	JSUCHWJINUXOCO-GRSHGNNSSA-N	613.377	4.156	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	14360466	NZVLSFBSSFIPCU-UHFFFAOYSA-N	503.920	4.269	5	40	KIBB	
O=C(c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	100495405	RSKCHTAHSDCVBV-UHFFFAOYSA-N	562.450	4.335	5	40	KIBB	
O=C(Oc1coc(CSc2nnc(NC(=O)c3cccs3)s2)cc1=O)c1cccc([N+](=O)[O-])c1	101036560	FWPYGKOCCSOVFZ-UHFFFAOYSA-N	516.538	4.225	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	110144692	IDXSCGVXVNRSIM-GVMLUORFSA-N	587.610	4.062	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222643638	HNOOPZGRKKIYTH-KRWDZBQOSA-N	579.462	4.260	5	40	KIBB	
COc1ccc(Cl)cc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C	409140545	FKDBQDZCLQUTPR-HXUWFJFHSA-N	533.010	4.243	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccc(SC)cc1	8400037	NJYKFEZZSPHWIY-ZJOBTTRRSA-N	655.802	4.318	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	8400050	CUKYSVSCQFJCKC-ZJOBTTRRSA-N	640.718	4.079	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)sc(C)c1C	8741582	XUBDRKSUSLFYIY-HBMCJLEFSA-N	507.524	4.111	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	163637815	BMJAFUIPNSATSW-BUDNTJSZSA-N	676.660	4.433	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1	248383113	ZGETZZNNHXRIDU-KEVKATSASA-N	507.502	4.070	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc2c1CCCC2	100766414	FIYGEGLBLLMZJD-ZLNRFVROSA-N	533.562	4.373	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224372748	YJLYJLFNCKOSJG-KRWDZBQOSA-N	573.499	4.166	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OC(C)=O	408789901	OKSSBJLFNKUQNX-PIXWUVMMSA-N	553.596	4.161	5	40	KIBB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21	409019110	VVDBGYZWTYBHDL-RGFRMHDHSA-N	633.679	4.309	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1	409104437	IRZKJQRXAFQQFO-FSFYKJEYSA-N	677.761	4.459	5	40	KIBB	
COc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	12587065	INMDMIGLMBBMKR-INIZCTEOSA-N	515.975	4.430	5	40	KIBB	
Cc1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Br	20452007	CSYBXMNJSYGDAV-UHFFFAOYSA-N	504.362	4.500	5	40	KIBB	
Cc1cc(C)c2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	100355114	VMGUFKTWIIPFTH-LJAQVGFWSA-N	564.650	4.194	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	101128884	JDEKMCAUEFMCIR-VJBWXMMDSA-N	554.353	4.426	5	40	KIBB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222634877	PHQFJMBGQCXOLK-NRFANRHFSA-N	552.653	4.122	5	40	KIBB	
COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O	225435682	BSCZHEGTFLDLPA-RPBOFIJWSA-N	564.649	4.338	5	40	KIBB	
O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCN(c2ccc(F)cc2)CC1	101501449	IOTJDFMWIOBAMB-UHFFFAOYSA-N	534.599	4.403	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	205682371	RXWRMAXRROQFCO-VCHYOVAHSA-N	598.371	4.386	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC(C)C	260757784	RYXWAFSCVYABOW-JOCHJYFZSA-N	552.653	4.040	5	40	KIBB	
COc1cc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc(OC)c1OC	408839475	SWZFFNXVVKZEPN-XDHOZWIPSA-N	504.451	4.184	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2=O)=N1	409043089	ZIQPGEHPJDPBPJ-LMSRTUJASA-N	586.582	4.407	5	40	KIBB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409247658	FJBXULJEQOZYHT-OEAKJJBVSA-N	530.537	4.276	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1cccc(C)c1	409360413	PSGNOQWTUYMWMJ-AWEZNQCLSA-N	502.984	4.390	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)sc2c1CCCC2	97993337	NRMQXNDENAVQLR-VABKMULXSA-N	533.562	4.373	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222611249	ANOZKYLISHCODH-SFHVURJKSA-N	607.060	4.063	5	40	KIBB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	223110849	KFNRUDCSEBMGMU-QHCPKHFHSA-N	610.733	4.482	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1	408644366	RASQOHCBWQYNDW-HKUYNNGSSA-N	516.337	4.483	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1	408685534	LJYZJGLDFWJEHN-NIJXNBFTSA-N	527.533	4.464	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(C)cc1	408997871	OQTILSQRWPUPLZ-ASSGYOTOSA-N	546.649	4.005	5	40	KIBB	
CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2CC)c1	409126163	NDLVSVOJFQSCDU-QFIPXVFZSA-N	554.629	4.241	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409135008	QRZPYMLWTZTFJD-FQEVSTJZSA-N	500.556	4.203	5	40	KIBB	
O=C(NS(=O)(=O)c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1)c1cc2ccccc2n1CCOc1ccccc1Cl	585269596	AHTHFFKKECGWOA-UHFFFAOYSA-N	628.107	4.145	5	40	KIBB	
COc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	97948301	XTCYEAIHRAXBAO-UHFFFAOYSA-N	562.531	4.178	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12	100989674	ICJHQWJPYHPIFN-YCAMKHIRSA-N	514.925	4.277	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	163730961	FXJKJFKLJBYEHG-NYIUWGNGSA-N	624.469	4.336	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223171546	UBPNAZHSUJMQAY-RUZDIDTESA-N	505.571	4.067	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1	260891809	RENGHUVJFMSVJE-MUUNZHRXSA-N	580.707	4.142	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc2c(c1)OCCO2	409196740	WYAMLRMHTZKUFO-FMQZQXMHSA-N	510.311	4.348	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	409256123	OAGZIZICODNBBP-NHDPSOOVSA-N	605.553	4.324	5	40	KIBB	
CS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1	102775989	PYHGFSKKECFSCV-JOCHJYFZSA-N	535.003	4.160	5	40	KIBB	
Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c([N+](=O)[O-])cc1C	103080029	ZFVHPUXINFYFKF-UHFFFAOYSA-N	605.044	4.311	5	40	KIBB	
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1	112242376	RWOOGYSQQBTASV-UHFFFAOYSA-N	588.694	4.447	5	40	KIBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223873645	PGODRFPYEPUPIH-OAQYLSRUSA-N	582.654	4.405	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC	409101846	ZCJDTYNINPCZJJ-CSJROMOCSA-N	572.643	4.280	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O	409221946	BUDIRNHUHIWHEM-MFOYZWKCSA-N	507.318	4.381	5	40	KIBB	
CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C	409347884	RIXJZIIBDPWEQY-UHFFFAOYSA-N	523.402	4.482	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222772258	SYEODVZPPCXYKF-RUZDIDTESA-N	607.516	4.362	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-]	224417707	SEPBDTVEYIJSLG-OAHLLOKOSA-N	512.390	4.479	5	40	KIBB	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br	409370645	CQVQTTPBSZVARW-CAZKKTPXSA-N	520.295	4.142	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cn1	409399737	LGJYKPVOXAOEAU-MFOYZWKCSA-N	634.339	4.258	5	40	KIBB	
COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c([N+](=O)[O-])c1	6163955	UZWXCZGXRNYDEE-ZETCQYMHSA-N	565.149	4.383	5	40	KIBB	
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC	12532940	NVRQMTXVZCNNMD-FQEVSTJZSA-N	509.540	4.137	5	40	KIBB	
CCOC(=O)c1ccc(N(Cc2ccncc2)C(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1	22832844	WUPUXAYOWPDJEW-UHFFFAOYSA-N	508.556	4.287	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	408554385	RUKBLYYBCJUYMP-UHFFFAOYSA-N	520.361	4.484	5	40	KIBB	
CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	409099658	RSHIBMBPJUEZEG-UHFFFAOYSA-N	662.146	4.351	5	40	KIBB	
Cc1c(O[C@H](C)C(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)ccc2c1oc(=O)c1ccccc12	2134722	NAZMVBQYJSVGOX-IQMFZBJNSA-N	500.507	4.021	5	40	KIBB	biogenic
Cc1cccc(C(=O)N2CCN(c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[N+](=O)[O-])CC2)c1	9008960	AMPVGELTKDRWHS-UHFFFAOYSA-N	502.615	4.420	5	40	KIBB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	138876088	UPDLALJKJZBSDA-GETUCHRZSA-N	516.337	4.173	5	40	KIBB	
C[C@H]1C[C@@H](C)CN(C(=S)S[C@H]2CC(=O)N(c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)C2=O)C1	245239584	KQVRIDOKPGLXNC-MFEFFIJZSA-N	569.661	4.262	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccs1	408638936	DQRDCTUGRDLZKD-UHFFFAOYSA-N	504.307	4.499	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@H]4C3=O)cc2)c1	408690016	TVIPMCRWGDVHRI-AGILITTLSA-N	557.559	4.472	5	40	KIBB	
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccc(Br)cc2)cc1	409059915	YTJVSVMKGYJAKS-UHFFFAOYSA-N	518.389	4.495	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4)C3=O)cc2)cc1[N+](=O)[O-]	409175393	REBOHVNLTGDALI-UUYOSTAYSA-N	571.564	4.485	5	40	KIBB	
O=C(COC(=O)C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Br	102937346	JBKRJXXIEURIBM-QHCPKHFHSA-N	606.426	4.357	5	40	KIBB	
COc1c(C)cc(Br)cc1C(=O)NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	105303884	GQMUNQZDJFCYFI-UHFFFAOYSA-N	527.828	4.165	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	105496825	CKFVZQGWENXPHZ-SUAMDDGLSA-N	589.626	4.292	5	40	KIBB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)C1	108828612	OHLSXGXNIWPXTD-OWCLPIDISA-N	523.995	4.099	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	224180105	STHWVNCUZYCQEE-MHZLTWQESA-N	580.707	4.224	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260944240	JCBITZFJMZHXNH-GOTSBHOMSA-N	566.680	4.431	5	40	KIBB	
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Br)cc([N+](=O)[O-])c3O)C(=O)O)o2)c1	408632200	HXRRZYKDYNUTFH-UUASQNMZSA-N	524.305	4.348	5	40	KIBB	
CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409136224	XVORYUWVCLRXCP-OZOXKJRCSA-N	502.641	4.120	5	40	KIBB	
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)Nc4cc([N+](=O)[O-])c(C)cc4C)ccc3OCC)nc12	2276290	SBEPAKSVWYGIQV-UHFFFAOYSA-N	540.602	4.001	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)sc(C)c1C	8741590	QAVGYZMLNOINKU-NJYVYQBISA-N	507.524	4.111	5	40	KIBB	
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc1[N+](=O)[O-]	100363457	KCRWQOJNWULWAQ-UHFFFAOYSA-N	533.610	4.001	5	40	KIBB	
COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	215994788	VSVHZGSCEZDAGT-UHFFFAOYSA-N	641.124	4.095	5	40	KIBB	
COc1ccc(CNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)cc1OC	224938282	SPCQOXGPEDYQLN-UHFFFAOYSA-N	533.990	4.162	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O)N1CCOCC1	409131256	MUQOMPHOGRXKAI-YBFXNURJSA-N	552.392	4.376	5	40	KIBB	
CCOc1ccc(CC(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1	17307658	QPJLZEMDEKAGQL-UHFFFAOYSA-N	521.551	4.469	5	40	KIBB	
CCOC(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(Cl)c1	22429843	ROPBUKKFAFQTRE-UHFFFAOYSA-N	517.947	4.259	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1Br	100957925	GRSUWPROKURUHL-UHFFFAOYSA-N	527.828	4.246	5	40	KIBB	
O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-]	105316185	QFMJZKDETKQNGZ-UHFFFAOYSA-N	524.002	4.337	5	40	KIBB	
O=C(Nc1nnc(CCSCCc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)s1)c1ccc([N+](=O)[O-])cc1	105622306	QLXPKTYAQDQJRW-UHFFFAOYSA-N	586.637	4.229	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCC(=O)OC	106729105	MPHCFSYIVYMJIJ-ZDLGFXPLSA-N	506.920	4.435	5	40	KIBB	
O=C(C(Cn1c(SC(C(=O)N2CCCCC2)C(=O)N2CCCCC2)nc2cc([N+](=O)[O-])ccc21)C(=O)N1CCCCC1)N1CCCCC1	150461382	OCBJEHNWLYJEAC-UHFFFAOYSA-N	681.860	4.071	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1	260752198	CULBSRUEDFMNJR-OAQYLSRUSA-N	582.679	4.131	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408640527	JEAZPZNVIREQEN-PKOBYXMFSA-N	513.506	4.219	5	40	KIBB	
COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1cccc(OC)c1OC)CC2	11726268	QRNLLBMWMUSIID-JOCHJYFZSA-N	508.527	4.448	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1	18129652	LSPPNXQHQXAJBH-MNPUUQGPSA-N	509.518	4.185	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225296738	LLMRITOZDWEPIG-HXUWFJFHSA-N	589.498	4.010	5	40	KIBB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)cc3C2=O)cc1	3334887	NNDJEUQIWSWTBZ-UHFFFAOYSA-N	523.885	4.243	5	40	KIBB	
Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)ccc1[N+](=O)[O-]	12311572	FBMODYTZYSSHAD-UHFFFAOYSA-N	504.543	4.361	5	40	KIBB	
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1	23182080	ZDHXSNGJHGAXFO-GAJHUEQPSA-N	504.609	4.026	5	40	KIBB	
COc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	101099946	QXBJMINUKGUESN-LIONHTAISA-N	544.951	4.411	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224051258	KVAZUXQXNBSQJA-MUUNZHRXSA-N	580.707	4.144	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-]	224345180	FITIJSXZQSEINX-HNNXBMFYSA-N	512.390	4.479	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224674204	UELMBNCXKVTNMH-JOCHJYFZSA-N	552.653	4.042	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261030549	XCAJLFDDYSUZGZ-HOTGVXAUSA-N	589.498	4.008	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408620069	MSRLBFRPRBIERO-UHFFFAOYSA-N	554.625	4.274	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408642147	DOVGTQXACBSOEN-CALCHBBNSA-N	502.310	4.093	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)N(C)Cc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409111953	AWEFGQCSECXROS-UHFFFAOYSA-N	517.991	4.419	5	40	KIBB	
COc1ccc(NC(=O)CSc2nnc3c4sc5nc(N6CCOCC6)c6c(c5c4ncn23)CC(C)(C)OC6)cc1	53319371	IMQPZKGIWDFLHF-UHFFFAOYSA-N	591.719	4.315	5	40	KIBB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	59883016	KFXLQGQXRLECLV-UHFFFAOYSA-N	584.607	4.369	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733705	OHEOFNXCUJQIFN-QARYAGPDSA-N	559.600	4.284	5	40	KIBB	
CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])cc(Br)c4O)c(=O)n32)cc1	408925738	SPJLWPSYFYXJLL-BYHQVZLYSA-N	604.504	4.285	5	40	KIBB	
CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409087503	CTBYBHRZLCQARZ-UHFFFAOYSA-N	525.264	4.186	5	40	KIBB	
COc1ccc(Cl)cc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1	409170652	WUJFJQCNOOTKJG-IBGZPJMESA-N	518.983	4.233	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)C2=O)o1	409400315	OHFWNIVBQCZAIQ-ODLFYWEKSA-N	556.325	4.409	5	40	KIBB	
Cc1c(O[C@@H](C)C(=O)N[C@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)ccc2c1oc(=O)c1ccccc12	2134721	NAZMVBQYJSVGOX-NPMXOYFQSA-N	500.507	4.021	5	40	KIBB	biogenic
CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1C	3361292	PBVJHGAECXSHFQ-GOSISDBHSA-N	541.582	4.311	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	103629238	VNMWJISJWWWJGJ-BFLUQSEFSA-N	585.444	4.207	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1	222534967	VRPFMWRQBGOFGK-LJAQVGFWSA-N	594.734	4.390	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)cc1	408649945	LUUZJFSCLMTXJD-WIJPHRNOSA-N	617.636	4.108	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1	409031009	GFNOPBMSTHAMJU-CSJROMOCSA-N	585.638	4.294	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1	409103463	HDBVHVHKRLKOPQ-WWFXOLRUSA-N	647.735	4.451	5	40	KIBB	
C[C@@H](CO[C@@H](C)C[N+]1(Cc2ccccc2)CCOCC1)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)O	4416439	CUFCDCINRRYJKH-UMQSSXSOSA-N	642.895	4.250	5	40	KIBB	
CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	105316631	CRCJUQLIAMENFA-UHFFFAOYSA-N	559.092	4.424	5	40	KIBB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223344127	IMOQSYSNXOSOHG-NRFANRHFSA-N	553.081	4.045	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409099450	SNTCJPBLNUXIFN-UQDCTOEPSA-N	620.659	4.428	5	40	KIBB	
CCOC(=O)c1c(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)sc(C(C)=O)c1C	409168815	NVCPOPVXXDAOPP-LJQANCHMSA-N	588.668	4.320	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1[N+](=O)[O-]	2230470	NFMLCONVMFSMGL-UHFFFAOYSA-N	506.544	4.171	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCc4ccccn4)cc3c3ccnc2c31	8792419	XQMURXUAYTWVCH-INIZCTEOSA-N	508.534	4.088	5	40	KIBB	biogenic
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1[N+](=O)[O-]	59331795	ARHBOHVIEMIKFK-UHFFFAOYSA-N	523.590	4.192	5	40	KIBB	
CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]2c2ccccc2[N+](=O)[O-])cc1	72986157	NNAJDHNUKIQDHF-AREMUKBSSA-N	537.569	4.362	5	40	KIBB	
O=c1/c(=C\c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1	100956999	PBHGXBNQDOOHBR-JGTYQCAFSA-N	560.975	4.494	5	40	KIBB	
C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc(I)cc3)cc2[N+](=O)[O-])C1	103093233	WIGCVODXYFGGNV-AWEZNQCLSA-N	523.327	4.231	5	40	KIBB	
O=C(NC(=S)Nc1ccc(I)cc1C(F)(F)F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105314716	AQCCYBBDRGLTOM-UHFFFAOYSA-N	580.326	4.182	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	222610711	MJWZQUGQCARZNS-MHZLTWQESA-N	631.151	4.435	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222823091	FJBRWMJZHRCZRP-MUUNZHRXSA-N	626.732	4.448	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	261015116	VBCVGPGGLCKTJY-RTWAWAEBSA-N	570.643	4.261	5	40	KIBB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl	408687215	TXGNLWJKNINRQA-UHFFFAOYSA-N	543.275	4.346	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OCC	408739020	RMGNDBCAUGCHJB-SJJVXOANSA-N	559.600	4.365	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408827818	VAOVRKSBHIWDEW-FJWZAKCXSA-N	663.490	4.107	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)o1	409147457	XXWUULNWUXDGNF-BUVRLJJBSA-N	564.576	4.375	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1	100178053	KASOZKVYYWTXON-XXMKCSCWSA-N	529.574	4.275	5	40	KIBB	
Cc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1C	100342271	SWZPKGCMHQIFRT-GDLZYMKVSA-N	564.650	4.194	5	40	KIBB	
O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	103000985	RDMKJQJLJCFVBW-UHFFFAOYSA-N	591.023	4.373	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223344015	NPBVWRGQWMTWGK-QDPGVEIFSA-N	610.733	4.233	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225298200	XCAJLFDDYSUZGZ-HZPDHXFCSA-N	589.498	4.008	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408563991	BWNMILPUZFOCRH-MQVPCNEGSA-N	553.369	4.458	5	40	KIBB	
CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408919753	BYTMGQLCLDDFSK-RZXXJPOTSA-N	604.504	4.285	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409167875	JQVUNHKYODCACE-FBHDLOMBSA-N	550.505	4.194	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1	2286060	FOPBUBPLXXMXES-VZIOXZNFSA-N	535.965	4.230	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N\C(=O)c1ccc(Cl)cc1	101135235	XZAZTZVOUKKENP-GDWJVWIDSA-N	537.016	4.344	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	105317817	PMMKRYJYJPWCAL-UHFFFAOYSA-N	562.652	4.267	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224915841	SIVGONXFIDGEKX-MUUNZHRXSA-N	596.706	4.378	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225321305	COFFBHYRUFHGAE-QHCPKHFHSA-N	513.591	4.247	5	40	KIBB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	245312059	SASMKRFOAOLSTI-OPJUNPOJSA-N	535.603	4.031	5	40	KIBB	
COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O	408639655	GPILGRYSUHGDEP-HNNXBMFYSA-N	549.923	4.324	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408726653	OYTBLQYNVSIDFE-KEPJHFNWSA-N	615.664	4.303	5	40	KIBB	
Cc1ccc(O)c(C(=O)c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)n(-c3ccc([N+](=O)[O-])cc3)c2)c1	15911514	PDIHOAAAFREMDA-UHFFFAOYSA-N	514.450	4.151	5	40	KIBB	
COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	97954900	HNVLDXYMDUHYGF-BDTNDASRSA-N	524.327	4.417	5	40	KIBB	
COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)CC2)cc1	105352066	SHJFOVYVTKQZSK-UHFFFAOYSA-N	533.610	4.001	5	40	KIBB	
O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)[C@H]31	170623244	KVEXQSMVCLEQPB-WCAUZTQZSA-N	628.084	4.135	5	40	KIBB	
CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225321339	COFFBHYRUFHGAE-HSZRJFAPSA-N	513.591	4.247	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408948989	RUUBECXJBKQGTD-PLQXQRLBSA-N	596.017	4.247	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc(N2CCOCC2)cc1	409192813	BRXREJBNJVQRJK-HAHDFKILSA-N	561.576	4.294	5	40	KIBB	
CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1[N+](=O)[O-]	32752696	ZUXVBBHMGOISBW-DEOSSOPVSA-N	501.518	4.284	5	40	KIBB	
O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1	105316190	VWHDEOYFGBUNCC-UHFFFAOYSA-N	524.002	4.337	5	40	KIBB	
COc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)C(C)C)cc1	107998997	RJADVASFNKOKGG-FQEVSTJZSA-N	533.010	4.243	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224030380	GCFKWFDFNJHXEK-HXUWFJFHSA-N	633.123	4.323	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O	260824431	YCARPASISNBDGI-LJQANCHMSA-N	565.092	4.189	5	40	KIBB	
Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)c1	409140771	IMRWDKOYUVUIND-OAHLLOKOSA-N	537.627	4.377	5	40	KIBB	
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCc4ccccc4[C@H]32)C(=O)N1c1ccc(Cl)cc1	12360047	OCTWHJYZKKWRBY-NVQXNPDNSA-N	502.914	4.178	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1	100305007	YFNXYBUWXMYLSY-RGFRMHDHSA-N	585.638	4.294	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])[C@H]2C1=O	101176465	QWUODKRCDPQNSH-SDHSZQHLSA-N	519.510	4.062	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	138728723	XFWJBKDPWOESCC-RPVQJOFSSA-N	500.895	4.135	5	40	KIBB	
NCCCC[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)OCc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	150400350	DMMUUUSPVBZVPJ-KVBYWJEESA-N	799.834	4.021	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	223999621	WKBXDPBGFHNJGV-KRWDZBQOSA-N	585.510	4.452	5	40	KIBB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225679704	CTQMYUNWTHMXNO-OAQYLSRUSA-N	570.643	4.119	5	40	KIBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	261009325	TZTYPMHLZVUAQV-ZHRRBRCNSA-N	573.499	4.390	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1Cl	1790988	DZUSYHKUVKCYCN-GJFKPFFXSA-N	580.018	4.246	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1F	33630256	RGWGRBXKXJGJQE-GFCCVEGCSA-N	506.947	4.221	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21	40399554	IQYZKZXTNVUSEY-LBPRGKRZSA-N	503.302	4.101	5	40	KIBB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3c(c2)c(=O)oc2cc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)ccc23)C1	102415377	VCSDKODEQFMNRE-LWYYNNOASA-N	546.711	4.279	5	40	KIBB	
COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2)cc1Cl	12529247	VXAIBIZLYYPMBV-OAQYLSRUSA-N	518.931	4.197	5	40	KIBB	
CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl	22248221	WTBIHHLHEZVOOE-NRFANRHFSA-N	517.991	4.484	5	40	KIBB	
O=C(CCC(=O)OCC(=O)c1ccc(Cl)cc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	97948116	YNZFMYWZMZWLOM-UHFFFAOYSA-N	552.923	4.433	5	40	KIBB	
Cc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1[N+](=O)[O-]	100824134	TWMVBRGFKBZQGV-UHFFFAOYSA-N	522.495	4.358	5	40	KIBB	
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)sc(Cc2ccc3c(c2)OCO3)c1C	103081114	UOMKEXHWAIVNEN-UHFFFAOYSA-N	532.552	4.318	5	40	KIBB	
Cc1ccc(C(=O)c2c(NC(=O)COC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)sc3c2CCCC3)cc1	103128481	GQPLQKXEODGYBQ-UHFFFAOYSA-N	556.618	4.274	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222646729	YRLMHERKNFYRNU-HSZRJFAPSA-N	510.388	4.286	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	261067038	OXBOMQRFPNRGRW-IADCTJSHSA-N	610.733	4.233	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1	9318292	PWIOCAWDPSREDL-QUMGSSFMSA-N	509.518	4.310	5	40	KIBB	
CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1	59331722	LAJQHYYZQPRZKU-UHFFFAOYSA-N	521.599	4.430	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc(OC)c(OC)c1	100820905	TWTAFHUCTOCPNV-ZXPTYKNPSA-N	530.581	4.089	5	40	KIBB	
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[C@@H](C(=O)c1ccncc1)[C@@H]1OC(=O)c2ccccc21	102933246	KHVQTKNNPACEFM-DYESRHJHSA-N	514.277	4.215	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223006743	BHPWTURQGPEFKD-HXUWFJFHSA-N	647.548	4.423	5	40	KIBB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1	224775503	OPKWGTIIQNBDLH-NDEPHWFRSA-N	578.691	4.060	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409103710	BLGCTBPWGYDDNJ-SRKIZSPNSA-N	605.898	4.133	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=Cc5ccccc5N4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	9186576	ZGETZZNNHXRIDU-QUMGSSFMSA-N	507.502	4.070	5	40	KIBB	
COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc2c1	15911747	KKJWUEDPGHFDSA-UHFFFAOYSA-N	514.541	4.276	5	40	KIBB	
COc1c(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2ccccc2c1Br	105303553	QVLSEFFIWOXXSC-UHFFFAOYSA-N	529.416	4.356	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	105497544	CHDWQIWZBXQUCR-YVBHXKDBSA-N	615.664	4.303	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	163763721	VPQZUUYIPDVIEJ-KCQXITDRSA-N	630.591	4.136	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223407584	CENWFNQHFIXOPT-KRWDZBQOSA-N	573.499	4.310	5	40	KIBB	
COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408566668	OIGLHQDAYDALLZ-SQOVJYTMSA-N	538.944	4.358	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@@H]5c5ccccc5)[C@H]4C3=O)c2)c1	408686221	MXMAQQBEZJJIHH-RDQYFYOJSA-N	569.570	4.328	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733706	OHEOFNXCUJQIFN-ZSJKCPIUSA-N	559.600	4.284	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC	408942819	LJDAFLDARVOSMY-ROVVGBDQSA-N	589.626	4.292	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409410386	WEGQHPWERWPSEB-GXOHKFNASA-N	561.503	4.085	5	40	KIBB	
CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(Cl)cc3)C=C2C(=O)OC)cc([N+](=O)[O-])c1O	35877083	LLYOJFKAGFQZHV-UHFFFAOYSA-N	502.907	4.066	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N\C(=O)c1ccc(Cl)cc1	101116273	MZTOJAJRLLSARN-KRUMMXJUSA-N	522.989	4.036	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225108316	LJJXFKHZNXFUNX-HHHXNRCGSA-N	566.680	4.432	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)CN2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1	408665522	TZMYGFFBZLHLPQ-DDBVPJQNSA-N	552.370	4.135	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccccc2)cc1Cl	409143453	NHGAQCZMZZGCJN-UHFFFAOYSA-N	505.936	4.099	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)C(C)(C)Oc1ccc(Cl)cc1	101177195	IXNHZEIZQZEOJH-JJKYIXSRSA-N	522.989	4.345	5	40	KIBB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	102558642	SOCZUBKHWHVTLQ-ZONZVBGPSA-N	571.567	4.414	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C	224208116	XOSMHGATTFTPFM-MHZLTWQESA-N	580.707	4.224	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	261029288	WZNHFEARZJGXHP-GOTSBHOMSA-N	566.680	4.165	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	409100988	WHWZRQCYKFGIKN-GKKFRVOYSA-N	586.670	4.182	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1	409168098	KDCMSIDDCNMCAR-JAYSWQADSA-N	559.600	4.202	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	16038080	VEJLLEOZYHEJOX-QUMGSSFMSA-N	507.502	4.196	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1	101186243	IKQUMOKDPCFEJQ-DSITVLBTSA-N	519.510	4.149	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1	105498772	ZCVDSBDELDLSEV-VPHSIRQSSA-N	615.664	4.303	5	40	KIBB	
CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	106374959	IZZIXERNKZHSQU-UHFFFAOYSA-N	559.092	4.424	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1	224802352	ZGWNWJIFZJAQKE-LJAQVGFWSA-N	592.718	4.368	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037984	ZBRLLQAEFRJTJG-QEEORQGDSA-N	718.697	4.358	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(OCC)cc1	409196058	SOMPZDIWIOXACH-WYWXSHKMSA-N	562.431	4.412	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)o1	409196067	NAJHYBVXHUGBAV-WSDLNYQXSA-N	537.506	4.310	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccccc4F)c([N+](=O)[O-])c3)C2=O)o1	409399088	HSOCMQKBXYSDJM-NVMNQCDNSA-N	529.864	4.439	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N\C(=O)c1ccc(C)c(C)c1	101127721	XPELSXMDWIRRSY-MXNGAVTRSA-N	530.625	4.307	5	40	KIBB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223388624	JJRWMMSMGIVORL-NRFANRHFSA-N	553.081	4.045	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225639324	NSQYLHVQKOWZOJ-HSZRJFAPSA-N	511.962	4.022	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260704411	ALWUEHWPAKSPLB-HSZRJFAPSA-N	596.706	4.357	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260986141	OZXFXIOJKQFUIV-AVRDEDQJSA-N	553.081	4.045	5	40	KIBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1	409126333	FLFLYGIYTRZANW-UHFFFAOYSA-N	509.375	4.174	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409183891	UQVSGBVHDWDYFB-KHVWPYCOSA-N	637.306	4.246	5	40	KIBB	
CC[C@@H](C)Oc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-]	409399698	KTSUJORICFBESR-SHLUWWQESA-N	522.308	4.007	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408647750	VMQXZLYFQUPGEA-DSJQIVRYSA-N	636.573	4.015	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	408974729	CQTDNUWBOHVFKN-ZGOFBEGVSA-N	589.626	4.374	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cc(Br)ccc1Cl	101177128	CWNYWYCIQVXSKD-BQMVIJPOSA-N	585.842	4.162	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)/C=C/c1ccc(Cl)cc1	101221862	CBOOFHASEKLYMM-AYZTVITHSA-N	547.011	4.107	5	40	KIBB	
CCOCCCn1/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	101758627	RPBDQCKAZYYKMB-FSRJSHLRSA-N	530.625	4.291	5	40	KIBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(=O)c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])c1	102869782	RGAVMJKNJWJAIJ-UHFFFAOYSA-N	586.617	4.097	5	40	KIBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223994107	AAQUDCGLWYXHNE-MRXNPFEDSA-N	571.483	4.144	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034635	HUXAVHHSXSTOMI-PQNXSAFSSA-N	717.753	4.245	5	40	KIBB	
CCCCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409259127	ZTNURCYBLPLPPH-UHFFFAOYSA-N	554.625	4.276	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)C(c1ccccc1)c1ccccc1	103629199	OZMWEWMJUWAAOX-XAUNVLFDSA-N	562.626	4.264	5	40	KIBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408567314	QWUSITZBKCBFET-RHLLLVCUSA-N	508.918	4.395	5	40	KIBB	
COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n21	408957568	TYGAKXNKJCKLSZ-WQLLJXGDSA-N	667.332	4.334	5	40	KIBB	
CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2CC)cc1	409148946	UUYXLNJSGVCSBM-JOCHJYFZSA-N	554.629	4.241	5	40	KIBB	
CC(=O)Oc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O	409194125	ODMGQISVKFZMME-CHHVJCJISA-N	510.094	4.390	5	40	KIBB	
Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	20079705	CSQWWXNICIKQNI-AREMUKBSSA-N	528.617	4.066	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc3c(c1)OCO3)N1C=Cc3ccccc3[C@@H]21	101115384	OGDFZUCTTIDXJD-QYOOZWMWSA-N	523.501	4.030	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	222635984	ORTZBDJHJVVNHR-QHCPKHFHSA-N	556.413	4.131	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	260752219	CUQVXZHTLPGERQ-OAHLLOKOSA-N	589.498	4.008	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409198230	AGWOEWGSGRASJD-PKAZHMFMSA-N	652.707	4.065	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1	409398474	BCFQMAFFBTVKQN-GRSHGNNSSA-N	541.900	4.308	5	40	KIBB	
Cc1ccccc1C(=O)N1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1	9892490	LPRGGIXCRUYOSK-UHFFFAOYSA-N	502.615	4.420	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@H]3Sc4nc(S)sc4[C@H](c4cc([N+](=O)[O-])ccc4O)[C@@H]3C2=O)cc1	16711920	SICVVHNLIJEGHR-RYRKJORJSA-N	515.594	4.240	5	40	KIBB	
CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N12	100786912	BGGHYNLSYCAQES-BUZMGHMJSA-N	517.925	4.354	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cccs1	103751891	GSDOXXAASAFELL-XSZPGNIMSA-N	561.641	4.347	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223218554	VQMIRYMBQQSOEH-VWLOTQADSA-N	505.571	4.067	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1	409107876	XLLGZXFCGUCWCC-ASSGYOTOSA-N	617.709	4.437	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409178737	OBGJWCSDVLGQQD-KMBIYUNPSA-N	587.610	4.062	5	40	KIBB	
O=C(Nc1ccc(Br)cc1F)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	828600	XQXWZFFQIWWMER-HXUWFJFHSA-N	512.291	4.342	5	40	KIBB	
Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	6193560	JLFPSWFZXNZNCU-MHZLTWQESA-N	542.644	4.456	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	8443336	ZHKHYCCEVOIRRU-CRCYZHLCSA-N	616.608	4.416	5	40	KIBB	
Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21	13811733	ADMFIICMWZIGRN-NBCVKUGOSA-N	500.580	4.425	5	40	KIBB	
C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	103093155	CNCLCHHJVXUODY-AWEZNQCLSA-N	595.508	4.370	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1	111465928	DIMFSSXWJIUEBU-MFCBUNOESA-N	589.626	4.372	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225361374	ZCVMSYJRJSJKFC-DHIUTWEWSA-N	626.732	4.448	5	40	KIBB	
O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408638328	BWDXZALGFCJIRX-AWEZNQCLSA-N	550.321	4.116	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1C	409357948	KZVFREFLMKLZMM-UHFFFAOYSA-N	509.375	4.251	5	40	KIBB	
O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C4=O)cc2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	8398444	FBMRLYAIDRKUKF-UHFFFAOYSA-N	670.463	4.358	5	40	KIBB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)Nc4cc(C)c(C)cc4[N+](=O)[O-])cc3C2=O)cc1	15980393	AHKZGUUWJMOECX-UHFFFAOYSA-N	517.494	4.206	5	40	KIBB	
C[C@@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1	97945600	CCGMTWCCAVTJKJ-GOSISDBHSA-N	532.505	4.168	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12	101104176	UEGVIOWJDSMQJJ-LWSSLDFYSA-N	559.376	4.386	5	40	KIBB	
O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1	105637814	IVVUZNFYYUKEHQ-UHFFFAOYSA-N	527.274	4.100	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	224856339	BJXPZKDLDHJHRF-LJAQVGFWSA-N	622.744	4.377	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225267770	KCPNSIIBNQLLGC-IAGOWNOFSA-N	573.499	4.308	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1	409042963	LXYGPCOOPVNMSR-DBXPASCUSA-N	555.612	4.286	5	40	KIBB	
CCc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1	1315894	RADCEGHLIMOCJX-FXSPECFOSA-N	533.537	4.234	5	40	KIBB	
COc1ccc(N(CC(=O)NCCCc2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	12624750	WAEUAGFHZZKMQW-UHFFFAOYSA-N	517.991	4.201	5	40	KIBB	
CCCCOc1ccc(C(=O)/N=c2\c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2Cc2ccco2)cc1	101177282	NRLARBXZIBLORF-QVAGMWBUSA-N	540.576	4.387	5	40	KIBB	
COc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br	101180513	ZVLJIPOFYVHUDN-VJBWXMMDSA-N	538.354	4.413	5	40	KIBB	
COc1ccc(CCn2c(=N)c(S(=O)(=O)c3ccc(Br)cc3)cc3c(=O)n4cccc(C)c4nc32)cc1OC	101341226	OQQQWETUDKTLNI-UHFFFAOYSA-N	609.502	4.292	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	107854338	HCZCHQXKYFIFGS-ZDGAQAAHSA-N	547.564	4.414	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	222775857	KDYNMQOCCOGZCR-NDEPHWFRSA-N	598.697	4.221	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223477793	OAVRCHZSYFNSIQ-QFIPXVFZSA-N	582.679	4.132	5	40	KIBB	
CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223925869	OLQCNTBDHJNNSU-OAQYLSRUSA-N	603.525	4.400	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(NC(C)=O)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408613753	XVMLXJIBANEMAA-UHFFFAOYSA-N	546.989	4.358	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc([N+](=O)[O-])cc1	408639858	GKYPNCSSAHTOIW-UHFFFAOYSA-N	543.275	4.346	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccncc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408733560	KAIQPVKBRJJSMU-JUTHHCEFSA-N	550.980	4.015	5	40	KIBB	
CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409136222	XVORYUWVCLRXCP-LDQXTDLNSA-N	502.641	4.120	5	40	KIBB	
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	409378486	PYYVMGBZVYTUBK-WOJBJXKFSA-N	547.303	4.376	5	40	KIBB	
C[C@@H](CO[C@H](C)C[N+]1(Cc2ccccc2)CCOCC1)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)O	4416440	CUFCDCINRRYJKH-PYVNSSTDSA-N	642.895	4.250	5	40	KIBB	
O=C(OC[C@@H](O)[C@H](O)[C@H](O)C(SCc1ccccc1)SCc1ccccc1)c1ccc([N+](=O)[O-])cc1	4990463	DHRPASIRUCDCDZ-SGNDLWITSA-N	529.636	4.027	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	44884193	MXZZYGNFMKTENG-QGZVFWFLSA-N	501.536	4.124	5	40	KIBB	
COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OC)c([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1OC	104658796	INQVJQQCDNUZKJ-ZJTZAHLKSA-N	555.612	4.253	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222994115	CQJUOQWZQMRFMH-LJQANCHMSA-N	603.495	4.106	5	40	KIBB	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-]	409368224	PYPLDPZCLQAQDU-CAZKKTPXSA-N	520.295	4.142	5	40	KIBB	
C[C@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	3324707	ZTSXUVQGJWQBHE-LBPRGKRZSA-N	527.584	4.187	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12	103534016	CRGUNCJDWJDPDE-CWBXHPNXSA-N	500.898	4.010	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	222840003	ARCJXJCNBUXHEO-RUZDIDTESA-N	507.612	4.223	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)cc1	408640391	HUVZPCQCUCEHNV-USYGTZDMSA-N	605.603	4.416	5	40	KIBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408651704	NWFYFZROLVETET-GOSISDBHSA-N	567.348	4.356	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3ccccc3Cl)C2=O)o1	409398347	DAPMBWDMPAXDDE-ODLFYWEKSA-N	511.874	4.300	5	40	KIBB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCCCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)[C@@H]21	604404956	KIPKWIWDFXMOOX-HSNRCERBSA-N	641.681	4.095	5	40	KIBB	biogenic
CN1CCC(CNC(=O)CCC(=O)[C@H]2CC(C)(C)[C@@H]2CCc2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)CC1	643587558	GEXFVPPXTDWURZ-BJKOFHAPSA-N	509.651	4.387	5	40	KIBB	
CCS(=O)(=O)c1ccc(NP(=O)(Nc2ccc(S(=O)(=O)CC)cc2)c2ccc([N+](=O)[O-])cc2)cc1	1870323	REORHDDRRQGCHK-UHFFFAOYSA-N	537.556	4.225	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1	3280740	GVNYJPRGJZDIDA-LVMGUKCRSA-N	513.510	4.435	5	40	KIBB	
N=c1c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(Cl)cc1	101355274	MJDYWKOHBONGAJ-UHFFFAOYSA-N	555.841	4.426	5	40	KIBB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)c(=O)oc2cc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)ccc23)C1	226621485	VCSDKODEQFMNRE-IYWMVGAKSA-N	546.711	4.279	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408640615	JQIDMXIOHJADIK-OAHLLOKOSA-N	564.348	4.425	5	40	KIBB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	409018115	RIHYCAYBXOFSCD-OEAKJJBVSA-N	530.537	4.412	5	40	KIBB	
O=C(CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	990360	WACMGBHURZBOAM-UHFFFAOYSA-N	506.081	4.231	5	40	KIBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2nc(O)c3nnn(Cc4ccc(Cl)cc4Cl)c3n2)CC1	1325051	XYSMUZSBLJOOPK-UHFFFAOYSA-N	528.356	4.210	5	40	KIBB	
Cc1ccccc1OCCNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	224937817	IRLGVNXTGVHVEI-UHFFFAOYSA-N	517.991	4.332	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039218	WQLZIFXAZBJGJG-PGUFECHJSA-N	718.697	4.358	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409045153	HVTTWWYOQNETAR-HDFSHUSISA-N	620.728	4.493	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409181686	FAWQEFCRXAXKKL-QPJBPQEWSA-N	601.637	4.452	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1	13680562	CXJGQYPGZXWWOP-AWEZNQCLSA-N	502.376	4.091	5	40	KIBB	
COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1	20153259	ZJAMMLZXLDEAPX-UHFFFAOYSA-N	506.968	4.318	5	40	KIBB	
O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@H]1[C@H]3Sc2[nH]c(=O)sc2[C@H]1c1cc([N+](=O)[O-])ccc1OCc1ccc(F)cc1	150473866	IYFPCTAFGYNUBW-YOCPMGGBSA-N	625.656	4.011	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	163635710	PEZXQPZONXSITA-TZUCAZQYSA-N	645.690	4.311	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	205876760	GXDYAQMDLWASHW-HYARGMPZSA-N	511.556	4.231	5	40	KIBB	
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	225405270	LDOJTEWIPXDCMM-RPWUZVMVSA-N	534.623	4.329	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225709287	ZTVASWIXIBPFRD-HRAATJIYSA-N	603.525	4.398	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409108409	XOYPPEFYDHBUOK-NQDYMZAQSA-N	698.577	4.433	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409173630	MYUWBKPWYSDDPS-UHFFFAOYSA-N	547.973	4.170	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)N4CCN(c5ccccc5)CC4)cc3c3ccnc2c31	70707906	OEWKFGBHEDTOPC-UHFFFAOYSA-N	548.599	4.337	5	40	KIBB	biogenic
O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	98046014	FVMDOKZVFGOTOU-VJTSUQJLSA-N	602.405	4.028	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1	222538695	ROZQGHFFZBLYSV-PMERELPUSA-N	652.770	4.467	5	40	KIBB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224286475	PJSCQXMZIWRMCH-NRFANRHFSA-N	570.643	4.119	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225021050	DAHCPRGHGJQTJW-XZOQPEGZSA-N	566.680	4.431	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1	225520436	YXWUEIHBLAMOGO-QFIPXVFZSA-N	552.653	4.040	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1OC	408917610	YIWUSWLRMVAYDU-CXUHLZMHSA-N	526.308	4.453	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033214	NYUDOUFGSORCSR-JGAIACPSSA-N	661.689	4.225	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1[N+](=O)[O-]	5949409	KFQQUNLTZSGDOH-UHFFFAOYSA-N	547.637	4.391	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	224890104	BRVHQISUTINKJK-SANMLTNESA-N	617.124	4.188	5	40	KIBB	
C[C@]1(O)CC(=O)[C@H](C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OCc1ccccc1	253565324	HPJHCPXKZIHADY-NVGWLYTESA-N	517.534	4.121	5	40	KIBB	
C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408657552	NBDCFNFRBWOHPJ-IHAPXQGNSA-N	579.392	4.302	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O	97954929	XFVBHBUBBGWURV-VWPQPMDRSA-N	540.326	4.123	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)c1	408657993	UMUZQFUEORJYDW-WMPKNSHKSA-N	583.553	4.014	5	40	KIBB	
CCOc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2CC)cc1	409141530	IIDDNYBKIIVTOQ-JOCHJYFZSA-N	526.619	4.463	5	40	KIBB	
COc1ccc(CCn2c(-c3cc(OC)c(OC)c(OC)c3)nc3oc4ccccc4c(=O)c3c2=O)cc1	8836292	JHFNFHRBTKHUNU-UHFFFAOYSA-N	514.534	4.447	5	40	KIBB	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	103070805	RQPDHEWXBSDGPB-INIZCTEOSA-N	538.022	4.343	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cc(I)ccc1Cl	110363398	VTTIZBSLAGBUOI-UHFFFAOYSA-N	565.220	4.343	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	260896297	MRSXDMACMGCHHD-PKTZIBPZSA-N	596.706	4.439	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@@H]5c5ccccc5)[C@H]4C3=O)cc2)c1	408690308	UWKZHFOIMJNPQX-RDQYFYOJSA-N	569.570	4.328	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1	408731409	MESMHIDKBUERBT-WWFXOLRUSA-N	589.626	4.386	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408825538	DSMXHAQNAIQIPW-QARYAGPDSA-N	623.615	4.131	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c2=O)=N1	409043138	ZRKYBORIEKFCQA-LYRGBEMXSA-N	572.039	4.157	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	6488999	DJXSQYLHERXRQU-KMBIYUNPSA-N	559.600	4.284	5	40	KIBB	
O=c1oc2ccccc2c(O)c1C(c1cc2c(cc1[N+](=O)[O-])OCO2)c1c(O)c2ccccc2oc1=O	8440813	IHCOPGSWOIAIJD-UHFFFAOYSA-N	501.403	4.128	5	40	KIBB	biogenic
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1	222567118	UNIPGVJLODCVKG-NDEPHWFRSA-N	580.707	4.082	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224221143	WFKAWKVCBJNUIO-SANMLTNESA-N	587.098	4.181	5	40	KIBB	
COc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)cc1	224938220	RGHQGIOYUZRHKJ-UHFFFAOYSA-N	533.990	4.032	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225174517	TWBLMQZFZICJKR-NRFANRHFSA-N	570.643	4.263	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)c1	408657082	TZUSEMWIENKBCC-CLJLJLNGSA-N	585.569	4.238	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409101125	VPVWQFUISPAGTC-QYAMMSNYSA-N	624.100	4.315	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409149255	ZVHTUQKOYKEWEO-NRFANRHFSA-N	512.592	4.073	5	40	KIBB	
COc1cc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)ccc1OC(C)=O	409194197	OKPCJGJCCYRSFS-OVXMHFCVSA-N	528.473	4.492	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCC(=O)Nc3ccc(C)cc3)C2=O)o1	409398643	FLVFIDPBIWMHMB-GRSHGNNSSA-N	613.377	4.156	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1	34367938	PWIOCAWDPSREDL-XPGKHFPBSA-N	509.518	4.310	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	101671811	PMOFEUADORFXTM-SJBKTWHCSA-N	585.323	4.031	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)sc(C)c1C	102912233	QAVGYZMLNOINKU-PCCBWWKXSA-N	507.524	4.111	5	40	KIBB	
O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]2C1=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)[C@H]31	150665951	KVEXQSMVCLEQPB-YUYVWAFASA-N	628.084	4.135	5	40	KIBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223873500	GQPBERAJTKEJIJ-OAQYLSRUSA-N	582.654	4.405	5	40	KIBB	
CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224072906	BKKDRVBTLHYNOO-OAQYLSRUSA-N	617.124	4.356	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224156508	JZHUODNZLZTCRI-HHHXNRCGSA-N	596.706	4.359	5	40	KIBB	
Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cccc1[N+](=O)[O-]	408550985	GOVVYGJEWABLJB-UHFFFAOYSA-N	520.361	4.484	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408642753	FDUDFGBIKYRHHD-DQEYMECFSA-N	570.514	4.487	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408642872	FJGMVHMWSNPTND-FJAKRLOMSA-N	516.337	4.173	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c2=O)=N1	409050538	WTVZEFFQTRKAES-ASZNLBCTSA-N	585.638	4.294	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1	409094470	DHDPLGRCWXJHNG-JEYMYLTASA-N	661.718	4.171	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	409104356	DIEJEMMYMVXJEY-RWTNITNYSA-N	668.551	4.419	5	40	KIBB	
CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1	409131674	JDUHZUMLXAIZET-QFIPXVFZSA-N	554.629	4.148	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1NCc1cccnc1	9246934	ZGZWVWKUAJSKNU-UHFFFAOYSA-N	503.584	4.266	5	40	KIBB	
Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nn12	33383049	AHTSNQCFRBFVOB-UHFFFAOYSA-N	505.541	4.456	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N\C(=O)/C=C/c1ccccc1	101157081	JDLWZMFBRCMIGF-OLMAJNDOSA-N	528.609	4.090	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2cccc(OC)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	101232365	YHCZXYRQEBRQKF-JVCXMKTPSA-N	502.571	4.074	5	40	KIBB	
O=C(Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1Cl)c1ccco1	112233391	QKSLFKLCAFFYRR-UHFFFAOYSA-N	529.962	4.057	5	40	KIBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260953830	KGDPNHNAXWNBQO-ZHRRBRCNSA-N	573.499	4.390	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3cccc([N+](=O)[O-])c3)C2=O)o1	409400328	OOJGWXFYKQYPHH-NVMNQCDNSA-N	556.871	4.208	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc(Cl)cc1	409401278	RZOBSPPTYJATID-GRSHGNNSSA-N	598.952	4.137	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(F)cc1	103783931	QLXYXIXHORUOFN-LKWZWFHSSA-N	589.601	4.000	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223619278	GBCJQKZAFHNZOK-VWLOTQADSA-N	637.542	4.452	5	40	KIBB	
CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	408714068	HUVCHGBPIVYZMO-UHFFFAOYSA-N	541.630	4.002	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408734416	XZJKHFHGYKVNOA-VZIOXZNFSA-N	535.603	4.336	5	40	KIBB	
CCc1nnc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C(=O)O)cc3s2)s1	408749179	FESYDYFKYCRSJX-UHFFFAOYSA-N	544.596	4.300	5	40	KIBB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223521563	JWIPYTOAPIZSMC-FQEVSTJZSA-N	603.525	4.398	5	40	KIBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223957085	AJUMNIJNGMQPMO-INIZCTEOSA-N	571.483	4.144	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1	260926653	VCJPBJZOWCSJIV-HSZRJFAPSA-N	566.680	4.288	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NC[C@@H](O)c4ccccc4)cc3c3ccnc2c31	70708022	FENYOZUQTQYZHL-MZNJEOGPSA-N	537.572	4.226	5	40	KIBB	biogenic
CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225169144	RQYRUPSXGVKZJY-MHZLTWQESA-N	566.680	4.432	5	40	KIBB	
NC(=O)C[C@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408654226	KFHBRTLTYOUWIO-XYZPLQHNSA-N	628.852	4.129	5	40	KIBB	
CN(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	408731291	JMCPOSMNEVWJIE-XOBNHNQQSA-N	555.550	4.123	5	40	KIBB	
O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	68744137	LVLPOLOPUYQAGQ-UHFFFAOYSA-N	508.578	4.348	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	216379494	YFIHNJIGQPLKMI-GOSISDBHSA-N	543.598	4.002	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225649718	LUHVYZVSFDRJII-GDLZYMKVSA-N	610.733	4.234	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	261102439	WIYKUCAARCIKKM-DWACAAAGSA-N	598.697	4.363	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409036448	RKCGTTWHRMLWSE-FLGOMVIPSA-N	717.753	4.245	5	40	KIBB	
COc1ccc(N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	409111574	CTXHDGCYGJTSGK-UHFFFAOYSA-N	559.044	4.109	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1	409399169	IEZSHXJNVPTQJM-NVMNQCDNSA-N	556.871	4.208	5	40	KIBB	
CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	4112892	MUERUIHQTVLRFG-BKUYFWCQSA-N	649.444	4.136	5	40	KIBB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	6003364	GVFHDMKMODEFLZ-RPBOFIJWSA-N	630.651	4.494	5	40	KIBB	
COCCn1c(=N)c(-c2nc(-c3ccc(Cl)cc3)c(NC(C)=O)s2)cc2c(=O)n3ccccc3nc21	102621537	JOJLPAGGPSXJMC-UHFFFAOYSA-N	521.002	4.177	5	40	KIBB	
O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	104474583	XDDVRYOCUIAWMX-UHFFFAOYSA-N	550.015	4.300	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222550803	UZULSIDSNGFIRG-LJAQVGFWSA-N	604.660	4.315	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC[C@H](C)C[C@H]4C3=O)cc2)cc1	408641119	JSWIDJVDJDALIZ-MHBGZZOHSA-N	619.652	4.332	5	40	KIBB	
COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	408643844	QBWQRMRYLRVBRX-CQSZACIVSA-N	507.886	4.182	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	409104132	DYHCPBPACKUIGZ-RWTNITNYSA-N	668.551	4.419	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	59858265	CSPSPLOLHMTGBB-UHFFFAOYSA-N	596.643	4.238	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	100398599	WSKQVVGNMZFBIX-BUYGKUCFSA-N	540.359	4.195	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12	101331605	QILMXKJVQQGJMN-WLGONLEPSA-N	528.952	4.263	5	40	KIBB	
CCC1(CC)C[C@H](NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c2ccccc2O1	223485092	XCOXMAQNMSRTHZ-FQEVSTJZSA-N	519.620	4.348	5	40	KIBB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223777552	OMLFVUYLSPUZAA-JOCHJYFZSA-N	553.081	4.046	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC(C)C	225480840	ZTDJGTONYOWVDY-QFIPXVFZSA-N	552.653	4.040	5	40	KIBB	
CC1=C(C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)O[C@H]2CCC[N@@+](C)(Cc3ccccc3)C2)=C(C)N1	263583893	DGVVISBYHUXFIU-NEEWURRISA-O	506.579	4.267	5	40	KIBB	
Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)cc1	409143105	MYSBOOUZFUJSKQ-HNNXBMFYSA-N	537.627	4.377	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccccc1	409335958	ZEYFPFMSPSSCBT-FUFNRSNVSA-N	585.638	4.403	5	40	KIBB	
O=c1c2cc(N3CCOCC3)ccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccc2c(c1)OCO2	2976231	WCVLNZMWYISZJD-UHFFFAOYSA-N	532.578	4.211	5	40	KIBB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223517785	TXMXVIZWFAXUPL-OAQYLSRUSA-N	573.499	4.390	5	40	KIBB	
Cc1nc2ccccc2c(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	100349243	VEXPALCVDBUVIQ-UHFFFAOYSA-N	557.471	4.439	5	40	KIBB	
CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2	103083590	BPCZTAVAXPDDGL-KXGFGANYSA-N	502.527	4.411	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)C(c1ccccc1)c1ccccc1	103629197	OZMWEWMJUWAAOX-VLBKXBQMSA-N	562.626	4.264	5	40	KIBB	
O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)c2sc(=O)[nH]c2S[C@@H]31	150473869	IYFPCTAFGYNUBW-MGCJKZKYSA-N	625.656	4.011	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222994244	JUSLEWRHOFDYJT-LJQANCHMSA-N	603.495	4.106	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	6488387	GTQDNZBUZHOXTD-XQNWCSQWSA-N	585.638	4.294	5	40	KIBB	
COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC	22254101	ZTVGXIBCELCXLM-UHFFFAOYSA-N	519.963	4.484	5	40	KIBB	
O=c1/c(=C\c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccccc1Cl)C1=C(N=2)c2ccccc2CC1	100956998	PBHGXBNQDOOHBR-LYRGBEMXSA-N	560.975	4.494	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])[C@H]2C1=O	101176460	QWUODKRCDPQNSH-DSITVLBTSA-N	519.510	4.062	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1	101181201	BJUJRUBMXKWMAE-GVAUOCQISA-N	519.510	4.062	5	40	KIBB	
CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	101673379	OBCHPPWWIMNPNJ-FUDKSRODSA-N	599.350	4.421	5	40	KIBB	
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1	103033355	BURWROYCUDDGGV-UHFFFAOYSA-N	568.637	4.351	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSCc2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	106185590	WZBNBQKMSYHSQJ-UHFFFAOYSA-N	543.667	4.465	5	40	KIBB	
C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5cc([N+](=O)[O-])ccc5OCc5ccc(F)cc5)[C@H]34)[C@@H]2C1=O	150477815	NSRSCJKRCKSRAW-SUYXKEMFSA-N	625.656	4.009	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224826983	MBIBOZQSFUPRJR-QFIPXVFZSA-N	573.499	4.247	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408825545	DSMXHAQNAIQIPW-ZSJKCPIUSA-N	623.615	4.131	5	40	KIBB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)c1	409105630	NQDIEWFYPJKYAK-QARYAGPDSA-N	633.708	4.053	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O	409223922	GQVAFQPLOIQHHA-FYJGNVAPSA-N	628.379	4.318	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc(Cl)cc1Cl	97965064	HVYAVSRLZGPARR-NCVGVACFSA-N	555.418	4.361	5	40	KIBB	
COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O	225435644	BSCZHEGTFLDLPA-DQEYMECFSA-N	564.649	4.338	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1OCC	408739050	SCVRMFZIJRDBTG-SJJVXOANSA-N	559.600	4.365	5	40	KIBB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21	409019090	VRHKYCHWJPHJHT-ABBNRAPFSA-N	619.652	4.000	5	40	KIBB	
Cc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2n1	1874022	WIPDZFDPEXHCDF-HAHDFKILSA-N	506.547	4.435	5	40	KIBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1	8914689	ZPOCLAMNGCUCAX-UHFFFAOYSA-N	516.601	4.301	5	40	KIBB	
CN(C)c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1[N+](=O)[O-]	18193017	GQCASSHQNOUBBM-UHFFFAOYSA-N	500.463	4.465	5	40	KIBB	biogenic
COc1ccc(-c2nn3c(COc4ccccc4)nnc3s/c2=N/Nc2ccc([N+](=O)[O-])cc2)cc1	102615663	CSGSAEPDHAZLKQ-SLEBQGDGSA-N	501.528	4.276	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccc(Cl)cc1	103629496	ZMGQQMXETBODTM-GDWJVWIDSA-N	512.953	4.269	5	40	KIBB	
COc1ccccc1CN(C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	216002407	SHINVLURRYKZKB-UHFFFAOYSA-N	548.017	4.428	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223006815	BHPWTURQGPEFKD-FQEVSTJZSA-N	647.548	4.423	5	40	KIBB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224059363	OIGSBOGMDHXMAD-HXUWFJFHSA-N	570.643	4.261	5	40	KIBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224678309	GNGSTZGRLGAQBK-OAQYLSRUSA-N	582.654	4.405	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12	247335268	QILMXKJVQQGJMN-GOUQPXDXSA-N	528.952	4.263	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	260818009	WZCGGZAFEPTLMP-OAHLLOKOSA-N	589.498	4.008	5	40	KIBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408565115	BFGQOVFZSXJJCI-XUCOSSOOSA-N	508.918	4.395	5	40	KIBB	
Cc1cc(I)cc(C)c1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C	409135282	YBFKNJUURRMJFU-UHFFFAOYSA-N	523.356	4.343	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)N1CCN(c2ccccc2)CC1	409197929	SETAYJQUEOHTHK-ODLFYWEKSA-N	521.382	4.287	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)sc(C)c1C	100766460	QAVGYZMLNOINKU-HKBOAZHASA-N	507.524	4.111	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408943551	LPILHUSDLGCPSC-MFUBYVTQSA-N	565.991	4.238	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)C1=O	409273706	LLNOXLZGBBNKLG-HMAPJEAMSA-N	599.599	4.055	5	40	KIBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl	102707309	SYSIFMNHLYTTJH-MGPLVRAMSA-N	549.820	4.372	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc(C)c1C	102862047	XUBDRKSUSLFYIY-QHAWAJNXSA-N	507.524	4.111	5	40	KIBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)c(C)c1	103873292	DGPYGWKOWBDUQU-ZJSPYRCASA-N	508.534	4.240	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223191483	GSHDZKCHEDPFOY-HZPDHXFCSA-N	522.396	4.077	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)o1	409399525	JOTCHTZIIUUHDZ-ODLFYWEKSA-N	511.874	4.300	5	40	KIBB	
COCCn1c(=N)c(-c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc2c(=O)n3ccccc3nc21	101352751	LVLWGVIJLRMUDO-UHFFFAOYSA-N	544.618	4.472	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225475315	ZRFCLGFQWIKUKK-MHZLTWQESA-N	584.670	4.056	5	40	KIBB	
C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408669271	XDEQABHWOJNGIQ-HMPFVNLWSA-N	579.392	4.302	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408679453	FENWJTYUHDUINW-ZNOIYHFQSA-N	500.895	4.135	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	408825727	FHXSNXNGCWLTPH-SUAMDDGLSA-N	589.626	4.292	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	409099022	RPBNZNQKFHCGTB-WLPTYJMBSA-N	698.577	4.427	5	40	KIBB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C	888089102	HSLUCMCJGBLOOC-GOQWNVGWSA-N	643.436	4.400	5	40	KIBB	
CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)OC(C)(C)O1	1547208771	FFPATDDYJWTOFW-SZSOSZANSA-N	636.746	4.069	5	40	KIBB	biogenic
COc1ccccc1CNC(=O)COc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13	8792122	LBRFSGVNANFBTH-UHFFFAOYSA-N	523.545	4.313	5	40	KIBB	biogenic
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2	8833156	YNKLOMPEVVFCRJ-UHFFFAOYSA-N	502.618	4.439	5	40	KIBB	
Cc1nn(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1	12583958	YNGFQFIZWFMVPB-UHFFFAOYSA-N	500.602	4.422	5	40	KIBB	
Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	97947934	JEHOKTJMIGWGQG-UHFFFAOYSA-N	546.532	4.478	5	40	KIBB	
COc1cc(C(=O)Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)s2)c([N+](=O)[O-])cc1OC	100816919	QOZYMGRHEKFCRT-UHFFFAOYSA-N	532.585	4.056	5	40	KIBB	
C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	108930843	BRTMUCBFSAUUOG-XHSDSOJGSA-N	523.995	4.099	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	260964075	LKMDLBSSQGRYCI-ZEQRLZLVSA-N	610.733	4.482	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565311	JQBVXXIWVJRYGE-FMNCTDSISA-N	553.369	4.458	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408646642	TYWOOUYHXXBYPA-XMCHAPAWSA-N	528.359	4.019	5	40	KIBB	
CCOc1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	12587008	YPUIEKPLVDHQHR-UHFFFAOYSA-N	519.963	4.490	5	40	KIBB	
CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3)co2)s1	15391469	ZPEXNZMBRNEIEW-UHFFFAOYSA-N	504.546	4.286	5	40	KIBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	39768202	DEMXKMMBUSXJRZ-MDWZMJQESA-N	500.427	4.457	5	40	KIBB	
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[C@H](C(=O)c1ccncc1)[C@@H]1OC(=O)c2ccccc21	102933234	KHVQTKNNPACEFM-LAUBAEHRSA-N	514.277	4.215	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	103628698	VCWTUKKSWSTOLF-KTKCBERBSA-N	573.433	4.064	5	40	KIBB	
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cc1[N+](=O)[O-]	105317158	LEZQTFXDUFUMMZ-UHFFFAOYSA-N	554.028	4.346	5	40	KIBB	
O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	109046543	ZGEVZOSSXCHRPK-UHFFFAOYSA-N	504.012	4.202	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222908891	ZQTZDMPMJRQDAU-FQEVSTJZSA-N	603.097	4.314	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12	230035191	UAYKPOXLAOMKCT-ODAXIHTASA-N	500.898	4.010	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@H](C)c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260808252	HRBCBXRBAAZNAC-GOSISDBHSA-N	543.598	4.002	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	408640415	AYQNLNPSCRBWPY-KAZGAHJFSA-N	567.554	4.251	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)C2=O)o1	409398069	BSQZPCSYBLHZOX-ODLFYWEKSA-N	511.874	4.300	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	44803008	RVMRYMJHASFJLX-UHFFFAOYSA-N	517.991	4.385	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223940871	YLOMDYRXFCTZDQ-HXUWFJFHSA-N	617.522	4.496	5	40	KIBB	
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225173277	QTKGLSSVSIGFTJ-XMMPIXPASA-N	565.092	4.271	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1	408676419	DBFZQVUEFQBGTH-AUZHQEEXSA-N	583.597	4.002	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCC)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409141606	AMPLKQRCKGRAKG-RQLGBQGVSA-N	542.013	4.067	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)N1CCc2ccccc2C1	409197875	QVTUUWKLJUFKCL-XKZIYDEJSA-N	516.535	4.403	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21	101077166	JIELLSOSXQTUFY-NEWJYFPISA-N	559.376	4.386	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225217428	VBCVGPGGLCKTJY-LEWJYISDSA-N	570.643	4.261	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	225462889	MSILQZSAFIFHLR-QFIPXVFZSA-N	582.679	4.049	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225682974	XPRGIJYORRXWQW-HRAATJIYSA-N	603.525	4.398	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	260931609	KUPMDKMPRZFPJB-MUUNZHRXSA-N	610.733	4.090	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSCc2ccccc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	409027480	IVESXIKTLACFBU-UHFFFAOYSA-N	559.666	4.165	5	40	KIBB	
CC(C)Oc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1	14273752	YXUDLDQQGZKEIM-UHFFFAOYSA-N	511.648	4.209	5	40	KIBB	
O=C(OCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1)c1ccc([N+](=O)[O-])o1	42891515	ZLVANECEZQYXPE-HNNXBMFYSA-N	536.360	4.443	5	40	KIBB	
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59331452	GFPNKINYUBRUJB-UHFFFAOYSA-N	519.539	4.072	5	40	KIBB	
COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1	102760781	HNVLDXYMDUHYGF-YPAWHYETSA-N	524.327	4.417	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@@H](c4cccc([N+](=O)[O-])c4)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1OC	102575861	RWOZBOIYDAWRQA-GIGWZHCTSA-N	540.576	4.021	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(Cl)cc1	102918889	XZAZTZVOUKKENP-QCKNELIISA-N	537.016	4.344	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	103623589	DMJPLWKVOHFKPX-CMYVBNMBSA-N	535.965	4.090	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224915806	SIVGONXFIDGEKX-NDEPHWFRSA-N	596.706	4.378	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409038905	WCIXXAMMHWYWHE-UPWSPCOFSA-N	619.652	4.468	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21	16039527	CRGUNCJDWJDPDE-KAOXLYBCSA-N	500.898	4.010	5	40	KIBB	
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	102975456	CZHMHFBIZFRAGB-GFCCVEGCSA-N	554.400	4.404	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1	111470171	KRURYSGQSVJSGJ-CBYYHRJHSA-N	547.564	4.414	5	40	KIBB	
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OCC)c2)C1=O	205682756	VDKFRGKWSBMCEV-VXLYETTFSA-N	517.472	4.293	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225639350	NSQYLHVQKOWZOJ-QHCPKHFHSA-N	511.962	4.022	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	225754317	MAKGXNZLMHAKKK-NDEPHWFRSA-N	610.733	4.090	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1	408571454	BPRNDDRQSUWBDP-KPKJPENVSA-N	510.616	4.131	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc([N+](=O)[O-])cc3)c2=O)=N1	409042127	WDYYTEKQVAPAQX-RQLGBQGVSA-N	586.464	4.258	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409100957	WDLILEHZDVXTKT-XOYGFPHKSA-N	594.074	4.301	5	40	KIBB	
COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O	409126568	CRSCOBCXCUFCLY-WOJGMQOQSA-N	540.335	4.461	5	40	KIBB	
CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)C1=O	409197094	VSSCWEPFYOVLER-MTJSOVHGSA-N	564.594	4.059	5	40	KIBB	
COc1ccc([C@@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1	1547138170	QZTPDYZSVYBBHM-LMTUXBTISA-N	542.636	4.443	5	40	KIBB	
CC(C)[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	8449576	HFWYHIZJWATVLZ-GYFFGYLLSA-N	538.556	4.238	5	40	KIBB	
O=C(N[C@H]1CCCC[C@@H]1Cc1ccco1)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	34840163	KHPQFBFIBZRUKQ-OUOWLKGYSA-N	517.538	4.018	5	40	KIBB	
COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCC(=O)NC[C@@H]2CCCO2)n2c4ccccc4nc32)cc1OC	102744567	CIEKPSSDODLIND-QFIPXVFZSA-N	599.713	4.413	5	40	KIBB	
COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)cc1	103923369	QXBJMINUKGUESN-NGSHPTGOSA-N	544.951	4.411	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	224917069	ODWDHHBENZSHRO-SANMLTNESA-N	617.124	4.188	5	40	KIBB	
COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O	225435522	DKVPAWSVBLZESS-RPBOFIJWSA-N	564.649	4.338	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3O)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408729782	CTWFFYBFVMQSAE-SZYVSPPHSA-N	615.664	4.499	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c2=O)=N1	409044669	HGCKUHYNQZDLAF-LWUPDDLQSA-N	529.574	4.275	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1	408569350	VRSHFCIBTAYRPY-RBYFDUNASA-N	503.530	4.468	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1	408685536	LJYZJGLDFWJEHN-ZPZUNKDASA-N	527.533	4.464	5	40	KIBB	
CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409067760	PTLODCSOBRNJTG-UHFFFAOYSA-N	706.597	4.460	5	40	KIBB	
Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	22844079	UKAYWPIKRPUDMO-UHFFFAOYSA-N	519.583	4.119	5	40	KIBB	
COc1ccc(CC(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2ccc([N+](=O)[O-])cc2)cc1	100816837	HPXVRVDYLLJTOQ-UHFFFAOYSA-N	572.647	4.115	5	40	KIBB	
COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC2	100819020	FTXMCZXLWKAURC-AREMUKBSSA-N	581.647	4.215	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223456858	PVOPDFVYRPCSEQ-QDPGVEIFSA-N	610.733	4.233	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224232721	BIWAHBHEIJUCGU-SANMLTNESA-N	552.653	4.042	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565079	HPVHMXFRUCFCCB-DVKBMCPXSA-N	508.918	4.349	5	40	KIBB	
COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@H](c4ccc5c(c4)OCO5)[C@H]3C2=O)c([N+](=O)[O-])c1	408731320	JSEBKHKQNWKVND-OSFWDLJISA-N	554.511	4.162	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(SC)cc1	409105104	GINWUUIKEIILNM-NLZIUFDSSA-N	605.723	4.370	5	40	KIBB	
Cn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1	100817029	AYRAPZTYHRSFMP-NRFANRHFSA-N	579.639	4.324	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N\C(=O)c1cccc(Cl)c1	101115969	MKYNEQIETJIMTK-GDWJVWIDSA-N	537.016	4.344	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccccc1	103862490	FXZPLNRHPJQREX-WNOSOOIWSA-N	606.454	4.312	5	40	KIBB	
Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1[N+](=O)[O-]	105317972	PFEANGOWQBGXAG-UHFFFAOYSA-N	527.990	4.239	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	106020097	YOEHPZDSAOWLHU-UHFFFAOYSA-N	535.962	4.108	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260959606	KVMAKXJBKJUEFX-SJORKVTESA-N	573.499	4.308	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408981857	CJZJKYSDMMAKPQ-YVBHXKDBSA-N	643.674	4.333	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409036453	RKCGTTWHRMLWSE-PGNBASISSA-N	717.753	4.245	5	40	KIBB	
Cc1ccc(NC(=O)COC(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-]	3321674	BMYTWCCECVHYNH-UHFFFAOYSA-N	542.342	4.479	5	40	KIBB	
COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)CC2)c1	8903424	PCCVBRDROILZTC-UHFFFAOYSA-N	524.961	4.480	5	40	KIBB	
CCc1cc(C(=O)c2ccccc2OC)c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1	36319054	NBCJTRVNHXFIQR-UHFFFAOYSA-N	508.600	4.219	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3O)c2=O)=N1	104676806	WKPWFUNNYNBQQI-GJFKPFFXSA-N	535.622	4.316	5	40	KIBB	
COc1ccc(OC)c(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1	197908552	DXACNOZRSWRZEC-QPJBPQEWSA-N	525.586	4.244	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	408640413	AYQNLNPSCRBWPY-JRLVAEJTSA-N	567.554	4.251	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)C)cc1	408851600	LNXRUGCFSZOFLB-LAUBZIAYSA-N	663.730	4.261	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409177724	CJGBKMMHTLOINC-JAYSWQADSA-N	588.598	4.492	5	40	KIBB	
CCOc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OC(=O)c1ccccc1I	409390735	VMQRSSCSOLSJBF-VQHVLOKHSA-N	549.277	4.189	5	40	KIBB	
COc1ccc(OC)c(-c2csc(N(CCCN3CCOCC3)C(=O)c3cccc([N+](=O)[O-])c3)n2)c1	881207	GKNKPUBEWWXMBE-UHFFFAOYSA-N	512.588	4.105	5	40	KIBB	
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccc([N+](=O)[O-])cc3Br)o1)n2CC	12530772	ACQNHUOTLDLAEK-UHFFFAOYSA-N	502.325	4.304	5	40	KIBB	
Cc1c(C(=O)NC(=S)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)cccc1[N+](=O)[O-]	97982373	UYXWLSLKCAMQKN-UHFFFAOYSA-N	520.976	4.190	5	40	KIBB	
O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H](c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)c2sc(=O)[nH]c2S[C@H]31	150473872	IYFPCTAFGYNUBW-ZJFPELPMSA-N	625.656	4.011	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222420989	BMZGEYWCLCZSRH-MHZLTWQESA-N	566.680	4.431	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408665980	ZTNIIWJKRGXYMY-MFRYECHYSA-N	516.337	4.173	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3O)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408729781	CTWFFYBFVMQSAE-QUNTYYFUSA-N	615.664	4.499	5	40	KIBB	
COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1	223019712	YRCVOXKLGFCPEB-HHHXNRCGSA-N	549.624	4.403	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223677568	LDIAUIMOOUMQDE-KDYSTLNUSA-N	584.670	4.055	5	40	KIBB	
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	225405354	LDOJTEWIPXDCMM-DNQXCXABSA-N	534.623	4.329	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]21	408645160	HNANZYGALWUMMR-MPKWNAGQSA-N	516.337	4.339	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1	408857799	PYUSYGPIBSTBIU-KDSDTBODSA-N	540.601	4.181	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC	408932031	AXRQIQQUDXZJMY-JNNIQXQOSA-N	645.690	4.311	5	40	KIBB	
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3C)scc12	9381688	BFFDXNVDKLBPBD-UHFFFAOYSA-N	508.512	4.101	5	40	KIBB	
Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12	19941567	BMHKUYOVLAKFSK-SANMLTNESA-N	528.617	4.148	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC(C)(C)C	222682543	DUSKNCRHOMXIRB-QFIPXVFZSA-N	566.680	4.431	5	40	KIBB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1NS(C)(=O)=O	225488131	JXILVRVZBLYJPM-DQEYMECFSA-N	564.649	4.338	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260955465	KMUDQSBSQRCPAZ-AVRDEDQJSA-N	553.081	4.045	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408646633	TYWOOUYHXXBYPA-JSNMRZPZSA-N	528.359	4.019	5	40	KIBB	
O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	409178362	LEHYVOYMZOBRKC-UHFFFAOYSA-N	511.284	4.489	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	20239375	VFJWRBFRLWIANE-UHFFFAOYSA-N	515.613	4.016	5	40	KIBB	
Cc1nn(-c2cc(N3CCN(C(=O)c4ccccc4Br)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12	100316986	ZDXXARSTHXTGRP-UHFFFAOYSA-N	548.397	4.327	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccc(C(F)(F)F)cc1	103001563	FWPDRCHQIDBSKU-SJIPCVTESA-N	536.466	4.227	5	40	KIBB	
CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224887894	GZSCKUVPINGBNX-SANMLTNESA-N	587.098	4.179	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	224953303	GFMPNNLJVCENRC-NDEPHWFRSA-N	626.707	4.207	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260997953	RFQUTUBBMPVKHF-YADHBBJMSA-N	582.679	4.131	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	408833938	XLHRAUMXRYDPBG-CBYYHRJHSA-N	547.564	4.414	5	40	KIBB	
COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n21	408938627	AVSIFNOYAUUTEE-WQLLJXGDSA-N	714.332	4.176	5	40	KIBB	
COc1ccc(CC(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)cc1S(=O)(=O)N1CCOCC1	103010825	MQBMRDBLHSGHLS-UHFFFAOYSA-N	544.633	4.160	5	40	KIBB	
CCCn1/c(=N\C(=O)CCOc2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	103360482	XEHRJQRBIDWXBP-KRUMMXJUSA-N	543.407	4.439	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	408570107	ZAJMCDQICOYMOO-HSWHJCFASA-N	503.530	4.468	5	40	KIBB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1Cl	409178871	OAFRKSVOONVOFU-JAIQZWGSSA-N	516.963	4.068	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)N1CCN(c2ccccc2)CC1	409196421	UWWBOTWGPYEHTI-XQNSMLJCSA-N	518.551	4.240	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409406064	ACJSDIQIVHHEKV-UCBHFQESSA-N	561.503	4.085	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	104708295	PLTHMDYENTWBMB-UHFFFAOYSA-N	545.639	4.024	5	40	KIBB	
COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	197987399	DXKMKPVNMSSLEW-UHFFFAOYSA-N	653.135	4.192	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OC	205679113	WVBORXQYYCNPHL-CXUHLZMHSA-N	526.308	4.453	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224228499	MTAXNUIMQQDCAR-HHHXNRCGSA-N	601.125	4.489	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408647757	VMQXZLYFQUPGEA-XSAAJHIVSA-N	636.573	4.015	5	40	KIBB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	409259433	ZCUFKZQONYSQGC-UHFFFAOYSA-N	625.125	4.430	5	40	KIBB	
COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	2298446	FRCYDQPNKWUEPO-UHFFFAOYSA-N	513.553	4.215	5	40	KIBB	
O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1)Nc1cccc([N+](=O)[O-])c1	3228176	GOMGMYRYQDGGJI-UHFFFAOYSA-N	540.373	4.015	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12	9359813	UAYKPOXLAOMKCT-BJESRGMDSA-N	500.898	4.010	5	40	KIBB	
Cc1ccc(S(=O)(=O)N(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	102410541	WSFAEEPCLAAMKF-UHFFFAOYSA-N	525.948	4.357	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223615261	NJKYLGIPRQHPHI-RUZDIDTESA-N	607.516	4.444	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1	260797218	OYVZMDWITHZWPO-JOCHJYFZSA-N	594.690	4.275	5	40	KIBB	
Cc1ccc2cc(C(=O)NS(=O)(=O)c3ccc(NCCN4CCOCC4)c([N+](=O)[O-])c3)n(CCCc3ccccc3)c2c1	585273475	WAAMSFWFPUBCIE-UHFFFAOYSA-N	605.717	4.354	5	40	KIBB	
CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	4173923	IGNGLCCXNLJZNA-NGSVVIOZSA-N	538.556	4.238	5	40	KIBB	
Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12	6244895	ZJXGFUGQDFDWJZ-HHHXNRCGSA-N	542.644	4.456	5	40	KIBB	
Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1	104474011	JZASGJJLBCMBDM-UHFFFAOYSA-N	623.135	4.482	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225703122	DBSDTUIABXEMMT-AREMUKBSSA-N	552.653	4.122	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261090275	TYBNRMBQILFUKM-ZBLYBZFDSA-N	614.696	4.063	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408638324	CFTVNHJTIHKFTA-UIOOFZCWSA-N	567.554	4.395	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408638917	DOCIGBJTGXEBKU-UHFFFAOYSA-N	594.492	4.259	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1Cl	408662401	XZVVURPZHTVONS-BMHXQBNDSA-N	516.337	4.173	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	409099020	RPBNZNQKFHCGTB-RLGZEVEKSA-N	698.577	4.427	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409149256	ZVHTUQKOYKEWEO-OAQYLSRUSA-N	512.592	4.073	5	40	KIBB	
Cn1c(CCCCCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@H](Cn5c4cccc5=O)[C@@H]23)nc2ccccc21	1547138646	ORGURDQIIVWFAM-VUDDNKFLSA-N	580.689	4.337	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	163670344	CDKXRBSSAJPMIG-ZJTZAHLKSA-N	646.634	4.424	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260944245	JCBITZFJMZHXNH-PKTZIBPZSA-N	566.680	4.431	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)c1	408639572	FYZXTVSHHAASAI-PQFBZJLDSA-N	621.602	4.116	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1OCC	408934071	LAYDXKDLBUIGFU-VXRCAMJYSA-N	589.626	4.292	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1Cl	409064933	RBVDZLVLUVPYNI-UNRSNATKSA-N	663.108	4.386	5	40	KIBB	
COc1ccccc1NC(=O)[C@@H](C(C)=O)C(c1cccc([N+](=O)[O-])c1)[C@H](C(C)=O)C(=O)Nc1ccccc1OC	5004770	XIBXJFLWWAOOMP-UIOOFZCWSA-N	547.564	4.383	5	40	KIBB	
Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(C)c1	12549918	FMWXXMHYONYYDM-UHFFFAOYSA-N	510.572	4.079	5	40	KIBB	
CO[C@@H]1O[C@@]23CC[C@@]4(O)C[C@@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]14[C@H]2CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]13	119183696	LVPSFFFJUAEDQD-JAUGCHRASA-N	612.632	4.391	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1	163541155	KRVRBTHYSZZPIO-OBVMJLIASA-N	671.444	4.293	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222687655	MUBJAIXZGXNFJT-NRFANRHFSA-N	573.499	4.308	5	40	KIBB	
C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224083817	DFGFTRVAFHXFAB-HSZRJFAPSA-N	578.691	4.309	5	40	KIBB	
CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O	408670582	SRELDTWWWIHXOF-KRWDZBQOSA-N	529.505	4.061	5	40	KIBB	
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc([N+](=O)[O-])c4O)c(=O)n32)c1	408768823	KOZXNRUNZAWICP-RWTNITNYSA-N	621.469	4.259	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCOCC4)c(=O)n32)cc1	408847150	LYCFIVVKMLYTQQ-UXCHMGEPSA-N	625.707	4.017	5	40	KIBB	
CCOC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1I	408918225	HTOBDUDEIMGFCW-VCHYOVAHSA-N	568.345	4.378	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=N1	409033523	FLNIRDTYWFTIDL-RQLGBQGVSA-N	542.013	4.149	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	8400072	GAMUWOGQSKKRLM-DJTCXORXSA-N	657.543	4.086	5	40	KIBB	
O=Cc1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	9295662	DYYHQXBRXPDTPZ-UHFFFAOYSA-N	509.037	4.196	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	107494133	LSHVXUIQMXEPKS-CRCYZHLCSA-N	589.626	4.292	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222684317	ISYDQFZHQXFANF-FQEVSTJZSA-N	589.498	4.008	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225403723	KHSLIWPSUMUOGS-MUUNZHRXSA-N	626.732	4.449	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12	229610369	CRGUNCJDWJDPDE-BJESRGMDSA-N	500.898	4.010	5	40	KIBB	
CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(Cl)c(C)c1	408607728	UOKYFWDDIYXNNT-WEVVVXLNSA-N	500.895	4.344	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cccs1	408827266	IJLGFRDINLJKNI-VZIOXZNFSA-N	535.603	4.336	5	40	KIBB	
CN(CCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cc2cccc(Cl)c2)n1	585265290	HDMUDOKBSSGHST-UHFFFAOYSA-N	566.039	4.427	5	40	KIBB	
COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)CC2)c1	8903418	LIDPRDDYBCBTDH-UHFFFAOYSA-N	504.543	4.135	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(OC)c(OC)c4OC)N(c4cccc([N+](=O)[O-])c4)O[C@H]3C2=O)cc1	102762630	PYWWPPKIHWRSDQ-PPJWLVRDSA-N	549.536	4.070	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224371256	NJAUZXQUNYHCSO-AREMUKBSSA-N	600.669	4.190	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O	224807368	BHMRLCRZQYHSMA-IBGZPJMESA-N	565.092	4.189	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1	224828739	SLDYPWVEJIJWBE-LJAQVGFWSA-N	592.718	4.368	5	40	KIBB	
COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1cccs1	409181093	WCDZYVYYNDUKJW-UHFFFAOYSA-N	500.872	4.159	5	40	KIBB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl	409389824	PCDMRZZPAFNIHV-UHFFFAOYSA-N	517.991	4.437	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3OCc3cccc([N+](=O)[O-])c3)C2=O)o1	409401441	YNPPQHUHGDPROX-GRSHGNNSSA-N	541.900	4.308	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCC(=O)OC	100338518	CDBOIRADOAONKG-VCHYOVAHSA-N	598.371	4.386	5	40	KIBB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)ccc23)C1	102415379	VCSDKODEQFMNRE-WTGUMLROSA-N	546.711	4.279	5	40	KIBB	
O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	102910310	LXYFJLLJQVHCSU-UHFFFAOYSA-N	520.386	4.426	5	40	KIBB	
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN/C=C1/C(=O)N(c2ccc(C)cc2)C(=O)c2ccccc21	103004623	VVAIKAIUNWAGQN-HAVVHWLPSA-N	549.609	4.078	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O	409382067	KXKIPCVTSKWYEA-SFTDATJTSA-N	577.329	4.385	5	40	KIBB	
O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1	3662623	JYVNXRSFTSJDSW-HXUWFJFHSA-N	509.316	4.354	5	40	KIBB	
Cc1cccc(C)c1-n1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(S(=O)(=O)N(C)C)c1	103104553	HMKXWFZZPZSYMD-UHFFFAOYSA-N	566.665	4.440	5	40	KIBB	
CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224859698	SWLJNNIUDDQQPA-AREMUKBSSA-N	587.098	4.179	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409138010	YSSOJDYTKQJBJY-REZTVBANSA-N	523.317	4.066	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21	16038150	UAYKPOXLAOMKCT-MYDTUXCISA-N	500.898	4.010	5	40	KIBB	
O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)N1CCN(c2ccccc2)CC1	101385693	SNVHKEWWFYLROP-RUZDIDTESA-N	554.632	4.226	5	40	KIBB	
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	104086849	RETOGFVSCTZESX-UHFFFAOYSA-N	580.041	4.308	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225629112	KMUDQSBSQRCPAZ-PGRDOPGGSA-N	553.081	4.045	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)c1	260707310	BGSXJTUXQUZLTL-JOCHJYFZSA-N	552.653	4.040	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260982015	OFWCJIDCVYMHKX-SFTDATJTSA-N	570.643	4.261	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc([N+](=O)[O-])o1	408731426	MIODTHCBKFGWMJ-CJIXEESDSA-N	634.623	4.294	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c2=O)=N1	409037383	NJPXTULBYWAESI-IZBTWGKQSA-N	646.516	4.275	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409147783	ZDWFAYIMGNOGHU-YOKWNPFVSA-N	663.490	4.027	5	40	KIBB	
CCC(=O)OCCC[N@+]1(C)CCc2cc(OC)c(OC)cc2[C@H]1Cc1cc(OC)c(OC)c(OC)c1	604938648	WWTRZMVMQNBCBQ-KPURRNSFSA-N	502.628	4.359	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	6545169	ZHKHYCCEVOIRRU-SUAMDDGLSA-N	616.608	4.416	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)[C@H](CC)c1ccccc1	11691296	TUMJNYBDRQIAEQ-LUFFLOGQSA-N	520.589	4.495	5	40	KIBB	
Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1Cl	112240201	UHRQADKOWGTCHR-UHFFFAOYSA-N	552.016	4.254	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	164543305	UNQMYTJKAAESMR-BQKWAYIGSA-N	683.480	4.163	5	40	KIBB	
COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1F	8856950	IELTWNYBYJVGSQ-SFHVURJKSA-N	514.579	4.427	5	40	KIBB	
CCOC(=O)c1c(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCC2	12489350	FJBYAPSNTIIWSB-UHFFFAOYSA-N	515.569	4.375	5	40	KIBB	
Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3O)nc2c1	105306440	WWXYGHDBANGGAW-UHFFFAOYSA-N	533.566	4.380	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225331914	KVMAKXJBKJUEFX-DLBZAZTESA-N	573.499	4.308	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225395319	FAQJSFMYNOGPJQ-HHHXNRCGSA-N	582.679	4.132	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408638630	CVUOLTDOUGTOLN-UHFFFAOYSA-N	594.374	4.356	5	40	KIBB	
CCn1c(CNC(=O)COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	409159748	WYOSQIFWJAMFEX-UHFFFAOYSA-N	526.619	4.064	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	1874841	WFTDSAQLBKEKTL-PWUYWRBVSA-N	540.576	4.021	5	40	KIBB	biogenic
CCOc1ccc(-n2c(CNC(=O)c3cccc([N+](=O)[O-])c3C)nnc2SCC(=O)N2CCc3ccccc32)cc1	100840297	GSRPZSBPXWZKHU-UHFFFAOYSA-N	572.647	4.494	5	40	KIBB	
COC(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)cc([N+](=O)[O-])c1	102959672	ZHXYRJXJJPXTOU-UHFFFAOYSA-N	568.608	4.433	5	40	KIBB	
CC(C)CSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)s1	225435826	LGQIJFSKEUWVHS-UHFFFAOYSA-N	507.619	4.028	5	40	KIBB	
CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1	408638895	UWQMBSHRPYDYKD-FQEVSTJZSA-N	532.505	4.343	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408646284	IOFTTZLXCGYYDZ-IAGOWNOFSA-N	504.326	4.317	5	40	KIBB	
COCCN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409129613	UWRNNQRHOREMPG-WOJGMQOQSA-N	570.361	4.470	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409138733	HFGHWBHIXFUVAA-NRFANRHFSA-N	541.590	4.281	5	40	KIBB	
Cc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)nnc23)c1	2641445	FNWFOFZDYUCUPF-UHFFFAOYSA-N	500.540	4.289	5	40	KIBB	
Cn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2cc([N+](=O)[O-])ccc21	11634339	UQERMVCFWVCSDD-OCOZRVBESA-N	508.581	4.031	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12	103534914	QILMXKJVQQGJMN-PTRUDAKASA-N	528.952	4.263	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224090163	FTFJTINWIVDWFD-QHCPKHFHSA-N	596.706	4.297	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4cccs4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408644269	QUNOOCCADVZGHB-XZOQPEGZSA-N	573.583	4.457	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408648606	WUKHHRBVNPRYNZ-IAIFEWERSA-N	614.567	4.384	5	40	KIBB	
CCOc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409190135	LFBRAHQYHQOYHR-YBFXNURJSA-N	502.435	4.286	5	40	KIBB	
O=C(Nc1ccc(Cl)cc1)Nc1nnc2nc(C(C(=O)c3cccc([N+](=O)[O-])c3Cl)c3nc4nnc(NC(=O)Nc5ccc(Cl)cc5)n4[nH]c3=O)c(=O)[nH]n12	196144327	LWJOAVCYUYQFNZ-UHFFFAOYSA-N	806.931	4.110	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223862974	TXZDMGCUMPORPY-OAQYLSRUSA-N	600.669	4.190	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225217540	OFWCJIDCVYMHKX-LEWJYISDSA-N	570.643	4.261	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225576403	NLEHJJYXJKPNIC-SSEXGKCCSA-N	600.697	4.485	5	40	KIBB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n21	408963650	IFPZEXKJHPICJB-XGLKJEJJSA-N	659.717	4.319	5	40	KIBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Cl)c(Br)c1	409148718	QSUGAGZVRUVMDA-UHFFFAOYSA-N	553.826	4.283	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409182660	MUOJHCJEONDLDE-ITIZVALFSA-N	592.561	4.322	5	40	KIBB	
COc1ccc(CNC(=O)C[C@H]2N=C3c4ccccc4N=C(SCc4cccc([N+](=O)[O-])c4)N3C2=O)cc1	2968390	SVAOFOFZEZVUPX-HSZRJFAPSA-N	529.578	4.202	5	40	KIBB	
O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)Nc1ccc(Cl)c([N+](=O)[O-])c1	12621036	PEYFFSASRDPBQO-UHFFFAOYSA-N	506.931	4.326	5	40	KIBB	
Cc1c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	19856806	GNVBGFYDRBYWIG-UHFFFAOYSA-N	504.362	4.500	5	40	KIBB	
COc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1-c1ccc(CO)o1	20153245	MVPPQPSEFMQNQD-UHFFFAOYSA-N	510.572	4.473	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1ccccc1	103862476	MJCYBGIZLLHFDK-WNOSOOIWSA-N	606.454	4.312	5	40	KIBB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl	408689210	XVEYKZFYUOGRRN-UHFFFAOYSA-N	543.275	4.346	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1	408998963	QYJGPSFZDBEGCE-GMPUOFRTSA-N	618.649	4.180	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409086142	FTYSGGXGHWSMEL-RWTNITNYSA-N	624.100	4.310	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)N1CCc2ccccc2C1	409269531	CLWXEPPWNFRGTD-OEAKJJBVSA-N	502.552	4.066	5	40	KIBB	
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)c(Cl)c2)cc1[N+](=O)[O-]	4121979	ABTKJZZSJSSBMF-UHFFFAOYSA-N	560.057	4.408	5	40	KIBB	
O=C1CS[C@@]2(C(=O)N(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc32)N1c1cccc(Cl)c1	29747538	BNTQYWOIKKJHKI-MHZLTWQESA-N	550.040	4.307	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	100949416	LSYSBRNSOBJRCO-FCKOQQNDSA-N	549.008	4.151	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1	105498769	ZCVDSBDELDLSEV-YVBHXKDBSA-N	615.664	4.303	5	40	KIBB	
COc1c(Br)cc(Br)cc1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	107957172	SFRKUWABIUYURH-GORDUTHDSA-N	610.303	4.327	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	260900666	DSXMJMURSINCHY-GOTSBHOMSA-N	566.680	4.431	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N1	409034310	NMJQSEVLWVEQQP-PRLWALMFSA-N	585.638	4.294	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409090954	RWAZTJLIAJLNLA-XQNWCSQWSA-N	602.669	4.289	5	40	KIBB	
CCn1c(CNC(=O)c2ccccc2C)nn(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1=S	409160959	RQFHXSUYHSMDMG-UHFFFAOYSA-N	537.627	4.343	5	40	KIBB	
O=C(c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23)N1CCN(Cc2ccc3c(c2)OCO3)CC1	20759169	IRNVBXZPRXYYGI-UHFFFAOYSA-N	516.557	4.279	5	40	KIBB	biogenic
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21	35852010	NGFOLCMPKJGNRL-VIBZAKEUSA-N	522.561	4.226	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NCC(C)C	224117651	VSXVMWSYIXNJNA-QHCPKHFHSA-N	566.680	4.288	5	40	KIBB	
COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1	409178550	KZPGHMIKXPKRPS-UHFFFAOYSA-N	520.494	4.276	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1	2146647	XBVFMZIGEXMOGU-DBXPASCUSA-N	555.612	4.286	5	40	KIBB	
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)NC1CCCCC1	12546643	CMKGPQFYXNAKSB-CQSZACIVSA-N	509.968	4.043	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)O)cc1[N+](=O)[O-]	100008833	IDHBLOZOXZRVHM-UHFFFAOYSA-N	547.181	4.344	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)C(c1ccccc1)c1ccccc1	101176797	JNRDEFZRLRZYPS-BNIPGBBVSA-N	550.615	4.122	5	40	KIBB	
CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)[C@H]1c1ccccc1	102770299	OWZAHLFMWUAULW-PXDATVDWSA-N	535.354	4.360	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	224892032	IOUBROBXRWGJIB-MHZLTWQESA-N	601.125	4.487	5	40	KIBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1	408650363	MLANQFIVWSTTBS-GOSISDBHSA-N	506.898	4.258	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	409170666	WEBWWPBNGOCOPF-BKUYFWCQSA-N	587.563	4.185	5	40	KIBB	
CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1	100826167	BJLHZWATVWWLOE-XMMPIXPASA-N	528.612	4.205	5	40	KIBB	
CC(C)C[C@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]21	101509363	IUTMDQGNVXQXJW-RHRDVFBWSA-N	570.005	4.328	5	40	KIBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	102763718	JKHDSYGWXDPJOK-PQNGQFLHSA-N	539.928	4.325	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224884008	GJNQMVZQMCHJOK-MUUNZHRXSA-N	596.706	4.378	5	40	KIBB	
CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)ccc1Cl	100369606	GHYZHBSZJAKAGW-GRSHGNNSSA-N	566.013	4.184	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1OC	163636463	RSEKXUYSFYBRGM-BXMULHQWSA-N	645.690	4.311	5	40	KIBB	
COc1ccc(Cl)cc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1	409170654	WUJFJQCNOOTKJG-LJQANCHMSA-N	518.983	4.233	5	40	KIBB	
O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	409378483	PYYVMGBZVYTUBK-PMACEKPBSA-N	547.303	4.376	5	40	KIBB	
Cc1nn(-c2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12	9720479	SDNLZBNHLSWNFC-UHFFFAOYSA-N	503.946	4.218	5	40	KIBB	
C[C@H]1CCC[C@H](C)N1CCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12	9860269	JEVUGXBXHKECDP-SFTDATJTSA-N	510.646	4.294	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1	10059883	CYEMECOHWKKILN-UHFFFAOYSA-N	516.554	4.295	5	40	KIBB	
O=C1CN(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](c2ccccc2)c2cc(Br)ccc2N1	11617090	YXVBVJAFHVWJFZ-OAQYLSRUSA-N	511.288	4.449	5	40	KIBB	
Cc1ccc(Cl)cc1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	13838704	AJESOGDRWJOSEY-UHFFFAOYSA-N	511.921	4.049	5	40	KIBB	
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1	23182084	ZDHXSNGJHGAXFO-HXOBKFHXSA-N	504.609	4.026	5	40	KIBB	
COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3C)[C@H](c3ccc(C)cc3)C2)cc1	100817019	QNRJAJDPLAEBJM-SANMLTNESA-N	599.673	4.440	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1	101095271	MAVWGOHZRPHVKK-DMIYOLGCSA-N	542.636	4.352	5	40	KIBB	
C[C@@H]1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1	104200344	TUKROMYUXCQTMV-XKXDIVCFSA-N	595.473	4.154	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	205868917	FNOQRCCWSGHUQW-HYARGMPZSA-N	511.556	4.231	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1	222719385	LRZKBPMCGVDJPW-QFIPXVFZSA-N	566.680	4.431	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409050244	SVPHJOITQUSPRQ-NXYYLBPMSA-N	687.727	4.236	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c([N+](=O)[O-])c3)C2=O)o1	409398358	DGOQLASILUFYRM-NVMNQCDNSA-N	556.871	4.208	5	40	KIBB	
COc1ccccc1CCNC(=O)c1c(N)n(-c2cc([N+](=O)[O-])ccc2OC)c2nc3ccccc3nc12	2289796	IZDOKXRMVKLCQM-UHFFFAOYSA-N	512.526	4.054	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	102575864	RWOZBOIYDAWRQA-FUFSCUOVSA-N	540.576	4.021	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccc(C)c([N+](=O)[O-])c1	103629726	YWSYWDMPPIGRQS-MXNGAVTRSA-N	551.559	4.026	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	408654008	QJJMUWCQKOSYFZ-NREPNLDQSA-N	612.551	4.160	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC	409093977	CADKNEYDOCBETD-QPJBPQEWSA-N	590.633	4.420	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	409149490	HSVURAZJUMPTNA-XGLZOBASSA-N	647.735	4.282	5	40	KIBB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1	197829131	FVVAQIAVAJLEJA-UHFFFAOYSA-N	626.669	4.247	5	40	KIBB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223880860	GZSOYZMYQIOXEV-OAQYLSRUSA-N	603.525	4.400	5	40	KIBB	
CCc1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)cc2)cc1	224863664	CWQGYTMSNRHEOW-UHFFFAOYSA-N	511.600	4.241	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3[N+](=O)[O-])c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408729492	BNYHXNUFPBWTNU-DQARITGZSA-N	630.635	4.311	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409127624	DRUCGJCQHULEMK-LZYBPNLTSA-N	523.317	4.066	5	40	KIBB	
CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409140055	PSNKHBIXEFQQKB-NRFANRHFSA-N	512.592	4.073	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224276109	WSWCOEMBWPDSBG-RUZDIDTESA-N	573.071	4.387	5	40	KIBB	
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	408710495	WEKRASAUIURCPZ-UHFFFAOYSA-N	526.512	4.075	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3[N+](=O)[O-])c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408729493	BNYHXNUFPBWTNU-YRSDHNRQSA-N	630.635	4.311	5	40	KIBB	
Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)c1	3289063	NTYDHDOLNGGPST-XMMPIXPASA-N	501.495	4.121	5	40	KIBB	
COC(=O)c1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	100077894	YOXSRPPHAZGOJR-UHFFFAOYSA-N	547.973	4.186	5	40	KIBB	
COc1ccc(OC)c(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)nc3ccccc3c2=O)c1	103078707	ZSUCXHNAWFOEDG-UHFFFAOYSA-N	522.539	4.051	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	106709414	LATQBAKKRUYADW-STZFKDTASA-N	569.573	4.046	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	109051864	CCANPNILRUOIQB-IZBTWGKQSA-N	572.039	4.156	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1	164543438	UNQMYTJKAAESMR-GMPUOFRTSA-N	683.480	4.163	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225649747	LUHVYZVSFDRJII-LJAQVGFWSA-N	610.733	4.234	5	40	KIBB	
CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1	256055917	YZYXUQGPUKSYBA-ZCILTOTFSA-N	548.646	4.089	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261034353	XPRGIJYORRXWQW-KKSFZXQISA-N	603.525	4.398	5	40	KIBB	
CCOCCCn1/c(=N\C(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	102548970	MYDQROGEZZSTBB-GXVXDJONSA-N	620.703	4.498	5	40	KIBB	
COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1	105306659	GMXKHIRVGRJPPL-UHFFFAOYSA-N	533.566	4.375	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224915939	DKNWRYXQFOVNQS-MUUNZHRXSA-N	596.706	4.378	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225077342	NFDGSMXUDJIPEA-SANMLTNESA-N	552.653	4.124	5	40	KIBB	
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	408534927	MYPFFZCVLLIKQC-UHFFFAOYSA-N	523.402	4.045	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408943553	LPILHUSDLGCPSC-RWTNITNYSA-N	565.991	4.238	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	22278924	FOBLXBWLFVQBBK-UHFFFAOYSA-N	505.936	4.099	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105317612	FSKHBHPQDHYABG-UHFFFAOYSA-N	615.137	4.236	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222859300	YAPFKLSZTMJLLH-HHHXNRCGSA-N	582.679	4.131	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@H]5c5ccccc5)[C@H]4C3=O)cc2)c1	408690307	UWKZHFOIMJNPQX-KHUHPIKESA-N	569.570	4.328	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1OCC	408739049	SCVRMFZIJRDBTG-GTWFGUSFSA-N	559.600	4.365	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3ccc(Cl)cc3)C2=O)o1	409398028	BCCRBHNPUMQJGG-NVMNQCDNSA-N	589.344	4.392	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccccc4Cl)c([N+](=O)[O-])c3)C2=O)o1	409400001	MWRHJUBYXQUWLF-NVMNQCDNSA-N	541.900	4.308	5	40	KIBB	
O=C1CS[C@]2(C(=O)N(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c3ccccc32)N1c1cccc(Cl)c1	29747540	BNTQYWOIKKJHKI-HHHXNRCGSA-N	550.040	4.307	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	103626904	LKSNRCYQFCLPES-MIUGUJGPSA-N	615.664	4.303	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(O)n4)c(=O)n32)cc1	409103659	DTEYXCNANDISGT-KLKBWYFJSA-N	647.735	4.449	5	40	KIBB	
CC(C)[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12)c1nc2ccccc2[nH]1	618251088	WYIMPPSRXTWMJR-KIHXOPMZSA-N	552.635	4.311	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1	1874580	OLGQGZQSNYLOIX-NXCFDTQHSA-N	533.537	4.452	5	40	KIBB	
CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC	101186339	FEIXJYOIIGFHJV-SDHSZQHLSA-N	503.511	4.443	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224981223	AEHIHSRDFYZPJY-FGZHOGPDSA-N	552.653	4.122	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225708489	CCFWTKAMYHPKKS-MHZLTWQESA-N	596.706	4.439	5	40	KIBB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	408649586	YIIXTXAYEOVETA-UHFFFAOYSA-N	528.304	4.447	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O	408712393	WHPHRUCMMYBVSY-UHFFFAOYSA-N	587.463	4.416	5	40	KIBB	
O=C(O[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1Cl	409377979	MGPNVVAZUCNELW-VQTJNVASSA-N	547.303	4.376	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	101214516	PYWWPPKIHWRSDQ-PLXFJCCSSA-N	549.536	4.070	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222692653	YIYGCIOGLMADEN-KRWDZBQOSA-N	579.462	4.260	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222846520	YVDDGRPTCICSAL-PMERELPUSA-N	616.696	4.185	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223263956	RRABBPPKUUWWGN-RUZDIDTESA-N	505.571	4.067	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224408782	IKULEILLGHXNPY-KRWDZBQOSA-N	573.499	4.166	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	260776172	JIJJGDVYRQRNEC-QGZVFWFLSA-N	585.510	4.452	5	40	KIBB	
COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	408643416	PIZAANLPPIPIFC-CQSZACIVSA-N	507.886	4.182	5	40	KIBB	
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc([N+](=O)[O-])c4O)c(=O)n32)c1	408768822	KOZXNRUNZAWICP-MFUBYVTQSA-N	621.469	4.259	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1	409099687	SUHPTZYWWYUZJI-MLJBDGAYSA-N	635.749	4.384	5	40	KIBB	
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c1	918578	BBKLKOWYYOETEE-UHFFFAOYSA-N	523.567	4.235	5	40	KIBB	
Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1	1396989	LLMBSRYLOCRIKK-GOSISDBHSA-N	538.449	4.304	5	40	KIBB	
COc1ccc(C(=O)N/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCCCn2ccnc2)cc1	8921496	DQTSJRSLUALTMY-QJOMJCCJSA-N	515.526	4.037	5	40	KIBB	
COc1ccc(N(CC(=O)NCCCc2cccc(C)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	13668967	ICEWIIDNZCRARH-UHFFFAOYSA-N	511.600	4.165	5	40	KIBB	
Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21	35851585	ADMFIICMWZIGRN-ANAFOTAVSA-N	500.580	4.425	5	40	KIBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1	102548609	NVNKPUXJRAPYLI-PFBJBMPXSA-N	571.567	4.414	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)ccc2N2CCCCC2)cc1	103050220	FMJFCDXSZVJOST-UHFFFAOYSA-N	595.678	4.483	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222921034	USYPZTWGIKFCNC-NDEPHWFRSA-N	610.733	4.482	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223340089	BFUCUWHGPBIOSK-NEKDWFFYSA-N	580.707	4.224	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223396070	QVEQXVAXPWINDO-QDPGVEIFSA-N	580.707	4.224	5	40	KIBB	
COc1ccc([C@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1	1547138169	QZTPDYZSVYBBHM-HJQHPGTASA-N	542.636	4.443	5	40	KIBB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c(C)c1	9009852	DGPYGWKOWBDUQU-QUMGSSFMSA-N	508.534	4.240	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1	9088326	HGLVIFNJPCFVLH-QUMGSSFMSA-N	509.518	4.310	5	40	KIBB	
COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	26964412	ZRVRGPWDGRCVTK-HSZRJFAPSA-N	503.540	4.271	5	40	KIBB	
O=C(CCCC(=O)OCC(=O)c1ccccc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	97945602	XCPRUMIYFPUGCJ-UHFFFAOYSA-N	532.505	4.169	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408646639	TYWOOUYHXXBYPA-VOBQZIQPSA-N	528.359	4.019	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	409100259	UUBWPQUREUHBME-OXIKZWMZSA-N	556.644	4.174	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1cccc(C)c1	409360415	PSGNOQWTUYMWMJ-CQSZACIVSA-N	502.984	4.390	5	40	KIBB	
COC(=O)c1c(C(=O)OC)c2cc(Cc3ccc([N+](=O)[O-])cc3)ccn2c1C(=O)c1ccc([N+](=O)[O-])cc1	2279315	LXWBPKUQZNEBJO-UHFFFAOYSA-N	517.450	4.151	5	40	KIBB	
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	4125279	GUPJEUJCMUNBOX-GORDUTHDSA-N	521.401	4.109	5	40	KIBB	
O=C(c1ccccc1O)c1cc(-c2ncc3c(=O)c4ccccc4oc3n2)c(-c2ccccc2O)[nH]c1=O	16953160	DZVALTLNQFLCLH-UHFFFAOYSA-N	503.470	4.401	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc(OCc4ccccc4)c3)CC2)c([N+](=O)[O-])c1	408574592	SJRBKTLXGHIJAY-UHFFFAOYSA-N	548.621	4.187	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408642149	DOVGTQXACBSOEN-IRXDYDNUSA-N	502.310	4.093	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1	408647414	VKLXCHABBMMYCK-UHFFFAOYSA-N	624.518	4.267	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409029852	BSXAERDRPQUMGN-RWTNITNYSA-N	572.039	4.156	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccn4-c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1	409041257	UIKXEDBSCJWMGM-ABBNRAPFSA-N	572.643	4.284	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(SC)cc1	8399937	NJVAMEOSYQSKIV-OGRZUZBBSA-N	578.716	4.419	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)cc1	20239092	FLWXDJHWQHZHRJ-UHFFFAOYSA-N	520.032	4.493	5	40	KIBB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1	27024246	NADKUXOLLSYMJL-UHFFFAOYSA-N	524.526	4.184	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@]2(C(=O)Nc3ccc(Cl)cc32)N2CCC[C@H]2[C@@]12C(=O)Nc1ccccc12	97954534	RPTKCNLFCBXWBF-ZGZOUGAKSA-N	528.952	4.263	5	40	KIBB	
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)c2sc(=O)[nH]c2S[C@H]31	150352307	KVEXQSMVCLEQPB-GSODLCRLSA-N	628.084	4.135	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408640522	JEAZPZNVIREQEN-IEBWSBKVSA-N	513.506	4.219	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1	408730527	HKNJSNBCNLVCNT-ZJTZAHLKSA-N	630.635	4.311	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408767405	XBXMEEKKYDDATM-SCRHHBKZSA-N	666.506	4.329	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCCc4ccccc4)cc3c3ccnc2c31	8792417	VKLQFGUHNUMJTL-UHFFFAOYSA-N	507.546	4.347	5	40	KIBB	biogenic
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1Br	101240879	SITBJMVEILNJBS-FSSWDIPSSA-N	524.327	4.417	5	40	KIBB	
COc1ccccc1CNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	104708753	SFAKZHSFDOMTMN-UHFFFAOYSA-N	533.990	4.086	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	205810939	PZSJTAJOGOLJRG-HYARGMPZSA-N	511.556	4.231	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224674252	UELMBNCXKVTNMH-QFIPXVFZSA-N	552.653	4.042	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	105498722	UTVVEBLPGQZEJQ-ASZNLBCTSA-N	585.638	4.294	5	40	KIBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1c(I)cc(I)cc1C(=O)O	150341783	QVGLPUAQIXTUKA-SNAWJCMRSA-N	623.166	4.029	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224757048	JWTPLBCNSSCWQD-QHCPKHFHSA-N	596.706	4.359	5	40	KIBB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1	408682471	GNJUFGPVFXYSKB-CABZKWKSSA-N	539.544	4.320	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1	408998960	QYJGPSFZDBEGCE-BQKWAYIGSA-N	618.649	4.180	5	40	KIBB	
Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12	409333201	ILDSYQPSQHCAGJ-ABXDHCHGSA-N	538.512	4.462	5	40	KIBB	
CCOC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12	8765811	LBVFIDGNCBAROG-UHFFFAOYSA-N	509.496	4.257	5	40	KIBB	
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@@H]4O[C@@H](CO)[C@@H](OC)[C@@H](O)[C@@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O	11616969	JSKFWUPVIZYJMR-QOQHUDEZSA-N	669.562	4.300	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	44802894	SWBDBOLICLUPDK-UHFFFAOYSA-N	519.963	4.408	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1c(F)cccc1Cl	100820927	CDDBBJOQPLCXQG-WMMMYUQOSA-N	520.904	4.001	5	40	KIBB	
O=C(OCc1ccc(F)cc1)[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	102928063	CLKCQTAOKAIBLA-AREMUKBSSA-N	582.610	4.003	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1cccc2c(Cl)cccc12	110350856	LVUVGQYSSRAKQF-UHFFFAOYSA-N	540.045	4.075	5	40	KIBB	
COc1cc(C(c2c(C)n[nH]c2O)c2c(C)n[nH]c2O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	112265356	WOBDOMMBZSZIMH-UHFFFAOYSA-N	591.362	4.441	5	40	KIBB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1NS(C)(=O)=O	225488243	JXILVRVZBLYJPM-JWQCQUIFSA-N	564.649	4.338	5	40	KIBB	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	408711370	OKAQVEOSJCVLRD-UHFFFAOYSA-N	567.045	4.071	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc(O)c(OC)c1	408730864	JQQSBUIWVDWWLM-SZYVSPPHSA-N	631.663	4.117	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(I)c1O	408919149	UBEFZIXLSMEYJD-OVCLIPMQSA-N	512.281	4.150	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n32)cc1OCC	408943723	LWKZJDQSMSQIJK-UONGPDOGSA-N	646.634	4.424	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	409149489	HSVURAZJUMPTNA-LXYLXTGBSA-N	647.735	4.282	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409157209	UQTNLIDWQVABBX-FMCGGJTJSA-N	580.550	4.435	5	40	KIBB	
CCN(CC)CCNc1ccc(CO)c2oc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3c(=O)c12	5486807	QFLKRNMJXQIZEE-UHFFFAOYSA-N	510.612	4.268	5	40	KIBB	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	97955080	JKHDSYGWXDPJOK-IMSXRSKXSA-N	539.928	4.325	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	100897877	OPHQUYPJAKIGPB-LIONHTAISA-N	524.489	4.210	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225108358	LJJXFKHZNXFUNX-MHZLTWQESA-N	566.680	4.432	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)c2)c1	408686219	MXMAQQBEZJJIHH-BZERRRCQSA-N	569.570	4.328	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	9233296	YILTYFMETDEXTE-MOSHPQCFSA-N	506.496	4.466	5	40	KIBB	
COc1ccc([C@@H]2C[C@H](CNC(=O)C3CCN(c4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])CC3)ON2C)cc1	12949907	GEOKJAUUTGCLSD-UXHICEINSA-N	567.521	4.240	5	40	KIBB	
O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1	27016435	GRAQXJNFMHGUBU-FQEVSTJZSA-N	509.316	4.354	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222732398	BDKJNXCRGXULQH-HXUWFJFHSA-N	589.498	4.008	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC1CCCC1	261041384	ZGWNWJIFZJAQKE-GDLZYMKVSA-N	592.718	4.368	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(OC)c4)c(=O)n32)cc1OCC	408933041	GXVRQUWVLSJFNL-JNNIQXQOSA-N	645.690	4.311	5	40	KIBB	
CCOC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C(=O)NCc2ccccc2)c1C	409115575	MUVUBFXZGPHBRM-UHFFFAOYSA-N	517.585	4.181	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	2146635	DDVYITMRRONZMK-DBXPASCUSA-N	555.612	4.286	5	40	KIBB	
COc1ccc(C2=NN(C(=O)c3cc([N+](=O)[O-])c(N4CCOCC4)c([N+](=O)[O-])c3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1	8440031	OTSUCUUNRFPKCN-QHCPKHFHSA-N	576.522	4.248	5	40	KIBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1F	19856637	PSVLSJMLLXTPLY-UHFFFAOYSA-N	508.325	4.330	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=c3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1	103865455	LVCXJXAZBAMDHG-QPJBPQEWSA-N	554.628	4.408	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222717428	UAAZLJZFYXQOMM-DEOSSOPVSA-N	593.489	4.054	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222962579	RGKJAFSKPRNXAP-LJQANCHMSA-N	621.087	4.453	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224607708	UCGFSJPRWJHFJI-SANMLTNESA-N	535.597	4.157	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12	247313943	JIELLSOSXQTUFY-YCAMKHIRSA-N	559.376	4.386	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408643807	QAIHNFKULGQSGG-UHFFFAOYSA-N	532.465	4.075	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)cc([N+](=O)[O-])c4O)c(=O)n32)cc1	409092331	UOFZUHLYPZHPME-JGTYQCAFSA-N	621.469	4.259	5	40	KIBB	
COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1	57317182	ZQVUSDDQPBUECT-UHFFFAOYSA-N	529.597	4.418	5	40	KIBB	
CC1(C)C[C@H]2C[C@@](C)(C1)[C@H]1N2c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O	102788337	JWRZZLCHFOAEFJ-WXTNAUMQSA-N	502.571	4.190	5	40	KIBB	
O=C(CSc1nncn1-c1ccccc1)Nc1c(Br)cc([N+](=O)[O-])cc1Br	103098522	GOATVEUXFWWFAU-UHFFFAOYSA-N	513.171	4.431	5	40	KIBB	
O=C(NC(=S)Nc1c(I)cc(I)cc1C(=O)O)c1cc([N+](=O)[O-])ccc1Cl	150342145	RBVSYCGTXZOOHH-UHFFFAOYSA-N	631.573	4.282	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224791949	IEAVYBSKLVCUKS-JOCHJYFZSA-N	573.499	4.247	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225367638	INBMULNLKCBQCR-HHHXNRCGSA-N	582.679	4.132	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12	229608694	QILMXKJVQQGJMN-DIMQNKOASA-N	528.952	4.263	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)cc1	9358637	IUTWYLKQEPPCIC-POTDNYQPSA-N	507.502	4.196	5	40	KIBB	
Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12	19941566	BMHKUYOVLAKFSK-AREMUKBSSA-N	528.617	4.148	5	40	KIBB	
Cc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1	59331492	ISHCULXXQLBMMN-UHFFFAOYSA-N	519.583	4.119	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	111461084	GOAMVGVHRAVXCU-PRLWALMFSA-N	619.652	4.382	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O)N1CCOCC1	214305325	CTYVKFBTACDLQD-YBFXNURJSA-N	537.472	4.301	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	224210475	USFXNQGYROBQHI-MHZLTWQESA-N	610.733	4.233	5	40	KIBB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2)cc1Cl	408582345	CLOLRLMNTHVSRL-UHFFFAOYSA-N	503.964	4.395	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])cc(Br)c4O)c(=O)n32)cc1	409089988	NYSSMZDZFOGLGT-JGTYQCAFSA-N	621.469	4.259	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409167297	HXIAUGZUZUWTHE-VROXFSQNSA-N	606.569	4.025	5	40	KIBB	
CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409232251	POCWDRFCUCSMBK-LICLKQGHSA-N	537.310	4.090	5	40	KIBB	
CCOc1ccc(NC(=O)CCSCCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	13985889	CKHUVIMLVWYAOE-UHFFFAOYSA-N	506.537	4.391	5	40	KIBB	
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	16035251	ZULPAKODZSFDPI-KEZOAJOQSA-N	514.925	4.402	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4ccc(Br)cc4C3=O)c(C)c2)CC1=O	408664155	NTVRXNZCVLBQTJ-HNNXBMFYSA-N	594.374	4.433	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1	409100642	RCOZTSVXJNYMFI-LMVGNEGFSA-N	647.735	4.451	5	40	KIBB	
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	409135831	QTLPAROBXTVMQW-UHFFFAOYSA-N	544.018	4.161	5	40	KIBB	
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	4647776	JJDZJBHGBNDFDJ-GFCCVEGCSA-N	509.949	4.295	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1ccnc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	59924124	CNTSKNWFQJIBGC-UHFFFAOYSA-N	570.027	4.263	5	40	KIBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223873446	GQPBERAJTKEJIJ-NRFANRHFSA-N	582.654	4.405	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224144826	MTTXGZLPDNSRQM-SANMLTNESA-N	552.653	4.042	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCc4cccnc4)cc3c3ccnc2c31	8792392	MBTSZQYHBBMEJP-INIZCTEOSA-N	508.534	4.088	5	40	KIBB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1cccc2ccccc12	97965457	XLVYQSMYTYWGGK-YOKWNPFVSA-N	594.443	4.328	5	40	KIBB	
CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222649567	VDYNRWNHKHVFPL-MHZLTWQESA-N	601.125	4.427	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224030440	GCFKWFDFNJHXEK-FQEVSTJZSA-N	633.123	4.323	5	40	KIBB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1	225237099	ZXYVCMDYCYGUOD-LJAQVGFWSA-N	592.718	4.450	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	261038970	YNYYFTMUTWYVSU-MUUNZHRXSA-N	626.707	4.207	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O)N1CCOCC1	409133102	ZNCUVAVUYPCFON-YBFXNURJSA-N	552.392	4.376	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3ccccc3C)C2=O)o1	409401333	SNZTXBSXDSHVMY-GRSHGNNSSA-N	568.926	4.047	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222421063	BMZGEYWCLCZSRH-HHHXNRCGSA-N	566.680	4.431	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2C=Cc4ccccc4[C@@H]32)cc1	248378183	IUTWYLKQEPPCIC-ROXDYWFKSA-N	507.502	4.196	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F	408570078	YPFXCJSPQKLVJQ-MOXRBOSHSA-N	503.530	4.468	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1	409035050	IVGARUWNSJPBEJ-CSJROMOCSA-N	572.643	4.284	5	40	KIBB	
COC(=O)C(=Cc1cc(Br)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)OC	409044315	BELXSEAOKRODBL-UHFFFAOYSA-N	529.137	4.428	5	40	KIBB	
COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	14276202	BVIWWFXTXUAUBO-UHFFFAOYSA-N	509.544	4.176	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	100745963	ICXKMSRJMBPJHQ-PRLWALMFSA-N	619.652	4.382	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)cc1	260923533	IPMZSTXDAONASS-GDLZYMKVSA-N	594.734	4.390	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]12	408645161	HNANZYGALWUMMR-XMLVGPMBSA-N	516.337	4.339	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1cccc(OC)c1	408995342	MLVCQJDBTCJDRC-WDONWYDGSA-N	636.480	4.321	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	97948476	NLBMEFDRMZUOOF-UHFFFAOYSA-N	573.650	4.183	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224015908	BWMDJHOSGHKKOA-VWLOTQADSA-N	505.571	4.149	5	40	KIBB	
COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408569932	KHPPLDJCNMLIOI-MMOZRLFVSA-N	538.944	4.404	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])o1	408731428	MIODTHCBKFGWMJ-ZDZYTSRMSA-N	634.623	4.294	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732701	XPGWELSVODTLNF-XMMPIXPASA-N	551.621	4.155	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(OC)c1OC	408826180	CIHUXXCKOUGFHJ-CRCYZHLCSA-N	555.612	4.253	5	40	KIBB	
CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409079068	JZHLJKXAPRDSKI-UHFFFAOYSA-N	572.264	4.028	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O	409231952	LWUWSQDMSHRCHX-FYJGNVAPSA-N	581.379	4.476	5	40	KIBB	
O=C(NS(=O)(=O)c1ccc(NCCN2CCOCC2)c([N+](=O)[O-])c1)c1cc2ccccc2n1CCCc1ccccc1	585273376	TVNNNMVYKWPUPN-UHFFFAOYSA-N	591.690	4.045	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	163763370	ZBFKFYWVPJYIQI-LRAMOIDDSA-N	630.591	4.136	5	40	KIBB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224712170	VHGDDKVTTKPHKE-FQEVSTJZSA-N	617.522	4.495	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224762324	OHBINOQJUAVTMC-RUZDIDTESA-N	505.571	4.147	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O	224832671	UKGZATMJTLERJF-UHFFFAOYSA-N	517.991	4.196	5	40	KIBB	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	20528751	GJQNMFMJXFOQLH-UHFFFAOYSA-N	530.025	4.032	5	40	KIBB	
O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(I)cc1	105650584	KCJNQNHRIFONKF-ISQHLFTMSA-N	522.298	4.076	5	40	KIBB	
O=C(NC(=S)Nc1ccc(I)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112243722	QFKYBLNZSIQNDG-UHFFFAOYSA-N	580.326	4.182	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(OC)cc1	164531078	FDXTXRROBGBTCW-GLSAMTQTSA-N	636.480	4.321	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224947353	RSDINGUJKBQUPU-NDEPHWFRSA-N	580.707	4.412	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1	409029353	ZYEUOKBWTCIGFJ-UHFFFAOYSA-N	544.589	4.359	5	40	KIBB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O	409103177	XFHQGFMQEROECA-SGEFVQMOSA-N	568.345	4.376	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	1315855	KDQRKIRJGGNYDL-XPNTWCBSSA-N	554.353	4.118	5	40	KIBB	
O=C(OCc1ccc(Br)cc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	12621179	ZFHFDNXKBMQWFF-UHFFFAOYSA-N	517.785	4.155	5	40	KIBB	
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)c2)C[C@@H](C)O1	25395981	MTMWOMIYBULWGP-QZTJIDSGSA-N	507.564	4.101	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)sc2c1CCCC2	100766505	NRMQXNDENAVQLR-ZLNRFVROSA-N	533.562	4.373	5	40	KIBB	
CSc1ccc(C(=O)c2ccccc2C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1[N+](=O)[O-]	102847078	MCQUBHQXIRLLLR-UHFFFAOYSA-N	545.664	4.192	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	163656091	JVZIPPPRCVTIQF-FCVOFCDTSA-N	676.660	4.433	5	40	KIBB	
COc1ccc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224132669	FIMWBNLJVXPPOT-UHFFFAOYSA-N	548.017	4.264	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nn4c(CC)nnc4s3)cc2C)cc1[N+](=O)[O-]	14273889	QSLVOOHTDVYYDQ-UHFFFAOYSA-N	511.589	4.157	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N\C(=O)c1cccc(Cl)c1	101148993	VWINCBHTPDOXCB-KRUMMXJUSA-N	516.941	4.170	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	225582761	XBLUNCXLWIXISU-NRFANRHFSA-N	600.669	4.188	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260944337	JCZNITOOWVUOMO-IRXDYDNUSA-N	573.499	4.308	5	40	KIBB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1[N+](=O)[O-]	408641329	CMKHZSMJXBHASG-SFHVURJKSA-N	519.466	4.383	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408657444	UEBBGOHKEBTCQL-RGXZNCPUSA-N	567.554	4.085	5	40	KIBB	
CCOC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C(=O)NC2CCCCC2)c1C	409136460	USAILIXMWQRASF-UHFFFAOYSA-N	509.606	4.313	5	40	KIBB	
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc(I)c1OCc1ccc(C)cc1	409335736	ZDIPSKWMVNRSIC-BQYQJAHWSA-N	535.294	4.467	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)C2=O)o1	409399753	LKQLPYRXDQBNMR-NVMNQCDNSA-N	556.871	4.208	5	40	KIBB	
O=C(CCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1	138849016	ZCVJAWZTAQNKPO-BVSWHAQMSA-N	579.392	4.304	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cccs1	408791504	ZHOYCCITDRESCP-VVNKCDPRSA-N	622.637	4.477	5	40	KIBB	
COc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1sc2nc(C)ccc2c1N	215692339	JWVRYNJCXACOND-UHFFFAOYSA-N	520.523	4.396	5	40	KIBB	
O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1cccc([N+](=O)[O-])c1	408647912	BXWNZGZCVMAPTB-URFUVCHWSA-N	522.344	4.127	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1	408650378	MLLSYZQZSAJNCG-GOUQPXDXSA-N	581.581	4.394	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409089727	JQVJFUJUHYDRAQ-GJFKPFFXSA-N	629.533	4.324	5	40	KIBB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc(Br)c3O)C2=O)cc1	409099054	PTSOBCUHWMRLSP-LZYBPNLTSA-N	522.333	4.137	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409182661	MUOJHCJEONDLDE-YXDQGSNCSA-N	592.561	4.322	5	40	KIBB	
CCCn1/c(=N/C(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	11691339	XZSMUJSKQLOUPU-JJKYIXSRSA-N	522.989	4.174	5	40	KIBB	
Cc1ccc2nc3c(cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n3CCc3ccccc3)c(=O)n2c1	100826345	QSYGKPLBCVPGDN-UHFFFAOYSA-N	504.999	4.166	5	40	KIBB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@@H]2[C@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	101175818	SASMKRFOAOLSTI-RJQKVZOFSA-N	535.603	4.031	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	225739698	IHDIOLCMZZGHBA-NDEPHWFRSA-N	580.707	4.082	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261090225	TUWGBFZGBUJQGY-FIPFOOKPSA-N	610.733	4.233	5	40	KIBB	
COc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)c(OC)c1	408649518	LCHCBPWEJMRZJT-GOSISDBHSA-N	520.494	4.183	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)C2=O)o1	409403215	ZHIQYZJCMJJJJL-NVMNQCDNSA-N	586.351	4.417	5	40	KIBB	
CCOCCCn1/c(=N\C(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	101115185	QOPJWMDWYVWFBB-WMMMYUQOSA-N	543.407	4.300	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	103627666	LDVVWYMINSCLIF-KMBIYUNPSA-N	559.600	4.284	5	40	KIBB	
COc1ccc(OC)c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	106009595	ONRDBMKDVGMWLX-UHFFFAOYSA-N	549.989	4.416	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223431940	AQUQSXFXYGCGDF-QFIPXVFZSA-N	582.679	4.132	5	40	KIBB	
CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223922021	GHTPZYDXOBATGH-JOCHJYFZSA-N	573.499	4.391	5	40	KIBB	
CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225172665	OTFSJALQDUEEEZ-KRWDZBQOSA-N	506.606	4.044	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=C(C)C[C@H]4C3=O)cc2)c1	408646813	UQNFYKICKOJBAO-KAYWLYCHSA-N	597.580	4.404	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1	408691136	YKTIAKBCEWLVCD-WQPXKOACSA-N	597.624	4.392	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1	408784056	QXLFRJVSVMYPJG-XSZPGNIMSA-N	561.641	4.347	5	40	KIBB	
CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409136220	XVORYUWVCLRXCP-BSIFCXSSSA-N	502.641	4.120	5	40	KIBB	
CCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409311750	HTOSUOCVVDOVQK-UHFFFAOYSA-N	529.571	4.153	5	40	KIBB	
O=C(CCc1nnc2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl	1624497	KOFGADPCOVJNNA-APSNUPSMSA-N	524.773	4.138	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1N1CCN(Cc2ccccc2)CC1	100128489	PAZMINMTLTXNNI-UHFFFAOYSA-N	556.088	4.081	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])N(c4ccccc4)O[C@H]3C2=O)cc1	102759380	BJUJRUBMXKWMAE-ISJGIBHGSA-N	519.510	4.062	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223314332	GVEGFMFXVACHQG-KRWDZBQOSA-N	573.499	4.310	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223527105	NLBOBLJRROYIRW-FQEVSTJZSA-N	603.097	4.314	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225387404	RFQUTUBBMPVKHF-FGZHOGPDSA-N	582.679	4.131	5	40	KIBB	
O=C1[C@H]2[C@H](C(=O)N1c1ccccc1I)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21	409369193	HFHGPYCZPBWNJK-YQORSWRPSA-N	522.298	4.076	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)cc1C	4125093	MCINLSVUEVBPFO-UHFFFAOYSA-N	506.628	4.285	5	40	KIBB	
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	103060700	GOWNHPRMMOILHQ-UHFFFAOYSA-N	542.898	4.121	5	40	KIBB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1C	408651199	NGRMAYWIRLWBRA-NRFANRHFSA-N	516.506	4.210	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409141294	MXQZZPUTXARAKQ-JLPGSUDCSA-N	591.602	4.302	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12	97954533	RPTKCNLFCBXWBF-ZNSCEPEASA-N	528.952	4.263	5	40	KIBB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N1	103724916	WPEFWBNGSJTUME-JJEHFPDLSA-N	520.954	4.029	5	40	KIBB	
COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	105307945	PGXDMIWSLBJDMV-UHFFFAOYSA-N	531.598	4.373	5	40	KIBB	
CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	105316659	MNCNQELDSBEVBJ-UHFFFAOYSA-N	545.065	4.034	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224148697	SHXMOABJEFZYET-AREMUKBSSA-N	519.598	4.457	5	40	KIBB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409269559	CRAYKQDPHVHHNF-GRSHGNNSSA-N	534.930	4.118	5	40	KIBB	
COc1cc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC	9062405	SNOSFCPTXBXXRD-UHFFFAOYSA-N	519.470	4.175	5	40	KIBB	
O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1CNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1	12349976	OIXPGXIGMHUDCF-LJQANCHMSA-N	510.963	4.044	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1	101253090	OLGQGZQSNYLOIX-ZNZIZOMTSA-N	533.537	4.452	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccc(SC)cc1	409001220	VOAKTZPUGWYVRZ-HZHYMEEXSA-N	573.652	4.271	5	40	KIBB	
O=C(CN1C(=O)c2ccc(Br)cc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	409180776	VQPVTJGYJOPSOQ-QFIPXVFZSA-N	523.295	4.121	5	40	KIBB	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1I	409369194	HFHGPYCZPBWNJK-ZRDDSIGQSA-N	522.298	4.076	5	40	KIBB	
CCCCc1cc(=O)oc2c3c(cc(OCC(=O)N4C[C@@H]5C[C@H](C4)Cn4c5ccc([N+](=O)[O-])c4=O)c12)OC(C)(C)CC3	604404947	JYVSTBJECRWNBJ-QUCCMNQESA-N	577.634	4.334	5	40	KIBB	biogenic
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1	13113123	HSJZCMNZVROOSG-UHFFFAOYSA-N	524.599	4.269	5	40	KIBB	
COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O	408644373	STTADABIVHWCOB-CQSZACIVSA-N	535.896	4.016	5	40	KIBB	
COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	100285440	ZANUUMLVBNNNFW-KRWDZBQOSA-N	547.597	4.496	5	40	KIBB	
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Br)cc4)c(=N)n(CCc4ccccc4)c3nc12	101031710	FZBBMYFESKCYNP-UHFFFAOYSA-N	549.450	4.275	5	40	KIBB	
Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc([N+](=O)[O-])c(N5CCOCC5)c4)CC3)o2)cc1Cl	105303665	NSQAEMXXDATGHQ-UHFFFAOYSA-N	570.071	4.490	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260863387	BWDWEWRZVRWHMD-JOCHJYFZSA-N	614.696	4.436	5	40	KIBB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1	409024137	XFBPLJMBNFRTRB-ZVHZXABRSA-N	509.522	4.438	5	40	KIBB	
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	16194606	KPEYDKAJVOGBSJ-UHFFFAOYSA-N	503.795	4.401	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(OC)c(OC)c1	102921422	TWTAFHUCTOCPNV-GKPLWNPISA-N	530.581	4.089	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(c3ccc(Br)cc3)=NN(c3ccccc3)[C@H]2C1=O	103519836	RSNFWRSXIRZHGG-RBBKRZOGSA-N	521.327	4.148	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223347092	KFPDBLFIWXHZFL-SANMLTNESA-N	587.098	4.099	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224228556	MTAXNUIMQQDCAR-MHZLTWQESA-N	601.125	4.489	5	40	KIBB	
CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225087485	AZCBHZYUVDEWGN-RUZDIDTESA-N	558.701	4.234	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225576437	NLEHJJYXJKPNIC-PMERELPUSA-N	600.697	4.485	5	40	KIBB	
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)c(OC)c(OC)c2)cc1	408567734	HGTCWZODCJKMJI-SFHVURJKSA-N	509.382	4.474	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccco3)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732597	SFNOHMVUKZLXAA-XGLZOBASSA-N	589.626	4.386	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1	44873582	DBHADCAEHCSMSR-UHFFFAOYSA-N	522.627	4.092	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)cc2)cc1	59886462	SDMJXRNFMHUPRM-UHFFFAOYSA-N	596.643	4.238	5	40	KIBB	
COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1	102760779	HNVLDXYMDUHYGF-BHIFYINESA-N	524.327	4.417	5	40	KIBB	
COc1ccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	104708759	NJUKXEDLVIDMJY-UHFFFAOYSA-N	533.990	4.086	5	40	KIBB	
CC[C@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2	223120845	DBSVPJXVKCBCTG-QFIPXVFZSA-N	503.621	4.296	5	40	KIBB	
CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223439486	VMPYIAISMOAZER-DEOSSOPVSA-N	633.123	4.323	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224139622	NDUVSFCCOYBTFJ-MUUNZHRXSA-N	580.707	4.144	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224144683	BOWBKHQNPZJTDI-SANMLTNESA-N	552.653	4.042	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224244511	UJCQKIPGCPGBQE-MHZLTWQESA-N	596.706	4.359	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225085319	FOLDIHJGANQNCE-MHZLTWQESA-N	596.706	4.441	5	40	KIBB	
O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1	408652199	HLYIUIPNGUBKCI-URFUVCHWSA-N	522.344	4.127	5	40	KIBB	
CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21	409014670	NQOLXCNWUFBMTG-IAOUMNOZSA-N	603.653	4.382	5	40	KIBB	
CCOC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(=O)OC)=NN2c2ccc([N+](=O)[O-])cc2)S1	9076517	FVOVPFULFOMEKS-QFIPXVFZSA-N	500.558	4.294	5	40	KIBB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20079547	BVDADFDSMZHESJ-RUZDIDTESA-N	530.633	4.096	5	40	KIBB	
O=C(c1ccc2c(c1)OCCO2)c1ccccc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	32970852	IEBDUILTOXSXNI-UHFFFAOYSA-N	507.930	4.213	5	40	KIBB	
O=C(N[C@@H](Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1)C(=O)O)OCC1c2ccccc2-c2ccccc21	100449596	SADTWOVRWZDGHL-QHCPKHFHSA-N	543.492	4.223	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1ccccc1Br	101141378	NQJQNPHYPABQFG-FAJYDZGRSA-N	537.414	4.294	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224915898	DKNWRYXQFOVNQS-NDEPHWFRSA-N	596.706	4.378	5	40	KIBB	
CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1	408638896	UWQMBSHRPYDYKD-HXUWFJFHSA-N	532.505	4.343	5	40	KIBB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c1	409274319	VUIDPJBHNMGFEF-ASZNLBCTSA-N	590.702	4.340	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	97948477	OLGWKLJOGJNPQR-UHFFFAOYSA-N	573.650	4.183	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cccc(OC)c1OC	101176859	MFLRASWNVGIDHR-ZXPTYKNPSA-N	530.581	4.089	5	40	KIBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1	103059973	UCIKIMLSQKITDW-KRWDZBQOSA-N	549.911	4.180	5	40	KIBB	
COc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1	112231294	QSDFBNWWUWITHJ-UHFFFAOYSA-N	533.566	4.375	5	40	KIBB	
COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O	225435564	DKVPAWSVBLZESS-LOSJGSFVSA-N	564.649	4.338	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225576361	NXMQHXWMDXNCRN-PMERELPUSA-N	600.697	4.485	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408754728	HJJQLPUCWFFRKO-SCRHHBKZSA-N	713.506	4.171	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409275140	ZAEBBKBULKBJRC-YDZHTSKRSA-N	546.561	4.412	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1Cl	1767782	IIFUYKOBDWSSIM-GJFKPFFXSA-N	580.018	4.246	5	40	KIBB	
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	6089007	RRRZGRPHJZRUET-CJLVFECKSA-N	549.590	4.262	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(-c2ccc(Br)cc2)o1	105303657	MAVVCAOCDSAUGZ-UHFFFAOYSA-N	600.495	4.291	5	40	KIBB	
O=C(Nc1ccc(Cl)cc1)Nc1nnc2[nH]c(=O)c(C(C(=O)c3cccc([N+](=O)[O-])c3Cl)c3nn4c(NC(=O)Nc5ccc(Cl)cc5)nnc4[nH]c3=O)nn12	169712916	DORYXXNUCAEGLS-UHFFFAOYSA-N	806.931	4.110	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260942287	ISYFUPLIVHSTJR-GOTSBHOMSA-N	566.680	4.431	5	40	KIBB	
O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnc(N2CCc3ccccc3C2)nc1Cc1cccc(Cl)c1	585265843	VTSWQGBFULSPIJ-UHFFFAOYSA-N	564.023	4.310	5	40	KIBB	
COc1ccc(Cn2c(SCc3cccc([N+](=O)[O-])c3)nc3ccc(N4CCOCC4)cc3c2=O)cc1	2976124	LLFXVEVBPZOMDK-UHFFFAOYSA-N	518.595	4.491	5	40	KIBB	
CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222690500	ZJKHMGVPBJDIHW-MHZLTWQESA-N	601.125	4.427	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225322693	KEYBECIOIUZWQA-HXUWFJFHSA-N	589.498	4.010	5	40	KIBB	
Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2Cl)cccc1[N+](=O)[O-]	408626766	WTWFLOPIKUTWSP-UHFFFAOYSA-N	515.975	4.321	5	40	KIBB	
Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-]	408683809	NOYOSBWFQJMXLL-FMBFLHKZSA-N	567.598	4.302	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1ccccc1)C(C)C	409156086	RIXFWXUJVZFGPX-NRFANRHFSA-N	512.592	4.073	5	40	KIBB	
CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	8686853	WKZJKQLKIHQPAV-KRWDZBQOSA-N	511.556	4.450	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1	100368155	NDUQGSCLYLNHBE-YVLHZVERSA-N	538.401	4.117	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1	101176656	CMGSINVLTNJEJX-MDVFONAFSA-N	576.650	4.419	5	40	KIBB	
CC(C)C[C@H](C(=O)OCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br)N1C(=O)c2ccccc2C1=O	103078325	AMJACXMTZILATJ-QGZVFWFLSA-N	597.216	4.312	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222780006	XCSLDFDLYNSITC-HXUWFJFHSA-N	589.498	4.008	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222968420	YWYRRGCQVZOAAI-HSZRJFAPSA-N	596.706	4.441	5	40	KIBB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224712122	VHGDDKVTTKPHKE-HXUWFJFHSA-N	617.522	4.495	5	40	KIBB	
COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408566665	OIGLHQDAYDALLZ-GJECAEJISA-N	538.944	4.358	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1	408992685	AXCUNENMVDPQDM-GLSAMTQTSA-N	683.480	4.163	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409029850	BSXAERDRPQUMGN-MFUBYVTQSA-N	572.039	4.156	5	40	KIBB	
COc1ccc(S(=O)(=O)N2C[C@H]3c4ccccc4CCN3[C@@H]2c2cccc([N+](=O)[O-])c2)c2cccnc12	20494881	IDGBAVGWJSRDPC-HOFKKMOUSA-N	516.579	4.454	5	40	KIBB	
COc1ccc(C(=O)N2CCN(c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])CC2)cc1OC	101104048	BYOKNRTUDOTPIT-UHFFFAOYSA-N	548.640	4.273	5	40	KIBB	
O=C(NCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1	102892227	VJQBNDHGJGKFOS-UHFFFAOYSA-N	528.943	4.190	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c2=O)=N1	111466859	PYEUSFDBHSYVGY-UPWSPCOFSA-N	617.636	4.484	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	163635587	PEZXQPZONXSITA-FJNIOPPGSA-N	645.690	4.311	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225354220	RKKBEGSJVIZIDZ-FCHUYYIVSA-N	582.679	4.131	5	40	KIBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408567315	QWUSITZBKCBFET-RTFLAGNKSA-N	508.918	4.395	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408640659	BINWKAZBTHRQNB-CALCHBBNSA-N	502.310	4.093	5	40	KIBB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)c1	409097389	IHJGAJBSQYMWBN-PNZYDNNZSA-N	603.682	4.045	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409183894	UQVSGBVHDWDYFB-KYSILRCISA-N	637.306	4.246	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	408570108	ZAJMCDQICOYMOO-MOXRBOSHSA-N	503.530	4.468	5	40	KIBB	
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c(C)c1	408666197	PAKUGHPHMXANEE-GOSISDBHSA-N	513.506	4.279	5	40	KIBB	
COc1ccc([C@@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1OC	604405008	OFCPQOIQFHEHFT-AESPGFOFSA-N	572.662	4.452	5	40	KIBB	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)c2ccc(Cl)cc2)c1	3383999	NQRWAZFGTCXHNC-UHFFFAOYSA-N	513.359	4.089	5	40	KIBB	
CCOC(=O)c1cc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)ccc1Cl	22429794	MRBXJNLVKXZCQE-UHFFFAOYSA-N	517.947	4.259	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(Br)cc(Br)c3OC)CC2)c([N+](=O)[O-])c1	150492281	SMPAYDGNHVZMQH-UHFFFAOYSA-N	630.315	4.142	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408563984	BWNMILPUZFOCRH-DPQOWFAMSA-N	553.369	4.458	5	40	KIBB	
COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)CC3=O)cc2)cc1	408662640	XESOZWOBDABTPW-SFHVURJKSA-N	519.510	4.239	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409142138	REZIDMCFSZOILB-YOKWNPFVSA-N	616.490	4.185	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccncc1	409270574	HKMISBUOZARXLR-YDZHTSKRSA-N	505.508	4.497	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(F)cc1	409273837	LWDCQPZIPZTXNZ-OCEWKHMESA-N	564.639	4.082	5	40	KIBB	
COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)ccc12	2111875	HWEPWHCSZLPWBM-DEOSSOPVSA-N	509.580	4.480	5	40	KIBB	biogenic
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222687715	MUBJAIXZGXNFJT-OAQYLSRUSA-N	573.499	4.308	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732700	XPGWELSVODTLNF-DEOSSOPVSA-N	551.621	4.155	5	40	KIBB	
CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)cc([N+](=O)[O-])c4O)c(=O)n32)cc1	408925685	SGTSRHFBGQKMLL-BYHQVZLYSA-N	604.504	4.285	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OCc3cccc([N+](=O)[O-])c3)C2=O)o1	409399163	GCYKMFUHCWXCNQ-VXLYETTFSA-N	586.351	4.417	5	40	KIBB	
O=C1N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1ccc(F)cc1	17027885	UAMPHOPFRLQHBP-KCWPFWIISA-N	515.501	4.095	5	40	KIBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1	102548605	NVNKPUXJRAPYLI-QKDODKLFSA-N	571.567	4.414	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)sc2c1CCCC2	102917693	NRMQXNDENAVQLR-XPWALMASSA-N	533.562	4.373	5	40	KIBB	
COc1ccc(OS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)Oc4ccc(OC)cc4)cc2[N+](=O)[O-])C3=O)cc1	150495243	GCVFHVULSMBSNN-UHFFFAOYSA-N	642.576	4.267	5	40	KIBB	
COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)nc2c1	2652618	UBZWVECYTCPBJE-UHFFFAOYSA-N	532.531	4.415	5	40	KIBB	
COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1OC	12311818	TUQYURTUPQUXNO-UHFFFAOYSA-N	512.544	4.131	5	40	KIBB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1[N+](=O)[O-]	98046296	UFDVNUJOWXFEQR-BKUYFWCQSA-N	528.575	4.197	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)[C@H](CC)c1ccccc1	103628969	VNGULFUCAQKEHN-SMIQBFMMSA-N	510.550	4.088	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223787007	DHSPVDMJSUUSLM-HXUWFJFHSA-N	573.071	4.387	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224783510	SEFYFKWUTAWYSY-HXUWFJFHSA-N	573.071	4.387	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408647754	VMQXZLYFQUPGEA-QWQRAZBHSA-N	636.573	4.015	5	40	KIBB	
CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-]	408822796	MDRFSOJBUJWGKK-MTCPJELPSA-N	664.918	4.064	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1cc(Br)ccc1OC	409103444	YKMBRNILGRBSKX-VCDQAHEJSA-N	698.577	4.433	5	40	KIBB	
COc1cc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC	1438628	PGVCDSYPRKZUMD-OAQYLSRUSA-N	527.331	4.286	5	40	KIBB	
COC(=O)c1c(NC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)sc2c1CCCC2	12654510	WVPXKWXBWNXHEJ-UHFFFAOYSA-N	515.588	4.354	5	40	KIBB	
CCCN(C(=O)COC(=O)c1c2ccccc2cc2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	97982431	NMHHVVTWFWVOSL-UHFFFAOYSA-N	536.588	4.074	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1	224052062	IVAAESCJOTXEHO-QFIPXVFZSA-N	594.690	4.275	5	40	KIBB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O	409232920	CGUOUSUCWJHHTN-BUVRLJJBSA-N	500.511	4.268	5	40	KIBB	
Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	59331490	RWHZATTXWZSYMO-UHFFFAOYSA-N	519.583	4.119	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	98047119	CJGVUWPFGSXJBA-LKWZWFHSSA-N	613.677	4.239	5	40	KIBB	
Cn1nnnc1Sc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1[N+](=O)[O-]	103061528	BBFPFEXOLVURRA-UHFFFAOYSA-N	520.552	4.256	5	40	KIBB	
COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC	103085514	JANUMSITEDXLDF-UHFFFAOYSA-N	519.919	4.375	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCCCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	150400090	SLVQSTBJXHDYOW-UHFFFAOYSA-N	752.828	4.387	5	40	KIBB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1	260996393	OPKWGTIIQNBDLH-MUUNZHRXSA-N	578.691	4.060	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	261045275	LDIAUIMOOUMQDE-IDISGSTGSA-N	584.670	4.055	5	40	KIBB	
CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408690513	VQAIBBPDZNRNJE-BYVAMKTGSA-N	567.598	4.383	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C2=O)o1	409399537	JQVJUSUDHRIXMC-ODLFYWEKSA-N	511.874	4.300	5	40	KIBB	
COc1c(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc2ccccc2c1Br	105303696	WPJQRELTMDXSHW-UHFFFAOYSA-N	614.522	4.193	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)N1CCCC1	106739349	WNKCLWNIFHEWNL-HMAPJEAMSA-N	511.556	4.231	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	224919020	HZWMVRVPZBQYML-MHZLTWQESA-N	601.125	4.487	5	40	KIBB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225679732	CTQMYUNWTHMXNO-NRFANRHFSA-N	570.643	4.119	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Oc4ccc(C)cc4)cc3)C2)c1	408651898	BPPHJCDRQLBPMY-GOSISDBHSA-N	519.510	4.239	5	40	KIBB	
Cc1csc(Sc2ccc(C(=O)OCC(=O)N3c4ccccc4NC(=O)C3(C)C)cc2[N+](=O)[O-])n1	3362754	BEEJPMKPSGNZRL-UHFFFAOYSA-N	512.569	4.432	5	40	KIBB	
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O	97954930	XFVBHBUBBGWURV-ONTIZHBOSA-N	540.326	4.123	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	163652980	IDWGHJSGYZAVED-DQARITGZSA-N	646.634	4.424	5	40	KIBB	
CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223218750	YPCQHLLKDJWYGG-HSZRJFAPSA-N	621.087	4.453	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1	225115659	TYUGPTNCFQEXHK-LJAQVGFWSA-N	638.743	4.077	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260933442	HYKGLBWJSPIOAA-YADHBBJMSA-N	582.679	4.131	5	40	KIBB	
COc1ccc(Cl)cc1-c1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C(=O)O)n[nH]1	408632177	OKQWOOWIFPPXAI-UDWIEESQSA-N	530.994	4.012	5	40	KIBB	
CC(C)C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3	408729787	CWEMOFJRYCYGRR-JOCHJYFZSA-N	500.507	4.283	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409177985	KBCOPHLDEWEHLR-KEQCBNTKSA-N	604.597	4.192	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1	9271827	LSPPNXQHQXAJBH-RCOXAODPSA-N	509.518	4.185	5	40	KIBB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C/c2cccc([N+](=O)[O-])c2)CCC3)cc1	103083662	LEDJZAJLKPVEBK-XDJHFCHBSA-N	572.599	4.463	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1	104084311	RRKFVFKPJIOGIQ-UHFFFAOYSA-N	545.017	4.085	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1	105877882	RMOCAUBCCDKSRC-FQEVSTJZSA-N	558.686	4.478	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1	408569345	VRSHFCIBTAYRPY-MOXRBOSHSA-N	503.530	4.468	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OC	409274306	OTESVDOECMMOGW-RQZCQDPDSA-N	554.318	4.136	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	409332656	LIOAMSKPUDLXRK-ASZNLBCTSA-N	585.638	4.403	5	40	KIBB	
O=C(NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105306508	HBDQULRZMLICSO-UHFFFAOYSA-N	540.001	4.464	5	40	KIBB	
COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC	197745752	UTLDURCAXVRGTL-SUAMDDGLSA-N	525.586	4.244	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O)N1CCOCC1	214304140	XFXGGTNMOFMANT-YBFXNURJSA-N	537.472	4.301	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223615307	NJKYLGIPRQHPHI-VWLOTQADSA-N	607.516	4.444	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225681048	LYXPYUQRSOHGHB-KSFYIVLOSA-N	573.499	4.390	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC(C)(C)C	260909073	FNRQMALIJMKOSE-JOCHJYFZSA-N	566.680	4.431	5	40	KIBB	
COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n21	408944535	MTYWCVARBGLMRB-HUHAETNCSA-N	667.332	4.334	5	40	KIBB	
COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br	409334352	XFQCVPLOBFBDPG-ALCCZGGFSA-N	545.346	4.372	5	40	KIBB	
Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2-c2cccc(C(F)(F)F)c2)s1	11852252	UTPHDHMNJSULRZ-UHFFFAOYSA-N	592.585	4.323	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1	97947944	DTWFGFREYQVOBS-UHFFFAOYSA-N	546.580	4.385	5	40	KIBB	
CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222944330	LJCMDDFPCWNQOS-HSZRJFAPSA-N	603.097	4.314	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224747885	FMUDRZCHZAJZRK-QFIPXVFZSA-N	552.653	4.042	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225723721	GVMFIXQCQMQZSH-MHZLTWQESA-N	566.680	4.431	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	260999217	RKKBEGSJVIZIDZ-VXKWHMMOSA-N	582.679	4.131	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O	408671093	SUDIAZODFCPUSC-CSOSIKBCSA-N	519.554	4.096	5	40	KIBB	
COC(=O)c1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	409122272	ZXFIZOLJRXKFCS-UHFFFAOYSA-N	547.973	4.186	5	40	KIBB	
CCC(=O)Oc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)c([N+](=O)[O-])c1OC	8396453	ULOVAVLLLQGHMW-QHCPKHFHSA-N	525.543	4.327	5	40	KIBB	
CC[C@H](C)n1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3cccc(C)c3nc21	101037531	TTZYKKOPOJKHNI-AWEZNQCLSA-N	501.406	4.003	5	40	KIBB	
O=C(NC(=S)Nc1c(I)cc(I)cc1C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1	150341683	WTCQXFAXZQXQPB-UHFFFAOYSA-N	631.573	4.282	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	205809305	VNXRQLWCAMOCSL-HYARGMPZSA-N	511.556	4.231	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261090273	TYBNRMBQILFUKM-IDISGSTGSA-N	614.696	4.063	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409183878	VXBLYVLWGPHXJA-XXMKCSCWSA-N	513.575	4.168	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12	33656777	UAYKPOXLAOMKCT-CWBXHPNXSA-N	500.898	4.010	5	40	KIBB	
COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3ccccc3[N+](=O)[O-])n2)cc1OC	97995308	PPMOYQDMKWOWHT-UHFFFAOYSA-N	548.556	4.133	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1	101107268	FBTVUTLBIZVNCV-FSRJSHLRSA-N	530.625	4.209	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223993969	OXBOMQRFPNRGRW-MUAVYFROSA-N	610.733	4.233	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225552425	FLKQTTAORZPGEW-PMERELPUSA-N	600.697	4.485	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	261067037	OXBOMQRFPNRGRW-BTYSJIOQSA-N	610.733	4.233	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O	408545579	VFNLUICLEPZXKU-UHFFFAOYSA-N	513.616	4.476	5	40	KIBB	
COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@@H](c4ccc5c(c4)OCO5)[C@@H]3C2=O)c([N+](=O)[O-])c1	408731323	JSEBKHKQNWKVND-XROMWOPNSA-N	554.511	4.162	5	40	KIBB	
CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	408764477	IVDQFBPRHBGKEC-CIAFOILYSA-N	602.444	4.294	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409125192	MTZWFKLXVLFSIR-FYJGNVAPSA-N	606.451	4.230	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	409224605	KWLPJWNAIRKLCL-HMAPJEAMSA-N	554.558	4.290	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	409399426	INBIJPPNUWUKDE-NDENLUEZSA-N	521.482	4.045	5	40	KIBB	
Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(NN2C(=O)NC3(CCC(C)CC3)C2=O)c([N+](=O)[O-])c1	13129407	SDFQJJZTYWWXSN-UHFFFAOYSA-N	526.619	4.409	5	40	KIBB	
O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21	18213563	UHTBJYZILVMUJT-AFXVXQJMSA-N	500.898	4.010	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105318342	CXVYTGQFFVKMOY-UHFFFAOYSA-N	578.670	4.020	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222614940	MRKWPYPRQGWKQQ-AREMUKBSSA-N	570.643	4.261	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225174392	WMTXDUPVXGWWPK-OAQYLSRUSA-N	570.643	4.263	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225347996	XDKREIWHSFPFDV-OAQYLSRUSA-N	559.472	4.001	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC	408933652	BVURUOSPJBKQEI-TWIDMGDKSA-N	645.690	4.311	5	40	KIBB	
COc1cc(C2=N/C(=C\c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O2)ccc1OC(C)=O	409196270	YGXSGTMUJFVYRI-NDENLUEZSA-N	532.461	4.101	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225267797	KCPNSIIBNQLLGC-DLBZAZTESA-N	573.499	4.308	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21	229615878	LFDJABJOWZRAMW-KEZOAJOQSA-N	514.925	4.277	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260890084	CUTCUEFZMVSXQR-KKSFZXQISA-N	603.525	4.398	5	40	KIBB	
CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(I)cc2)n[nH]1	409156764	PACLRVVHDOZDAQ-SFHVURJKSA-N	580.408	4.175	5	40	KIBB	
O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1cccs1	2967698	ADMHYVXPWMIIGB-FQEVSTJZSA-N	505.581	4.255	5	40	KIBB	
CC1(C)[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@]1(C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	4109241	GKIYPLFGLXZJAC-FNZWTVRRSA-N	526.498	4.098	5	40	KIBB	
CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1	101202863	FQNHOCGMAWGFMS-GVAUOCQISA-N	503.511	4.226	5	40	KIBB	
CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1	102761441	FQNHOCGMAWGFMS-DSNGMDLFSA-N	503.511	4.226	5	40	KIBB	
COc1ccccc1N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O	103935677	RNFZWLJSTLRXID-NGSHPTGOSA-N	544.951	4.411	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	163670979	OPOASWSEWFEMQN-TZUCAZQYSA-N	645.690	4.311	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225173237	QTKGLSSVSIGFTJ-DEOSSOPVSA-N	565.092	4.271	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	408922249	YRDXACWDTOIRBA-UHFFFAOYSA-N	584.607	4.369	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1	409099685	SUHPTZYWWYUZJI-BLJGQIRFSA-N	635.749	4.384	5	40	KIBB	
COc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Cl	16226835	RBCXNTGHKIXITP-UHFFFAOYSA-N	502.902	4.113	5	40	KIBB	
O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	30756835	GSTHPLCIPINIRM-HAVVHWLPSA-N	501.524	4.365	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21	40399478	JNZUVUAARVJPAI-AWEZNQCLSA-N	503.302	4.101	5	40	KIBB	
CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)cc1	167678138	YORJJSNUMGERTE-MRXNPFEDSA-N	581.680	4.224	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	222966494	HOBBGAHDPDLTBL-HNNXBMFYSA-N	589.498	4.008	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408553380	YJNBYLCFFQDRBR-UDWIEESQSA-N	623.425	4.446	5	40	KIBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408637353	IXBKDCUXCJTHSE-MRXNPFEDSA-N	600.367	4.040	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	409223451	FWWQTDQQDYLCNU-FYJGNVAPSA-N	581.379	4.476	5	40	KIBB	
Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ccc2[N+](=O)[O-])n1	9720899	IZIACBDGYHHMBI-UHFFFAOYSA-N	510.403	4.215	5	40	KIBB	
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC	12532943	NVRQMTXVZCNNMD-HXUWFJFHSA-N	509.540	4.137	5	40	KIBB	
O=C(CNC(=O)c1ccccc1)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	12599607	ZYDRJRRWRYRYLG-NRFANRHFSA-N	512.316	4.010	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(O)c(OC)c4)[C@H]3C2=O)cc1	102759878	IKQUMOKDPCFEJQ-DSNGMDLFSA-N	519.510	4.149	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)sc(C)c1C	103545379	BEEMOXPCOZCOQX-LWSSLDFYSA-N	557.584	4.458	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccccc1OCC	103629422	NMSIMPRVMANWHC-MXNGAVTRSA-N	522.561	4.014	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1	105500652	NVOOKZVHGVMRJJ-DBXPASCUSA-N	555.612	4.286	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	106757370	CNNFBLSFHHFTIP-MOSHPQCFSA-N	512.544	4.230	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224789887	PBWCGKFVKKLKQB-AREMUKBSSA-N	519.598	4.455	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1)S(C)(=O)=O	224833005	XAYBARRKADPBJP-UHFFFAOYSA-N	533.990	4.032	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc([N+](=O)[O-])c1O	408828244	LIDGBFCPPBAXKV-AQIZGWBQSA-N	529.549	4.080	5	40	KIBB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	408917553	WZTTUTCXTJLJGO-VCHYOVAHSA-N	598.371	4.386	5	40	KIBB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O	409103176	XFHQGFMQEROECA-NNLQFVHNSA-N	568.345	4.376	5	40	KIBB	
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1	3262477	ALUSWJMJBAJVQB-UHFFFAOYSA-N	572.646	4.352	5	40	KIBB	
O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1CNc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1	12349971	OIXPGXIGMHUDCF-IBGZPJMESA-N	510.963	4.044	5	40	KIBB	
O=C(NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	57328305	CSWJMFXTKXHLEH-UHFFFAOYSA-N	502.556	4.203	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1	100064335	STYMIBAFAFNLLF-KMBIYUNPSA-N	586.582	4.407	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	102261233	HPWJIPXQBSFKNI-KEPJHFNWSA-N	615.664	4.303	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N\C(=O)c1ccccc1Br	102549274	XVHQUIIQJZGUEY-GDWJVWIDSA-N	581.467	4.453	5	40	KIBB	
CC(=O)Nc1cccc(Oc2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)cc2[N+](=O)[O-])c1	103006500	AMFKXZKRCRBLDF-UHFFFAOYSA-N	524.555	4.382	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112244027	YSECNAWFSZAGJS-UHFFFAOYSA-N	578.670	4.020	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@H](C)CCc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408629895	JVOXKJCCMVFYMS-HXUWFJFHSA-N	511.600	4.245	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1	409399851	NXZQMPCHOCKWHV-GRSHGNNSSA-N	586.351	4.417	5	40	KIBB	
COc1ccc(CCNC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1OC	8792368	CDPLGIZHFPKSBR-UHFFFAOYSA-N	507.546	4.347	5	40	KIBB	biogenic
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)sc(C)c1C	100766474	QAVGYZMLNOINKU-HBMCJLEFSA-N	507.524	4.111	5	40	KIBB	
O=C(OCC(=O)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1	102513225	JPUGPPNVVZBAHA-GQHLQYEBSA-N	566.522	4.165	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223619211	GBCJQKZAFHNZOK-RUZDIDTESA-N	637.542	4.452	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc4ccccc4[C@@H]32)cc1	248381836	VEJLLEOZYHEJOX-ROXDYWFKSA-N	507.502	4.196	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408734287	WIRDLGFICPMBPD-HJUDQDPUSA-N	573.583	4.004	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408943822	MFNMFFIGKSXTMZ-PLQXQRLBSA-N	596.017	4.247	5	40	KIBB	
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C1CCN(Cc2ccccc2)CC1	1877110	STHHMEFBLYHIME-MVSFAKPFSA-N	549.631	4.426	5	40	KIBB	biogenic
COc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1Cl	20610820	AJWZXOBJHROTCK-UHFFFAOYSA-N	508.922	4.080	5	40	KIBB	
O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	33354675	OOPQSCQXWJJULB-UHFFFAOYSA-N	526.370	4.033	5	40	KIBB	
CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)NC(=S)N1	97981660	MXHVPFQYPLKPTP-FQEVSTJZSA-N	527.653	4.007	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223988439	KRRBQDOXFQXUKZ-FQEVSTJZSA-N	633.123	4.323	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225707367	KGDPNHNAXWNBQO-KSFYIVLOSA-N	573.499	4.390	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260890737	LKKWUMBVZJTLLE-YADHBBJMSA-N	552.653	4.122	5	40	KIBB	
CN1C[C@H](c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408563466	AKZRGUMWQJDJCS-RZPHLTDDSA-N	553.369	4.458	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F	408570079	YPFXCJSPQKLVJQ-PBPLDAPSSA-N	503.530	4.468	5	40	KIBB	
COc1ccc(N(CC(=O)NC23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408628089	SYFGPSAAVARQNU-UHFFFAOYSA-N	513.616	4.192	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408642754	FDUDFGBIKYRHHD-JWQCQUIFSA-N	570.514	4.487	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](c5ccccc5)CC[C@H]4C3=O)c2)c1	408678561	BQYGDICNCSYNIM-FOVJLYNBSA-N	557.559	4.472	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408730456	RDAAPNSHCBJAEK-DKOMQPSQSA-N	640.468	4.443	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409207304	RSEVWYVFVBQHOF-ULJHMMPZSA-N	575.603	4.176	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccccc1Cl	9184897	HSHKYLIPFHTZLZ-BGABXYSRSA-N	522.989	4.036	5	40	KIBB	
O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	14274419	RLDPIARFZLYYOG-UHFFFAOYSA-N	503.993	4.335	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(C)c([N+](=O)[O-])c1	104350990	HBSBPMSYPXHVNL-QCWLDUFUSA-N	529.553	4.289	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225395646	XJANODMGWKSTAP-XZOQPEGZSA-N	626.732	4.448	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225616213	XEQLFFWQLXLFRT-QHCPKHFHSA-N	511.962	4.022	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225723785	VIAQZZSYQHGGBC-MHZLTWQESA-N	566.680	4.431	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4ccccc4C3=O)cc2)cc1	408640197	HONIAXCOQPNMKW-UHFFFAOYSA-N	599.577	4.207	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]21	408645159	HNANZYGALWUMMR-LZHZSBQWSA-N	516.337	4.339	5	40	KIBB	
N=c1c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl	101082952	ZYUBQQFTQYLAOD-UHFFFAOYSA-N	555.841	4.426	5	40	KIBB	
N=c1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl	101237064	IWEDLMWHHCSJAT-UHFFFAOYSA-N	504.377	4.414	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1OC	103890719	RIMILGZKTRPGBM-DXXVALNZSA-N	539.544	4.193	5	40	KIBB	
CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223832049	VZHNCZJGBXYQSH-QFIPXVFZSA-N	573.499	4.391	5	40	KIBB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(O)n4)c(=O)n32)c1	409094234	CKOAGSFBNRQHPS-ARLGEPFESA-N	633.708	4.059	5	40	KIBB	
Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccccc4Cl)n3N)n2)cc1[N+](=O)[O-]	409174183	SWOFPBRWKJIVTN-UHFFFAOYSA-N	501.981	4.383	5	40	KIBB	
COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)ccc2[N+](=O)[O-])CC1	9720323	ZCZULTVDZMJCEW-UHFFFAOYSA-N	519.577	4.032	5	40	KIBB	
COC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br	205697739	SDNFYORGXOOGGJ-RQZCQDPDSA-N	507.318	4.146	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408645400	SHYAMBYZGZBEDG-BQLROHOASA-N	540.359	4.195	5	40	KIBB	
O=C(CSc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)s1)Nc1cc([N+](=O)[O-])ccc1F	3226067	MNMDEMQOPJVMAH-UHFFFAOYSA-N	542.527	4.094	5	40	KIBB	
Cc1ccc(OCCNC(=O)c2cc(C(=O)NCCOc3ccc(C)c(C)c3)cc([N+](=O)[O-])c2)cc1C	12462262	NZKXVYIGYWUFED-UHFFFAOYSA-N	505.571	4.446	5	40	KIBB	
Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	19941340	BEJBZDUBVWYNCW-SANMLTNESA-N	528.617	4.148	5	40	KIBB	
COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OC)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1OC	104658528	VMSJPLVTGMEFIF-SZYVSPPHSA-N	585.638	4.261	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224819186	KGRHYKOCCOIGNN-HXUWFJFHSA-N	573.071	4.387	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)COc1ccc2ccccc2c1	11691062	GDOHQTFROOALLR-BLCKFSMSSA-N	524.577	4.141	5	40	KIBB	
CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCCO4	100329217	BZVKUMCRKFYBGA-UHFFFAOYSA-N	539.570	4.399	5	40	KIBB	
CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1	102899922	WFGUUJOZWABPIZ-UHFFFAOYSA-N	532.368	4.248	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccccc1	103862487	FXZPLNRHPJQREX-OBVMJLIASA-N	606.454	4.312	5	40	KIBB	
COc1ccc(OC)c(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)c1	408641273	CGTIHGLAGOASIT-SFHVURJKSA-N	520.494	4.183	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1	408846294	IGOGERBNFLXMCS-DBXPASCUSA-N	570.627	4.189	5	40	KIBB	
Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1C	20079865	DYDIGZMRYSNVPD-SANMLTNESA-N	528.617	4.066	5	40	KIBB	
CCC1(CC)C[C@@H](NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c2ccccc2O1	223485027	XCOXMAQNMSRTHZ-HXUWFJFHSA-N	519.620	4.348	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408563989	BWNMILPUZFOCRH-FMNCTDSISA-N	553.369	4.458	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1	408650107	ZLJZBEZHYNGMIC-UHFFFAOYSA-N	644.574	4.115	5	40	KIBB	
C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408657551	NBDCFNFRBWOHPJ-HMPFVNLWSA-N	579.392	4.302	5	40	KIBB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1	409156163	SORNCRUWHSGAGN-HAHDFKILSA-N	613.626	4.445	5	40	KIBB	
C[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	409354499	GOHPPSQAKKZLMF-NSHDSACASA-N	509.375	4.252	5	40	KIBB	
Cc1ccccc1-c1nc2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)c(=O)n2n1	2448159	PZMXFFLFBGINHT-HAHDFKILSA-N	506.547	4.435	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccc(C(F)(F)F)cc1	100823322	FWPDRCHQIDBSKU-AWSUPERCSA-N	536.466	4.227	5	40	KIBB	
CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]2c2ccccc2[N+](=O)[O-])cc1	101509101	NNAJDHNUKIQDHF-SANMLTNESA-N	537.569	4.362	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222783434	GOITUMZAKGNCLP-OAQYLSRUSA-N	573.499	4.308	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1	224836300	RENGHUVJFMSVJE-NDEPHWFRSA-N	580.707	4.142	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225265755	ZDNGAWZLWKLTQE-JKSUJKDBSA-N	589.498	4.008	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@H]1c1ccccc1Cl	409001974	RMESBCNVBXIFIH-OBXYEHHASA-N	518.378	4.013	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032307	CLDYFSMOXBGLGQ-JGAIACPSSA-N	661.689	4.225	5	40	KIBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl	409125746	ATABQSDGNJKYNW-UHFFFAOYSA-N	509.375	4.174	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408837211	ADMKETXBXXZSCH-MFCBUNOESA-N	589.626	4.292	5	40	KIBB	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br	409370651	CQVQTTPBSZVARW-ZRDDSIGQSA-N	520.295	4.142	5	40	KIBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc3c(c2)OCCOCCOCCOCCO3)c(C(F)(F)F)c1	4329316	UKVAAIIDTQAOHN-UHFFFAOYSA-N	517.413	4.086	5	40	KIBB	
O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)N1CCN(c2ccc(F)cc2)CC1	8792286	LJIKNSUSBLHIFL-UHFFFAOYSA-N	506.537	4.459	5	40	KIBB	biogenic
C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2	15981372	DADKSMVCYQSVNY-KSKOPSKJSA-N	510.056	4.370	5	40	KIBB	
COc1cc([C@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc(OC)c1OC	19816631	RWVMDZRHMSDMQD-OAHLLOKOSA-N	521.555	4.263	5	40	KIBB	
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22843180	XOFFFYHKHONCOC-UHFFFAOYSA-N	518.555	4.070	5	40	KIBB	
O=C1Nc2ccccc2/C1=C/c1nc2ccc(I)cc2c(=O)n1-c1cccc([N+](=O)[O-])c1	100146657	SDVRRXQDYPDQJS-ATVHPVEESA-N	536.285	4.391	5	40	KIBB	
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br	102884743	RJTYUCOHLBWUEK-FSSWDIPSSA-N	569.324	4.325	5	40	KIBB	
CCCCOc1ccc(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CC(C)C)cc1	103001480	UCUQGCXIOOZAET-ZXPTYKNPSA-N	516.598	4.402	5	40	KIBB	
C[C@@H]1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1	104200334	TUKROMYUXCQTMV-LXFAFOKJSA-N	595.473	4.154	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1	105498752	TUAOFRLZBVOVLU-MFCBUNOESA-N	616.608	4.416	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	214652698	KDBCVQUKKUQJHO-FYJGNVAPSA-N	653.451	4.072	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1	260939153	ROZQGHFFZBLYSV-SSEXGKCCSA-N	652.770	4.467	5	40	KIBB	
COC(=O)C(=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)OC	409041939	LDQYMVRKMPEAJS-UHFFFAOYSA-N	529.137	4.428	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	409085911	XHVKVXOSQPDXGU-ZYDFGXJWSA-N	616.490	4.185	5	40	KIBB	
CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)ccc1Cl	409155300	QLMMKGJNTHLQKW-GIJQJNRQSA-N	519.919	4.109	5	40	KIBB	
Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)n1	3288294	TVTMQDNZXBOLCD-UHFFFAOYSA-N	514.585	4.143	5	40	KIBB	
CCOC(=O)[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)[C@@H]2C1	97956269	ITSVQLVGGODNFB-ZZTIUOAXSA-N	526.933	4.062	5	40	KIBB	
COc1ccc(N(CCN2C(=O)c3cccc4cccc(c34)C2=O)C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1	97983914	WQFMQERSEDUVHZ-QHCPKHFHSA-N	642.690	4.487	5	40	KIBB	
CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1	105313877	MNHNCENACDEZCY-UHFFFAOYSA-N	588.694	4.447	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222871526	MPNBIUFHKRACML-NDEPHWFRSA-N	626.732	4.448	5	40	KIBB	
CC(C)(C)c1ccc(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	223529102	NNHWVYNUYKDLDB-UHFFFAOYSA-N	511.600	4.283	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224189235	CPQUZKAPLDXWIO-AREMUKBSSA-N	552.653	4.042	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225022379	UKACIOODPZCJBY-JOCHJYFZSA-N	612.705	4.059	5	40	KIBB	
CCOc1cc(Br)c([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OCC	408566712	OMERJHBUNPDAJZ-ASLXYRGWSA-N	516.392	4.301	5	40	KIBB	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	6003365	GVFHDMKMODEFLZ-JWQCQUIFSA-N	630.651	4.494	5	40	KIBB	
COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	9907854	VOZLLHSCHUIMEK-UHFFFAOYSA-N	522.945	4.250	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NC[C@H](O)c4ccccc4)cc3c3ccnc2c31	70708014	FENYOZUQTQYZHL-OSPHWJPCSA-N	537.572	4.226	5	40	KIBB	biogenic
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1	101177044	BVLLOENHBZHWPF-HSIFUINJSA-N	528.609	4.044	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	103790397	SWWVIUKJZQEFDO-VMOHIOPYSA-N	586.464	4.298	5	40	KIBB	
COC(=O)CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	106750765	QTKBESXGZZYMSS-MFOYZWKCSA-N	507.318	4.146	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(OC(=O)c2ccccc2)cc1	408650117	ZMMBZMYEFYFFMQ-XSAAJHIVSA-N	591.576	4.107	5	40	KIBB	
CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224914775	KBHNIRCHRQYSNR-AREMUKBSSA-N	587.098	4.179	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225077442	CEFGPVCKSORISN-SANMLTNESA-N	552.653	4.124	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(Cl)cc1Cl	408641641	CWUAGKONJOYMSZ-CALCHBBNSA-N	504.326	4.317	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cccs1	408726517	OEWPQGURYMPRCD-GVMLUORFSA-N	591.667	4.356	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)ccc1OC(C)=O	408789900	OKSSBJLFNKUQNX-JBDHCHCMSA-N	553.596	4.161	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OCC)cc1	408975496	LDINTQRLZHOHOI-SJJVXOANSA-N	559.600	4.365	5	40	KIBB	
COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OC(=O)c1ccc(C)cc1	409389768	RZGQONFWLDTPQZ-VMPITWQZSA-N	502.277	4.265	5	40	KIBB	
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1	23182076	ZDHXSNGJHGAXFO-UZUQRXQVSA-N	504.609	4.026	5	40	KIBB	
Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1C	100354397	PWFSGVGYGWNMDI-LJAQVGFWSA-N	564.650	4.194	5	40	KIBB	
CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(I)c1OCc1ccccc1	102560407	YDXZDXDERPJIQF-CMDGGOBGSA-N	535.294	4.136	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225436390	LKMDLBSSQGRYCI-BJKOFHAPSA-N	610.733	4.482	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	261029291	WZNHFEARZJGXHP-PKTZIBPZSA-N	566.680	4.165	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccccc1OC	409107861	RPYGGQPTSIJUAE-RGFRMHDHSA-N	602.669	4.289	5	40	KIBB	
COc1ccc(N(CC(=O)NCCCc2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	13674200	HAGVACANXPIAEK-UHFFFAOYSA-N	511.600	4.165	5	40	KIBB	
COc1ccc(N2C(=O)[C@H](CC(=O)Nc3cccc(Cl)c3)N(CCCn3nc(C)c([N+](=O)[O-])c3C)C2=S)cc1	97948449	GCXMOYZWRVMPIM-QFIPXVFZSA-N	571.059	4.491	5	40	KIBB	
O=C1Nc2ccccc2/C1=C\c1nc2ccc(I)cc2c(=O)n1-c1cccc([N+](=O)[O-])c1	100022283	SDVRRXQDYPDQJS-SFQUDFHCSA-N	536.285	4.391	5	40	KIBB	
COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc(C)c(NC(C)=O)c4C)CC3)ccc2[N+](=O)[O-])cc1OC	100283662	YVZWRQNSPIDVAI-UHFFFAOYSA-N	611.721	4.353	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	163730691	CROZLOUOYCLTBN-NYIUWGNGSA-N	624.469	4.336	5	40	KIBB	
COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@H](c4ccc5c(c4)OCO5)[C@@H]3C2=O)c([N+](=O)[O-])c1	408731319	JSEBKHKQNWKVND-ODOWTIOMSA-N	554.511	4.162	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1	409086137	FRHCXGNLVXAORE-OCEWKHMESA-N	617.709	4.437	5	40	KIBB	
O=C(Nc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	8397354	VXDADOMKEHTENX-UHFFFAOYSA-N	577.465	4.357	5	40	KIBB	
O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cc(I)ccc1Cl	100381490	CWNSERLVIIZHDK-UHFFFAOYSA-N	565.220	4.343	5	40	KIBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1	101126027	LJQNYGCQFZJHGA-ZLNRFVROSA-N	509.902	4.317	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	102767843	RJBSDGADCGPIIN-UBFVSLLYSA-N	503.511	4.280	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225320384	UOTUYLHEFVKDAR-OAQYLSRUSA-N	559.472	4.001	5	40	KIBB	
C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408657550	NBDCFNFRBWOHPJ-HLLLIGQESA-N	579.392	4.302	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)o1	409398295	CPVTWWLYLNLFDT-NVMNQCDNSA-N	589.344	4.392	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc5c(c4)OCO5)c([N+](=O)[O-])c3)C2=O)o1	409398589	DWEZNUGGKSFZIN-IDUWFGFVSA-N	600.334	4.138	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCc4cccnc4)cc3c3ccnc2c31	8792393	MBTSZQYHBBMEJP-MRXNPFEDSA-N	508.534	4.088	5	40	KIBB	biogenic
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	12624487	IHQNKKHDJHRLSX-JPYJTQIMSA-N	521.526	4.011	5	40	KIBB	
COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)CC2)c1	20411650	KWWDZDUWJFEUEA-UHFFFAOYSA-N	504.543	4.135	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733364	HLZTVIDCTPPTEB-VVNKCDPRSA-N	574.571	4.183	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408938345	HQCLZAWYPKTMDI-RWTNITNYSA-N	565.991	4.238	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	409011983	GXLDBJVYXXTPAY-NULZLWRNSA-N	633.679	4.389	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	409098863	MJYBIHMUUUYVHY-NKYAOSOXSA-N	616.696	4.191	5	40	KIBB	
CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C	409357928	KSDZKEIRICWCCU-UHFFFAOYSA-N	523.402	4.482	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c1	408657085	TZUSEMWIENKBCC-UIOOFZCWSA-N	585.569	4.238	5	40	KIBB	
O=C(CSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-]	409337921	ZNVSVYPGNYFTTP-BKOMJCAWSA-N	506.565	4.247	5	40	KIBB	
C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C	409355294	BXIJHFVYYYICDU-NSHDSACASA-N	509.375	4.252	5	40	KIBB	
Cc1cc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)ccc1[N+](=O)[O-]	1861585	DYNNXIVPLDNFKP-UHFFFAOYSA-N	509.613	4.054	5	40	KIBB	
O=C(OC[C@@H]1O[C@H](n2cnc3c(S)ncnc32)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	263602646	MOJHLYYJCLGEGP-AUPQMISCSA-N	731.612	4.045	5	40	KIBB	
O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Br)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408684757	NYTKZEONDFDBDZ-UHFFFAOYSA-N	525.271	4.119	5	40	KIBB	
Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)c1	409140767	IMRWDKOYUVUIND-HNNXBMFYSA-N	537.627	4.377	5	40	KIBB	
COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	409180928	ZEMIZRZZVQTFOV-UHFFFAOYSA-N	539.840	4.005	5	40	KIBB	
CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-]	409182872	PJWBRROEDSGGFC-ZQFKLAOWSA-N	533.334	4.423	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	100721572	FOPBUBPLXXMXES-FJWZAKCXSA-N	535.965	4.230	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)CCOc1ccc(Cl)cc1Cl	103629290	ZEGGXFYLJIWLNY-KRBABQNUSA-N	585.444	4.208	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	225023664	BIGIWUBJTVLXBX-SANMLTNESA-N	661.575	4.297	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	409196199	NVTMAUQSCYGNHE-SRZZPIQSSA-N	500.529	4.418	5	40	KIBB	
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O	409273756	SFFWDZDHOXXWMW-JAIQZWGSSA-N	516.963	4.068	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc([N+](=O)[O-])cc4)cc3Br)C2=O)o1	409399387	HRGFOEBATRZVLG-OCKHKDLRSA-N	586.351	4.417	5	40	KIBB	
O=C(c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	3143182	VHIWKJGQGNKORN-UHFFFAOYSA-N	562.450	4.335	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1	6545040	OSHLNEWTTMWVPE-FUFNRSNVSA-N	585.638	4.294	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccc(SC)cc1	8400039	NJYKFEZZSPHWIY-ZEZCTPEWSA-N	655.802	4.318	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCOc4ccccc4C)c3)CC2)cc1	8817585	PTJNCHODSWUVCM-UHFFFAOYSA-N	510.616	4.213	5	40	KIBB	
Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1-c1nc2ncccc2o1	22843186	QNVOIUFYCZUEER-UHFFFAOYSA-N	518.555	4.070	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)cc1	59884173	WOGZCIWWMNHKCU-UHFFFAOYSA-N	596.643	4.238	5	40	KIBB	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc(I)cc1	105650586	KCJNQNHRIFONKF-CAZKKTPXSA-N	522.298	4.076	5	40	KIBB	
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	225405542	CBQXRSXWHZFMKN-DNQXCXABSA-N	534.623	4.329	5	40	KIBB	
CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409198636	CMICPPJGFHLWEN-MTJSOVHGSA-N	543.554	4.001	5	40	KIBB	
CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	12568216	IWOLWTBDGNXIMD-QHCPKHFHSA-N	501.568	4.251	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	98047120	CJGVUWPFGSXJBA-KLKBWYFJSA-N	613.677	4.239	5	40	KIBB	
CCOCCCn1/c(=N/C(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	102920823	AVJLHGZFSLXIAC-RIHQVDFKSA-N	606.676	4.190	5	40	KIBB	
COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1	104141109	MQWAIZJUSZVKJB-QEGGNFSNSA-N	525.517	4.010	5	40	KIBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409216675	NUJFGNRFCNLNJU-SRZZPIQSSA-N	646.369	4.458	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O	409382064	KXKIPCVTSKWYEA-RTWAWAEBSA-N	577.329	4.385	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc5c(c4)OCO5)c([N+](=O)[O-])c3)C2=O)o1	409399959	MIEGUINKDJYVSD-IDUWFGFVSA-N	555.883	4.028	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccc(OCC)cc1	100820969	OXGBWUNZPJVVRF-MXNGAVTRSA-N	522.561	4.014	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	103629246	VNMWJISJWWWJGJ-GHGVRWFUSA-N	585.444	4.207	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	223172108	STEPNCQUBXUCQM-IBGZPJMESA-N	523.611	4.473	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@H]2C[C@H](C)CC[C@H]2C1=O	408671101	SUDIAZODFCPUSC-SPRUFDBQSA-N	519.554	4.096	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408826771	CXOHLKMAOUCRSB-ZSJKCPIUSA-N	593.589	4.123	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccccc1OC	409094443	FHUCLVSJGHEIIS-RGFRMHDHSA-N	602.669	4.289	5	40	KIBB	
CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc(I)cc2)n1C	409144442	OBZIWLPTODSNPU-IBGZPJMESA-N	594.435	4.186	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)o1	409403317	ZLURISRTOWYONX-NVMNQCDNSA-N	541.900	4.308	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2cccc(Br)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	59953593	DPWIQBWCBPAAKB-UHFFFAOYSA-N	550.387	4.209	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N\C(=O)c1cc(C)cc(C)c1	101158723	IUTRWPNLGPHTST-ZXPTYKNPSA-N	510.550	4.134	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225403767	KHSLIWPSUMUOGS-NDEPHWFRSA-N	626.732	4.449	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225527943	CEWPMKIGYMXSAA-PMERELPUSA-N	600.697	4.485	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408767404	XBXMEEKKYDDATM-ARLGEPFESA-N	666.506	4.329	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(SC)cc1	408993053	BRUHOYPGACTBLA-ZDZYTSRMSA-N	601.662	4.294	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224189294	CPQUZKAPLDXWIO-SANMLTNESA-N	552.653	4.042	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1	408851598	LNXRUGCFSZOFLB-HDFSHUSISA-N	663.730	4.261	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	408925099	JHSXMZQUXWPVSG-UHFFFAOYSA-N	584.607	4.369	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409181689	FAWQEFCRXAXKKL-QTTRZTASSA-N	601.637	4.452	5	40	KIBB	
CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1=O	409193063	AXLJGIBWTNRIJI-NDENLUEZSA-N	534.568	4.051	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F	409204118	BKECUSGVOVYZBB-MLPAPPSSSA-N	516.251	4.450	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccc(C)c([N+](=O)[O-])c5)C4)cc3C)C(=O)[C@@H]2C1	408673521	XEUFKXILMSIVDQ-YUXAGFNASA-N	517.538	4.016	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC	408789973	PFCMSBMTABZXRI-LXYLXTGBSA-N	570.583	4.152	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1OCC	408939284	IHOCSCPUPGFZTF-BDRSBEQYSA-N	615.664	4.303	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccccc1OCC	2409926	IKVOEYOXRCMVEC-QVAGMWBUSA-N	546.624	4.089	5	40	KIBB	
CCCC12CN(C(=O)c3cccc([N+](=O)[O-])c3)CC(CCC)(CN(C(=O)c3cccc([N+](=O)[O-])c3)C1)C2=O	9065150	DZKZZWJPIKLXEE-UHFFFAOYSA-N	522.558	4.257	5	40	KIBB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	59887127	PMNHIWLALLIJTN-UHFFFAOYSA-N	566.617	4.230	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NC[C@@H](O)c4ccccc4)cc3c3ccnc2c31	70708017	FENYOZUQTQYZHL-BXKMTCNYSA-N	537.572	4.226	5	40	KIBB	biogenic
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12	101129848	NHIBTDIOQHRSIK-NDBXHCKUSA-N	528.952	4.398	5	40	KIBB	
CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1	102775977	VVJATFFJOLALDY-XMMPIXPASA-N	528.612	4.205	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223940739	TWGZJDJTBMMPAR-HXUWFJFHSA-N	617.522	4.496	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C	408821443	HKPOMIGVHZGQJF-FQKMCRJQSA-N	589.626	4.459	5	40	KIBB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccccc1	409000784	FWOUPCSLOXQABI-DEOSSOPVSA-N	501.495	4.340	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2=O)o1	409406269	BFHWQVBNIIXSLJ-RKJRYWECSA-N	551.895	4.340	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	8400074	GAMUWOGQSKKRLM-LNXFQTKESA-N	657.543	4.086	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc(Cl)cc1Cl	103629229	VFAHMKORPZGPMH-YZTHAVIRSA-N	541.391	4.053	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224720820	WCBNOXYFYXWLOG-HSZRJFAPSA-N	596.706	4.359	5	40	KIBB	
CC[C@H](C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260764752	LZGGNNSTGZTPLF-VQTJNVASSA-N	519.620	4.347	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408653031	PNETWPYVEOYPPQ-FGZHOGPDSA-N	559.556	4.067	5	40	KIBB	
CCc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)cc1	408658400	JFJOHRWINBRENY-GOSISDBHSA-N	513.506	4.225	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	2148489	UMDHZCLMEYDAPI-YNMQQHPQSA-N	585.638	4.294	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)N1CCCC1	106727478	CCNPDSREHVIAAZ-HMAPJEAMSA-N	511.556	4.231	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccccc1CN1CCCCC1	224810573	WIZKYYYVOYNTIF-UHFFFAOYSA-N	522.627	4.092	5	40	KIBB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1	409103719	FFYNBWCDDLREQZ-UDWIEESQSA-N	517.454	4.135	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc(C(=O)O)c4)c([N+](=O)[O-])c3)C2=O)o1	409401859	UFIONVIVZVYBJN-NVMNQCDNSA-N	600.334	4.107	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2cc(OC)c(OC)c(OC)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	1884533	LBVKBKYYRDUANX-MXNGAVTRSA-N	562.623	4.091	5	40	KIBB	
COc1cc([C@@H]2c3cc4c(cc3[C@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	8652992	DLROLUIVVKTFPW-PVUOONDNSA-N	520.494	4.134	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	9907927	GEZQXAQZAAYZOW-UHFFFAOYSA-N	516.554	4.295	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)N(C)c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	10286315	OHHOPRLQBVBWFV-UHFFFAOYSA-N	503.964	4.424	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-]	224728836	DZXBJXMACNJUBS-INIZCTEOSA-N	534.407	4.221	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260740735	MSILQZSAFIFHLR-JOCHJYFZSA-N	582.679	4.049	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	261051234	MAAYIIVQUXHJPB-ZBLYBZFDSA-N	584.670	4.055	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c1	408657089	TZUSEMWIENKBCC-WMPKNSHKSA-N	585.569	4.238	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	409082234	ILWAGPXTWHKRKZ-XPCGLTFESA-N	668.469	4.101	5	40	KIBB	
Cc1cc(I)ccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C	409128960	SYHQDHWRKVWEBQ-FQEVSTJZSA-N	608.462	4.494	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409140449	FGNQJOCEHPQZEN-NRFANRHFSA-N	541.590	4.281	5	40	KIBB	
COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1ccccc1[N+](=O)[O-]	409183187	SLNMXNPSTSYCKR-UHFFFAOYSA-N	511.830	4.323	5	40	KIBB	
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cc2)s1	2699327	PGDUHZAHKSGMRN-UHFFFAOYSA-N	506.565	4.413	5	40	KIBB	
O=C1CN(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](c2ccccc2)c2cc(Br)ccc2N1	11617089	YXVBVJAFHVWJFZ-NRFANRHFSA-N	511.288	4.449	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)COc1ccc(Cl)cc1	103628870	FHDDZIWBCNGAIT-ZXPTYKNPSA-N	535.000	4.491	5	40	KIBB	
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	105315549	ZNMMIIIJVCNQER-UHFFFAOYSA-N	536.643	4.495	5	40	KIBB	
COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1Cl	108051875	FCYJVAIDWYHYDG-UHFFFAOYSA-N	518.039	4.084	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224572192	OYOLVWHECKKRAB-MHZLTWQESA-N	612.705	4.059	5	40	KIBB	
Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408670573	SQESOJOMGGJBIG-SFHVURJKSA-N	513.506	4.279	5	40	KIBB	
COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@@H](c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1	408730459	GNTOJLZNLPISDC-XSGUUIGASA-N	510.502	4.434	5	40	KIBB	
COC(=O)c1cc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl	409323808	QWCZFCZVFQQIOV-UHFFFAOYSA-N	547.973	4.186	5	40	KIBB	
Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5ccc(C(F)(F)F)cc5[N+](=O)[O-])CC4)sc3nc12	96347317	BEWHFKGGDQDODV-UHFFFAOYSA-N	517.489	4.107	5	40	KIBB	
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	97954175	FYPNFKXDECGYAK-FKBYEOEOSA-N	540.326	4.123	5	40	KIBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12	103546392	NHIBTDIOQHRSIK-NGSHPTGOSA-N	528.952	4.398	5	40	KIBB	
O=C(N[C@H](N[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	104126029	VGTRTFZLYLYUJM-UIOOFZCWSA-N	615.515	4.466	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	105303721	VOOQDUBGKCXINM-UHFFFAOYSA-N	581.699	4.321	5	40	KIBB	
Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nn2c(C)nnc2s1	105308129	LKZHGCVOXLOVNS-UHFFFAOYSA-N	522.616	4.105	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-]	205874021	KIMRASOOTIXCNC-HYARGMPZSA-N	511.556	4.231	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223310872	PVGRTPAVFXACOG-MRXNPFEDSA-N	589.498	4.010	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223314276	GVEGFMFXVACHQG-QGZVFWFLSA-N	573.499	4.310	5	40	KIBB	
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	1317238	JDEKMCAUEFMCIR-VABKMULXSA-N	554.353	4.426	5	40	KIBB	
Cc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1C	20079862	DYDIGZMRYSNVPD-AREMUKBSSA-N	528.617	4.066	5	40	KIBB	
CCCn1/c(=N\C(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	101176391	HTOXUBSXECAINX-MXNGAVTRSA-N	562.623	4.173	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223443914	MFFBWKAIIHOOLE-QHCPKHFHSA-N	626.732	4.449	5	40	KIBB	
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1	21579993	IMCAJMSGBUNRQK-UHFFFAOYSA-N	524.961	4.237	5	40	KIBB	
CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12	64097930	LHMBYHDQQLQZIV-JDZJWIEASA-N	522.561	4.172	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N\C(=O)c1ccccc1Cl	101150513	HSHKYLIPFHTZLZ-KRUMMXJUSA-N	522.989	4.036	5	40	KIBB	
O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105306454	FUYCSXPGIYSXNX-UHFFFAOYSA-N	553.604	4.445	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1	223011275	XFSTVGSUCFEHEL-LJAQVGFWSA-N	610.733	4.090	5	40	KIBB	
Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	408733077	VRXCNVPJOSKLPM-LBHSSTRISA-N	538.512	4.462	5	40	KIBB	
O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1	408942202	YDBXXZDHYUCKAQ-UHFFFAOYSA-N	504.362	4.187	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1NCCc1ccccc1	8385441	KIFXYJRKPBIMMT-UHFFFAOYSA-N	501.008	4.414	5	40	KIBB	
CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccc([N+](=O)[O-])cc4)n32)C1	20357907	HRRWJBNPNWEUFG-UHFFFAOYSA-N	504.597	4.283	5	40	KIBB	
CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1[N+](=O)[O-]	32752697	ZUXVBBHMGOISBW-XMMPIXPASA-N	501.518	4.284	5	40	KIBB	
CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3[nH]c4ccc([N+](=O)[O-])cc4c(=O)c23)c2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12	95546174	LNERTESFKPZEMY-UHFFFAOYSA-N	849.950	4.311	5	40	KIBB	
Cc1c(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100348895	OTYGNMASNVGLTP-UHFFFAOYSA-N	512.343	4.066	5	40	KIBB	
CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	101673366	OBCHPPWWIMNPNJ-XPNTWCBSSA-N	599.350	4.421	5	40	KIBB	
COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-]	104085935	BSRRSUVGTUGEGO-UHFFFAOYSA-N	545.017	4.328	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1	111466851	BQSNMEGQCUMAOC-ZJTZAHLKSA-N	617.636	4.484	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1	223066729	CULBSRUEDFMNJR-NRFANRHFSA-N	582.679	4.131	5	40	KIBB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223475932	OUWWATUGCLKHNV-HXUWFJFHSA-N	603.525	4.398	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409101621	PWYOGYYLGUDFJP-NULZLWRNSA-N	632.695	4.298	5	40	KIBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	9891949	VUDBHZOKZNRRHS-LPYMAVHISA-N	516.510	4.022	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1N1CCN(c2ccccc2)CC1	100167889	MBMXIPJBLSDDFK-UHFFFAOYSA-N	542.061	4.086	5	40	KIBB	
Cc1cccc(NS(=O)(=O)c2ccc(N3C(=O)c4cccc5c(NCCO)c([N+](=O)[O-])cc(c45)C3=O)cc2)c1	101148901	GNXJLWOKHRBTLH-UHFFFAOYSA-N	546.561	4.062	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)Nc1ccc(Cl)cc1)N1C=Cc3ccccc3[C@@H]21	248120371	DQHRRIALCJSXKU-FQUZAXHOSA-N	544.951	4.411	5	40	KIBB	
C[C@]1(O)CC(=O)[C@H](C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OCc1ccccc1	253562755	DQRIUOCJJJQXIQ-KGWIZABPSA-N	517.534	4.121	5	40	KIBB	
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl	408608475	WOEJAWUMSNFQIF-XVNBXDOJSA-N	507.286	4.299	5	40	KIBB	
CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408690514	VQAIBBPDZNRNJE-PHSLVXOISA-N	567.598	4.383	5	40	KIBB	
CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	409313015	AOUKCEXWPWWTQS-UHFFFAOYSA-N	529.571	4.153	5	40	KIBB	
C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12	9860270	JEVUGXBXHKECDP-NHCUHLMSSA-N	510.646	4.294	5	40	KIBB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1C	20009932	DXIJJOCAGIKONF-LJQANCHMSA-N	503.964	4.094	5	40	KIBB	
COc1ccc(CCn2c(=N)c(S(=O)(=O)c3ccc(Cl)cc3)cc3c(=O)n4cccc(C)c4nc32)cc1	101124086	PUZTZBCGWAKGRM-UHFFFAOYSA-N	535.025	4.175	5	40	KIBB	
Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nn12	105315485	BZBIWUHEODRAKS-UHFFFAOYSA-N	522.616	4.187	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223401424	MJGSKOFHYUNPQG-DEOSSOPVSA-N	525.989	4.412	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224318613	PKHVGXYFVUDOPI-VWLOTQADSA-N	573.071	4.387	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224371306	NJAUZXQUNYHCSO-SANMLTNESA-N	600.669	4.190	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	261009323	TZTYPMHLZVUAQV-AOMKIAJQSA-N	573.499	4.390	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	261010281	SJFLQOROWNAUMO-HHHXNRCGSA-N	598.697	4.363	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c2=O)=N[C@@H]1c1cccc([N+](=O)[O-])c1	408729624	CUKBSABMQOLOEH-PRLWALMFSA-N	585.638	4.403	5	40	KIBB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-]	103070748	GOVAIZTYWPOTLG-UHFFFAOYSA-N	550.804	4.138	5	40	KIBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NC1CCCCC1	143533744	RMPQTYWBHXSHCR-UHFFFAOYSA-N	536.610	4.491	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	409107707	QDAGLVPQIIXYRC-YOWYGEOISA-N	641.750	4.010	5	40	KIBB	
COc1ccc(C2=NN(C(=O)c3cc([N+](=O)[O-])c(N4CCOCC4)c([N+](=O)[O-])c3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1	8440032	OTSUCUUNRFPKCN-HSZRJFAPSA-N	576.522	4.248	5	40	KIBB	
CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1	9009343	MBXNEMJQEOEWPR-JOCHJYFZSA-N	500.558	4.294	5	40	KIBB	
N=c1c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1	9463709	MKUXPBLKQXMSMQ-UHFFFAOYSA-N	513.417	4.229	5	40	KIBB	
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-]	102928019	KBHSBFHVDZWEDY-UHFFFAOYSA-N	548.371	4.262	5	40	KIBB	
O=C(N[C@H](N[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	104126019	VGTRTFZLYLYUJM-WMPKNSHKSA-N	615.515	4.466	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1	260876874	BPVGNLHRXHWXDA-JOCHJYFZSA-N	566.680	4.431	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc(O)c(OC)c1	408730863	JQQSBUIWVDWWLM-QUNTYYFUSA-N	631.663	4.117	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	408842046	NNCPIDMWTZOQJX-PNZYDNNZSA-N	563.563	4.114	5	40	KIBB	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl	3037101	OXYUSYVDYMFJAQ-ZDUSSCGKSA-N	515.579	4.397	5	40	KIBB	
Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	6193753	JLFPSWFZXNZNCU-HHHXNRCGSA-N	542.644	4.456	5	40	KIBB	
O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59331952	MKFPSXQCHDWDTN-UHFFFAOYSA-N	519.577	4.145	5	40	KIBB	
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	101671826	PMOFEUADORFXTM-ONTIZHBOSA-N	585.323	4.031	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12	103534919	QILMXKJVQQGJMN-CCXYNAMNSA-N	528.952	4.263	5	40	KIBB	
O=C(NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105311224	IEPCWIUKAPUPAN-UHFFFAOYSA-N	538.973	4.415	5	40	KIBB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	109746757	NMBULWTXKXDSPX-UHFFFAOYSA-N	553.571	4.495	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225602651	OZXFXIOJKQFUIV-XMSQKQJNSA-N	553.081	4.045	5	40	KIBB	
CC[C@H](C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260941169	RGKIXIWUUJVAER-DYESRHJHSA-N	521.636	4.466	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	261075746	QNRATKCZWJXJPO-RTWAWAEBSA-N	570.643	4.261	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409045158	HVTTWWYOQNETAR-LAUBZIAYSA-N	620.728	4.493	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409194358	KJSAVTNRDSCHHX-YUMHPJSZSA-N	647.666	4.133	5	40	KIBB	
COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	12587072	INMDMIGLMBBMKR-MRXNPFEDSA-N	515.975	4.430	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccccc1Br	102549284	XWZKHMQZTUGDPN-KRUMMXJUSA-N	561.392	4.279	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	248378182	IUTWYLKQEPPCIC-BKKFENPESA-N	507.502	4.196	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1	409025311	PNELZRPJAHCTMI-UHFFFAOYSA-N	536.610	4.491	5	40	KIBB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O	409220867	HDDNEEBNUNFVIX-HYARGMPZSA-N	500.511	4.268	5	40	KIBB	
C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	409362886	SIVDIWBUEGNODN-LLVKDONJSA-N	509.375	4.252	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl	3425084	VUQAUSCTVNHCAY-CQSZACIVSA-N	591.982	4.013	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	6227729	ZLAFFWHMZKTOCM-WLPTYJMBSA-N	594.001	4.349	5	40	KIBB	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1	32109596	RYSJEMAYTCORKJ-UHFFFAOYSA-N	504.362	4.187	5	40	KIBB	
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	103090886	TWHYOALGYIXNQG-CQSZACIVSA-N	561.956	4.004	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1)c1cccc([N+](=O)[O-])c1	150483787	KGUFEGHMWUMROC-HHHXNRCGSA-N	632.720	4.102	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)cc1	408641121	JSWIDJVDJDALIZ-UIFDUCBYSA-N	619.652	4.332	5	40	KIBB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)c2=O)=N1	408928189	XAPSDJJNPCUHQZ-JZVSFUAJSA-N	592.855	4.217	5	40	KIBB	
COc1cc(/C=C2\N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409195563	WMEZSMKVQFJJGC-ODLFYWEKSA-N	534.477	4.193	5	40	KIBB	
COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1	409336117	SHJXJLGBPJONAM-ULBKPHCJSA-N	540.528	4.442	5	40	KIBB	
COc1ccc(CC(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1OC	33356087	SVBFQOHTKZNPDS-UHFFFAOYSA-N	537.550	4.087	5	40	KIBB	
COc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl	105315019	LIGUBIXRGOPUHH-UHFFFAOYSA-N	570.027	4.473	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225169196	HSYNLKGJNONDCF-HHHXNRCGSA-N	566.680	4.432	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1	408646286	IOFTTZLXCGYYDZ-IRXDYDNUSA-N	504.326	4.317	5	40	KIBB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1Cl	408687545	UPDLALJKJZBSDA-SPDQCEQOSA-N	516.337	4.173	5	40	KIBB	
CCOC(=O)c1cc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)ccc1Cl	409373581	XMPAAGMQWRTFFA-XDJZYPBNSA-N	502.910	4.302	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	6489366	DFHKMRJSKCCEMB-XQNWCSQWSA-N	585.638	4.294	5	40	KIBB	
COC(=O)c1ccc(COC(=O)c2cc(-c3ccc(/C=C/c4nc(O)c([N+](=O)[O-])c(=O)[nH]4)o3)ccc2Cl)o1	100170240	CJLSBWGOUGZWJR-WEVVVXLNSA-N	541.856	4.204	5	40	KIBB	
COc1ccc(CCn2c(=N)c(C(=O)N[C@@H](C)c3ccccc3)cc3c(=O)n4cccc(C)c4nc32)cc1	101164200	VVFAGIGSVKHCBD-FQEVSTJZSA-N	507.594	4.179	5	40	KIBB	
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	101226569	UFSNNNOBEIVFME-DPLHUUCSSA-N	539.928	4.325	5	40	KIBB	
COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)CC2)c1	104146624	AJTJNOSBZFDBPP-UHFFFAOYSA-N	559.623	4.427	5	40	KIBB	
CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224619233	DKWRKXUIBKZNSE-HXUWFJFHSA-N	573.071	4.385	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224991588	PDVAFKSIMRBTDU-JOCHJYFZSA-N	612.705	4.059	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1	225786583	WXVGYNMUWXDGIR-UHFFFAOYSA-N	505.961	4.482	5	40	KIBB	
CC1=C(C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)O[C@H]2CCC[N@+](C)(Cc3ccccc3)C2)=C(C)N1	263583896	DGVVISBYHUXFIU-VUYJIWGASA-O	506.579	4.267	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)cc2)c1	408639571	FYZXTVSHHAASAI-NPTXDTCSSA-N	621.602	4.116	5	40	KIBB	
O=C(CSCc1cccc([N+](=O)[O-])c1)NCCCCCCNC(=O)CSCc1cccc([N+](=O)[O-])c1	408723874	XLMWSGCQESOXRB-UHFFFAOYSA-N	534.660	4.462	5	40	KIBB	
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O	409044830	DOLVNPZFIOSDKA-VCHYOVAHSA-N	568.345	4.378	5	40	KIBB	
CC[C@@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)cc1[N+](=O)[O-]	409401985	USNCMLVYZUERBI-SHLUWWQESA-N	522.308	4.007	5	40	KIBB	
COc1cc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc(OC)c1OC	9062367	OIXJUBLRMHCUMH-UHFFFAOYSA-N	519.470	4.175	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1	10693504	JCPFZIXJNQUABU-UHFFFAOYSA-N	502.376	4.091	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	20452025	KMWNLVUBXJOUCQ-UHFFFAOYSA-N	519.963	4.408	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	102767841	RJBSDGADCGPIIN-DSNGMDLFSA-N	503.511	4.280	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222740276	SMSWDCGXBVZYGU-KRWDZBQOSA-N	579.462	4.260	5	40	KIBB	
CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223170893	AKDGATLDFAZGFH-RUZDIDTESA-N	603.097	4.314	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223191593	GSHDZKCHEDPFOY-CVEARBPZSA-N	522.396	4.077	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223993908	OXBOMQRFPNRGRW-RNWIMVQKSA-N	610.733	4.233	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225146050	ROWBYYCMTLMMPW-QHCPKHFHSA-N	595.118	4.279	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OCC	408739019	RMGNDBCAUGCHJB-GTWFGUSFSA-N	559.600	4.365	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409090241	LMSVKARZNYQYFU-XSZPGNIMSA-N	623.485	4.268	5	40	KIBB	
COc1c(C[C@@H](C)OC(C)=O)c2c3c(CC(C)(C)OC(C)=O)c(OC)c(=O)c4c(O)cc5c(c6c(cc(O)c(c1=O)c62)OCO5)c43	2048392525	GTFWYYPSJLXAFO-CYBMUJFWSA-N	632.618	4.431	5	40	KIBB	biogenic
CN(C)S(=O)(=O)N(Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)c1ccccc1F	9694862	XHPSCAOOCQCMQN-UHFFFAOYSA-N	506.943	4.453	5	40	KIBB	
CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1	13804764	FQNHOCGMAWGFMS-SDHOMARFSA-N	503.511	4.226	5	40	KIBB	
Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	97955866	MWEMXIOWGUMQQR-UHFFFAOYSA-N	532.576	4.003	5	40	KIBB	
Cc1c(-c2cc(C(F)(F)F)nc3sc4c(ncn5nc(CCn6nc([N+](=O)[O-])cc6C)nc45)c23)cnn1C	98046277	XXULZPAYVBDBNP-UHFFFAOYSA-N	542.507	4.271	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2ccccc2OCC)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	101140002	ILVGSIFVVZXEBK-ZXPTYKNPSA-N	516.598	4.464	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C(c1ccc(Br)cc1)=NN2c1ccccc1	103519832	RSNFWRSXIRZHGG-UNMCSNQZSA-N	521.327	4.148	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1	224272055	SYZKLXFAKIGJNC-MHZLTWQESA-N	580.707	4.224	5	40	KIBB	
COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1	225133544	BIKBSXITZCDKBC-AREMUKBSSA-N	535.597	4.156	5	40	KIBB	
COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)N2C=Cc4ccccc4[C@@H]32)cc1	248143081	QXBJMINUKGUESN-FQUZAXHOSA-N	544.951	4.411	5	40	KIBB	
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O	408668832	RDUIZMJRKGWSQT-HNNXBMFYSA-N	519.897	4.316	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(OC)c(Oc4ccc([N+](=O)[O-])cn4)cc3Br)C2=O)o1	409399776	MCYGSYNEOLUWNP-FRKPEAEDSA-N	573.312	4.026	5	40	KIBB	
O=C(COC(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1)c1ccc(Cl)c([N+](=O)[O-])c1	9348694	HCWCNLRPDNIHGX-UHFFFAOYSA-N	505.870	4.382	5	40	KIBB	
CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1	18127056	FQNHOCGMAWGFMS-SDHSZQHLSA-N	503.511	4.226	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1OC	97954396	YAFODCKYICSUMH-QYOOZWMWSA-N	525.517	4.010	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	101713420	XPWAHUYCRJGZSE-UCQKPKSFSA-N	530.537	4.412	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	106701333	GYODKMFXSDFHJU-QRVIBDJDSA-N	583.600	4.355	5	40	KIBB	
COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c([N+](=O)[O-])cc1OC	8400457	OVBIUAZIQPJAAL-STZFKDTASA-N	609.642	4.279	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1	16037913	PWIOCAWDPSREDL-POTDNYQPSA-N	509.518	4.310	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224435455	YNTMRCZQXPNGAK-QHCPKHFHSA-N	626.732	4.305	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1	409108660	YESQUFRZYLIDPL-FSFYKJEYSA-N	677.761	4.459	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409141677	JMARPKIXINXYEP-JOCHJYFZSA-N	526.619	4.381	5	40	KIBB	
COc1cc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC	1438627	PGVCDSYPRKZUMD-NRFANRHFSA-N	527.331	4.286	5	40	KIBB	
O=c1c2ccc3c(=O)n(CCCc4ccccc4)c(=O)c4ccc(c(=O)n1CCCc1ccccc1)c2c34	59484455	LVZROPPJJFTSDT-UHFFFAOYSA-N	502.570	4.331	5	40	KIBB	
COc1cccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1	103069948	HBROUEQVMCEYPS-UHFFFAOYSA-N	603.082	4.486	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc2c(c1)OCO2	163763994	UPBAKRQZLIWRSF-QHZSLAKNSA-N	630.591	4.136	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225709257	ZTVASWIXIBPFRD-IIBYNOLFSA-N	603.525	4.398	5	40	KIBB	
COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	408639600	GBIVCZPFJHDASM-UHFFFAOYSA-N	528.304	4.447	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408640109	AIQIWDGKSDYLJQ-DQEYMECFSA-N	553.527	4.005	5	40	KIBB	
O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59331578	ABARGQNGIAIZSM-UHFFFAOYSA-N	517.567	4.044	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)Nc4ccc5c(c4)OCO5)cc3c3ccnc2c31	70707913	FDMRBOHSRGLVEL-UHFFFAOYSA-N	523.501	4.355	5	40	KIBB	biogenic
CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CCCOC)CC1	103628573	DASNYFVLWUMDER-ZXPTYKNPSA-N	522.646	4.286	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@H]1c1ccccc1	107839572	IQNGEHHBGBMLPU-VZIOXZNFSA-N	535.965	4.230	5	40	KIBB	
C[C@@H]1C[C@@H](C)CN(C(=S)S[C@H]2CC(=O)N(c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)C2=O)C1	245239585	KQVRIDOKPGLXNC-QZMQVMSPSA-N	569.661	4.262	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	409160775	IYOGKMDKTBNLMV-LXYLXTGBSA-N	647.735	4.282	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)OC	409273176	ITTUPJYFVSYIOC-GRSHGNNSSA-N	534.930	4.118	5	40	KIBB	
CCCCOC(=O)c1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1	2068033	GVTJODQOWRNSJS-UHFFFAOYSA-N	530.489	4.392	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	6227479	UCXZMHDXGFWISP-FQKMCRJQSA-N	589.626	4.292	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)S(C)(=O)=O	408546175	RFJGVHIVGWRALO-UHFFFAOYSA-N	637.014	4.481	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1	408574458	QUYCFEHAADAIMI-UHFFFAOYSA-N	532.622	4.127	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(O)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1	408975660	BVJHVIJDMIBDTJ-VVNKCDPRSA-N	698.495	4.110	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccccc4)o3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1	409078953	FCMWJHAJWCWRAT-INJUALFYSA-N	547.614	4.451	5	40	KIBB	
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2	3225423	NJESESRAMMAMPI-UHFFFAOYSA-N	512.525	4.029	5	40	KIBB	
CN(C)CCCNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	100842090	ADUJMCAPLRGPBB-OOAXWGSJSA-N	538.608	4.286	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c2=O)=N1	104676757	NMQUEOLAXQMVGR-MFUBYVTQSA-N	580.619	4.224	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1	261029391	JDQWHPWKCWFKTR-HHHXNRCGSA-N	580.707	4.224	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O	103910638	YDJOMMZUXPHZHJ-VPBXCIAMSA-N	524.489	4.210	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	105990019	KDQRKIRJGGNYDL-FUPPJEDESA-N	554.353	4.118	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Cl)cc1Cl	408641643	CWUAGKONJOYMSZ-IAGOWNOFSA-N	504.326	4.317	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)cc2)c1	408690309	UWKZHFOIMJNPQX-UJERDWQOSA-N	569.570	4.328	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)cc4[N+](=O)[O-])c(=O)n32)cc1	408856396	IEKOSLKNAJDAJD-PRLWALMFSA-N	600.653	4.198	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409099109	SAUVVQQDAFWSAF-VCDQAHEJSA-N	654.126	4.324	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1	409356438	GMDADLARZHENGP-CQSZACIVSA-N	502.984	4.390	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1cccc(OC)c1	100305495	WINUTNOABIQUKC-GVMLUORFSA-N	559.600	4.284	5	40	KIBB	
Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(Br)cc3)cc3c(=O)n4ccccc4nc32)cc1	101074977	SCNSZTWMKPGRBS-UHFFFAOYSA-N	535.423	4.081	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	105990023	KDQRKIRJGGNYDL-MQSCRBSSSA-N	554.353	4.118	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCOc1ccc2ccccc2c1	223587039	IBDRZMYJTNCBAQ-UHFFFAOYSA-N	505.552	4.139	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224337079	PENYEVVTAAFAPJ-KRWDZBQOSA-N	573.499	4.166	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225352867	GOGXBNRXTZYGDW-NRFANRHFSA-N	573.499	4.310	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C	409159778	UMAWIVKPWXKKOJ-QFIPXVFZSA-N	526.619	4.381	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(F)c1	409399004	GWTXDYBEDRYIRH-GRSHGNNSSA-N	539.472	4.184	5	40	KIBB	
Cc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	8896279	GCRNRMQTWUFSAI-UHFFFAOYSA-N	511.633	4.036	5	40	KIBB	
Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)n1Cc1cccs1	12542422	NJZAFHSRBQOHEN-UHFFFAOYSA-N	503.602	4.169	5	40	KIBB	
O=C(N[C@@H]1CCCC[C@H]1Cc1ccco1)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	36277643	KHPQFBFIBZRUKQ-ANJVHQHFSA-N	517.538	4.018	5	40	KIBB	
Cc1cccc(NC(=O)Cc2nnc3c4sc5nc(N6CCOCC6)c6c(c5c4ncn23)CC(C)(C)OC6)c1	97952630	XMYLEPKYKGJYNK-UHFFFAOYSA-N	543.653	4.065	5	40	KIBB	
CN1C(=O)/C(=C\c2nc3ccc(I)cc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c2ccccc21	100864286	AAHFVWVJUITJOB-AQTBWJFISA-N	550.312	4.416	5	40	KIBB	
CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21	102356352	GGFWXKUTTGYDKP-CQSZACIVSA-N	533.328	4.192	5	40	KIBB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(OC)c([N+](=O)[O-])c3)S2)cc1	408785039	FMJXXPRJSUIRDJ-LZOLKVDOSA-N	511.341	4.370	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@H]1c1ccccc1OC(C)C	408942764	RJHIQRFROOOYSH-CSJROMOCSA-N	578.691	4.340	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1	409399852	NXZQMPCHOCKWHV-VXLYETTFSA-N	586.351	4.417	5	40	KIBB	
COc1ccc(CCNC(=O)COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1	70708295	ZOOGFLVUYMWNIP-UHFFFAOYSA-N	537.572	4.355	5	40	KIBB	biogenic
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NCc1cccnc1	100295724	AAUGRZWJNJUNQX-UHFFFAOYSA-N	522.414	4.420	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	102742116	LAWHJOWCNVZMAM-XPWALMASSA-N	509.902	4.317	5	40	KIBB	
O=C(NC(=S)Nc1ccc(I)cc1F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	105314558	HFQNSUYCXKJZQZ-UHFFFAOYSA-N	528.347	4.456	5	40	KIBB	
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc(C(=O)OC)c1C	108926603	XVIXGCFGVNDBHN-UHFFFAOYSA-N	517.541	4.315	5	40	KIBB	
COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)c1	223019647	YRCVOXKLGFCPEB-MHZLTWQESA-N	549.624	4.403	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223523092	VGSWJKVUNBXIJN-QHCPKHFHSA-N	566.680	4.166	5	40	KIBB	
COc1ccccc1OCCNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	224937976	SWELMTUHBSRVOX-UHFFFAOYSA-N	533.990	4.032	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225021006	DAHCPRGHGJQTJW-DHIUTWEWSA-N	566.680	4.431	5	40	KIBB	
COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)O)n[nH]1	408633279	XLOLOEMKTPHSOL-ODLFYWEKSA-N	517.951	4.096	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409276061	XYRRRDGMQVELPZ-UDWIEESQSA-N	512.544	4.086	5	40	KIBB	
O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccc2c(c1)OCO2	2967157	NJDHYWJYDNNYII-JOCHJYFZSA-N	557.588	4.312	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])[C@@H]2C1=O	9210678	QWUODKRCDPQNSH-GVAUOCQISA-N	519.510	4.062	5	40	KIBB	
CCCC(=O)c1ccc2c(c1)nc(Sc1ccc(S(=O)(=O)N3CCOCC3)cc1[N+](=O)[O-])n2CC	12641421	AKPDCWFZMHUDCX-UHFFFAOYSA-N	518.617	4.119	5	40	KIBB	
COc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(OC)c1OC	38139583	ZMCKNGVVNCLQFC-UHFFFAOYSA-N	529.571	4.002	5	40	KIBB	
COc1ccc(CCNC(=O)CCn2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1OC	98049436	YNKGVRHWWAXUDB-UHFFFAOYSA-N	548.621	4.363	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3[C@@H](c4ccc([N+](=O)[O-])cc4)N(c4ccccc4)O[C@H]3C2=O)sc2c1CCCC2	102863136	FIYGEGLBLLMZJD-YTFSRNRJSA-N	533.562	4.373	5	40	KIBB	
COc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2)c(C)cc1[N+](=O)[O-]	103102557	ORSNTBHNMAVPBH-PPHZAIPVSA-N	559.641	4.297	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c2=O)=N1	104676762	NMQUEOLAXQMVGR-RWTNITNYSA-N	580.619	4.224	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)cc4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	107854331	HCZCHQXKYFIFGS-AQIZGWBQSA-N	547.564	4.414	5	40	KIBB	
CN1C[C@H](c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408563463	AKZRGUMWQJDJCS-NIDLKEISSA-N	553.369	4.458	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408729760	CNACBHNQKXIROT-BUDNTJSZSA-N	631.663	4.117	5	40	KIBB	
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)OCc1ccccc1	408737024	KWDICUHURGIWFP-XMMPIXPASA-N	501.495	4.340	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1	408782345	FYASRJPIDXYBKT-DBXPASCUSA-N	651.744	4.196	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409272571	NANIPJWIVFTYHV-MOSHPQCFSA-N	512.544	4.086	5	40	KIBB	
O=C(c1ccc2c(=O)n(-c3cccc(F)c3)c(SCc3ccc([N+](=O)[O-])cc3)nc2c1)N1CCOCC1	33077957	XUDIIFVQHUEAIZ-UHFFFAOYSA-N	520.542	4.198	5	40	KIBB	
COc1cc(NC(=O)CSc2nnc3n(Cc4ccc(C)cc4)c(=O)c4ccccc4n23)c(C)cc1[N+](=O)[O-]	103132549	MKGMFLZJCMLRCT-UHFFFAOYSA-N	544.593	4.357	5	40	KIBB	
O=C(Nc1ccc(Br)cc1I)c1cc([N+](=O)[O-])ccc1N1CCOCC1	107685942	LAYOJIOCTDBDAO-UHFFFAOYSA-N	532.132	4.051	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408650302	MHGDNXSOCOWMAQ-GQHLQYEBSA-N	582.525	4.343	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N1	409034306	NMJQSEVLWVEQQP-FUFNRSNVSA-N	585.638	4.294	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409094177	CRAXQHRYZZRFQP-ZNQKWNQWSA-N	605.898	4.133	5	40	KIBB	
COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	9907855	LWTUPYPYTXNIAP-UHFFFAOYSA-N	522.945	4.250	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(OC)c(OC)c2OC)C1=O	102765603	ZYJAUJFJYYVXMJ-JCYRPKCISA-N	549.536	4.070	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	102973946	JDEKMCAUEFMCIR-XPWALMASSA-N	554.353	4.426	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224318483	WKUWAUSMYWBTLM-VWLOTQADSA-N	573.071	4.387	5	40	KIBB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(O)n4)c(=O)n32)c1	409094235	CKOAGSFBNRQHPS-SCRHHBKZSA-N	633.708	4.059	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1Cl	1767776	IIFUYKOBDWSSIM-LWUPDDLQSA-N	580.018	4.246	5	40	KIBB	
COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1OC	9892416	GAXPWNNUVUSQBY-IBGZPJMESA-N	526.615	4.296	5	40	KIBB	
CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	22269708	JMCARIDGMRXYDC-NRFANRHFSA-N	503.964	4.175	5	40	KIBB	
O=C(CNC(=O)c1ccc(Br)cc1)NCC(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1	100348242	OAFFLSSIZUOJHQ-UHFFFAOYSA-N	604.797	4.075	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	101249861	RJBSDGADCGPIIN-GVAUOCQISA-N	503.511	4.280	5	40	KIBB	
O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)C2=O)c1ccc([N+](=O)[O-])cc1	409183810	VBOPSNLFRIFPOE-UHFFFAOYSA-N	637.513	4.383	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc([N+](=O)[O-])o3)c2=O)=N1	58872208	SNXWWLDLWUIKEF-QFXXMJIKSA-N	509.584	4.203	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	97965320	JYWKOGHLXRAIGX-ZXSNDDASSA-N	582.457	4.251	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565265	JFDALJTYOGSJGL-FMNCTDSISA-N	508.918	4.349	5	40	KIBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408647036	JFFIEVLQPJJLEW-KRWDZBQOSA-N	505.439	4.074	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	408654002	QJJMUWCQKOSYFZ-ADCSMLMYSA-N	612.551	4.160	5	40	KIBB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1Cl	408687765	UZLUEQVESXQXBO-SPDQCEQOSA-N	516.337	4.173	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccccc3)C2=O)o1	409403221	ZHOFQUULRAMXJJ-ZDLGFXPLSA-N	556.325	4.409	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	20452027	MIGFEEQIJDCLDI-UHFFFAOYSA-N	519.963	4.408	5	40	KIBB	
C[C@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1	97945595	FBIUMNSNBDXFTQ-SFHVURJKSA-N	532.505	4.168	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1	100398600	WSKQVVGNMZFBIX-ZNUTWUMQSA-N	540.359	4.195	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O)N1CCCCC1	205912809	LMXWUUJJJWEDBT-UDWIEESQSA-N	512.500	4.344	5	40	KIBB	
CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)ccc1Cl	409151208	GVPAWSJYXLRUIE-GIJQJNRQSA-N	549.945	4.204	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc2c(c1)OCCO2	409196059	MVMTWPMNMDWMDN-CIAFOILYSA-N	507.480	4.301	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1	9360295	IKQUMOKDPCFEJQ-GVAUOCQISA-N	519.510	4.149	5	40	KIBB	
COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)cc1OC	13632991	ZFUPWBKZTIXEAN-UHFFFAOYSA-N	502.571	4.137	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224394700	AJSNLGRIGFMUKR-AREMUKBSSA-N	661.575	4.298	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	409085908	XHVKVXOSQPDXGU-QJWUKVPRSA-N	616.490	4.185	5	40	KIBB	
C=C(/N=c1/c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc2n1CCCOCC)c1cccc([N+](=O)[O-])c1	1860390	ZYUSAEDJHQDLRB-WCTVFOPTSA-N	531.569	4.041	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21	9111537	LFDJABJOWZRAMW-KIHHCIJBSA-N	514.925	4.277	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSCc1ccccc1Cl	20239089	CRYJPEFUUQHGOA-UHFFFAOYSA-N	520.032	4.493	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1	100721570	FOPBUBPLXXMXES-RQLGBQGVSA-N	535.965	4.230	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1	408644375	RASQOHCBWQYNDW-PKOBYXMFSA-N	516.337	4.483	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(Br)cc3)cc2)CC1=O	408663167	YFRVNCIWZAVKTM-GOSISDBHSA-N	597.374	4.364	5	40	KIBB	
Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cccc([N+](=O)[O-])c4)n3C)n2)cc1[N+](=O)[O-]	409148163	YGZHVRYGOKUPRB-UHFFFAOYSA-N	511.545	4.461	5	40	KIBB	
O=C(NC(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)(C(F)(F)F)C(F)(F)F)c1ccco1	1834587	HMGRJGLUNUTKOJ-UHFFFAOYSA-N	544.411	4.140	5	40	KIBB	
CCOC(=O)[C@@H](OC(=O)c1ccccc1)c1cc([C@H](OC(=O)c2ccccc2)C(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-]	4265509	UWIVUDMDGZKSQM-ZEQRLZLVSA-N	580.502	4.425	5	40	KIBB	biogenic
O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	14291001	YSJMPGIZFWJVJU-UHFFFAOYSA-N	505.600	4.471	5	40	KIBB	
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	101249857	RJBSDGADCGPIIN-SDHOMARFSA-N	503.511	4.280	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC	105497564	MDOBKHPPENXTMZ-MFCBUNOESA-N	616.608	4.416	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1	408843257	SFWLUOVMWYALDQ-IGSWSUAKSA-N	533.537	4.106	5	40	KIBB	
Cc1c(O[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)ccc2c1oc(=O)c1ccccc12	2134719	NAZMVBQYJSVGOX-CMJOXMDJSA-N	500.507	4.021	5	40	KIBB	biogenic
CC1(C)[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC[C@@]1(C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	4109243	GKIYPLFGLXZJAC-IBVKSMDESA-N	526.498	4.098	5	40	KIBB	
Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)c1	9369036	QVFGBJMGLGVZKA-UHFFFAOYSA-N	516.583	4.453	5	40	KIBB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224712059	VPFWJTRVIPCERE-FQEVSTJZSA-N	617.522	4.495	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260997950	RFQUTUBBMPVKHF-VXKWHMMOSA-N	582.679	4.131	5	40	KIBB	
C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408648478	WMGRFWOXMZEDMP-ZDUSSCGKSA-N	522.857	4.081	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(F)cc1	408774850	DEOZDNGIGJFYTI-NIQJEMAJSA-N	624.444	4.451	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409145600	OOVSFLAUURTFIH-LXYLXTGBSA-N	647.735	4.282	5	40	KIBB	
O=C(Cn1c(=O)c2nnc(-c3ccccc3)n2c2cc([N+](=O)[O-])ccc21)c1ccc(Br)cc1	688107	GFWRRULYPYFGFN-UHFFFAOYSA-N	504.300	4.265	5	40	KIBB	
Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(Br)cc3)cc3c(=O)n4cccc(C)c4nc32)cc1	101089116	UVEXMGQYHYRDQV-UHFFFAOYSA-N	549.450	4.389	5	40	KIBB	
CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1	102219051	OJMGUNWXXFNKIN-UHFFFAOYSA-N	536.574	4.374	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)ccc2N2CCOCC2)cc1	103011965	WAUPGZOHECSXJX-UHFFFAOYSA-N	595.678	4.483	5	40	KIBB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	225688676	LXULNJYMMBTZEW-QHCPKHFHSA-N	596.706	4.092	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	261091331	UDZZYBWTZXVLQK-HHHXNRCGSA-N	610.733	4.233	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733924	RVRBLAOUKLHXJG-VVNKCDPRSA-N	574.571	4.183	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408830604	NGDGBUUIQKKSGS-MFCBUNOESA-N	589.626	4.292	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	409029311	YWONKZZRMFUAAD-UHFFFAOYSA-N	517.585	4.168	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	6489010	DJXSQYLHERXRQU-GVMLUORFSA-N	559.600	4.284	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223523228	VHYYQDBKZCKGGH-QHCPKHFHSA-N	566.680	4.166	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1	224181596	VCJPBJZOWCSJIV-QHCPKHFHSA-N	566.680	4.288	5	40	KIBB	
COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)C(=O)O)n[nH]2)c1	408634156	ROFQGHJGIZRBIM-WCSRMQSCSA-N	523.321	4.083	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)c1	408663302	YJCZGFLVIQEFQT-YPLOMLCWSA-N	597.580	4.260	5	40	KIBB	
CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	22269711	JMCARIDGMRXYDC-OAQYLSRUSA-N	503.964	4.175	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cc(Br)ccc1Cl	33357285	CWNYWYCIQVXSKD-YZTHAVIRSA-N	585.842	4.162	5	40	KIBB	
O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105315364	JZUFWKNWPOBPEH-UHFFFAOYSA-N	530.562	4.332	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	105497021	ATWBVWCITCNYNE-VPHSIRQSSA-N	615.664	4.303	5	40	KIBB	
CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nn12	106297427	NDCAWEVODDJKEL-UHFFFAOYSA-N	536.643	4.359	5	40	KIBB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	19941411	MRYJJAWEKZRKGD-AREMUKBSSA-N	528.617	4.012	5	40	KIBB	
Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nn12	105304640	RXFVWDUUWXAVEZ-UHFFFAOYSA-N	519.568	4.134	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225265722	ZDNGAWZLWKLTQE-HZPDHXFCSA-N	589.498	4.008	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1	409102680	FAEZSEUSQQESLP-JAYSWQADSA-N	631.692	4.157	5	40	KIBB	
COc1ccc(CCNC(=O)CSc2nc3ccccc3c3nc(-c4cccc([N+](=O)[O-])c4)nn23)cc1OC	2969084	DKACJTXPAYZTMY-UHFFFAOYSA-N	544.593	4.321	5	40	KIBB	
COC(=O)c1c(COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1-c1ccccc1	13017677	LWZAMDDFCKWBKD-UHFFFAOYSA-N	513.506	4.460	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)C(C)(C)Oc1ccc(Cl)cc1	103162840	SNOQRYLAWPAWRF-QLTSDVKISA-N	537.016	4.420	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	163743374	QJMFMVDMWBXCRP-NIQJEMAJSA-N	671.469	4.179	5	40	KIBB	
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c([N+](=O)[O-])c1	9892493	CSAWAFIQRNIOLJ-UHFFFAOYSA-N	506.578	4.395	5	40	KIBB	
CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12	12640641	KXRYPUYEZBNFCZ-UHFFFAOYSA-N	502.578	4.392	5	40	KIBB	
CN1CCN(c2ccc(C(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2[N+](=O)[O-])CC1	102898083	URAZYDQEQVWTOD-UHFFFAOYSA-N	535.595	4.172	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccccc1Cl	103629778	UCEWHSFQXOIHFJ-FSRJSHLRSA-N	526.980	4.463	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	103790402	SWWVIUKJZQEFDO-IYMWYRQMSA-N	586.464	4.298	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O	103910633	YDJOMMZUXPHZHJ-NGSHPTGOSA-N	524.489	4.210	5	40	KIBB	
CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224439625	DLVVQISYHLHDNJ-AREMUKBSSA-N	584.670	4.055	5	40	KIBB	
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225175796	JEVIEPJEYCZFPL-HSZRJFAPSA-N	595.118	4.279	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408824993	CORPUXJFKUXMNQ-MFCBUNOESA-N	619.652	4.301	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc([N+](=O)[O-])cc3)c2=O)=N1	409042126	WDYYTEKQVAPAQX-FJWZAKCXSA-N	586.464	4.258	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	409198459	GHMHGACSBXHPPB-HTCWZNLXSA-N	586.626	4.293	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O	409276344	PXCCJVDAYOKUBB-CIAFOILYSA-N	536.522	4.474	5	40	KIBB	
COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Br)c(C)c1C	409306201	YYDCSYJYEGYHCA-DAXSKMNVSA-N	545.346	4.372	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)o1	409399539	JRDGFLOMJUAGML-ZDLGFXPLSA-N	511.874	4.300	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccccc1C(F)(F)F	101176625	FYSACBLRJPUXAL-VAMRJTSQSA-N	512.488	4.242	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408686860	SMRXKCCDQWOYNZ-IEBWSBKVSA-N	516.337	4.483	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	22278928	OTTIEOQZFXTREX-UHFFFAOYSA-N	505.936	4.099	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1OC	97954395	YAFODCKYICSUMH-QUMGSSFMSA-N	525.517	4.010	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1cccc2ccccc12	100820921	YZEMCCFRDSXFFY-MXNGAVTRSA-N	518.529	4.362	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccc(Cl)cc1	101150514	SEYBBVOYUNFZES-KRUMMXJUSA-N	516.941	4.170	5	40	KIBB	
CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@]1(C)N=c1s/c(=C/c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n12	101407953	PIOCSBHMIJQMNL-SCJXJACQSA-N	565.991	4.009	5	40	KIBB	
CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225172701	OTFSJALQDUEEEZ-QGZVFWFLSA-N	506.606	4.044	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	2152119	RWOZBOIYDAWRQA-PWUYWRBVSA-N	540.576	4.021	5	40	KIBB	biogenic
O=[N+]([O-])c1cc(I)ccc1Cc1ccc(I)cc1[N+](=O)[O-]	4896162	SCJKFZVYCPRQEH-UHFFFAOYSA-N	510.025	4.303	5	40	KIBB	
COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ccc2[N+](=O)[O-])cc1OC	33353832	QYHCKNGXTBTETM-UHFFFAOYSA-N	561.060	4.431	5	40	KIBB	
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	103076055	ICLYISZJZOECAW-UHFFFAOYSA-N	539.566	4.132	5	40	KIBB	
COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n21	408957570	TYGAKXNKJCKLSZ-YOGOOIESSA-N	667.332	4.334	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4ccccc4C)c([N+](=O)[O-])c3)C2=O)o1	409399765	LOXZPBXZWSCZBC-GRSHGNNSSA-N	613.377	4.156	5	40	KIBB	
COC(=O)c1ccc(-c2cc(Nc3ncnc(Cl)c3[N+](=O)[O-])c(N3CCN(C)CC3)cc2F)cc1	1857793903	SEEJVXSPLNNUEO-UHFFFAOYSA-N	500.918	4.126	5	40	KIBB	
COc1ccc2c(c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]13CCN(C)[C@@H](C2)[C@H]1CCC1(C3)OCCO1	1705714	PLJWVESELALUGK-HHJKRLRDSA-N	511.531	4.345	5	40	KIBB	
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Br)cc4)c(=N)n(C4CCCC4)c3nc12	2403252	KNUMWUMNJWSODS-UHFFFAOYSA-N	513.417	4.147	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	33663158	KLAUOSGWNWLJEC-UHFFFAOYSA-N	515.935	4.253	5	40	KIBB	
CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	64097931	LHMBYHDQQLQZIV-LPKQAODOSA-N	522.561	4.172	5	40	KIBB	
COc1ccc(CNC(=O)COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c(OC)c1	70708026	SHCVLDYMGXJNES-UHFFFAOYSA-N	553.571	4.322	5	40	KIBB	biogenic
O=C(CCCCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NCCc1ccc(Cl)cc1	100852587	LODZKLPPWXDDQN-UHFFFAOYSA-N	535.000	4.302	5	40	KIBB	
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc1)C1=C(O)c3ccccc3C1=N2	102673480	PJIXUTABMJWKIQ-OMHSXHNCSA-N	562.538	4.160	5	40	KIBB	
CCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1	408637392	JTBFANHIYDQHFQ-QFIPXVFZSA-N	574.542	4.160	5	40	KIBB	
C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C	409137976	XRFMBLFQJLYREV-AWEZNQCLSA-N	523.600	4.069	5	40	KIBB	
COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)o2)c([N+](=O)[O-])c1	409195226	GLZDXKIXPUMXDA-BUVRLJJBSA-N	564.576	4.375	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl	4529171	VUQAUSCTVNHCAY-AWEZNQCLSA-N	591.982	4.013	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(Cn4ccc([N+](=O)[O-])n4)o3)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1	100207841	SZVFIYXLDZAQDL-MHWRWJLKSA-N	566.508	4.307	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Cl)cc1)N1N=Cc3ccccc3[C@@H]21	100920179	PMDRROAUXZSIKJ-KIHHCIJBSA-N	530.924	4.018	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1	102548950	WWRLQDNGXUMIBG-GMSYZADYSA-N	618.687	4.251	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222692597	YIYGCIOGLMADEN-QGZVFWFLSA-N	579.462	4.260	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225298235	XCAJLFDDYSUZGZ-JKSUJKDBSA-N	589.498	4.008	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3OC)cc2)c1	408643341	AJVUYCQGPCZWIM-UHFFFAOYSA-N	523.498	4.305	5	40	KIBB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)cc1	409015671	CWCBFWALJGKBDX-ZVHZXABRSA-N	509.522	4.438	5	40	KIBB	
CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409129586	GUVKPQLDSJZSPZ-HTAPYJJXSA-N	510.620	4.303	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409147779	ZDWFAYIMGNOGHU-NWKGEQBZSA-N	663.490	4.027	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C	409159777	UMAWIVKPWXKKOJ-JOCHJYFZSA-N	526.619	4.381	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O	409382060	KXKIPCVTSKWYEA-LEWJYISDSA-N	577.329	4.385	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1	409399807	MUFXPEWQKUIESL-GRSHGNNSSA-N	541.900	4.308	5	40	KIBB	
C[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCOCC2)cc1	103111153	XNSSNBGXWHBBPU-KRWDZBQOSA-N	537.956	4.500	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225682942	XPRGIJYORRXWQW-IIBYNOLFSA-N	603.525	4.398	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21	247345275	UEGVIOWJDSMQJJ-XQUALCHDSA-N	559.376	4.386	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	409103555	DIPDJROXXXOKEX-RJFKIUDMSA-N	698.539	4.484	5	40	KIBB	
Cc1cc(C)n2c(Br)c(CN3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)nc2n1	17012096	OJZFREPFHILKOX-UHFFFAOYSA-N	513.318	4.358	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1OC	163634637	ISUDJFUINWQRFF-DQARITGZSA-N	646.634	4.424	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224104416	MLSSENGBCNNYBM-SANMLTNESA-N	519.598	4.457	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408647778	VOLQKAPYGALWGN-PBXQCXKZSA-N	569.570	4.475	5	40	KIBB	
COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1	408660267	NGTJKNOWABZCSF-SFHVURJKSA-N	519.510	4.239	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc([N+](=O)[O-])c1O	408871658	ZMPOUVQIZBDYOS-PXNMLYILSA-N	511.434	4.393	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)cc2)cc1[N+](=O)[O-]	409139144	AISFVIAIVMQXEL-QQXSKIMKSA-N	638.680	4.183	5	40	KIBB	
COc1ccc(CCn2c(=N)c(C(=O)N[C@H](C)c3ccccc3)cc3c(=O)n4cccc(C)c4nc32)cc1OC	101103169	LMDBLILZXQVMIS-HXUWFJFHSA-N	537.620	4.188	5	40	KIBB	
CCOC(=O)c1ccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1	113625931	GPKOLPFGBCMARB-UHFFFAOYSA-N	541.582	4.231	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222721481	QCSBSHQBOZJNTM-XMMPIXPASA-N	623.515	4.062	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	223009101	NFZYAYMURDACDI-INIZCTEOSA-N	573.499	4.308	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nnc(CCOCCOCCc2nnc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)s1	408732558	WTVDDKLUPFUGNZ-UHFFFAOYSA-N	644.652	4.312	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc(C(=O)O)cc3)C2=O)o1	409401335	SOICEDRTPSEKKS-NVMNQCDNSA-N	600.334	4.107	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222955951	SXAQVYHUXCAYEQ-QFIPXVFZSA-N	552.653	4.124	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223392166	GVQDWLHRIHEKPR-SANMLTNESA-N	587.098	4.099	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225387307	YWKBXUIZIKLESA-FGZHOGPDSA-N	582.679	4.131	5	40	KIBB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1	408685247	LBKHYHBQEFFWAD-OWAUWMPXSA-N	527.533	4.464	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(SC)cc1	408993052	BRUHOYPGACTBLA-CJIXEESDSA-N	601.662	4.294	5	40	KIBB	
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21	409012545	ITDIPWLDYGBMOF-RYOBIWAXSA-N	633.679	4.390	5	40	KIBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1	409206795	LMEKQHOBDZEVKG-NDENLUEZSA-N	506.496	4.466	5	40	KIBB	
COc1c(Br)cc([N+](=O)[O-])c(OC)c1C(=O)NC(=O)Nc1c(F)c(F)c(F)c(F)c1F	2570329	ZAKIGDAVHJBXPY-UHFFFAOYSA-N	514.157	4.032	5	40	KIBB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225538858	RSNMGFGMVIDYDQ-HXUWFJFHSA-N	573.071	4.385	5	40	KIBB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	409213199	RLXGUCFJKXRXTA-LPYMAVHISA-N	534.500	4.243	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(=O)c3ccc(Br)cc3)C2=O)o1	409409876	ROOZHXRJGJWGLN-BOPFTXTBSA-N	570.308	4.049	5	40	KIBB	
COc1ccc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(Br)cc1	97982677	KSAWBWRTPNEWSI-UHFFFAOYSA-N	548.371	4.378	5	40	KIBB	
COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1=O	102097545	KBXPUTFVAKRFEA-SFHVURJKSA-N	552.923	4.255	5	40	KIBB	
COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12	247881203	JFFLXPGBKYMXLG-NGSHPTGOSA-N	544.951	4.411	5	40	KIBB	
CC[C@]12C[N@+]3([O-])CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@H]4[C@@]56CCN5CC=C[C@](CC)([C@@H]56)[C@@H](OC(C)=O)[C@@]4(O)C(=O)OC)C[C@@H](C3)[C@@H]1O2	254216526	JTXQOORWDLJELA-QMXJSINQSA-N	824.972	4.020	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(OC(=O)c2cccs2)cc1	408649086	XGOLPCAMMVVHDK-RPEAPLKRSA-N	597.605	4.169	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	6227722	ZLAFFWHMZKTOCM-RLGZEVEKSA-N	594.001	4.349	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1N1CCc2ccccc2C1	13632921	GFROYOSZTGQEEJ-UHFFFAOYSA-N	519.048	4.383	5	40	KIBB	
CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])cc3)co2)s1	15391471	ZZVPFJAMPVZOKA-UHFFFAOYSA-N	504.546	4.286	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(F)cc1	100810835	BLPTVCHOVZPNRR-ZDGAQAAHSA-N	547.564	4.414	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)COc1ccc2ccccc2c1	103627966	SAPYERLDKJZQDS-QVTSOHHYSA-N	510.550	4.066	5	40	KIBB	
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)C(=O)O)o2)c1	408632440	IVUDKDZGRIZYOC-WCSRMQSCSA-N	524.305	4.348	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1	409101500	XXSDFVWGTCNHKC-NLZIUFDSSA-N	605.723	4.370	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408642869	FJGMVHMWSNPTND-BMHXQBNDSA-N	516.337	4.173	5	40	KIBB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1	408682473	GNJUFGPVFXYSKB-KAVKEEAGSA-N	539.544	4.320	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	408831786	PIAGQBLMKNGXCW-ZSJKCPIUSA-N	593.589	4.123	5	40	KIBB	
COc1ccc(CCNC(=O)CSc2nc3ccccc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1OC	2968978	GZTCCHPJAUXEHA-UHFFFAOYSA-N	544.593	4.321	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	97965317	UCOUJHRGISDYHS-MZFJOGFUSA-N	538.404	4.142	5	40	KIBB	
Cn1ncc(Cl)c1C(=O)Oc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	102884206	AYXKOFJTDDUYNG-ARNLJNQMSA-N	618.946	4.160	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)cc1[N+](=O)[O-]	105351861	PTJUNAYWEWNTBH-UHFFFAOYSA-N	563.636	4.091	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222968486	YWYRRGCQVZOAAI-QHCPKHFHSA-N	596.706	4.441	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225576333	NXMQHXWMDXNCRN-SSEXGKCCSA-N	600.697	4.485	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NC(C)(C)C)cc1	260745425	BWGXJOGPJGUEON-JOCHJYFZSA-N	626.732	4.448	5	40	KIBB	
CCOC(=O)c1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)sc2c1CCC2	408617045	DZKUZZXFAJGIRU-UHFFFAOYSA-N	529.596	4.156	5	40	KIBB	
CCc1nnc(NC(=O)CSc2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4C(=O)O)cc3s2)s1	408748998	DJUDNHSGXSVNNP-UHFFFAOYSA-N	544.596	4.300	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c2=O)=N1	409038568	PIRKGVXXJCTMNJ-RWTNITNYSA-N	556.040	4.457	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(=O)/C=C/c3ccc(Cl)cc3)C2=O)o1	409409769	QYKFCGXPESOUQN-DTLUPDQHSA-N	551.895	4.340	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(Sc3nnc(-c4ccc(F)cc4)n3C)c([N+](=O)[O-])c2)cc1	13063425	PWRGOHPBYSSHRC-UHFFFAOYSA-N	515.548	4.490	5	40	KIBB	
O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	101070448	FVMDOKZVFGOTOU-PZUNEJSGSA-N	602.405	4.028	5	40	KIBB	
CN1C[C@H](c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408563458	AKZRGUMWQJDJCS-HFRGRHLUSA-N	553.369	4.458	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409135011	QRZPYMLWTZTFJD-HXUWFJFHSA-N	500.556	4.203	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	409147384	WFPQAUGQLMAUTH-ZWTBYVTRSA-N	677.761	4.290	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	6488989	GENMGTMLMVZTED-CRCYZHLCSA-N	589.626	4.292	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccccc1OC	103751669	NIXXYQBDYHQENN-RGFRMHDHSA-N	585.638	4.294	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223352753	LCORMYQINMNBHY-MRXNPFEDSA-N	559.472	4.001	5	40	KIBB	
COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C	409338974	CRYFSXZONWGOSF-UITAMQMPSA-N	545.346	4.372	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccs1	2678627	SHMPKSNSVRWDEB-VLOXRPPESA-N	521.576	4.028	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1O	9233159	URSJZLFWYYHNRE-OVCLIPMQSA-N	512.281	4.150	5	40	KIBB	
COc1ccc(CCNC(=O)CCCc2nnc3n4nc(-c5ccccc5)nc4c4ccccc4n23)cc1OC	101501443	JTJXCQHGUSAJDZ-UHFFFAOYSA-N	535.608	4.291	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	102740574	FYPNFKXDECGYAK-BHIFYINESA-N	540.326	4.123	5	40	KIBB	
O=C(NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105306537	SNBNUHNFWRICGJ-UHFFFAOYSA-N	548.444	4.444	5	40	KIBB	
CO[C@@H]1O[C@@]23CC[C@]4(O)C[C@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]14[C@H]2CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]13	119184071	LVPSFFFJUAEDQD-INPYQBQUSA-N	612.632	4.391	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	222685862	BWUPICMKSZACRN-QHCPKHFHSA-N	556.413	4.131	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	223997074	XPUFSAWMHHLLMZ-INIZCTEOSA-N	601.509	4.152	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224363939	ZZSZTHGVGPEGTB-VWLOTQADSA-N	523.561	4.288	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	226403739	WSKQVVGNMZFBIX-ORUDDXMNSA-N	540.359	4.195	5	40	KIBB	
O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1cccc([N+](=O)[O-])c1	408647903	BXWNZGZCVMAPTB-FPMFRTRJSA-N	522.344	4.127	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733570	KOUZRMFTDNOSMW-KCQXITDRSA-N	634.623	4.200	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc2c(c1)OCCO2	409193179	DQWNKPWSGTUXCZ-CIAFOILYSA-N	507.480	4.301	5	40	KIBB	
Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1C	6441968	JCEINRSRYLMZSP-HHHXNRCGSA-N	542.644	4.456	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	226403752	WSKQVVGNMZFBIX-PIWUSATESA-N	540.359	4.195	5	40	KIBB	
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)NC2CCCCC2)c1	13133883	JVXUJZXOPSCGIF-KRWDZBQOSA-N	503.577	4.007	5	40	KIBB	
CCOC(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1Cl	22429840	AATVKENQPIAAGF-UHFFFAOYSA-N	517.947	4.259	5	40	KIBB	
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c1	102755398	XXNYYPINKCEHAO-BHIFYINESA-N	524.327	4.417	5	40	KIBB	
CC(C)C[C@@H](C(=O)OCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br)N1C(=O)c2ccccc2C1=O	103078322	AMJACXMTZILATJ-KRWDZBQOSA-N	597.216	4.312	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225479952	RAUMFWZKJPKOQP-MUUNZHRXSA-N	598.697	4.365	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(Cl)c2)cc1	408636848	UWMMFECHVCNOGD-UHFFFAOYSA-N	505.936	4.384	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408637783	BCVNKGBRAMTTRQ-UHFFFAOYSA-N	549.495	4.350	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409097297	GFPSUZCXDHIOGC-KGONEIDKSA-N	698.577	4.433	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1	13677653	GKEBOWHRLMBABB-ZDUSSCGKSA-N	502.376	4.091	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	16347906	HRQWWQGWQSBSEL-FRQCXROJSA-N	507.996	4.065	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1cccc2c(Br)cccc12	107657187	HIJPQDXEZUYIFE-UHFFFAOYSA-N	584.496	4.184	5	40	KIBB	
O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc([N+](=O)[O-])cc1	408656799	MJGHCGAJZJCKBT-LSSDNNNWSA-N	537.355	4.231	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(C)cc1	408833597	TUXIBSYIPLFTEX-LMSRTUJASA-N	559.600	4.284	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)cc1	409098891	MOGMJYVJUBQQOB-GTWFGUSFSA-N	617.709	4.435	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1	108170310	MVNWUMOVNNNFGX-AWEZNQCLSA-N	533.010	4.019	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2nnc(SC(C)C)s2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	223143779	HZBHPIKXJVYGLC-UHFFFAOYSA-N	537.645	4.098	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1	409104446	ZTVOSONRSFYVLF-ZGOFBEGVSA-N	647.735	4.445	5	40	KIBB	
CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	409354534	HELRFHGJISMHDE-UHFFFAOYSA-N	509.375	4.174	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	8400005	DIZCDGDYFQRDDV-WYQLEPPDSA-N	644.153	4.249	5	40	KIBB	
COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n2c4ccccc4nc32)cc1OC	150443214	MBFQWCWICHLBOD-UHFFFAOYSA-N	698.827	4.124	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223407530	CENWFNQHFIXOPT-QGZVFWFLSA-N	573.499	4.310	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)cc1	224181677	LRNPTSXDEKEBNO-QHCPKHFHSA-N	566.680	4.288	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224200498	DYQMBWOPOYQMMP-MHZLTWQESA-N	596.706	4.359	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224883966	GJNQMVZQMCHJOK-NDEPHWFRSA-N	596.706	4.378	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(F)c3F)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	409259254	XTIFEGMAFUBBRP-ODLFYWEKSA-N	623.543	4.463	5	40	KIBB	
CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409352076	VZUKOYYHJXXEMW-YVMONPNESA-N	580.291	4.457	5	40	KIBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2	8685089	FAVRMHZHOQIBIC-JHXAUMMHSA-N	509.024	4.428	5	40	KIBB	aggregator
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	59886627	NGLSMXDHQPSULB-UHFFFAOYSA-N	566.617	4.230	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	100185577	LKGGTVTYQKFDNI-KMBIYUNPSA-N	559.600	4.284	5	40	KIBB	
COc1cccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)c1OC	100824136	PUHUVCZITDPTCF-UHFFFAOYSA-N	523.523	4.158	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(SC)cc1	409000637	UQSNZIIGYYRWFX-GLSAMTQTSA-N	618.649	4.180	5	40	KIBB	
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Br)c3ccccc32)cc1[N+](=O)[O-]	409182870	PJWBRROEDSGGFC-VUUXHMSQSA-N	533.334	4.423	5	40	KIBB	
COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc5c(cc4[N+](=O)[O-])OCCO5)cc3n2)cc1	11667405	JDGRJOJQNQINCT-UHFFFAOYSA-N	515.404	4.355	5	40	KIBB	
CC[C@@H](C)n1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3cccc(C)c3nc21	101037529	TTZYKKOPOJKHNI-CQSZACIVSA-N	501.406	4.003	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@]12C(=O)Nc1ccc(Cl)cc12	102750874	RPTKCNLFCBXWBF-OEZPAIJMSA-N	528.952	4.263	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O	103986348	DQHRRIALCJSXKU-VPBXCIAMSA-N	544.951	4.411	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222994305	JUSLEWRHOFDYJT-IBGZPJMESA-N	603.495	4.106	5	40	KIBB	
O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1	408669685	RUJMRQYWGOGMRW-AWEZNQCLSA-N	505.870	4.007	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	408975785	NMKZFELAOZWBBW-GTWFGUSFSA-N	559.600	4.365	5	40	KIBB	
CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Br)(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-]	409182864	PJWBRROEDSGGFC-FGEXJBCWSA-N	533.334	4.423	5	40	KIBB	
C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	409362889	SIVDIWBUEGNODN-NSHDSACASA-N	509.375	4.252	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	2159118	PVCNLAUHUHDBSE-CBYYHRJHSA-N	563.563	4.114	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	2665736	VHMHSIFSBGAIMK-IBYCJETLSA-N	583.651	4.231	5	40	KIBB	
COCCn1c(-c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C	13526365	OWNOPYLGXQVNGL-UHFFFAOYSA-N	513.938	4.210	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@H]1c1ccc(F)cc1	163567954	RYIAYCMQTFTZAP-ZJTZAHLKSA-N	646.678	4.037	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1	222840067	ARCJXJCNBUXHEO-VWLOTQADSA-N	507.612	4.223	5	40	KIBB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1Cl	408687420	UIORNSXIZNCUFE-GASCZTMLSA-N	502.310	4.093	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409193034	ANOAVVBZALFJER-UUYOSTAYSA-N	564.532	4.237	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)S(C)(=O)=O	224832944	QLORBXHHZDKOHK-UHFFFAOYSA-N	533.990	4.032	5	40	KIBB	
O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1	409173383	LPLKPQKBMPBASE-UHFFFAOYSA-N	504.314	4.230	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O	409207708	XVBATDCDFSVLFD-NDENLUEZSA-N	506.496	4.466	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)o1	409410083	TURATDZKFCQLNH-WOJGMQOQSA-N	570.308	4.049	5	40	KIBB	
COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1OC	14274774	JIAGKAVBGCFYMY-UHFFFAOYSA-N	513.601	4.463	5	40	KIBB	
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1	23182002	NUCQDKDVZIWTNN-GAJHUEQPSA-N	504.609	4.026	5	40	KIBB	
O=C(c1ccc(-c2cc3ccccc3oc2=O)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	100113737	VKGVJRUJWPKUGZ-UHFFFAOYSA-N	540.576	4.167	5	40	KIBB	
Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	105315455	RXMOYXKMZQBAEA-UHFFFAOYSA-N	536.643	4.495	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O	225192077	VPZJCVFJHLVKDI-IBGZPJMESA-N	609.543	4.298	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@H]2C[C@@H](C)CC[C@H]2C1=O	408671098	SUDIAZODFCPUSC-OZPQRRJYSA-N	519.554	4.096	5	40	KIBB	
C[C@]1(O)CC(=O)[C@H](C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OCc1ccccc1	6299022	HPJHCPXKZIHADY-QNVWVOQGSA-N	517.534	4.121	5	40	KIBB	
COc1ccc(-c2nnc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])c3)s2)cc1	39767237	NZLFHDCVWJVOCE-UHFFFAOYSA-N	511.541	4.175	5	40	KIBB	
CCOCCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	97981127	QOPJWMDWYVWFBB-JJKYIXSRSA-N	543.407	4.300	5	40	KIBB	
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br	97982419	VEJPIERUHXPEML-UHFFFAOYSA-N	541.177	4.420	5	40	KIBB	
CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O	408670583	SRELDTWWWIHXOF-QGZVFWFLSA-N	529.505	4.061	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409221011	JGGOFAQEQFBINQ-CIAFOILYSA-N	658.405	4.327	5	40	KIBB	
COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccc(OC)c(OC)c4)c3)CC2)cc1	8691119	WTDAXWUPWALGAO-UHFFFAOYSA-N	520.586	4.238	5	40	KIBB	biogenic
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1	9234218	BJUJRUBMXKWMAE-SDHSZQHLSA-N	519.510	4.062	5	40	KIBB	
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22843975	QVFZZOCLAJGOAZ-UHFFFAOYSA-N	519.539	4.072	5	40	KIBB	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	103070797	GTVVUDIYQBWBSL-INIZCTEOSA-N	538.022	4.343	5	40	KIBB	
Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl	105306451	VQMIZTKEXAFSSN-UHFFFAOYSA-N	552.016	4.254	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223301401	DQQWMGVBAPJPHB-SANMLTNESA-N	587.098	4.099	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12	408642860	FIXOIAKILORTLL-PJUBBZNESA-N	516.337	4.339	5	40	KIBB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1	408685250	LBKHYHBQEFFWAD-WVQWTBLQSA-N	527.533	4.464	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1	409098420	LINNUZFQIOZBPA-OGRZUZBBSA-N	617.709	4.437	5	40	KIBB	
CC(C)c1nn2c(=O)cc(N3CCN(c4ccc([N+](=O)[O-])c(NCCc5ccccc5)c4)CC3)nc2s1	5945209	PFNQLMNRRLZRBJ-UHFFFAOYSA-N	519.631	4.164	5	40	KIBB	
COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1=O	101165743	RNFZWLJSTLRXID-LIONHTAISA-N	544.951	4.411	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	101671814	PMOFEUADORFXTM-URVUXULASA-N	585.323	4.031	5	40	KIBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	104030458	RJXNBZRXDNKBQO-YCAMKHIRSA-N	514.925	4.402	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-]	224758290	DEKMYOWGBFVSAU-MRXNPFEDSA-N	534.407	4.221	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225304070	LAAGSCKDXVIJFK-MUUNZHRXSA-N	610.733	4.234	5	40	KIBB	
O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1	3662624	JYVNXRSFTSJDSW-FQEVSTJZSA-N	509.316	4.354	5	40	KIBB	
COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1	150385099	SRFORVDSQZILLP-MYYYXRDXSA-N	662.681	4.238	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	197850710	BQIIFHJUYVXXPR-UHFFFAOYSA-N	661.118	4.298	5	40	KIBB	
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	225405226	LDOJTEWIPXDCMM-ZEQRLZLVSA-N	534.623	4.329	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408684194	MYWQJIJGJDJMJN-UAOJZALGSA-N	528.359	4.019	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1	408770163	UEWVSJRVASMSGS-LWUPDDLQSA-N	591.667	4.356	5	40	KIBB	
COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1	409176829	YWGDPBNWSBYYJE-UHFFFAOYSA-N	508.870	4.406	5	40	KIBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1	13682285	GGRMUIZZMHBLRT-FQEVSTJZSA-N	508.339	4.497	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	14274393	LWAVOCUBOWOHAQ-UHFFFAOYSA-N	504.012	4.202	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223431887	AQUQSXFXYGCGDF-JOCHJYFZSA-N	582.679	4.132	5	40	KIBB	
CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224619282	DKWRKXUIBKZNSE-FQEVSTJZSA-N	573.071	4.385	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(-c4ccccc4)cc3)CC2)c([N+](=O)[O-])c1	408571430	AYZIMJPXIJMEFM-UHFFFAOYSA-N	518.595	4.275	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1OC	409095441	HNXIHEINSQCJCE-CSJROMOCSA-N	572.643	4.280	5	40	KIBB	
CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	409349412	QUVLVXSLBLHPHM-UHFFFAOYSA-N	509.375	4.174	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-]	225743657	FVBGCHJWMNYHQC-AREMUKBSSA-N	519.598	4.395	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261044580	ZDNGAWZLWKLTQE-HOTGVXAUSA-N	589.498	4.008	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	20043762	ATHHNJQAORCSFE-DEOSSOPVSA-N	509.584	4.301	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@@H]3Sc4nc(S)sc4[C@H](c4cc([N+](=O)[O-])ccc4O)[C@@H]3C2=O)cc1	137751762	SICVVHNLIJEGHR-SOLBZPMBSA-N	515.594	4.240	5	40	KIBB	
COc1ccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC	139706683	QMBWXDMJEREXAR-UHFFFAOYSA-N	564.016	4.094	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223745607	WSDNUIJXCRRYMJ-HXUWFJFHSA-N	603.097	4.314	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C	409138020	YUKRWIDEENLYLU-NRFANRHFSA-N	512.592	4.078	5	40	KIBB	
CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)ccc1Cl	409160570	RNSPCTDPYOQJJD-NVMNQCDNSA-N	549.945	4.204	5	40	KIBB	
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	409348703	SDZWPDNUVNWENT-LJQANCHMSA-N	502.984	4.235	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1Cl	409362658	FXPQRBYLAUQGIM-CQSZACIVSA-N	502.984	4.390	5	40	KIBB	
COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	853206	IFWOKSCCTNUIAS-UHFFFAOYSA-N	554.408	4.431	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	33353456	RJZGLRLCURVMHV-UTWPHBJQSA-N	638.452	4.458	5	40	KIBB	
COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-]	100907962	BIFKSNWBQFHIFW-ZSJKCPIUSA-N	540.557	4.144	5	40	KIBB	
CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C	105307973	GTERMQWAXCEPPP-UHFFFAOYSA-N	534.616	4.045	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1	150442915	KWIYGXVTUIJENL-MZANGIHLSA-N	670.121	4.136	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222859134	YSVYWQOTRXOVTB-HHHXNRCGSA-N	582.679	4.131	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408639889	GMYBBNIWTKFHGV-ZQMYSKGWSA-N	559.531	4.068	5	40	KIBB	
CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n21	409013481	KMPKUIKVWIVYJF-NNAGEYCMSA-N	633.679	4.390	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCCSCc1ccco1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409182404	LOYSFXUOFUWQMH-UHFFFAOYSA-N	554.046	4.403	5	40	KIBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	5942153	OXBVFLPXBKOHMF-UHFFFAOYSA-N	568.637	4.257	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224979530	OXPYMFFGRCAQCV-VWLOTQADSA-N	523.561	4.286	5	40	KIBB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(Cl)cc2)cc1OC	409411757	ZNTPZEGLSDWNBO-UHFFFAOYSA-N	519.963	4.408	5	40	KIBB	
CSCC[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12)c1nc2ccccc2[nH]1	618251095	ZVRDHXZSAUYXSU-GXCDEZQASA-N	584.702	4.408	5	40	KIBB	
COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(Cl)c3)N(CCCn3nc(C)c([N+](=O)[O-])c3C)C2=S)cc1	97948448	GCXMOYZWRVMPIM-JOCHJYFZSA-N	571.059	4.491	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cc(C)cc(C)c1	102919346	RJDSSVKPCHDCCT-QVAGMWBUSA-N	530.625	4.307	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1c(F)cccc1F	102921398	KIEXNMJMIWEOJM-QFMPWRQOSA-N	506.509	4.350	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	107692333	WCMVHPMYCPRRFE-UHFFFAOYSA-N	566.562	4.349	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565081	HPVHMXFRUCFCCB-FMNCTDSISA-N	508.918	4.349	5	40	KIBB	
CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O	409244720	HWUWLWWBDLOTMJ-CXUHLZMHSA-N	619.153	4.296	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc(OC)c3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1	409399808	MUFXPEWQKUIESL-VXLYETTFSA-N	541.900	4.308	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224183605	BASWTOFHVXEZCH-HHHXNRCGSA-N	601.125	4.489	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225020905	QYAVPCRGRVBGON-DHIUTWEWSA-N	566.680	4.431	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	261024590	WISGSJAAFKASQS-PKTZIBPZSA-N	566.680	4.431	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccccc1OCC	103629697	NAPRDCYBOGBYNL-MDVFONAFSA-N	536.588	4.208	5	40	KIBB	
CCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	105314669	NQAVUSAXFDJFBU-UHFFFAOYSA-N	524.384	4.489	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224264991	NEHWJQSFXYTGIQ-AREMUKBSSA-N	587.098	4.181	5	40	KIBB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc2)c1	408926403	XULGJSMAJUGAMJ-UHFFFAOYSA-N	626.669	4.247	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1	36006841	HGLVIFNJPCFVLH-XPGKHFPBSA-N	509.518	4.310	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)COc1ccc(Cl)cc1	103629765	SOZDXIIQEGFVBK-MDVFONAFSA-N	557.006	4.228	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1	409078872	DLTQSSNVRDWLCD-ABBNRAPFSA-N	585.638	4.294	5	40	KIBB	
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1c[nH]c2ccccc12	1875404	OWRDTPDMHMQVOR-GGXMVOPNSA-N	519.561	4.485	5	40	KIBB	biogenic
COc1ccc(Cl)cc1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	59646800	JBSJIISVKBFWEB-UHFFFAOYSA-N	600.053	4.197	5	40	KIBB	
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	100354017	LXEDAVBUBZTBAC-LJAQVGFWSA-N	564.650	4.194	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1	260778899	IVAAESCJOTXEHO-JOCHJYFZSA-N	594.690	4.275	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035515	PWPBRCAWILZFAJ-VKSQQWFDSA-N	687.727	4.236	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc([N+](=O)[O-])cc1	409081296	PKDCDUTXNGYAGO-QTTRZTASSA-N	630.635	4.202	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409174664	WSSOKKIWYMHLIR-UHFFFAOYSA-N	577.034	4.248	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	3771208	AWHNUSHLNLVKFR-ZFWDJNJRSA-N	573.583	4.004	5	40	KIBB	
COc1ccc(/C=C/C(=O)OCc2nc3ccccc3c3ccccc23)cc1S(=O)(=O)N1CCOCC1	13063667	BTQAYMQSPFEELD-ACCUITESSA-N	518.591	4.174	5	40	KIBB	
Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	97945594	MGFKXDWWZLWCIT-UHFFFAOYSA-N	532.505	4.088	5	40	KIBB	
Cc1nn(-c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)c(Cl)c4)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12	100322585	MVRLISDCRJTOAA-UHFFFAOYSA-N	574.446	4.420	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	101671821	PMOFEUADORFXTM-VWPQPMDRSA-N	585.323	4.031	5	40	KIBB	
O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br	103128027	GKISKCHQFRMRLV-AWEZNQCLSA-N	559.192	4.105	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1cccc(OC)c1	408995341	MLVCQJDBTCJDRC-GLSAMTQTSA-N	636.480	4.321	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1C	409342544	GNKRBMYCJOSHAC-UHFFFAOYSA-N	509.375	4.251	5	40	KIBB	
Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(=O)[nH]c2c1C	914322	NAISENYFDLVYOW-UHFFFAOYSA-N	521.551	4.173	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1ccc(Cl)c(Cl)c1)S(C)(=O)=O	10434366	HWQASXPHUXGHNB-UHFFFAOYSA-N	506.433	4.026	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1	104141102	MQWAIZJUSZVKJB-SSUZURRFSA-N	525.517	4.010	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	163637696	BMJAFUIPNSATSW-FCVOFCDTSA-N	676.660	4.433	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224265052	NEHWJQSFXYTGIQ-SANMLTNESA-N	587.098	4.181	5	40	KIBB	
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	225405414	CBQXRSXWHZFMKN-ZEQRLZLVSA-N	534.623	4.329	5	40	KIBB	
O=C(COC(=O)c1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1)c1cccc([N+](=O)[O-])c1	409181068	VLBNEVMSRZHFFZ-UHFFFAOYSA-N	637.513	4.383	5	40	KIBB	
Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	409340926	CGVSRAIBMCSCSK-UHFFFAOYSA-N	529.793	4.344	5	40	KIBB	
O=C(NC(=S)Nc1ccccc1I)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	14274380	CHOXWNHHXSGBEJ-UHFFFAOYSA-N	510.357	4.317	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1	35176297	RRKRNLAIQOITDK-CYBMUJFWSA-N	518.983	4.090	5	40	KIBB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)cc1	103551062	JNQMUKCDYNLRIY-POTDNYQPSA-N	537.528	4.170	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(OC)c(OC)cc4[N+](=O)[O-])c(=O)n32)cc1	408856394	IEKOSLKNAJDAJD-FUFNRSNVSA-N	600.653	4.198	5	40	KIBB	
COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)o2)c([N+](=O)[O-])c1	409155697	MHBDOWSYWWCVLF-UFFVCSGVSA-N	523.479	4.267	5	40	KIBB	
CC[C@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)cc1[N+](=O)[O-]	409401983	USNCMLVYZUERBI-LWHXSLQUSA-N	522.308	4.007	5	40	KIBB	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1	18125925	LJQNYGCQFZJHGA-ZRBLBEILSA-N	509.902	4.317	5	40	KIBB	
COc1cc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	101669752	KDQRKIRJGGNYDL-FUDKSRODSA-N	554.353	4.118	5	40	KIBB	
COc1ccc(OC)c(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1	197908570	DXACNOZRSWRZEC-QTTRZTASSA-N	525.586	4.244	5	40	KIBB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	205729781	NSWFEHAMRGFKHU-VCHYOVAHSA-N	506.920	4.435	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408640660	BINWKAZBTHRQNB-IAGOWNOFSA-N	502.310	4.093	5	40	KIBB	
COC(=O)c1c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)sc2c1CCCC2	409128344	FFVZIXVQYUOEIY-UHFFFAOYSA-N	529.596	4.156	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c(=O)n2[C@@H]1c1ccc(C)cc1	409207019	YVFBWSGVWNHSJL-RJFKIUDMSA-N	556.600	4.202	5	40	KIBB	
CCCCn1/c(=N\C(=O)c2ccccc2Br)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	2400918	NDPBWESSVDAQFO-FAJYDZGRSA-N	537.414	4.438	5	40	KIBB	
COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OC)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1OC	104658524	VMSJPLVTGMEFIF-QUNTYYFUSA-N	585.638	4.261	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223702763	MWQNNVSOQMAZFD-HXUWFJFHSA-N	603.097	4.314	5	40	KIBB	
CCOc1cc(Br)c([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OCC	408566723	OMERJHBUNPDAJZ-ZFIHGSKBSA-N	516.392	4.301	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	408654004	QJJMUWCQKOSYFZ-BOVDGQEDSA-N	612.551	4.160	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])o1	408730130	FQBDDFBSIIQGPA-QFDNUGPTSA-N	589.626	4.386	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1	409098416	LINNUZFQIOZBPA-ASSGYOTOSA-N	617.709	4.437	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12	9111538	LFDJABJOWZRAMW-LWSSLDFYSA-N	514.925	4.277	5	40	KIBB	
O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	101070445	FVMDOKZVFGOTOU-ZKMPZPQNSA-N	602.405	4.028	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccc(OCC)cc1	103629635	XNQNKEZGMREJQI-MDVFONAFSA-N	536.588	4.208	5	40	KIBB	
CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1	105352511	WEEJBTROOIKZIB-UHFFFAOYSA-N	552.701	4.407	5	40	KIBB	
O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	8832718	UWBQOTRMNIVSCG-UHFFFAOYSA-N	515.935	4.253	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12	9348073	CRGUNCJDWJDPDE-WZYRSQIMSA-N	500.898	4.010	5	40	KIBB	
O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12	63462946	ZULPAKODZSFDPI-NEWJYFPISA-N	514.925	4.402	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1	108988527	OUUMGLQMEFVKAX-FQEVSTJZSA-N	544.659	4.170	5	40	KIBB	
Cc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)c(C)c1	224856624	NZDMOUFWQVVSGQ-UHFFFAOYSA-N	511.600	4.295	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)cc1	408649941	LUUZJFSCLMTXJD-GFNGZDJJSA-N	617.636	4.108	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)c(OC)c4)c(=O)n32)cc1OCC	408933042	GXVRQUWVLSJFNL-SXSMZTLPSA-N	645.690	4.311	5	40	KIBB	
CCOC(=O)c1c(NC(=O)c2ccc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])cc2)sc2c1CCCC2	2731596	ZGMPEIDETPMYAK-UHFFFAOYSA-N	511.560	4.433	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1	101253096	OLGQGZQSNYLOIX-CYXNTTPDSA-N	533.537	4.452	5	40	KIBB	
C[C@H]1C[C@H](C)CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)C2=O)C1	113562482	KQVRIDOKPGLXNC-HKARXFIJSA-N	569.661	4.262	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260967273	LYXPYUQRSOHGHB-AOMKIAJQSA-N	573.499	4.390	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	261094528	USFXNQGYROBQHI-HHHXNRCGSA-N	610.733	4.233	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@@H]56)[C@H]4C3=O)cc2)c1	408639573	FYZXTVSHHAASAI-USYGTZDMSA-N	621.602	4.116	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	408825724	FHXSNXNGCWLTPH-MFCBUNOESA-N	589.626	4.292	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1Br	101087541	LIXTZJSWKNQWKG-SLMZUGIISA-N	523.387	4.219	5	40	KIBB	
CCOC(=O)C1=C(COC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1cccs1	108862314	XXJRVIXSYVBTLS-CKNGIIGNSA-N	542.614	4.167	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)S(C)(=O)=O	109652435	ONMJKYHQUMUSKI-UHFFFAOYSA-N	603.462	4.116	5	40	KIBB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccccc3[N+](=O)[O-])S(=O)(=O)c3ccccc3)cc2)c1	197830001	FFMJPOSDFJMJKR-UHFFFAOYSA-N	626.669	4.247	5	40	KIBB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)c1	409094835	FZSFFNGHPXWUTG-ZSJKCPIUSA-N	633.708	4.053	5	40	KIBB	
O=C(CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)Nc1ccccc1F	409213277	TYYJTBRAUFFIRA-CIAFOILYSA-N	616.343	4.449	5	40	KIBB	
COc1ccc([C@@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1OC	618250533	OFCPQOIQFHEHFT-TVYCSLMSSA-N	572.662	4.452	5	40	KIBB	biogenic
COc1ccccc1N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O	103935681	RNFZWLJSTLRXID-VPBXCIAMSA-N	544.951	4.411	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224176577	VNGFYCCEBNXFIG-SANMLTNESA-N	587.098	4.181	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225703166	YEGGSIUWBZAKGG-SANMLTNESA-N	552.653	4.122	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(C)cc1	408833601	TUXIBSYIPLFTEX-RISWYLRJSA-N	559.600	4.284	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408841135	JCRLKSRFWDQRKY-SUAMDDGLSA-N	635.651	4.001	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1	409116391	KCRQETBGOKDVTQ-UHFFFAOYSA-N	509.462	4.456	5	40	KIBB	
Cc1c(C(=O)NS(=O)(=O)c2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)n(CCOc2ccccc2)c2ccc(Cl)cc12	585272597	OCSXWHVRTORRKS-UHFFFAOYSA-N	642.134	4.453	5	40	KIBB	
CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)c(OC)c1	9215680	MOHMTWAQVAABAG-UHFFFAOYSA-N	501.587	4.289	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1	44873588	VXWLGNPDZHPCSU-UHFFFAOYSA-N	522.627	4.092	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225174430	WMTXDUPVXGWWPK-NRFANRHFSA-N	570.643	4.263	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408685930	QJOZPWIOQBHGDI-ZNOIYHFQSA-N	500.895	4.135	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1	408776991	UHGQHOUGFOCNDT-RISWYLRJSA-N	587.585	4.065	5	40	KIBB	
O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)C2=O)c1cccc([N+](=O)[O-])c1	409177866	JWDKHKCNRRFKGP-UHFFFAOYSA-N	637.513	4.383	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1c(Cl)cccc1Cl)S(C)(=O)=O	10326602	HZNODAPUBBMFNK-UHFFFAOYSA-N	506.433	4.026	5	40	KIBB	
CCOC(=O)c1c(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)sc2c1CCN(Cc1ccccc1)C2	25196771	KYCFBUOZEWWQFN-UHFFFAOYSA-N	523.567	4.430	5	40	KIBB	
COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)o2)cc1	39767009	BYZXQKMIFWOQKV-UHFFFAOYSA-N	504.415	4.066	5	40	KIBB	
CC(C)CCNC(=O)[C@H]1Cc2cccc(c2)Oc2cc(ccc2[N+](=O)[O-])C(=O)N(CCc2ccccc2F)CC(=O)N1	98007971	YOUJJKOOTWUCEO-AREMUKBSSA-N	576.625	4.414	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1	100064339	STYMIBAFAFNLLF-GVMLUORFSA-N	586.582	4.407	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2N2CCOCC2)cc1	103011982	YBPHOGXTOIKGPI-UHFFFAOYSA-N	546.989	4.147	5	40	KIBB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223835962	QBKYFBGRAZZESS-OAQYLSRUSA-N	603.525	4.400	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224183661	BASWTOFHVXEZCH-MHZLTWQESA-N	601.125	4.489	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O	224855446	ZPEIFNBGBGMFSJ-UHFFFAOYSA-N	501.992	4.495	5	40	KIBB	
CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1Cl	224936668	QWIJRMHHSRLKOM-UHFFFAOYSA-N	502.980	4.419	5	40	KIBB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)c1	409096716	GLPCZGXUMLRTEN-LWUPDDLQSA-N	603.682	4.045	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(C)c(OC)c1	409157588	WDHXPIOGBRQPNW-JAYSWQADSA-N	559.600	4.202	5	40	KIBB	
COc1ccc([C@@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1	604404711	QZTPDYZSVYBBHM-QBGSDMOWSA-N	542.636	4.443	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(C)cc1	6489166	HAYKNEHRYLYMMZ-KMBIYUNPSA-N	559.600	4.284	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	97954174	FYPNFKXDECGYAK-BDTNDASRSA-N	540.326	4.123	5	40	KIBB	
Cc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1C	100342265	SWZPKGCMHQIFRT-LJAQVGFWSA-N	564.650	4.194	5	40	KIBB	
Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1	104330925	GQMXYTQCANCNMJ-UHFFFAOYSA-N	529.185	4.282	5	40	KIBB	
C[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5cc([N+](=O)[O-])ccc5OCc5ccc(F)cc5)[C@H]34)[C@@H]2C1=O	150477810	NSRSCJKRCKSRAW-LLUMMBAISA-N	625.656	4.009	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCCCC1	408630315	ROGQGSXTVDDKCN-UHFFFAOYSA-N	522.583	4.055	5	40	KIBB	
CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408731620	ODEGFJZMUHKJFO-QHCPKHFHSA-N	511.556	4.396	5	40	KIBB	
CCCOc1c(I)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	409372002	NMLLSXQDQHKHTA-UHFFFAOYSA-N	513.284	4.427	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1C=Cc3ccccc3[C@@H]21	100897874	OPHQUYPJAKIGPB-NDBXHCKUSA-N	524.489	4.210	5	40	KIBB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223562805	PORIGDNTHFPZNC-OAQYLSRUSA-N	573.499	4.390	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225214171	AGTOXLNIEKJKIP-QFIPXVFZSA-N	501.555	4.378	5	40	KIBB	
COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408569931	KHPPLDJCNMLIOI-LCILEWSWSA-N	538.944	4.404	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)cc1	408649944	LUUZJFSCLMTXJD-TUDQOENJSA-N	617.636	4.108	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cccs1	2307078	YDTOBVQEHRXLGD-WLJFKGHSSA-N	521.576	4.028	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1cccc([N+](=O)[O-])c1	6906638	CKZISMBWQUBCNU-UHFFFAOYSA-N	534.510	4.189	5	40	KIBB	
CCC(=O)Oc1ccc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)c([N+](=O)[O-])c1OC	8396443	ULOVAVLLLQGHMW-HSZRJFAPSA-N	525.543	4.327	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1ccccc1	8400117	LJHOEWQCXXEJTQ-ZMVORIFESA-N	580.666	4.444	5	40	KIBB	
O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCCCN1CCCCCC1	9860266	SCYVFFGQHWYDGL-UHFFFAOYSA-N	510.646	4.297	5	40	KIBB	
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)cc1[N+](=O)[O-]	13102218	GUDKOTYIEYAWCG-FQEVSTJZSA-N	512.565	4.035	5	40	KIBB	
C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1	34587864	VEYOUVRPQAMQNX-SANMLTNESA-O	500.552	4.196	5	40	KIBB	in-vitro
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@H]4O[C@@H](CO)[C@@H](OC)[C@@H](O)[C@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O	59365142	JSKFWUPVIZYJMR-OSTJESQESA-N	669.562	4.300	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccccc1	100178004	RCCYUNGZVQUDLB-ABBNRAPFSA-N	555.612	4.286	5	40	KIBB	
O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	100390772	SAGWEMKYWZWDMF-UHFFFAOYSA-N	539.349	4.398	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O	408663077	YCYOLRIWOUNXDF-KRWDZBQOSA-N	535.465	4.083	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1Cl	409064932	RBVDZLVLUVPYNI-DVUZPASPSA-N	663.108	4.386	5	40	KIBB	
CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12	16021864	LHMBYHDQQLQZIV-VMGOQZOXSA-N	522.561	4.172	5	40	KIBB	
COc1ccc(CN(C)C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC	59853192	QVPSOMXSTLTPRJ-UHFFFAOYSA-N	578.043	4.436	5	40	KIBB	
Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCC(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	97945593	WGYKFEOVXTYSNK-UHFFFAOYSA-N	532.505	4.088	5	40	KIBB	
O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100353126	FMCVSOOSGCJAJN-UHFFFAOYSA-N	532.761	4.411	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2nc(O)c3nnn(Cc4ccc(Cl)cc4Cl)c3n2)CC1	100446545	FXEGSGPICHAMJR-UHFFFAOYSA-N	528.356	4.210	5	40	KIBB	
CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1	100978770	CFIFQVFEOMZXOE-YIPNQBBMSA-N	537.528	4.101	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NN(c3ccccc3)[C@H]2C1=O	101070640	GPEIUVFPXJHHIO-IFMALSPDSA-N	505.328	4.448	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	105497961	WKFWCRCLVWKJLJ-PKYOQBLNSA-N	615.664	4.303	5	40	KIBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12	1315263	RJXNBZRXDNKBQO-KIHHCIJBSA-N	514.925	4.402	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCCOc1ccc(Cl)cc1	8781223	OUPURZHGDYLHIR-UHFFFAOYSA-N	517.007	4.250	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1	13680559	CXJGQYPGZXWWOP-CQSZACIVSA-N	502.376	4.091	5	40	KIBB	
COC(=O)c1c(C)oc2ccc(N(C(=O)c3c(OC)cccc3OC)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12	98048277	DMJMLTLIQSHLPD-UHFFFAOYSA-N	554.533	4.489	5	40	KIBB	
O=c1/c(=C/c2cc(I)c(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1	150497949	XSVPEUAPMMILOY-IZBTWGKQSA-N	652.426	4.445	5	40	KIBB	
COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@H](c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1	408730455	GNTOJLZNLPISDC-IWRQBJDLSA-N	510.502	4.434	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1OCC	408941597	WIEACWSSOJISDO-BZSVIMGHSA-N	676.660	4.433	5	40	KIBB	
CCOC(=O)c1c(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)sc(C(C)=O)c1C	409145808	RNFZAMMYLMXICW-FQEVSTJZSA-N	602.695	4.330	5	40	KIBB	
O=C(CSc1nc(-c2ccccc2)nn1C(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1	9057302	RBMWXLBVFZHKMW-UHFFFAOYSA-N	504.484	4.181	5	40	KIBB	
COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	97954901	HNVLDXYMDUHYGF-FKBYEOEOSA-N	524.327	4.417	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccc(C(F)(F)F)cc1	101833626	OSWYHUJEPOMCOS-VAMRJTSQSA-N	512.488	4.242	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225350626	CLBZYQYTOBSXOM-HXUWFJFHSA-N	589.498	4.010	5	40	KIBB	
COc1ccc(-n2c(COc3ccc4c(c3)OCO4)nnc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1	97993285	MIUSBPBEHQOSDJ-UHFFFAOYSA-N	520.523	4.467	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12	247318671	LFDJABJOWZRAMW-YCAMKHIRSA-N	514.925	4.277	5	40	KIBB	
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n21	409010567	CBWCIESGHNPGFL-PQRKSKNISA-N	663.705	4.399	5	40	KIBB	
CCn1c(CNC(=O)COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C	409156788	UNPPYEHZNVHGAA-UHFFFAOYSA-N	540.646	4.372	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	1874840	WFTDSAQLBKEKTL-FUFSCUOVSA-N	540.576	4.021	5	40	KIBB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	100305002	YFNXYBUWXMYLSY-XQNWCSQWSA-N	585.638	4.294	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1c(-c2ccccc2Cl)noc1C	101177132	HVXIPQMVMLUZMK-PAXCRGIDSA-N	588.020	4.363	5	40	KIBB	
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Br)cc4)c(=N)n(Cc4ccc(F)cc4)c3nc12	101346833	AQLNWWBMKSPTLQ-UHFFFAOYSA-N	553.413	4.220	5	40	KIBB	
O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br	103128032	GKISKCHQFRMRLV-CQSZACIVSA-N	559.192	4.105	5	40	KIBB	
CCc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nn12	105352730	RNZMZPDNLICMIZ-UHFFFAOYSA-N	522.616	4.050	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	105498738	HIQOIKBXXPVJTE-SUAMDDGLSA-N	616.608	4.416	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224747774	LGKNMOMAGPSLEM-QFIPXVFZSA-N	552.653	4.042	5	40	KIBB	
CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccc(C)c([N+](=O)[O-])c1	2805663	MKTQMSYUQXAOKS-UHFFFAOYSA-N	510.543	4.414	5	40	KIBB	
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)N(C)C1CCCCC1	12565405	QXBNSZLJMIUJNB-HNNXBMFYSA-N	523.995	4.385	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1cccc2ccccc12	97965456	XWHSXWMEZIYZPD-NWKGEQBZSA-N	594.443	4.328	5	40	KIBB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	106408821	IWMBPMHBDFPGMK-UHFFFAOYSA-N	553.571	4.495	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	222928628	UFZYHRVGDZBPDD-INIZCTEOSA-N	573.499	4.308	5	40	KIBB	
COc1ccc(N(CC(=O)NC(C)(C)Cc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	223842409	WIRBBBFQQWEJOS-UHFFFAOYSA-N	511.600	4.245	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C)S(C)(=O)=O	225173776	YLIDJOVHMCQNDH-UHFFFAOYSA-N	506.606	4.045	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	260992718	NZQRRMMZSQUXAY-AREMUKBSSA-N	614.696	4.063	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409145605	OOVSFLAUURTFIH-XGLZOBASSA-N	647.735	4.282	5	40	KIBB	
COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409192476	XSJHFHWBVBVCKC-UPINRHINSA-N	514.446	4.295	5	40	KIBB	
COc1cc([C@H]2c3cc4c(cc3[C@@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	8652995	DLROLUIVVKTFPW-PAWHMVCQSA-N	520.494	4.134	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	101214506	PYWWPPKIHWRSDQ-UMFSSWHCSA-N	549.536	4.070	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223055371	RVJLKHFVDVVSQD-HXUWFJFHSA-N	647.548	4.423	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225022426	UKACIOODPZCJBY-QFIPXVFZSA-N	612.705	4.059	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225395214	CIXGPRNOBDQLKF-HHHXNRCGSA-N	582.679	4.132	5	40	KIBB	
O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	8898565	RJULRNMODOVGIU-UHFFFAOYSA-N	508.619	4.207	5	40	KIBB	
Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21	35851584	ADMFIICMWZIGRN-DVAKJLRASA-N	500.580	4.425	5	40	KIBB	
CN1C(=O)C(Cc2c3ccccc3cc3ccccc23)(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C1=S	102607616	MVPDGZMCGVDNHU-ZJSXRUAMSA-N	564.711	4.018	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225174482	TWBLMQZFZICJKR-OAQYLSRUSA-N	570.643	4.263	5	40	KIBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260967274	LYXPYUQRSOHGHB-ZHRRBRCNSA-N	573.499	4.390	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409177181	CXTBJQBXEWTPAX-GVMLUORFSA-N	543.601	4.177	5	40	KIBB	
CCOc1cc(/C=C2\N=C(c3ccc(OC(C)=O)c(OC)c3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	409193053	HNDYSVPELDODHA-BKUYFWCQSA-N	546.488	4.491	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4)C3=O)cc2)cc1[N+](=O)[O-]	106701330	XYPRPBMZGIEUJN-XKZIYDEJSA-N	553.574	4.346	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)N1CCCC1	205912369	JVRIVPSAJARILN-LICLKQGHSA-N	506.334	4.276	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	223922321	DQWZQYSYSWBXFN-INIZCTEOSA-N	601.509	4.152	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1OCC	408941505	VXGPFIFQWFMKHQ-YXXAWSHNSA-N	589.626	4.292	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c2=O)=N1	409039610	HDUJONWTUFIRRO-XSZPGNIMSA-N	529.574	4.275	5	40	KIBB	
CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)ccc1C	1436696	PBMHLPCKTRNFLU-UHFFFAOYSA-N	511.556	4.405	5	40	KIBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1ccc(OC(F)(F)F)cc1	103059976	UCIKIMLSQKITDW-QGZVFWFLSA-N	549.911	4.180	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224224888	HOACZENDFLFGHT-SANMLTNESA-N	617.124	4.189	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408638323	CFTVNHJTIHKFTA-IZZNHLLZSA-N	567.554	4.395	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408659163	VSFBJPWFNREBBU-JWQCQUIFSA-N	555.543	4.229	5	40	KIBB	
CC(C)C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3	408729788	CWEMOFJRYCYGRR-QFIPXVFZSA-N	500.507	4.283	5	40	KIBB	
COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	409337461	UFPMOJJLKKJRQN-TXMYPURDSA-N	536.591	4.255	5	40	KIBB	
Cc1ccc(S(=O)(=O)c2c(N)n(CCCOC(=O)c3cccc([N+](=O)[O-])c3)c3nc4ccccc4nc23)cc1	2313869	BFZOEQYLUKUSNZ-UHFFFAOYSA-N	545.577	4.463	5	40	KIBB	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc3c(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)cccc23)c1	3090127	JGTMFOSVZOXOKD-UHFFFAOYSA-N	528.524	4.258	5	40	KIBB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)n2c(s/c(=C/c3ccc([N+](=O)[O-])cc3)c2=O)=N1	28627766	WQTDZCDQFBSMFB-OWXSRONMSA-N	510.575	4.091	5	40	KIBB	
CCn1c(=O)sc2cc(NC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc21	225085405	MJVJDSMOGSJZML-UHFFFAOYSA-N	556.622	4.142	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225501971	USERCYWOJFRPEN-MHZLTWQESA-N	584.670	4.056	5	40	KIBB	
O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1	408780602	FZRSFQIOMAELDF-AURKMBPUSA-N	527.533	4.095	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	409081859	LFSUISMTTPTZMU-NCBZSOBPSA-N	697.358	4.344	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409124344	BFQYYBRMLULESR-LZYBPNLTSA-N	523.317	4.066	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	409334973	MVRQSJWADAGVHU-IZBTWGKQSA-N	565.991	4.326	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1Cl	8425871	ZDUQXBAPFWDRCS-FJWZAKCXSA-N	535.965	4.230	5	40	KIBB	
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	102997912	AIVUHGWQOWHMFJ-UHFFFAOYSA-N	529.018	4.443	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)Cc1ccc(-c2ccccc2)cc1	103629943	CLESXFWTDZFTPH-VYDLHDNFSA-N	562.626	4.342	5	40	KIBB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223344179	IMOQSYSNXOSOHG-OAQYLSRUSA-N	553.081	4.045	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1	409353386	JZQHTGLWPUOVQJ-CQSZACIVSA-N	502.984	4.390	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc(Br)c1O	101201613	XFVBHBUBBGWURV-SJBKTWHCSA-N	540.326	4.123	5	40	KIBB	
CC1(C)C[C@H]2C[C@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O	101376203	JWRZZLCHFOAEFJ-LKUONDQHSA-N	502.571	4.190	5	40	KIBB	
COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCc2ccccc21	103137336	RUUOQVWXFXVMJQ-UHFFFAOYSA-N	559.984	4.194	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1	408884213	XBKKZEUDWFQRHR-UNDLXJOSSA-N	693.756	4.272	5	40	KIBB	
Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1[N+](=O)[O-]	1866009	AUKGENCXEZIHHG-UHFFFAOYSA-N	509.613	4.054	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@@H](c4ccc([N+](=O)[O-])cc4)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1OC	1874842	WFTDSAQLBKEKTL-GIGWZHCTSA-N	540.576	4.021	5	40	KIBB	biogenic
Cc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	97947933	MBBBLYHNWAVQCJ-UHFFFAOYSA-N	546.532	4.478	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccc(C)c(C)c1	101173321	RPZXFCLLXGMKKR-ZXPTYKNPSA-N	510.550	4.134	5	40	KIBB	
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc2)N3)C1	102080043	LOKXNVJKPPCNGN-NRFANRHFSA-N	522.539	4.244	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1	260761338	TZADAFHXAMXLDM-JOCHJYFZSA-N	552.653	4.040	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565077	HPVHMXFRUCFCCB-DPQOWFAMSA-N	508.918	4.349	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408733623	MUWTUEKZTQXETA-AWCNIVANSA-N	594.001	4.349	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408956637	ZHHOGTATIMLWFF-VVNKCDPRSA-N	596.017	4.247	5	40	KIBB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)cc1	409107747	UGKLYQAQZGEMOH-CXUHLZMHSA-N	522.333	4.137	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409131812	YDYXFNXGLIPHAM-FYJGNVAPSA-N	562.000	4.121	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409178301	KNLHRKSFRBIAPR-JAYSWQADSA-N	604.597	4.192	5	40	KIBB	
CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409229854	AONGWJICEGPIHX-LICLKQGHSA-N	537.310	4.090	5	40	KIBB	
CCC[C@@H](CNC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	3308685	UWWVDJYUGKYFSG-AWEZNQCLSA-N	517.387	4.162	5	40	KIBB	
CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	9543566	HHUNZJAPSQVVMH-UHFFFAOYSA-N	505.483	4.490	5	40	KIBB	
COc1ccc(N(CC(=O)NCCOc2cccc3ccccc23)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	223521389	HYSZKMXLXMOCLN-UHFFFAOYSA-N	549.605	4.456	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	261078464	QVEQXVAXPWINDO-LXFBAYGMSA-N	580.707	4.224	5	40	KIBB	
O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1[N+](=O)[O-]	408648909	CVOMDRYMUNCVAO-DDBVPJQNSA-N	537.355	4.231	5	40	KIBB	
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	163622482	OEFFVYUAXOTMOT-KAKTVLCNSA-N	632.798	4.370	5	40	KIBB	
CC(C)CSc1nnc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)s1	222693752	WTVIQMRUJLSGHX-UHFFFAOYSA-N	507.619	4.028	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1	260769738	HUUBCKZCZWXUJF-OAQYLSRUSA-N	582.679	4.131	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408649589	YJQMKIIRLBIZEM-IAGOWNOFSA-N	504.326	4.317	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408685929	QJOZPWIOQBHGDI-VMDGZTHMSA-N	500.895	4.135	5	40	KIBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1I	14009677	ULMPOLWEWMYYQX-UHFFFAOYSA-N	506.119	4.089	5	40	KIBB	
CCOc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)c1	102759662	IWQXEEHDZDOYMZ-MVERNJQCSA-N	549.536	4.070	5	40	KIBB	
CCc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)cc1	224856564	YSGWTPTYKXBESN-UHFFFAOYSA-N	511.600	4.241	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409099106	SAUVVQQDAFWSAF-GOWBIRFASA-N	654.126	4.324	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409194973	NXVOOHVQLYSWAY-BUVRLJJBSA-N	591.602	4.302	5	40	KIBB	
CC(C)(C)c1ccc(Cn2nnc3c(O)nc(C4CCN(C(=O)c5ccccc5[N+](=O)[O-])CC4)nc32)cc1	13083136	RNSNBKWNGDHFGG-UHFFFAOYSA-N	515.574	4.201	5	40	KIBB	
COc1ccc(N(CC(=O)N(C)Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	30871298	KLWYCKISDZERNM-UHFFFAOYSA-N	517.991	4.419	5	40	KIBB	
COc1ccc(CCn2c(=N)c(C(=O)N[C@@H](C)c3ccccc3)cc3c(=O)n4cccc(C)c4nc32)cc1OC	101103168	LMDBLILZXQVMIS-FQEVSTJZSA-N	537.620	4.188	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222550583	CMSGJLWQTFNWJQ-GDLZYMKVSA-N	604.660	4.315	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222955889	SXAQVYHUXCAYEQ-JOCHJYFZSA-N	552.653	4.124	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224189102	HWOBOTKCHQGLPR-AREMUKBSSA-N	552.653	4.042	5	40	KIBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408565110	BFGQOVFZSXJJCI-RHLLLVCUSA-N	508.918	4.395	5	40	KIBB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)c1	409097384	IHJGAJBSQYMWBN-CBYYHRJHSA-N	603.682	4.045	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409106913	NLXAGQAWJVFOKH-LAUBZIAYSA-N	619.744	4.019	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)o1	409275194	SLMUYHXSHFRHCP-YDZHTSKRSA-N	519.535	4.485	5	40	KIBB	
COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]32)cc1	409336115	SHJXJLGBPJONAM-JYIOINSGSA-N	540.528	4.442	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	8443337	ZHKHYCCEVOIRRU-FQKMCRJQSA-N	616.608	4.416	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225477838	VMLHFAIPSQOKFQ-HHHXNRCGSA-N	614.696	4.065	5	40	KIBB	
COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408570102	YYMPKSACQIPVNC-GJECAEJISA-N	583.395	4.467	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2cccnc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408630957	YLPQTWOFESNPID-UHFFFAOYSA-N	589.630	4.071	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	9907963	VJILMXODYKFLSV-UHFFFAOYSA-N	516.554	4.295	5	40	KIBB	
CC(C)CCSc1ccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	12526979	NPAGIGVKTVSBLX-UHFFFAOYSA-N	500.621	4.280	5	40	KIBB	
COc1ccc(CCn2c(-c3cc(OC)c(OC)c(OC)c3)nc3oc4ccccc4c(=O)c3c2=O)cc1OC	102581325	VQBITJJXDSIMCK-UHFFFAOYSA-N	544.560	4.456	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	224116873	FEBFMBPUFPJRJE-OAHLLOKOSA-N	522.396	4.077	5	40	KIBB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl	33541513	IVPJJPHIJGCUNE-UHFFFAOYSA-N	517.991	4.437	5	40	KIBB	
COc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1	105352749	YQPFKZSJBDGSCA-UHFFFAOYSA-N	588.690	4.293	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222724917	ISWRJNOXQJIARP-VWLOTQADSA-N	607.516	4.362	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	260900670	DSXMJMURSINCHY-PKTZIBPZSA-N	566.680	4.431	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408641069	JKTWFKQWWGEIEV-IRXDYDNUSA-N	504.326	4.317	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	408685399	PHZNREUCSAEIPD-BJZITVGISA-N	500.349	4.336	5	40	KIBB	
CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408919754	BYTMGQLCLDDFSK-XQJRBFNUSA-N	604.504	4.285	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1C	409349361	QDQHEBGRBMCDBG-CQSZACIVSA-N	502.984	4.390	5	40	KIBB	
CCCCOc1ccc(C(=O)/N=c2\c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CCC)cc1	11691337	RFUBRCUAYDTSRI-QCWLDUFUSA-N	502.571	4.156	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O)N1CCCCC1	205789558	QTWNSXIUKKJEHF-UDWIEESQSA-N	512.500	4.344	5	40	KIBB	
CCOc1ccc([C@H](C)NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	216301787	VTDOFGHJAACULL-IBGZPJMESA-N	527.599	4.383	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223896454	CVHKCRCWYCEEET-FQEVSTJZSA-N	617.522	4.496	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409252421	XTOQKBCWYVEPSJ-CIAFOILYSA-N	611.405	4.485	5	40	KIBB	
CCCCCCn1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc21	101095138	UEDUQWZJCPXGFA-UHFFFAOYSA-N	515.433	4.304	5	40	KIBB	
COc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	104014700	JFFLXPGBKYMXLG-ZYQDXHPFSA-N	544.951	4.411	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	222925881	CUQVXZHTLPGERQ-HNNXBMFYSA-N	589.498	4.008	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225527908	CEWPMKIGYMXSAA-SSEXGKCCSA-N	600.697	4.485	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408565309	JQBVXXIWVJRYGE-DVKBMCPXSA-N	553.369	4.458	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409149861	SNPODXXTRHWZGK-YUMHPJSZSA-N	647.666	4.133	5	40	KIBB	
CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)cc1	409326326	AGMISHOLJSZPLO-NDENLUEZSA-N	501.586	4.478	5	40	KIBB	
CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	97982570	CMPSFGKUQBEKRG-UHFFFAOYSA-N	525.495	4.168	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(F)cc1	111470351	QXPAXQVJFJARDW-PNZYDNNZSA-N	563.563	4.114	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	260911981	QYAVPCRGRVBGON-PKTZIBPZSA-N	566.680	4.431	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	409097692	GZTUEHAINHUTMP-WLPTYJMBSA-N	698.577	4.427	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409273738	RYKRPPQNWXVFCB-UNDLXJOSSA-N	633.771	4.265	5	40	KIBB	
COc1ccc(NC(=O)c2ccc(NN3C(=O)c4ccc(Br)cc4C3=O)c([N+](=O)[O-])c2)cc1	24605413	GMSMEYYLJCIIRA-UHFFFAOYSA-N	511.288	4.241	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1	105484438	VNSZAWBOGALCQA-IHAPDJFTSA-N	541.626	4.334	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409100959	WDLILEHZDVXTKT-YJADQXIJSA-N	594.074	4.301	5	40	KIBB	
COc1ccc(-c2c/c(=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(O)nn2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	29748827	DVUDCZOCZFKEJQ-IADYIPOJSA-N	569.534	4.100	5	40	KIBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)O	100008023	BAAQJHJKLIUOHL-SNAWJCMRSA-N	529.166	4.344	5	40	KIBB	
CCOC(=O)[C@@](O)(c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(F)(F)F	102414105	ONZDELYGNQCEJM-DEOSSOPVSA-N	591.524	4.395	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033213	NYUDOUFGSORCSR-CWPZDHDOSA-N	661.689	4.225	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O	409377457	IGNOUMZCCYUTKO-SFTDATJTSA-N	577.329	4.385	5	40	KIBB	
CCOC(=O)[C@H](OC(=O)c1ccccc1)c1cc([C@@H](OC(=O)c2ccccc2)C(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-]	4265513	UWIVUDMDGZKSQM-DNQXCXABSA-N	580.502	4.425	5	40	KIBB	biogenic
CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4ccc(Cl)cc4)n32)CO1	9345259	YXCZODJPLIJCQN-UHFFFAOYSA-N	500.009	4.222	5	40	KIBB	
C[C@H](Nc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-])c1ccccc1	9891925	UXOCIACOHDGLFY-SFHVURJKSA-N	511.560	4.187	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(CSc2ccccc2)cc1)S(C)(=O)=O	14153602	DHDBCHXOGWPFGR-UHFFFAOYSA-N	501.586	4.300	5	40	KIBB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	19941496	KPQRGJHPIOUMTO-RUZDIDTESA-N	530.633	4.096	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	21578407	LKIXFHFHCZRRSB-UHFFFAOYSA-N	514.991	4.320	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1Cl	100841372	DZUSYHKUVKCYCN-XXMKCSCWSA-N	580.018	4.246	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	101128882	JDEKMCAUEFMCIR-ZLNRFVROSA-N	554.353	4.426	5	40	KIBB	
CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1	101202853	FQNHOCGMAWGFMS-DSITVLBTSA-N	503.511	4.226	5	40	KIBB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2C=Cc4ccccc4[C@@H]32)cc1	101231546	JNQMUKCDYNLRIY-QYOOZWMWSA-N	537.528	4.170	5	40	KIBB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1	103101815	ANFKGZGPQQEKBZ-UHFFFAOYSA-N	533.946	4.243	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(Br)cc1	103893200	VHRSWRKFFMHIJT-UHFFFAOYSA-N	517.327	4.213	5	40	KIBB	
O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112239912	NNVSXSZNMYLBOM-UHFFFAOYSA-N	550.015	4.300	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NCC(C)C	260926944	VSXVMWSYIXNJNA-HSZRJFAPSA-N	566.680	4.288	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	409012515	ILWRMNVMTIEZTP-XQNWCSQWSA-N	603.653	4.380	5	40	KIBB	
CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)ccc1Cl	409158309	YBYXWCLAGINOPB-VCHYOVAHSA-N	503.920	4.490	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1N1CCOCC1	409207145	PPRPRDLOKBJDPC-HZHRSRAPSA-N	534.550	4.366	5	40	KIBB	
COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCc2c[nH]c3ccccc23)cc1OC	2860199	UCBPMRKGZBYFNY-BUVRLJJBSA-N	514.538	4.223	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223530373	GNACUBOKAGAFFL-AREMUKBSSA-N	631.549	4.208	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1	261013393	TYUGPTNCFQEXHK-GDLZYMKVSA-N	638.743	4.077	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C[C@H](C[C@H]5c5ccccc5)[C@H]4C3=O)c2)c1	408686220	MXMAQQBEZJJIHH-KHUHPIKESA-N	569.570	4.328	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1	408978908	OMLSRWIGPJBSPP-MFCBUNOESA-N	570.627	4.108	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1-c1cccc([N+](=O)[O-])c1	409136029	XNIMOVCCJORUIW-UHFFFAOYSA-N	509.329	4.209	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)cc(OC)c3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1	409399105	FUTSVSILINGXFZ-LZYBPNLTSA-N	573.312	4.026	5	40	KIBB	
Cc1c(NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	19855860	KMSDMBLHMQHOJA-UHFFFAOYSA-N	504.362	4.500	5	40	KIBB	
CSc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccccc4)c3)CC2)cc1	20275293	OPGPZQCXILLZCF-UHFFFAOYSA-N	512.657	4.482	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(F)c(F)c1	100823313	UVTJJWRUUANZSJ-QFMPWRQOSA-N	506.509	4.350	5	40	KIBB	
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(I)cc1	106758197	CWNPCBJLNNQMJB-UNOMPAQXSA-N	551.362	4.273	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	112254030	MEOUEFSKHMAWQZ-UHFFFAOYSA-N	539.488	4.465	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224711267	AVGSDUDATCYSFU-QFIPXVFZSA-N	552.653	4.042	5	40	KIBB	
CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)NC1=S	409005477	DYNCRIIQGFBMGD-SXGWCWSVSA-N	635.221	4.461	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	100305246	NNKYXTATLRASCM-ABBNRAPFSA-N	585.638	4.294	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1	101019454	KYFUZTFZFVBVRG-MFCBUNOESA-N	616.608	4.416	5	40	KIBB	
CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c1C	102975077	KBLHVAKSXNPYRI-IBGZPJMESA-N	600.650	4.361	5	40	KIBB	
CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(OC)cc(OC)c4)CC3)cc2)cc1[N+](=O)[O-]	104146516	XOHFDXDBXHUIAB-UHFFFAOYSA-N	534.569	4.225	5	40	KIBB	
COc1ccc(N(CC(=O)NCc2ccccc2CN2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224816471	VAGJAQHFPBOCSN-UHFFFAOYSA-N	566.680	4.409	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225085280	FOLDIHJGANQNCE-HHHXNRCGSA-N	596.706	4.441	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1	260931872	LNJHFKCGWNFYSE-MUUNZHRXSA-N	580.707	4.082	5	40	KIBB	
COc1cc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(OC)cc1Cl	408622054	TXBZEPCKVLTQOV-UHFFFAOYSA-N	505.936	4.099	5	40	KIBB	
Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21	36307717	ADMFIICMWZIGRN-QSGNWFJVSA-N	500.580	4.425	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223004576	UFHHJEPZUKFPKH-HSZRJFAPSA-N	566.680	4.432	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224533488	JJSKRAYMIMIILM-HHHXNRCGSA-N	612.705	4.059	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1	260777250	YXWUEIHBLAMOGO-JOCHJYFZSA-N	552.653	4.040	5	40	KIBB	
CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)CC1	408635186	XUASDYXDURVLEI-CPNJWEJPSA-N	500.968	4.003	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@H]1c1ccccc1Cl	408996288	CUXIGQSFVHNQJX-NLZIUFDSSA-N	555.056	4.206	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	409085952	PHLCJSICUYPLEY-QPJBPQEWSA-N	630.635	4.202	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409197946	SKTMIYPONYXZIC-SSDVNMTOSA-N	564.532	4.237	5	40	KIBB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@@H](C)c4ccccc4)c3)CC2)cc1	4091905	PQZCDQSCJVQSTE-IBGZPJMESA-N	523.615	4.237	5	40	KIBB	
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)C(=O)N(C)C1CCCCC1	12565403	QXBNSZLJMIUJNB-OAHLLOKOSA-N	523.995	4.385	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1	13787703	BJUJRUBMXKWMAE-SDHOMARFSA-N	519.510	4.062	5	40	KIBB	
CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	59331821	BDGHXMKAVWADCX-UHFFFAOYSA-N	518.039	4.448	5	40	KIBB	
CCCn1/c(=N\C(=O)C(c2ccccc2)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	103627848	QLYVFPHQCSLJCE-MDVFONAFSA-N	520.589	4.495	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222466921	VPXULTNOYRKBJP-MHZLTWQESA-N	566.680	4.431	5	40	KIBB	
CC(C)(C)c1ccccc1OCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223674184	KXQFVJGCQCMYPW-UHFFFAOYSA-N	511.600	4.283	5	40	KIBB	
O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)Nc1cccc([N+](=O)[O-])c1	408627295	ZFDQGPSIWDBFRR-UHFFFAOYSA-N	501.948	4.013	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1	409108661	YESQUFRZYLIDPL-ZUCAMLDZSA-N	677.761	4.459	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCc4ccc5c(c4)OCO5)cc3c3ccnc2c31	70708240	GPJYISQEXSSZAK-MRXNPFEDSA-N	551.555	4.422	5	40	KIBB	biogenic
CCCCOc1ccc(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CCC)cc1	103001433	RFUBRCUAYDTSRI-JVCXMKTPSA-N	502.571	4.156	5	40	KIBB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21	409019805	XJKDSPKNAXQADH-XQNWCSQWSA-N	633.679	4.309	5	40	KIBB	
CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1	224821497	HLJRJWPMKHNEAO-UHFFFAOYSA-N	503.964	4.023	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	409100110	UVOXVCYUOXTZHH-QEYQTOMISA-N	556.644	4.174	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCc4ccncc4)cc3c3ccnc2c31	8792220	CKWKWCKQEJWZKS-MRXNPFEDSA-N	508.534	4.088	5	40	KIBB	biogenic
CCc1ccccc1Nc1nc(N)nc(C[N+]2(Cc3nc(N)nc(Nc4ccccc4CC)n3)CCCC2)n1	12585963	BFCRWXUHFRUTAV-UHFFFAOYSA-N	526.673	4.144	5	40	KIBB	
COc1cc(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c([N+](=O)[O-])cc1OC	25423475	RZRBPRWFSHEIKB-IBGZPJMESA-N	513.890	4.393	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	44802964	NPKDCFVLPKKEDV-UHFFFAOYSA-N	503.964	4.077	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)cc1[N+](=O)[O-]	100311413	CINDKSCJFSEYSG-UHFFFAOYSA-N	519.171	4.351	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc2c1CCCC2	100766406	FIYGEGLBLLMZJD-VJBWXMMDSA-N	533.562	4.373	5	40	KIBB	
Cc1cc(I)ccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	409148101	XFLJTBTULQKVGC-UHFFFAOYSA-N	551.362	4.342	5	40	KIBB	
COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)oc1ccccc12	3421561	LJMDPTVKSRCAFB-HNNXBMFYSA-N	505.483	4.193	5	40	KIBB	
COCCNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(SCc3ccc([N+](=O)[O-])cc3)nc2c1	33074120	LPDMUMPSRHFGCV-UHFFFAOYSA-N	504.568	4.022	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N\C(=O)c1ccc(OCC)cc1	101116909	GDJAKJAYNXPTIW-MXNGAVTRSA-N	546.624	4.089	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccccc1N1CCOCC1	105981576	JVYAMJLUFDXXTE-GRSHGNNSSA-N	537.381	4.413	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	163757836	PYWDOBUCPSGUCV-VPVLBGOXSA-N	638.452	4.458	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223400147	GQTRCCPQJPCHFB-MRXNPFEDSA-N	559.472	4.001	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O	225141199	ZOIBEGJELSRTLV-IBGZPJMESA-N	565.092	4.189	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1	260956432	VRPFMWRQBGOFGK-GDLZYMKVSA-N	594.734	4.390	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408647781	VOLQKAPYGALWGN-WGURPXDASA-N	569.570	4.475	5	40	KIBB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n21	409019804	XJKDSPKNAXQADH-RGFRMHDHSA-N	633.679	4.309	5	40	KIBB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1	13119867	JHLLNLBKLRBGNY-UHFFFAOYSA-N	512.563	4.400	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@@H]2c2ccccc2)cc1	98007346	UCILZYYBXHLFDX-DEOSSOPVSA-N	537.623	4.104	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	100618601	ZHUPGAXLZFCNQV-SUAMDDGLSA-N	589.626	4.292	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c2=O)=N1	104677075	LHFIWKMJPIWVNA-NFYDWNOTSA-N	563.632	4.339	5	40	KIBB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)C1	108828608	OHLSXGXNIWPXTD-BZUAXINKSA-N	523.995	4.099	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222466779	CVMKAZVUYWQGLN-MHZLTWQESA-N	566.680	4.431	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1	409102702	FAEZSEUSQQESLP-KEQCBNTKSA-N	631.692	4.157	5	40	KIBB	
O=C(CSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1	409337195	RKVZDGJKUMOELF-CUUCYKDWSA-N	524.555	4.386	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1	97955010	PYWWPPKIHWRSDQ-ZEVJAHDQSA-N	549.536	4.070	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1C=Cc3ccccc3[C@@H]21	100838380	YDJOMMZUXPHZHJ-NDBXHCKUSA-N	524.489	4.210	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1C	101176857	WPQNXJARQDQPJZ-JVCXMKTPSA-N	529.553	4.289	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O	102761338	XFVBHBUBBGWURV-KCZVDYSFSA-N	540.326	4.123	5	40	KIBB	
CN(C)S(=O)(=O)c1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	150406851	GJAZSMVAELGZSR-UHFFFAOYSA-N	621.015	4.351	5	40	KIBB	
CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@@H]2C=Cc3c(ccc4ccccc34)N21	248240518	BGGHYNLSYCAQES-XGAJZPNHSA-N	517.925	4.354	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408648612	WUKHHRBVNPRYNZ-YKQNXRHISA-N	614.567	4.384	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1	409103459	HDBVHVHKRLKOPQ-HTCWZNLXSA-N	647.735	4.451	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1cc(Br)ccc1OC	409104355	DIEJEMMYMVXJEY-MFUBYVTQSA-N	668.551	4.419	5	40	KIBB	
CS(=O)(=O)CC[C@H](C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409176618	SPAZHHLVKUTSHE-VWNXMTODSA-N	619.435	4.468	5	40	KIBB	
COc1ccc([C@@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1OC	1547138145	OFCPQOIQFHEHFT-BUJBYSRQSA-N	572.662	4.452	5	40	KIBB	
O=C(CCCn1c(SCc2cccc([N+](=O)[O-])c2)nc2cc3c(cc2c1=O)OCO3)NCc1ccc2c(c1)OCO2	2975640	XZYDKHJLSMBGCX-UHFFFAOYSA-N	576.587	4.151	5	40	KIBB	
O=C(Nc1ccccc1N1CCOCC1)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	12532861	WZZWONXZSCUBDR-UHFFFAOYSA-N	516.963	4.138	5	40	KIBB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	19941409	UCBBGDHEXDMUCB-RUZDIDTESA-N	530.633	4.042	5	40	KIBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1	44900647	WXFNCXARTLVHMZ-UHFFFAOYSA-N	515.491	4.356	5	40	KIBB	
COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112230892	SPCWYOYQQPOPER-UHFFFAOYSA-N	533.566	4.375	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	163669990	BLMRWAUIEUKIFJ-DQARITGZSA-N	646.634	4.424	5	40	KIBB	
O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5cc([N+](=O)[O-])ccc5OCc5ccccc5Cl)[C@H]34)[C@@H]2C1=O	170623245	KVEXQSMVCLEQPB-VVNJPCLLSA-N	628.084	4.135	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224095524	AWZMJMLSXASZCN-NDEPHWFRSA-N	580.707	4.144	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NCC(C)C	260952249	UBCHQNWEGLKGHC-MUUNZHRXSA-N	580.707	4.082	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	261051232	MAAYIIVQUXHJPB-IDISGSTGSA-N	584.670	4.055	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	408570109	ZAJMCDQICOYMOO-PBPLDAPSSA-N	503.530	4.468	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	408685401	PHZNREUCSAEIPD-LJHODMEESA-N	500.349	4.336	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(Br)c1O	102761334	XFVBHBUBBGWURV-TUNNFDKTSA-N	540.326	4.123	5	40	KIBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	102764474	UFSNNNOBEIVFME-PQNGQFLHSA-N	539.928	4.325	5	40	KIBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl	103060016	XZIHZGYDNIJEOJ-INIZCTEOSA-N	549.820	4.292	5	40	KIBB	
COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC	104655555	DAJGTTWWCLWZMA-ZJTZAHLKSA-N	555.612	4.253	5	40	KIBB	
CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1	105313611	HTAAWBVLVSIZSQ-UHFFFAOYSA-N	545.625	4.163	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	163671402	TZXDIFUYITZRCR-BUDNTJSZSA-N	676.660	4.433	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222908828	ZQTZDMPMJRQDAU-HXUWFJFHSA-N	603.097	4.314	5	40	KIBB	
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	225405500	CBQXRSXWHZFMKN-BJKOFHAPSA-N	534.623	4.329	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)c1	260882255	ISODQFWOETYOLA-HSZRJFAPSA-N	566.680	4.288	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O	408625170	IGRCUEXBZQPBFW-UHFFFAOYSA-N	513.616	4.476	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408833306	XRBRDXWZXMGRIW-QARYAGPDSA-N	593.589	4.123	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409038562	PGURIMGRAYELAY-OFJZKOHLSA-N	748.723	4.366	5	40	KIBB	
CCn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	409353910	UOEHVQFJZGWOQX-UHFFFAOYSA-N	509.375	4.425	5	40	KIBB	
Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c(Cl)c1	34895474	FOKJYFAYEANTOB-UHFFFAOYSA-N	502.040	4.384	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCCSc1ccccn1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	104708700	WSLDPTWOZYWPHD-UHFFFAOYSA-N	551.046	4.064	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223456915	PVOPDFVYRPCSEQ-NEKDWFFYSA-N	610.733	4.233	5	40	KIBB	
CN1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)N(C)C1=S	409050288	UCFFVPNWLWDSOF-SXGWCWSVSA-N	635.221	4.413	5	40	KIBB	
COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c([N+](=O)[O-])c1	409337459	UFPMOJJLKKJRQN-SHJZNDNSSA-N	536.591	4.255	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc(Cl)cc1Cl	101286958	HVYAVSRLZGPARR-WNSKRMHTSA-N	555.418	4.361	5	40	KIBB	
O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1[N+](=O)[O-]	103113503	FEFPGKQDJBQWLU-UHFFFAOYSA-N	524.338	4.498	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222921099	USYPZTWGIKFCNC-MUUNZHRXSA-N	610.733	4.482	5	40	KIBB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]43)[C@@H]12	245312057	SASMKRFOAOLSTI-KMUMGPNASA-N	535.603	4.031	5	40	KIBB	
Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)c(C)c1	409374486	QXPZVWDUKAAPFS-BKUYFWCQSA-N	510.572	4.032	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12	101075971	JIELLSOSXQTUFY-LWSSLDFYSA-N	559.376	4.386	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C	107671551	NUNFHSMNYGJYSE-JOCHJYFZSA-N	526.619	4.381	5	40	KIBB	
CCOc1ccc(CNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	113631890	JWVZVPOPMHQPKE-UHFFFAOYSA-N	548.017	4.476	5	40	KIBB	
CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223396307	PGLRHVBMJATRDE-DEOSSOPVSA-N	633.123	4.323	5	40	KIBB	
CC[C@]12C[N@+]3([O-])CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@H]4[C@@]56CCN5CC=C[C@](CC)([C@H]56)[C@@H](OC(C)=O)[C@@]4(O)C(=O)OC)C[C@@H](C3)[C@H]1O2	254216524	JTXQOORWDLJELA-OUCWGODESA-N	824.972	4.020	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408648608	WUKHHRBVNPRYNZ-IHMJZKOGSA-N	614.567	4.384	5	40	KIBB	
CCn1c(CNC(=O)COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-]	409154816	HMVQCFMJEZZRDU-UHFFFAOYSA-N	526.619	4.064	5	40	KIBB	
O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-]	409368227	PYPLDPZCLQAQDU-ISQHLFTMSA-N	520.295	4.142	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	44803011	AMMUAZWTAVLAAN-UHFFFAOYSA-N	517.991	4.385	5	40	KIBB	
CCCCn1/c(=N\C(=O)c2ccccc2C(F)(F)F)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	101176533	JYSSDFDGVVOVET-VAMRJTSQSA-N	512.488	4.386	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC	197320729	DEVJXBXVHXHUHW-YXDQGSNCSA-N	531.615	4.306	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224051320	KVAZUXQXNBSQJA-NDEPHWFRSA-N	580.707	4.144	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224981319	LKKWUMBVZJTLLE-FGZHOGPDSA-N	552.653	4.122	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1	408676433	DBFZQVUEFQBGTH-YBWGJNNCSA-N	583.597	4.002	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408983188	FYQZCKUJDQLTLV-FJNIOPPGSA-N	693.756	4.190	5	40	KIBB	
COc1ccc([C@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1OC	1547138146	OFCPQOIQFHEHFT-JKZMMRHISA-N	572.662	4.452	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1Cl	1787674	BYGRCQHXAQHEIT-LWUPDDLQSA-N	580.018	4.246	5	40	KIBB	
COCCCNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	16711577	YILAAUJGMGAMQV-XHPQRKPJSA-N	525.565	4.371	5	40	KIBB	
O=C(Cc1ccc(-n2c(=O)c3sccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1)Nc1ccccc1	20151607	XPONOBSJPQZALX-UHFFFAOYSA-N	512.547	4.352	5	40	KIBB	
COCCNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(SCc3cccc([N+](=O)[O-])c3)nc2c1	33074110	OZBRXICVTIIHAJ-UHFFFAOYSA-N	504.568	4.022	5	40	KIBB	
CCn1cc(S(=O)(=O)N2CCC[C@@H](c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)C2)c(C)n1	97948338	GKOBUIAELGABPY-CQSZACIVSA-N	564.619	4.308	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c4ccccc4C=C[C@H]32)cc1	100887633	ZGETZZNNHXRIDU-POTDNYQPSA-N	507.502	4.070	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1	101176863	UFXPLOSMLNAGDP-MXNGAVTRSA-N	560.607	4.098	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	103078474	PUYNXPPCHCIXJD-UHFFFAOYSA-N	547.442	4.435	5	40	KIBB	
Cc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc(-c2nc3ccccc3o2)c1O	105310795	SODDGTDZCYZNDO-UHFFFAOYSA-N	533.566	4.380	5	40	KIBB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)N4c5ccccc5C=C[C@H]4[C@@H]3C2=O)c(C)c1	247857511	DGPYGWKOWBDUQU-CQJMVLFOSA-N	508.534	4.240	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c2=O)=N1	409036255	BFPDGVWLSKDYHC-ABBNRAPFSA-N	555.612	4.286	5	40	KIBB	
Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12	6244793	ZJXGFUGQDFDWJZ-MHZLTWQESA-N	542.644	4.456	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(c3nc4c(S(=O)(=O)c5ccc(Br)cc5)nnn4c4ccccc34)CC2)cc1	102922319	OAAUTUFRASPXEN-UHFFFAOYSA-N	594.451	4.108	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222908194	VQTDXRBLYXXKEU-HHHXNRCGSA-N	566.680	4.165	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21	247313937	JIELLSOSXQTUFY-XQUALCHDSA-N	559.376	4.386	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(I)c(O)c([N+](=O)[O-])c3)c2=O)=N1	409041794	VQZCDGHBWSNLHK-JGZDWKDESA-N	683.908	4.459	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409205471	NKQWHESORWTACZ-YUMHPJSZSA-N	668.706	4.191	5	40	KIBB	
Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	13148185	CXCJERQGYYXNDE-OAHLLOKOSA-N	501.492	4.027	5	40	KIBB	
Cc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(F)cc2)cc1[N+](=O)[O-]	100816763	QPWBSWNQCTVHAQ-UHFFFAOYSA-N	546.584	4.234	5	40	KIBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	101226566	UFSNNNOBEIVFME-LGVFNWMJSA-N	539.928	4.325	5	40	KIBB	
CS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1	102775987	PYHGFSKKECFSCV-QFIPXVFZSA-N	535.003	4.160	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222467956	FKBKKXNKCMDUTO-FQEVSTJZSA-N	603.097	4.232	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222684374	ISYDQFZHQXFANF-HXUWFJFHSA-N	589.498	4.008	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	260911976	QYAVPCRGRVBGON-GOTSBHOMSA-N	566.680	4.431	5	40	KIBB	
CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409074436	LREVVCIWZRJFLH-UHFFFAOYSA-N	706.597	4.460	5	40	KIBB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(O)n5)c([N+](=O)[O-])c4)c(=O)n32)c1	409107319	OSCAWOBQSKXZGA-RLFCKUQXSA-N	633.708	4.059	5	40	KIBB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)cc2)cc1	3311303	PFSAQTBTIJUORS-UHFFFAOYSA-N	539.595	4.227	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	6227463	UCXZMHDXGFWISP-CRCYZHLCSA-N	589.626	4.292	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	6489375	DFHKMRJSKCCEMB-RGFRMHDHSA-N	585.638	4.294	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@H]3Sc4nc(S)sc4[C@@H](c4cc([N+](=O)[O-])ccc4O)[C@@H]3C2=O)cc1	16711915	SICVVHNLIJEGHR-BQFCYCMXSA-N	515.594	4.240	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565268	JFDALJTYOGSJGL-MQVPCNEGSA-N	508.918	4.349	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c(=O)n2[C@H]1c1ccc(C)cc1	409207020	YVFBWSGVWNHSJL-WPUHHHFCSA-N	556.600	4.202	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1	409400942	WBGUVQHYKMPCQC-GRSHGNNSSA-N	586.351	4.417	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)OC	205699495	PRUIZZXVZVQZFR-VCHYOVAHSA-N	598.371	4.386	5	40	KIBB	
CC(C)(C)c1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1	223526676	ALTGQNCLHMVJQU-UHFFFAOYSA-N	511.600	4.283	5	40	KIBB	
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)c(OC)c(OC)c2)cc1	408567731	HGTCWZODCJKMJI-GOSISDBHSA-N	509.382	4.474	5	40	KIBB	
O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1	408652194	HLYIUIPNGUBKCI-FPMFRTRJSA-N	522.344	4.127	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732132	SMCBGDLFLIICKJ-DQARITGZSA-N	630.635	4.311	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1	409397956	AJSAPCXBQUMREB-ZDLGFXPLSA-N	511.874	4.300	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	20239391	HPYBBAHXBDDUFQ-UHFFFAOYSA-N	519.963	4.408	5	40	KIBB	
CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@@H]2C[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)cc1	101175585	YZYXUQGPUKSYBA-CKBSPGBPSA-N	548.646	4.089	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccccc1OC	103751666	NIXXYQBDYHQENN-XQNWCSQWSA-N	585.638	4.294	5	40	KIBB	
O=C(CNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	105319722	WNZXJCUTHCCARP-MUUNZHRXSA-N	563.522	4.293	5	40	KIBB	
COc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1ccccc1Cl	112237374	AWHLJTHBUWKSEV-UHFFFAOYSA-N	570.027	4.473	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@@H](C)c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	222660545	HRBCBXRBAAZNAC-SFHVURJKSA-N	543.598	4.002	5	40	KIBB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223877122	JIJOKQUNLODTSK-JOCHJYFZSA-N	573.499	4.391	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732497	VUPPDMLTHQBATF-QUNTYYFUSA-N	615.664	4.412	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	408825345	CORPUXJFKUXMNQ-SUAMDDGLSA-N	619.652	4.301	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O	18100074	SYGWZMRGVYPKEI-KEZOAJOQSA-N	514.925	4.318	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408729671	HTYJHJNCYHROPR-MFUBYVTQSA-N	533.537	4.106	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409097419	IKDWLDWGRKINQP-RGFRMHDHSA-N	602.669	4.289	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	18166959	IUTWYLKQEPPCIC-QUMGSSFMSA-N	507.502	4.196	5	40	KIBB	
COc1ccc(CCn2c(=N)c(C(=O)N[C@H](C)c3ccccc3)cc3c(=O)n4cccc(C)c4nc32)cc1	101164203	VVFAGIGSVKHCBD-HXUWFJFHSA-N	507.594	4.179	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223043068	MUIVUNMJNMHCHQ-IBGZPJMESA-N	603.495	4.106	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224433449	XNHFJZDNPREUCH-AREMUKBSSA-N	631.549	4.290	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl	225800304	PZMHVOGAYCADES-UHFFFAOYSA-N	505.961	4.482	5	40	KIBB	
COc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c2)c(C)cc1[N+](=O)[O-]	245228300	ORSNTBHNMAVPBH-WINIVTDRSA-N	559.641	4.297	5	40	KIBB	
COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2	408615589	QYNYIDYMSOOXKS-UHFFFAOYSA-N	559.622	4.083	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408665971	ZTNIIWJKRGXYMY-BMHXQBNDSA-N	516.337	4.173	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408686862	SMRXKCCDQWOYNZ-PKOBYXMFSA-N	516.337	4.483	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409141680	JMARPKIXINXYEP-QFIPXVFZSA-N	526.619	4.381	5	40	KIBB	
COc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1	20153083	CMNQJFXPJFKUCR-UHFFFAOYSA-N	510.572	4.473	5	40	KIBB	
O=C(NC1CCCC1)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(SCc3cccc([N+](=O)[O-])c3)nc2c1	33269213	ZBPVFHIQLAYWRZ-NRFANRHFSA-N	508.600	4.448	5	40	KIBB	
CCn1cc(S(=O)(=O)N2CCC[C@H](c3nc4c5sc6nc(C(F)(F)F)cc(C)c6c5ncn4n3)C2)c(C)n1	97948337	GKOBUIAELGABPY-AWEZNQCLSA-N	564.619	4.308	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408684192	MYWQJIJGJDJMJN-JSNMRZPZSA-N	528.359	4.019	5	40	KIBB	
O=C1C[C@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(Cl)c(Cl)c1	97995436	LJPXYXKSFWCMPS-SFHVURJKSA-N	517.291	4.375	5	40	KIBB	
Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3O)nc2c1	112231238	AMGAQJSZFYUIRQ-UHFFFAOYSA-N	533.566	4.380	5	40	KIBB	
COc1ccc(N(CC(=O)NCCOc2ccccc2C(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	223759528	IPCMLDNHSSKCMJ-UHFFFAOYSA-N	541.626	4.426	5	40	KIBB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n21	408963648	IFPZEXKJHPICJB-RAWKODRKSA-N	659.717	4.319	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1	409094477	DHDPLGRCWXJHNG-JSXXSUDDSA-N	661.718	4.171	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409129761	USVDYOGKWAOYRY-REZTVBANSA-N	523.317	4.066	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(I)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	59953622	UANHMLODULYBST-UHFFFAOYSA-N	597.387	4.051	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)[C@H](C)Oc1ccccc1	103628828	CFUDTFKINGJNBZ-MHIKMWTMSA-N	514.582	4.226	5	40	KIBB	
COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cccc([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1OC	104658531	VWUTUMQIAABTCQ-SUAMDDGLSA-N	525.586	4.244	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222724856	ISWRJNOXQJIARP-RUZDIDTESA-N	607.516	4.362	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1	408776073	MYUPVJBVWCHIMJ-MFUBYVTQSA-N	592.611	4.469	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409182612	NDVOIJKNLBNELX-ZDGAQAAHSA-N	574.571	4.183	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3nncn3C)cc2s1	59855213	BSZCIFUGWVBYTA-UHFFFAOYSA-N	502.603	4.365	5	40	KIBB	
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	103123803	IDMYLFKCEPGPDR-UHFFFAOYSA-N	539.541	4.284	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	103603326	JJZUFVCEHILGBW-XOYGFPHKSA-N	594.074	4.301	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223733154	MAAYIIVQUXHJPB-JIPXPUAJSA-N	584.670	4.055	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1	408770162	UEWVSJRVASMSGS-GJFKPFFXSA-N	591.667	4.356	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409030770	FETWIZOWHAJLJI-DKOMQPSQSA-N	693.516	4.116	5	40	KIBB	
Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1[N+](=O)[O-]	14277136	OLULBDYSMBKRGK-UHFFFAOYSA-N	507.591	4.491	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)CCOc1ccc(Cl)cc1Cl	103629294	ZEGGXFYLJIWLNY-DXWSKYOLSA-N	585.444	4.208	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223053896	SLMNHDFJOXCBLI-QHCPKHFHSA-N	566.680	4.432	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260915879	ZEZCPYHBMAUEEY-OAQYLSRUSA-N	600.669	4.188	5	40	KIBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1	409380463	DXHHDFGIDPVTAA-UHFFFAOYSA-N	501.464	4.215	5	40	KIBB	
COc1ccccc1NS(=O)(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1	3044906	VPRUKWZBTOTOJX-UHFFFAOYSA-N	548.489	4.266	5	40	KIBB	
CN(c1ccc(OCC(=O)OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1)S(=O)(=O)c1ccc(Cl)cc1	102909145	HTQOUKHXZSBVIH-UHFFFAOYSA-N	591.023	4.244	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1	102975648	AJXFLQWZVWGNDD-OAHLLOKOSA-N	579.990	4.101	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC	105497562	MDOBKHPPENXTMZ-SUAMDDGLSA-N	616.608	4.416	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(OC)c(OC)c3OC)C2=O)cc1	105990089	UUJWSXITQVVYAS-NLJOTIRTSA-N	563.563	4.461	5	40	KIBB	
CO[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@@H]3O[C@H](c4ccccc4)O[C@@H]23)O[C@@H](C)[C@H]1O	254239102	XVSHGAAPBNVZEJ-USJVOEBFSA-N	728.703	4.131	5	40	KIBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1)c1cccc([N+](=O)[O-])c1	408641822	DAOQIDIFLXWIPJ-GOSISDBHSA-N	506.898	4.258	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1cccc([N+](=O)[O-])c1	408730510	HBBFBZXWFDBMNX-UPWSPCOFSA-N	630.635	4.311	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O)N1CCOCC1	409148712	ZZTKUQZYAIYBDN-BUVRLJJBSA-N	533.562	4.222	5	40	KIBB	
O=C(COc1ccc(Br)cc1Br)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	1841646	FFVSFKUGBINIHY-UHFFFAOYSA-N	577.232	4.427	5	40	KIBB	
O=C(COC(=O)c1cccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1)c1ccc([N+](=O)[O-])cc1	409177616	GXDQVSCPKARBCS-UHFFFAOYSA-N	637.513	4.383	5	40	KIBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223726542	YGSNFTBYSKJOTG-JOCHJYFZSA-N	564.664	4.266	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Br)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	260881589	OCEFDZZFYXRWKQ-AREMUKBSSA-N	661.575	4.297	5	40	KIBB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(OC)c([N+](=O)[O-])c3)S2)cc1	408785041	FMJXXPRJSUIRDJ-NXIIHZOPSA-N	511.341	4.370	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C	409011979	GXLDBJVYXXTPAY-HRIDGTDGSA-N	633.679	4.389	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C	409130431	HKZWACJZFVTCCP-JOCHJYFZSA-N	526.619	4.381	5	40	KIBB	
Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	19941474	AAQKDJHDNLXKLK-SANMLTNESA-N	528.617	4.148	5	40	KIBB	
N=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(Cl)cc1	101309025	QVSCQFHIRGXEIP-UHFFFAOYSA-N	511.390	4.317	5	40	KIBB	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1Br	102766638	SITBJMVEILNJBS-BHDDXSALSA-N	524.327	4.417	5	40	KIBB	
COc1cc(NC(=O)COC(=O)c2c(I)cc(I)c(N)c2I)c(C)cc1[N+](=O)[O-]	150395878	UGZARUYRCPJZAX-UHFFFAOYSA-N	737.026	4.103	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223400095	TUWGBFZGBUJQGY-NEKDWFFYSA-N	610.733	4.233	5	40	KIBB	
CC[C@@H](C(=O)Nc1nnc(SCc2ccccc2)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224549623	KGAHPXQYGRVFQI-KRWDZBQOSA-N	521.646	4.230	5	40	KIBB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O	409235785	QPIPYLMUHKXYBT-HZHRSRAPSA-N	500.511	4.268	5	40	KIBB	
CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	17306450	NUNUKWHQRXVEPL-UHFFFAOYSA-N	515.569	4.227	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)COc3ccccc3[N+](=O)[O-])CC2)cc1	104084305	BNAHARFNIBZROE-UHFFFAOYSA-N	545.017	4.085	5	40	KIBB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	108948050	BHLSSEXIZZKWNN-HKBQPEDESA-N	565.582	4.127	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224819114	ZXJAALXPXODMMT-FQEVSTJZSA-N	573.071	4.387	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NCC(C)C	260934051	XPBKBTAZGMXCOA-HSZRJFAPSA-N	566.680	4.288	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H](C)C=CC[C@H]4C3=O)cc2)cc1	408649943	LUUZJFSCLMTXJD-LVPRMVSMSA-N	617.636	4.108	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(Cl)cc1	9281808	MZTOJAJRLLSARN-BGABXYSRSA-N	522.989	4.036	5	40	KIBB	
Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	19941339	BEJBZDUBVWYNCW-AREMUKBSSA-N	528.617	4.148	5	40	KIBB	
COc1c(Br)cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1	20528971	FKCBJPVBYDEHCU-UHFFFAOYSA-N	505.075	4.298	5	40	KIBB	
CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1	105317028	VTFVBXVQSZARIU-UHFFFAOYSA-N	527.990	4.304	5	40	KIBB	
O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112240063	MUTTTXCGMWPRGQ-UHFFFAOYSA-N	550.015	4.300	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224789828	PBWCGKFVKKLKQB-SANMLTNESA-N	519.598	4.455	5	40	KIBB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)c(C)c1	408644710	HJTKJTBQCQJLIV-NRFANRHFSA-N	516.506	4.210	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)c4ccccc4C3=O)cc2)c1	408647858	VUEGTSNFRYWRHU-UHFFFAOYSA-N	579.521	4.359	5	40	KIBB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21	409019094	VRHKYCHWJPHJHT-CSJROMOCSA-N	619.652	4.000	5	40	KIBB	
COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4c(C)n(C)n(-c5ccccc5)c4=O)c(C)nc32)cc1	2318993	VIJHXXULQSSGHM-UHFFFAOYSA-N	543.587	4.388	5	40	KIBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc(Br)s1	3459831	LZKDCNQINGYVDW-CYBMUJFWSA-N	535.825	4.350	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)cc1	9348904	VEJLLEOZYHEJOX-POTDNYQPSA-N	507.502	4.196	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@]2(C(=O)Nc3ccc(Cl)cc32)N2CCC[C@@H]2[C@@]12C(=O)Nc1ccccc12	97954536	RPTKCNLFCBXWBF-SAYRZEODSA-N	528.952	4.263	5	40	KIBB	
O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1	408672226	ZWIOOKBTBSGNLB-UXRGOTNFSA-N	579.392	4.304	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1	409031006	GFNOPBMSTHAMJU-ABBNRAPFSA-N	585.638	4.294	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037351	NHSRVHQWKHCGOI-ZSWKDXAVSA-N	661.689	4.225	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1ccc(Cl)cc1	409094176	CRAXQHRYZZRFQP-MRCZTLKWSA-N	605.898	4.133	5	40	KIBB	
C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C	409137977	XRFMBLFQJLYREV-CQSZACIVSA-N	523.600	4.069	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1	409147381	WFPQAUGQLMAUTH-CCVBWGSMSA-N	677.761	4.290	5	40	KIBB	
Cc1cc(I)ccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1	409159908	VVHDOWVQQKQEJI-LJQANCHMSA-N	594.435	4.484	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)C(C)(C)Oc1ccc(Cl)cc1	103001559	AJLGKYDWRRZJSN-MKCFTUBBSA-N	560.994	4.406	5	40	KIBB	
COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OC)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1	104657446	JZECSNNBCFLTSW-UPWSPCOFSA-N	555.612	4.253	5	40	KIBB	
O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	105303775	ADFQDIRMLUYZOK-UHFFFAOYSA-N	526.443	4.387	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1	408642821	NYUPPQCWRPELLI-ROUUACIJSA-N	516.337	4.483	5	40	KIBB	
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(Br)c2)cc1	409024955	OCMRZUFWIOLIDY-UHFFFAOYSA-N	504.362	4.500	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Cl	409244268	AKGARBFHJAAMTH-VGOFMYFVSA-N	512.725	4.391	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1	1824446	DZZAOBWWBICRFG-IGSWSUAKSA-N	533.537	4.106	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1	2150534	MGYJKFKSJWDLDZ-LBNVMWSVSA-N	510.550	4.012	5	40	KIBB	biogenic
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSc1ccc(Cl)cc1	20451984	LVPPQESIIHZEHB-UHFFFAOYSA-N	506.005	4.352	5	40	KIBB	
CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1	59331699	JTYFVZSAMQNFLN-UHFFFAOYSA-N	521.599	4.286	5	40	KIBB	
CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)c1	97954871	IWQXEEHDZDOYMZ-ZEVJAHDQSA-N	549.536	4.070	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(c3ccc(Br)cc3)=NN(c3ccccc3)[C@H]2C1=O	101070639	GPEIUVFPXJHHIO-RBBKRZOGSA-N	505.328	4.448	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	163656212	JVZIPPPRCVTIQF-BUDNTJSZSA-N	676.660	4.433	5	40	KIBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224678260	GNGSTZGRLGAQBK-NRFANRHFSA-N	582.654	4.405	5	40	KIBB	
CN(CCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cc2cccc(Cl)c2)n1	257341157	ZJBNSVKZAHJZBM-UHFFFAOYSA-N	566.039	4.427	5	40	KIBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3nnc(-c4cc(Br)ccc4O)n3-c3ccccc3)cc21	408541586	CFJMGYVCEBSMBV-UHFFFAOYSA-N	610.450	4.232	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1cccc([N+](=O)[O-])c1	408730511	HBBFBZXWFDBMNX-ZJTZAHLKSA-N	630.635	4.311	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1	409361387	RNRVSKRSKRFUOZ-CQSZACIVSA-N	502.984	4.390	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	2665738	VHMHSIFSBGAIMK-OFCKJYIJSA-N	583.651	4.231	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc(-c2ccccc2)cc1	100820953	GVPJHEKENXEVIG-YDBXTEJPSA-N	548.599	4.413	5	40	KIBB	
CCCC12CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC(CCC)(CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C1)C2=O	102840784	ZRFSLTICKFTGPJ-UHFFFAOYSA-N	612.552	4.073	5	40	KIBB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225538934	WKVMLLSNVKTYMM-HXUWFJFHSA-N	573.071	4.385	5	40	KIBB	
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)C1=O	409196941	SUOWUHUYPGYYBM-ZGFXFUDXSA-N	564.594	4.058	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCc4ccccn4)cc3c3ccnc2c31	8792422	XQMURXUAYTWVCH-MRXNPFEDSA-N	508.534	4.088	5	40	KIBB	biogenic
O=C(NC(=S)Nc1c(I)cc(I)cc1C(=O)O)c1cc([N+](=O)[O-])ccc1Br	150341842	WSMUKZSTXXKYLN-UHFFFAOYSA-N	676.024	4.392	5	40	KIBB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	205680568	BJIIYEOENAKZDY-VCHYOVAHSA-N	598.371	4.386	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224112155	YLBMCCKGEMRSLX-AREMUKBSSA-N	582.679	4.051	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1	408784057	QXLFRJVSVMYPJG-XXMKCSCWSA-N	561.641	4.347	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409098229	OUHQNGWJGNRBSN-SJJVXOANSA-N	617.709	4.435	5	40	KIBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)cc1	409165135	SZFWTPJWXGFIAI-CIAFOILYSA-N	536.522	4.474	5	40	KIBB	
CC1(C)C[C@@H]2C[C@@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O	101376195	JWRZZLCHFOAEFJ-QSSSMNPKSA-N	502.571	4.190	5	40	KIBB	
C[C@@H]1C[C@@H](C)CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)C2=O)C1	113562485	KQVRIDOKPGLXNC-SEPYTNNBSA-N	569.661	4.262	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223685685	WIYKUCAARCIKKM-SKCUWOTOSA-N	598.697	4.363	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223711522	KEWQCLLJBMDYFC-RUZDIDTESA-N	637.542	4.452	5	40	KIBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224678152	DRNZSDKWDYDMBO-NRFANRHFSA-N	582.654	4.405	5	40	KIBB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	6135317	HJGHTBKLSYAPOH-HHHXNRCGSA-N	542.644	4.402	5	40	KIBB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	20009917	FFQFIAADZIVXLL-FQEVSTJZSA-N	503.964	4.094	5	40	KIBB	
Cc1nn(-c2ccccc2)c(C)c1P(=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N1CCOCC1	13303008	TVTUFZOVNLKHOC-UHFFFAOYSA-N	510.535	4.050	5	40	KIBB	
CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1	32127893	VRQSFSNHBHYEHN-UHFFFAOYSA-N	521.599	4.286	5	40	KIBB	
O=C(N[C@H]1CCCC[C@H]1Cc1ccco1)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	36277646	KHPQFBFIBZRUKQ-OEOAZWSVSA-N	517.538	4.018	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	163730815	CROZLOUOYCLTBN-MVQVQHCTSA-N	624.469	4.336	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223443846	MFFBWKAIIHOOLE-HSZRJFAPSA-N	626.732	4.449	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	260857391	HCHDVEXUCDXXNP-AREMUKBSSA-N	617.124	4.188	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260984587	BNOBEESDCGDQCB-LXFBAYGMSA-N	580.707	4.224	5	40	KIBB	
COc1ccc(Cl)cc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C	409140543	FKDBQDZCLQUTPR-FQEVSTJZSA-N	533.010	4.243	5	40	KIBB	
O=C(CSc1nc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2s1)Nc1ccc([N+](=O)[O-])cc1	409335177	KCPJMVIDGKUWSK-GETUCHRZSA-N	506.565	4.247	5	40	KIBB	
CCOC(=O)[C@@H](OC(=O)c1ccccc1)c1cc([C@@H](OC(=O)c2ccccc2)C(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-]	68563112	UWIVUDMDGZKSQM-PSWAGMNNSA-N	580.502	4.425	5	40	KIBB	
CC(=O)[C@@H]1[C@H]2c3ccccc3O[C@@]1(C)N=c1s/c(=C/c3ccc(COc4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n12	105543135	PIOCSBHMIJQMNL-FOCUCTMHSA-N	565.991	4.009	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1	224149741	ZPIUGENKECQKOF-QHCPKHFHSA-N	566.680	4.288	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225295112	OMJORCKGTVWSNH-NRFANRHFSA-N	559.472	4.001	5	40	KIBB	
COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408566672	OIGLHQDAYDALLZ-ZNCVFPSASA-N	538.944	4.358	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408926324	TUAJPKLUKBJAEV-FZEVDNDPSA-N	622.659	4.438	5	40	KIBB	
Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)cc1	409143108	MYSBOOUZFUJSKQ-OAHLLOKOSA-N	537.627	4.377	5	40	KIBB	
COCCn1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21	3165391	RWOLXRDHFVRUFZ-UHFFFAOYSA-N	590.574	4.441	5	40	KIBB	
COc1ccc(CCn2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccc3c(c2)OCO3)cc1	3211995	NBOKQRYSWXCNSW-UHFFFAOYSA-N	505.534	4.323	5	40	KIBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1	247857510	DGPYGWKOWBDUQU-ASDGIDEWSA-N	508.534	4.240	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3cc(OCC(=O)NC[C@@H]4CCCN5CCCC[C@H]45)ccc3c3ccnc2c31	524732215	MZIRRSIMSFUXMY-YADARESESA-N	554.647	4.369	5	40	KIBB	biogenic
COC(=O)c1c(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)sc(C)c1C	103545387	BEEMOXPCOZCOQX-YCAMKHIRSA-N	557.584	4.458	5	40	KIBB	
COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC	104708789	RWMBUICUKQWIHN-UHFFFAOYSA-N	549.989	4.416	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	105501089	IDXYUTWWVAMBPH-ZJTZAHLKSA-N	599.621	4.014	5	40	KIBB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222634778	QUOPFTLNFNEHHV-OAQYLSRUSA-N	552.653	4.122	5	40	KIBB	
CC[C@@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2	223120783	DBSVPJXVKCBCTG-JOCHJYFZSA-N	503.621	4.296	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225501940	USERCYWOJFRPEN-HHHXNRCGSA-N	584.670	4.056	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1ccccc1	8400115	LJHOEWQCXXEJTQ-UOOXJCEYSA-N	580.666	4.444	5	40	KIBB	
COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(OC)c1	103791097	CWAJNPLHECVQCV-FQKMCRJQSA-N	525.586	4.244	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223489357	YUYQOUXISHMWAI-HSZRJFAPSA-N	626.732	4.449	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	260790188	NFZYAYMURDACDI-MRXNPFEDSA-N	573.499	4.308	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](c5ccccc5)CC[C@H]4C3=O)cc2)c1	408690018	TVIPMCRWGDVHRI-HUVFLSCGSA-N	557.559	4.472	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1	408853719	WZLXMOUJMFLHLS-KDSDTBODSA-N	540.601	4.181	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	409098596	IWHODBHXUFBMTH-BBZDMTTGSA-N	728.603	4.441	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409194464	LVNOSVCDCCPBCM-UFFVCSGVSA-N	500.529	4.418	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409275203	ZMKOPVXVIPHRBM-CFRMEGHHSA-N	592.586	4.305	5	40	KIBB	
CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC[C@@H]3CCCO3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	101404884	VRRDXWRTCKCXKD-LBNVMWSVSA-N	579.606	4.132	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222908126	VQTDXRBLYXXKEU-MHZLTWQESA-N	566.680	4.165	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc3c(c1)OCO3)N1C=Cc3ccccc3[C@@H]21	248112441	OGDFZUCTTIDXJD-ROXDYWFKSA-N	523.501	4.030	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)c1	408657544	UMUZQFUEORJYDW-CLJLJLNGSA-N	583.553	4.014	5	40	KIBB	
CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4cccc(Cl)c4)n32)CO1	9347727	YWLDKTNDHXNLIZ-UHFFFAOYSA-N	500.009	4.222	5	40	KIBB	
CCOC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(Cl)c1	22429800	NIAWUBYRNWVRPZ-UHFFFAOYSA-N	517.947	4.259	5	40	KIBB	
CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1	32127642	VEKCJMNYTLMJTK-UHFFFAOYSA-N	521.599	4.286	5	40	KIBB	
O=[N+]([O-])c1ccc(S(=O)(=O)c2cccc(S(=O)(=O)c3cccc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)c3)c2)cc1	59101049	LONPPVKNKHFCHA-UHFFFAOYSA-N	588.597	4.001	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc(C)c([N+](=O)[O-])c1	100820902	HBSBPMSYPXHVNL-JVCXMKTPSA-N	529.553	4.289	5	40	KIBB	
Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cccc1[N+](=O)[O-]	105317976	IDFKZNSEMPHMET-UHFFFAOYSA-N	527.990	4.239	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1	110193811	YOAWPALFFXEZHP-QCHPHUCNSA-N	535.965	4.230	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222810325	BIAIKYDMTNNESR-HHHXNRCGSA-N	582.679	4.131	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225501195	CFZUMFMVRIXYEG-GDLZYMKVSA-N	586.670	4.176	5	40	KIBB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O	409227131	PDNFHQLEJKUKIR-FYJGNVAPSA-N	531.481	4.389	5	40	KIBB	
O=C(NCCN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)nc(S)n1c3ccccc3nc21	20618205	HDUJIJXAZGKOIY-UHFFFAOYSA-N	500.603	4.016	5	40	KIBB	
Cc1cc(NC(=O)CSc2nc3ccc(Br)cc3c3nc(=O)c(-c4ccc(F)cc4)nn23)no1	102348647	CEEXMGFOGPIFKX-UHFFFAOYSA-N	541.362	4.234	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225681023	LYXPYUQRSOHGHB-OPAMFIHVSA-N	573.499	4.390	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c2=O)=N1	409030155	CNUVRGAQIPLYDJ-JGTYQCAFSA-N	616.490	4.266	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)sc(C)c1C	18023451	QAVGYZMLNOINKU-ACRUOGEOSA-N	507.524	4.111	5	40	KIBB	
COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	59651491	QDVQRYSOCAKIRO-UHFFFAOYSA-N	548.017	4.128	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1	100715217	YCWYZIHKEKUMPS-RQLGBQGVSA-N	535.965	4.230	5	40	KIBB	
CCOC(=O)C1=C(COC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)NC(=O)N[C@H]1c1cccs1	103091309	XXJRVIXSYVBTLS-PXAQALGRSA-N	542.614	4.167	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	222485534	DTCPTIOXYQAUQO-QHCPKHFHSA-N	511.962	4.022	5	40	KIBB	
CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222606906	LAIHCMQCZQTBFY-MHZLTWQESA-N	601.125	4.427	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408641646	CWUAGKONJOYMSZ-IRXDYDNUSA-N	504.326	4.317	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(C)cc1	408751843	CVZWUUNGNYQQJQ-XSZPGNIMSA-N	529.574	4.275	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C	409150412	BXVAPEFFTVAETM-OAQYLSRUSA-N	512.592	4.078	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409182004	HURGFQXHCPUJNJ-JAYSWQADSA-N	588.598	4.492	5	40	KIBB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C1c3ccccc3C2([N+](=O)[O-])c2ccccc21	409368229	PYPLDPZCLQAQDU-YQORSWRPSA-N	520.295	4.142	5	40	KIBB	
Cn1ncc(Cl)c1C(=O)Oc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	102884210	AYXKOFJTDDUYNG-LSQMVHIFSA-N	618.946	4.160	5	40	KIBB	
Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nn12	105308146	MDGPRCXGRDNZQS-UHFFFAOYSA-N	519.568	4.134	5	40	KIBB	
CCOc1ccccc1CNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	139984406	MUHUKYVXZNFGPX-UHFFFAOYSA-N	548.017	4.476	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224947451	JWIGLDBEDVLVQF-NDEPHWFRSA-N	580.707	4.412	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	261015117	VBCVGPGGLCKTJY-SFTDATJTSA-N	570.643	4.261	5	40	KIBB	
CC[C@H](C)NC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(I)ccc12	6143824	LPNLGIXAVDBIOH-NSHDSACASA-N	511.323	4.010	5	40	KIBB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20079702	DZMKSDQFNQDKOU-RUZDIDTESA-N	530.633	4.096	5	40	KIBB	
Cc1ccc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccc(Br)cc2)c2ccccc2)c([N+](=O)[O-])c1	103081171	NGRJTTYALWSIMY-QFIPXVFZSA-N	526.343	4.319	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222615037	TWTPBAPVBMBEAR-SANMLTNESA-N	570.643	4.261	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	224444997	SJFLQOROWNAUMO-MHZLTWQESA-N	598.697	4.363	5	40	KIBB	
O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12	247345562	UHTBJYZILVMUJT-LUKWVAJMSA-N	500.898	4.010	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	260881604	ODWDHHBENZSHRO-AREMUKBSSA-N	617.124	4.188	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1	408857794	PYUSYGPIBSTBIU-FCYPAOMHSA-N	540.601	4.181	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)COc1ccc2ccccc2c1	101176948	YAFWIHCLRNNJEZ-IYOYZZHUSA-N	548.555	4.127	5	40	KIBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1	102912266	LJQNYGCQFZJHGA-DNVJHFABSA-N	509.902	4.317	5	40	KIBB	
CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nn12	105306216	RHKHTQOLDFGKSC-UHFFFAOYSA-N	550.670	4.118	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4C(=O)OC)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	110144685	IDXSCGVXVNRSIM-KMBIYUNPSA-N	587.610	4.062	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225361407	ZCVMSYJRJSJKFC-XZOQPEGZSA-N	626.732	4.448	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	260769550	HOBBGAHDPDLTBL-OAHLLOKOSA-N	589.498	4.008	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1	260981190	LERGKDSQPLIUHQ-GDLZYMKVSA-N	592.718	4.368	5	40	KIBB	
O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br	409370647	CQVQTTPBSZVARW-ISQHLFTMSA-N	520.295	4.142	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	109942797	NJIWVZZPNSRFKY-UHFFFAOYSA-N	525.886	4.084	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225481919	FCANANTYFOXVSJ-LJQANCHMSA-N	633.521	4.033	5	40	KIBB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225558461	KQLAPSICQAFDTD-FQEVSTJZSA-N	573.071	4.385	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21	247328390	OFSSHTWKXANFPL-XQUALCHDSA-N	514.925	4.277	5	40	KIBB	
C[C@]1(O)CC(=O)[C@H](C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OCc1ccccc1	253565323	HPJHCPXKZIHADY-KGWIZABPSA-N	517.534	4.121	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)CC2)c([N+](=O)[O-])c1	408573153	MIZHXIQIEJTZDH-UHFFFAOYSA-N	548.621	4.187	5	40	KIBB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1Cl	138875978	UPDLALJKJZBSDA-BKOMJCAWSA-N	516.337	4.173	5	40	KIBB	
COc1cc(NS(=O)(=O)c2ccc(NC(Nc3ccc(S(=O)(=O)Nc4cc(OC)nc(OC)n4)cc3)c3ccc([N+](=O)[O-])cc3)cc2)nc(OC)n1	195814639	QIRYVMQEPCWROJ-UHFFFAOYSA-N	753.776	4.034	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@H]5C=C[C@@H]([C@@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1	408640388	HUVZPCQCUCEHNV-PQFBZJLDSA-N	605.603	4.416	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	409085956	PHLCJSICUYPLEY-QTTRZTASSA-N	630.635	4.202	5	40	KIBB	
O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnc(N2CCc3ccccc3C2)nc1COc1ccc(Cl)cc1	585265701	PTBQHHQSFDLSIV-UHFFFAOYSA-N	580.022	4.299	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cccc([N+](=O)[O-])c1C	101228348	WPQNXJARQDQPJZ-QCWLDUFUSA-N	529.553	4.289	5	40	KIBB	
CCOc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(OC)c(OC)c3OC)C2=O)c1	102759660	IWQXEEHDZDOYMZ-JCYRPKCISA-N	549.536	4.070	5	40	KIBB	
CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	105316506	ZNGZJZNTBXHLIU-UHFFFAOYSA-N	559.092	4.280	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccccc1Cl	408999159	STWNOJFCAIDJHI-ZMIGGIFCSA-N	567.067	4.350	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409038908	WCIXXAMMHWYWHE-ZJTZAHLKSA-N	619.652	4.468	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	409094565	DSDYBOIQYKKGQJ-GOWBIRFASA-N	698.577	4.433	5	40	KIBB	
Cc1c(F)cccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C	409140919	FQFSCLOSLKNNTO-HXUWFJFHSA-N	500.556	4.029	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccccc4N4CCOCC4)C3=O)cc2)cc1[N+](=O)[O-]	409195422	PXJGNVWTCXUUPV-QQXSKIMKSA-N	638.680	4.183	5	40	KIBB	
O=C(CSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1)Nc1ccc([N+](=O)[O-])cc1	409335180	KCPJMVIDGKUWSK-SPDQCEQOSA-N	506.565	4.247	5	40	KIBB	
COc1ccccc1-n1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1nc2ccccc2s1	11852489	XVVRYEVOPHZVBI-UHFFFAOYSA-N	575.632	4.455	5	40	KIBB	
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc(C(=O)OC)c1C	59331404	WXIDEMDYYCWSRT-UHFFFAOYSA-N	517.541	4.315	5	40	KIBB	
COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1	97954732	XXNYYPINKCEHAO-FKBYEOEOSA-N	524.327	4.417	5	40	KIBB	
C[C@H](C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)N1C(=O)c2ccccc2C1=O	103088430	CGQRGUDETYXQMQ-SPLOXXLWSA-N	552.337	4.265	5	40	KIBB	
COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	104014691	JFFLXPGBKYMXLG-CXSMSNRLSA-N	544.951	4.411	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1	105498748	TUAOFRLZBVOVLU-SUAMDDGLSA-N	616.608	4.416	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223940932	YLOMDYRXFCTZDQ-FQEVSTJZSA-N	617.522	4.496	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	248381835	VEJLLEOZYHEJOX-BKKFENPESA-N	507.502	4.196	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409089729	JQVJFUJUHYDRAQ-LWUPDDLQSA-N	629.533	4.324	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)cc1	409271428	CVCBJTINALZRPG-RGFRMHDHSA-N	590.702	4.340	5	40	KIBB	
CCOCCCn1/c(=N\C(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	2416016	PBRYCWPJUCWDNR-SDAYHDPTSA-N	535.000	4.047	5	40	KIBB	
O=[N+]([O-])c1cc(OS(=O)(=O)c2ccccc2F)c(NS(=O)(=O)c2ccccc2F)cc1Cl	12612191	WBZASXZEFOHFKS-UHFFFAOYSA-N	504.876	4.095	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cccc(OC)c1	100820893	ZMQXJYCQSHXYHY-JVCXMKTPSA-N	500.555	4.081	5	40	KIBB	
COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	101194758	HNVLDXYMDUHYGF-FSSWDIPSSA-N	524.327	4.417	5	40	KIBB	
CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@](C)(CNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	103245966	YMEPFKDAUUAOLX-JBEBIEQOSA-N	558.504	4.064	5	40	KIBB	
COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OC)c([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1OC	104658799	INQVJQQCDNUZKJ-UPWSPCOFSA-N	555.612	4.253	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccccc1	107395703	RRWBFSXSEVPFBC-XSZPGNIMSA-N	529.574	4.275	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)o1	107942482	AAYXLYDZFSUIRH-MTJSOVHGSA-N	500.467	4.070	5	40	KIBB	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl	150398554	ORRRMCAHXKXLCC-UHFFFAOYSA-N	633.083	4.387	5	40	KIBB	
CC(C)c1nn2c(=O)cc(N3CCN(c4ccc([N+](=O)[O-])c(NCc5ccccc5)c4)CC3)nc2s1	5945211	WEVRONQQRSIWDK-UHFFFAOYSA-N	505.604	4.121	5	40	KIBB	
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1nnnn1-c1ccc(C)cc1	22108223	CVTUFMAJDINLHW-UHFFFAOYSA-N	523.981	4.322	5	40	KIBB	
O=C(c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCc3cccc([N+](=O)[O-])c3)nc2c1)N1CCOCC1	33077895	RPFFRKDMCGKZRC-UHFFFAOYSA-N	520.542	4.198	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408647773	VOLQKAPYGALWGN-BAEUJYSMSA-N	569.570	4.475	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c2=O)=N1	409050505	WOMDDKAIWCXSAO-XXMKCSCWSA-N	529.574	4.275	5	40	KIBB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1	409206554	LCFYYRYMWQYFFW-YVLHZVERSA-N	506.334	4.431	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F	409270115	FVHCYNKKAJFBGU-YVLHZVERSA-N	502.430	4.478	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	409273071	PMQDOMFORJTPEY-OEAKJJBVSA-N	525.583	4.477	5	40	KIBB	
COc1ccc(-c2nnc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)s2)cc1	9062299	MNNAJZBDNBIQON-UHFFFAOYSA-N	511.541	4.175	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	260844474	BRVHQISUTINKJK-AREMUKBSSA-N	617.124	4.188	5	40	KIBB	
COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	409072601	CTRBGEHVCDGNPP-UHFFFAOYSA-N	692.570	4.070	5	40	KIBB	
O=C(NC1CCCCCC1)c1nnn2c1sc1c(C(=O)NC3CCCCCC3)nnn1c1ccccc12	1409704	NIZAXQOGBIWYQQ-UHFFFAOYSA-N	520.663	4.454	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1	1824444	DZZAOBWWBICRFG-YMSBRDKKSA-N	533.537	4.106	5	40	KIBB	
O=C(COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCO2	3250233	PUAPFMFPUKQQHL-FMIVXFBMSA-N	512.478	4.371	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccccc1	8443168	HBMRHWPAOVJWLV-XSZPGNIMSA-N	529.574	4.275	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223247767	SXXHYSXTXBDVMP-JKSUJKDBSA-N	522.396	4.077	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NCC(C)C)cc1	224466498	BMLMCXHIVMCPPA-QHCPKHFHSA-N	626.732	4.305	5	40	KIBB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	256055757	SASMKRFOAOLSTI-VPDPSNNJSA-N	535.603	4.031	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C	261109061	XOSMHGATTFTPFM-HHHXNRCGSA-N	580.707	4.224	5	40	KIBB	
CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	408690512	VQAIBBPDZNRNJE-AZFUDACUSA-N	567.598	4.383	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733651	NYRDTYYDCKSYSU-QARYAGPDSA-N	559.600	4.284	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	408831507	QSBPGZHBYDYOFW-RWTNITNYSA-N	551.527	4.245	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1	408926854	NSGRNQDIBJZCCW-OBVMJLIASA-N	624.444	4.451	5	40	KIBB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n21	409011545	GEXJJOHORXKQOU-XQNWCSQWSA-N	633.679	4.309	5	40	KIBB	
CCOC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(-c4cccc([N+](=O)[O-])c4)n3C)cc2s1	2318594	FSJSOHGUDSODTC-UHFFFAOYSA-N	544.640	4.386	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223103021	VXKRYDCFBSTGCX-QHCPKHFHSA-N	566.680	4.432	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408639885	GMYBBNIWTKFHGV-NLSFWIRASA-N	559.531	4.068	5	40	KIBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br	409133424	MKXHLJKAKDKIDL-UHFFFAOYSA-N	547.435	4.246	5	40	KIBB	
O=c1c2cc(N3CCOCC3)ccc2nc(SCc2cccc([N+](=O)[O-])c2)n1Cc1ccc2c(c1)OCO2	2976187	PXLCLTBVUOPNLU-UHFFFAOYSA-N	532.578	4.211	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O	100920183	PMDRROAUXZSIKJ-KEZOAJOQSA-N	530.924	4.018	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223246868	FVUXFEVDCKYOMA-NRFANRHFSA-N	570.643	4.263	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCOc1cccc2ccccc12	223514558	DZEVWBPTBDDRQS-UHFFFAOYSA-N	505.552	4.139	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260767852	VKQYERKPJMWHDY-HSZRJFAPSA-N	596.706	4.357	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c2=O)=N1	409035520	JESVPUQPCIJEKL-IMEWXKHHSA-N	586.464	4.256	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc(F)cc3)C2=O)o1	409398672	FSVPUTOHONKRHW-NVMNQCDNSA-N	529.864	4.439	5	40	KIBB	
O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1	8449500	WNIZCHVNUWAPDP-QULSYZCUSA-N	654.267	4.226	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccc(C)c(C)c1	103629444	XGNDMBQJZIKFJI-MXNGAVTRSA-N	506.562	4.232	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	111470225	PVGZSJMDQLKJGU-IGSWSUAKSA-N	533.537	4.106	5	40	KIBB	
CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223482599	PPFQHSLXCWKONM-XMMPIXPASA-N	617.124	4.356	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225298372	YYHGWSXKWMOXQS-OAQYLSRUSA-N	573.499	4.310	5	40	KIBB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc([N+](=O)[O-])o3)c2=O)=N1	680781	WPEFWBNGSJTUME-QUYTYNJFSA-N	520.954	4.029	5	40	KIBB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	100355025	OVODKYGRQLNPAI-GDLZYMKVSA-N	564.650	4.140	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1	103784534	BEGXQRSOYKDQBB-QTTRZTASSA-N	573.602	4.425	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224989135	MRSXDMACMGCHHD-DHIUTWEWSA-N	596.706	4.439	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NCC(C)C)c1	261107075	XFSTVGSUCFEHEL-GDLZYMKVSA-N	610.733	4.090	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1OCC	408932030	AXFKQSPYGXWIHK-SXSMZTLPSA-N	645.690	4.311	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	6227663	NIPAKBZNERTVOE-LNXFQTKESA-N	573.583	4.004	5	40	KIBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261034349	XPRGIJYORRXWQW-IERDGZPVSA-N	603.525	4.398	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1	408827520	KDADNGVJCKSQTK-PNZYDNNZSA-N	563.563	4.114	5	40	KIBB	
O=C(Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br)c1ccc([N+](=O)[O-])cc1	866269	YFDDYAOBHTWWPV-UHFFFAOYSA-N	530.194	4.347	5	40	KIBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	15996884	RJXNBZRXDNKBQO-KEZOAJOQSA-N	514.925	4.402	5	40	KIBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@@H]2C(=O)N1c1ccccc1	102548613	NVNKPUXJRAPYLI-VJGNERBWSA-N	571.567	4.414	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223794537	YULLUUGAIROLTL-LJQANCHMSA-N	621.087	4.453	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225060781	DSXMJMURSINCHY-XZOQPEGZSA-N	566.680	4.431	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1	260782106	KOCNBJNLMNITJF-JOCHJYFZSA-N	594.690	4.275	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408913733	UCDVREBZPDKLPS-MKWGYRPRSA-N	589.626	4.374	5	40	KIBB	
CCCCc1nn2c(=O)cc(N3CCN(c4ccc([N+](=O)[O-])c(NCCc5ccccc5)c4)CC3)nc2s1	5946675	WAFIRPGTMPFMBL-UHFFFAOYSA-N	533.658	4.383	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1OCC	408940457	UPSBCIBVBMYJLX-KXXVVDRPSA-N	615.664	4.303	5	40	KIBB	
Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-]	409180998	XPCOBVUPYBPRSH-UHFFFAOYSA-N	500.305	4.359	5	40	KIBB	
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	102890629	OOYIYJUIOLYHID-KWXIBIRDSA-N	571.567	4.414	5	40	KIBB	
COc1cc(C)c([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1C(C)C	223365250	DCPYXFUENWXKRB-SFHVURJKSA-N	521.636	4.467	5	40	KIBB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223517713	TXMXVIZWFAXUPL-NRFANRHFSA-N	573.499	4.390	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225077402	CEFGPVCKSORISN-AREMUKBSSA-N	552.653	4.124	5	40	KIBB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1NS(C)(=O)=O	225487991	PWMXYSQVWBEGFJ-DQEYMECFSA-N	564.649	4.338	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	260858425	AEHIHSRDFYZPJY-VXKWHMMOSA-N	552.653	4.122	5	40	KIBB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1	260964583	ZXYVCMDYCYGUOD-GDLZYMKVSA-N	592.718	4.450	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC	409101339	XVUKAWVQVOESBW-RGFRMHDHSA-N	602.669	4.289	5	40	KIBB	
O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccc2c(c1)OCO2	2967155	NJDHYWJYDNNYII-QFIPXVFZSA-N	557.588	4.312	5	40	KIBB	
COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1	12311739	LZXRYRGRVBJFOA-UHFFFAOYSA-N	514.541	4.276	5	40	KIBB	
CCOC(=O)C1=C(COC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)NC(=O)N[C@H]1c1cccs1	103091316	XXJRVIXSYVBTLS-KXNSMUHISA-N	542.614	4.167	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)/C=C\c1ccc(Cl)cc1	103567459	BBLHSCRWGKFXQR-KPKWNBTHSA-N	549.027	4.435	5	40	KIBB	
O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	103933765	MMIUIJSLFIWFDI-AWNIVKPZSA-N	541.608	4.046	5	40	KIBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408567320	QWUSITZBKCBFET-XUCOSSOOSA-N	508.918	4.395	5	40	KIBB	
COc1ccc(CCn2c(=N)c(C(=O)NCc3ccccc3Cl)cc3c(=O)n4cccc(C)c4nc32)cc1OC	1274938	PRDDHUCTDAMCPH-UHFFFAOYSA-N	558.038	4.280	5	40	KIBB	
O=C(c1ccccc1I)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	22829147	IVNXTZXLVVBSBR-UHFFFAOYSA-N	505.234	4.181	5	40	KIBB	
Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C	97947935	QNANEQCGLPRNMQ-UHFFFAOYSA-N	546.532	4.396	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(F)cc1	163530825	IBEBEHREHRWWOT-DNQIBQKISA-N	624.444	4.451	5	40	KIBB	
COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)c(OC)cc2Br)cc1	408566613	FTVDJLJAOPGBIP-IBGZPJMESA-N	509.382	4.474	5	40	KIBB	
CCn1c(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C(=O)O)nnc1-c1ccc(Cl)cc1	408634276	SZZQHVPTPHGXGT-RCCKNPSSSA-N	529.022	4.496	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)cc1	408974728	CQTDNUWBOHVFKN-BIWBSIMWSA-N	589.626	4.374	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCOCC1	409129252	JDNYNCCVXMSJMD-YBFXNURJSA-N	735.294	4.278	5	40	KIBB	
CCCCCn1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3cccc(C)c3nc21	9346475	ZTWBWDYIDOTAEA-UHFFFAOYSA-N	515.433	4.223	5	40	KIBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	14275249	SGJIOLDBBSDDHR-UHFFFAOYSA-N	508.354	4.383	5	40	KIBB	
COc1cc([C@@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc(OC)c1OC	19816678	SEENDYOGTBXSRP-HNNXBMFYSA-N	521.555	4.263	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	100185580	LKGGTVTYQKFDNI-GVMLUORFSA-N	559.600	4.284	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1ccc(-c2ccccc2)cc1	101176802	FVXKWKMCMDNPRM-MDVFONAFSA-N	536.588	4.271	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O	104126565	SYGWZMRGVYPKEI-LWSSLDFYSA-N	514.925	4.318	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	105316005	NOFQWTWYLGHSFT-UHFFFAOYSA-N	558.664	4.284	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	260934369	MAKGXNZLMHAKKK-MUUNZHRXSA-N	610.733	4.090	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408638322	CFTVNHJTIHKFTA-FTJBHMTQSA-N	567.554	4.395	5	40	KIBB	
Cc1ccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-]	408653518	JIPAGVHBZDNDAT-LSSDNNNWSA-N	536.371	4.435	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Br	409340407	WPAFJBZBKOZMSY-YVLHZVERSA-N	538.401	4.117	5	40	KIBB	
COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	26965059	ZGRQDHWUVGZDSY-QHCPKHFHSA-N	503.540	4.271	5	40	KIBB	
C[C@]1(O)CC(=O)[C@H](C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OCc1ccccc1	35165462	DQRIUOCJJJQXIQ-QNVWVOQGSA-N	517.534	4.121	5	40	KIBB	
COc1ccc(CCNC(=O)CCCn2c(SCc3cccc([N+](=O)[O-])c3)nc3cc4c(cc3c2=O)OCO4)cc1OC	102755659	NOIMQMGZVJGBRQ-UHFFFAOYSA-N	606.657	4.482	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225304111	LAAGSCKDXVIJFK-NDEPHWFRSA-N	610.733	4.234	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408645410	SHYAMBYZGZBEDG-JYKFVMEGSA-N	540.359	4.195	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408733624	MUWTUEKZTQXETA-GBLIIGSVSA-N	594.001	4.349	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	409117313	OFEQJCUDHZFZLS-UHFFFAOYSA-N	618.668	4.419	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCc3ccc(Cl)cc3)C2=O)o1	409403339	ZTLHXYJWXRKBRO-WQRHYEAKSA-N	511.874	4.300	5	40	KIBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1	14279444	YSGKQGRNYWJFNW-UHFFFAOYSA-N	500.964	4.290	5	40	KIBB	
Cc1nn(-c2ccccc2)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	16976946	IYWAPTLYWSYYIV-UHFFFAOYSA-N	508.468	4.049	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223102814	IFQDRJYYQPOQEO-HSZRJFAPSA-N	566.680	4.432	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223665299	NLJSSDQZQAZVHI-RUZDIDTESA-N	637.542	4.452	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224112209	YLBMCCKGEMRSLX-SANMLTNESA-N	582.679	4.051	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O	261043638	ZOIBEGJELSRTLV-LJQANCHMSA-N	565.092	4.189	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@H]4C3=O)cc2)c1	408690021	TVIPMCRWGDVHRI-TUACAJSNSA-N	557.559	4.472	5	40	KIBB	
Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)CC2)cc1	59331751	MTVRDKMMCYILJJ-UHFFFAOYSA-N	517.611	4.301	5	40	KIBB	
Cc1cc(I)ccc1NC(=O)Cn1c(C)c(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c2ccccc21	101099721	GUXUPBBGVXBTPT-CSKARUKUSA-N	585.358	4.369	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(I)cc1	112237712	YPRUDJLVXYEGOQ-UHFFFAOYSA-N	564.327	4.055	5	40	KIBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)c1	139692110	UIOKYRBHPGMVPJ-UHFFFAOYSA-N	526.390	4.100	5	40	KIBB	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408645376	SGWLLUYESBDJKQ-UHFFFAOYSA-N	507.886	4.430	5	40	KIBB	
O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1	408780603	FZRSFQIOMAELDF-GXIJPSQLSA-N	527.533	4.095	5	40	KIBB	
COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	409193712	LMPUVOIKUCHUBB-ZUXDRYNTSA-N	515.434	4.475	5	40	KIBB	
O=C(CCn1c(SCc2cccc([N+](=O)[O-])c2)nc2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccc2)CC1	33357881	IZDYCCKKYWLHPO-UHFFFAOYSA-N	573.631	4.065	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	103006619	BXCIWANICRGFDX-UHFFFAOYSA-N	571.464	4.213	5	40	KIBB	
Cc1ccc(NC(=O)[C@@H](OC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2)c([N+](=O)[O-])c1	103093548	NDZZSQHFFVZPRO-QHCPKHFHSA-N	543.623	4.289	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260959604	KVMAKXJBKJUEFX-IRXDYDNUSA-N	573.499	4.308	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc([N+](=O)[O-])c1O	408828250	LIDGBFCPPBAXKV-ZDGAQAAHSA-N	529.549	4.080	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409097424	IKDWLDWGRKINQP-XQNWCSQWSA-N	602.669	4.289	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O)N1CCOCC1	409131084	MZWURIVMWDAVAG-YBFXNURJSA-N	596.843	4.485	5	40	KIBB	
Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)cc1[N+](=O)[O-]	2887476	XZAJOUDRMDZYKF-UHFFFAOYSA-N	517.450	4.110	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223360677	MDEHOIPPGSZENX-KRWDZBQOSA-N	573.499	4.310	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)cc1	248383114	ZGETZZNNHXRIDU-RSYZFUPGSA-N	507.502	4.070	5	40	KIBB	
COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)oc1ccccc12	3421564	LJMDPTVKSRCAFB-OAHLLOKOSA-N	505.483	4.193	5	40	KIBB	
Cc1cc2oc(=O)cc(COC(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)CC3)c2cc1C	103113267	VDKAICQYMJYBOO-UHFFFAOYSA-N	534.974	4.116	5	40	KIBB	
CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1	105316400	JHTFVMRTBNMFJP-UHFFFAOYSA-N	538.674	4.017	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	261021095	WALPNQHBQGWGNA-JOCHJYFZSA-N	596.706	4.439	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409042306	XDMCGEFLGFNDGZ-DKOMQPSQSA-N	646.516	4.273	5	40	KIBB	
CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C	409363154	UURFZHMKALDGQY-UHFFFAOYSA-N	523.402	4.482	5	40	KIBB	
CCCCOC(=O)CNC(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	5940308	WDTLDPTWJULVTH-UHFFFAOYSA-N	578.607	4.156	5	40	KIBB	
O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	14291058	FJBUNJLANFQNJL-UHFFFAOYSA-N	501.587	4.006	5	40	KIBB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)cc2)n2c(s/c(=C/c3ccc([N+](=O)[O-])cc3)c2=O)=N1	28627768	WQTDZCDQFBSMFB-ZMIGGIFCSA-N	510.575	4.091	5	40	KIBB	
COc1ccc(CCNC(=O)CCn2c(SCc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1OC	98049391	MWCNPENBFQOIEQ-UHFFFAOYSA-N	548.621	4.363	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	111470349	QXPAXQVJFJARDW-CBYYHRJHSA-N	563.563	4.114	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NCC(C)C	225755317	BFKZMYLKCUHCKA-LJAQVGFWSA-N	594.734	4.390	5	40	KIBB	
Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-]	408683806	NOYOSBWFQJMXLL-CGMOUXERSA-N	567.598	4.302	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc(OC)c1OC	408826188	CIHUXXCKOUGFHJ-FQKMCRJQSA-N	555.612	4.253	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408826739	KQSVSUGROCZLHL-FJWZAKCXSA-N	542.013	4.147	5	40	KIBB	
Cc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Br)cc2)cc1	409092744	WKHKJKGYNRKNDM-UHFFFAOYSA-N	518.389	4.495	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409245363	RPWHNALEZBDKCV-CIAFOILYSA-N	658.405	4.327	5	40	KIBB	
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])scc12	11757989	XQYGDYRQXDMZFW-UHFFFAOYSA-N	528.930	4.446	5	40	KIBB	
CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	59331442	XLEUEMSEQUATSK-UHFFFAOYSA-N	525.660	4.290	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCc4ccc5c(c4)OCO5)cc3c3ccnc2c31	70708236	GPJYISQEXSSZAK-INIZCTEOSA-N	551.555	4.422	5	40	KIBB	biogenic
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)/C=C\c1ccccc1	97492229	JDLWZMFBRCMIGF-ODPQYMNLSA-N	528.609	4.090	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)O	100236615	XCNPYPPSYSQUMO-RQZCQDPDSA-N	537.344	4.456	5	40	KIBB	
O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	103000657	LMZJKPHFWDHOPN-UHFFFAOYSA-N	565.029	4.086	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	103629831	YPNDXBPNMHRJEK-FSRJSHLRSA-N	571.977	4.371	5	40	KIBB	
O=C(NC(=S)Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112232752	OCKUUIWHVXSXGL-UHFFFAOYSA-N	530.562	4.332	5	40	KIBB	
CCOC(=O)c1ccc(C)c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	113624400	LELDZZZZUTTXHE-UHFFFAOYSA-N	541.582	4.231	5	40	KIBB	
COc1cc(OC)cc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)c1	100824135	ITEYAAICKMLLHR-UHFFFAOYSA-N	523.523	4.158	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	100949412	LSYSBRNSOBJRCO-DLBLZJNESA-N	549.008	4.151	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12	247313922	JIELLSOSXQTUFY-QPXUXIHVSA-N	559.376	4.386	5	40	KIBB	
O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408652532	DHHLJMQUWRCNTM-AWEZNQCLSA-N	505.870	4.007	5	40	KIBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	408925177	KTRDLGJLAJLFPP-UHFFFAOYSA-N	566.617	4.230	5	40	KIBB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409089903	PBLJBQQHJKONGJ-SGEFVQMOSA-N	598.371	4.385	5	40	KIBB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c1	409272163	MARZWDMVLNVMGH-YVBHXKDBSA-N	620.728	4.349	5	40	KIBB	
CCCn1/c(=N\C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	103360479	LQALYENFIAFNEE-WKGAAENLSA-N	543.407	4.438	5	40	KIBB	
COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1	104473615	KCJMDQXQXUQZDU-UHFFFAOYSA-N	533.566	4.375	5	40	KIBB	
COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)nc2c1	112230745	KXGUSTRXORBMDZ-UHFFFAOYSA-N	533.566	4.375	5	40	KIBB	
O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112238980	OTDWFVVJXYUOJD-UHFFFAOYSA-N	609.108	4.174	5	40	KIBB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c1	409272160	MARZWDMVLNVMGH-VPHSIRQSSA-N	620.728	4.349	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1	6260494	NIYIYWXKHVZLIR-GFCCVEGCSA-N	553.471	4.006	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N32)cc1	18129651	LSPPNXQHQXAJBH-CDCCBSOTSA-N	509.518	4.185	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	260934247	LQOQLAHAFRNFFW-MUUNZHRXSA-N	598.697	4.221	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	408779838	LYICZQXDDYKPCN-ZGOFBEGVSA-N	573.602	4.425	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409100948	WCFUKWSKAOJOHS-MGSPXPDISA-N	668.551	4.419	5	40	KIBB	
CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409133485	LZSVEPKZGKFMRD-NRFANRHFSA-N	585.712	4.103	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1	41091647	WFLDRVJKVLPLEP-UHFFFAOYSA-N	516.554	4.295	5	40	KIBB	
C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)[C@H]12	97956625	UKAOQJRIRRTVIA-LERLXCPZSA-N	529.347	4.005	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	260972875	ADKUCGFGVFOVBF-SFTDATJTSA-N	570.643	4.261	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1=O	1310914	DQHRRIALCJSXKU-LIONHTAISA-N	544.951	4.411	5	40	KIBB	
O=C1OC(c2ccccc2)=N/C1=C/c1cc(/C=C2/N=C(c3ccccc3)OC2=O)c([N+](=O)[O-])cc1[N+](=O)[O-]	4266060	JBPCFWUJCAIWAQ-KVOOEGMKSA-N	510.418	4.192	5	40	KIBB	
COc1ccccc1N(CCN1C(=O)c2cccc3cccc(c23)C1=O)C(=O)COc1ccccc1[N+](=O)[O-]	97983149	YDGUJMMHQJKVDF-UHFFFAOYSA-N	525.517	4.465	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105317301	PWWCSNIBCAUSGF-UHFFFAOYSA-N	609.108	4.174	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC(C)(C)C	222682630	FNRQMALIJMKOSE-QFIPXVFZSA-N	566.680	4.431	5	40	KIBB	
Cc1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)cc2)cc1C	224863855	QNZDZSIPIYRHPX-UHFFFAOYSA-N	511.600	4.295	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225258969	OGQMJSQTSIEVFL-AREMUKBSSA-N	570.643	4.263	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC(C)C	260779613	ZTDJGTONYOWVDY-JOCHJYFZSA-N	552.653	4.040	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=N1	409033520	FLNIRDTYWFTIDL-FJWZAKCXSA-N	542.013	4.149	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1	409100182	SVGXYDMOBFYIBP-ZGOFBEGVSA-N	647.735	4.445	5	40	KIBB	
COC(=O)C1=C(C(=O)OC)[C@@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)c2sc(=O)[nH]c2S1	33354390	GIGXJMCVWGFMDW-MRXNPFEDSA-N	548.982	4.415	5	40	KIBB	
CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC	102759886	FEIXJYOIIGFHJV-UBFVSLLYSA-N	503.511	4.443	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1	408691134	YKTIAKBCEWLVCD-FYZCMOJQSA-N	597.624	4.392	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)S(C)(=O)=O	408712405	YPJYAVVKOIVUOW-UHFFFAOYSA-N	568.633	4.262	5	40	KIBB	
COc1ccccc1-n1c(SCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)nc2cc([N+](=O)[O-])ccc21	12603237	RDMVYBTXIYVXPI-FQEVSTJZSA-N	504.568	4.351	5	40	KIBB	
COc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl	14278435	OFPBVSZDHVQSHH-UHFFFAOYSA-N	508.922	4.080	5	40	KIBB	
CC(=O)Oc1c(I)cc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1I	150345610	PHPDJJDCZZYEQY-VIZOYTHASA-N	618.121	4.382	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OC	215005281	CEWLALWVYSXNIM-CXUHLZMHSA-N	526.308	4.453	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1	408644372	RASQOHCBWQYNDW-MJGOQNOKSA-N	516.337	4.483	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409095800	IDXKQAAWGKAGGN-XQNWCSQWSA-N	602.669	4.289	5	40	KIBB	
CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C	409355228	CIAGTFWMTCPVSR-LJQANCHMSA-N	502.984	4.235	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	140354346	YWUWYFNVQFWGPP-UHFFFAOYSA-N	521.954	4.216	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12	247344273	UAYKPOXLAOMKCT-LUKWVAJMSA-N	500.898	4.010	5	40	KIBB	
O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408638329	BWDXZALGFCJIRX-CQSZACIVSA-N	550.321	4.116	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1	408678648	BSSSGQBRZRHIDV-ZETCQYMHSA-N	565.149	4.383	5	40	KIBB	
O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl	409377976	MGPNVVAZUCNELW-PMACEKPBSA-N	547.303	4.376	5	40	KIBB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)C1	15979436	OHLSXGXNIWPXTD-JYJNAYRXSA-N	523.995	4.099	5	40	KIBB	
COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)c1	20411649	KGAVWOKWCRWHSY-UHFFFAOYSA-N	524.961	4.480	5	40	KIBB	
CC(C)COc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1	107887342	RWBSVJOSOQVDPU-UHFFFAOYSA-N	525.675	4.457	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	150383816	PFHQEYNZYKXJQZ-RBMXVJLZSA-N	660.617	4.144	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223043149	XUQJWNHOVNIGRI-LJQANCHMSA-N	603.495	4.106	5	40	KIBB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225679789	YMIBGIGEKAJYNL-NRFANRHFSA-N	570.643	4.119	5	40	KIBB	
CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@H]2C=Cc3c(ccc4ccccc34)N12	248240516	BGGHYNLSYCAQES-ONTLXTELSA-N	517.925	4.354	5	40	KIBB	
O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)cc1)[C@H]1CCCN12	408564015	BZJATXMPIMSNCY-RAKSCHNQSA-N	500.511	4.228	5	40	KIBB	
Cc1c(Cl)cccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O	408668835	RDUIZMJRKGWSQT-OAHLLOKOSA-N	519.897	4.316	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409147906	WKPFIXPVESMKLA-RQZCQDPDSA-N	537.344	4.456	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O	409250322	NBSMVUCNJJARKL-SRZZPIQSSA-N	611.405	4.485	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCC(=O)Nc3ccc(C)cc3)C2=O)o1	409401281	SBECDAIRRRPIGF-GRSHGNNSSA-N	568.926	4.047	5	40	KIBB	
CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)CC1	8897270	NOKQYDMVMCQYTP-UHFFFAOYSA-N	504.012	4.132	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21	9015707	ICJHQWJPYHPIFN-KIHHCIJBSA-N	514.925	4.277	5	40	KIBB	
CCCn1nc2ccccc2c1P(=Nc1cc([N+](=O)[O-])ccc1OC)(N1CCOCC1)N1CCOCC1	12633059	TXWNJQJVULFMEY-UHFFFAOYSA-N	528.550	4.016	5	40	KIBB	
COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1Cl	22847419	CFEXOSWPVUSRKA-UHFFFAOYSA-N	522.949	4.388	5	40	KIBB	
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	35086410	PKDRVZOKFGMDRB-OAHLLOKOSA-N	501.492	4.027	5	40	KIBB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225558543	MWHMENXOVKRVQC-FQEVSTJZSA-N	573.071	4.385	5	40	KIBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408565112	BFGQOVFZSXJJCI-RTFLAGNKSA-N	508.918	4.395	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1	408570110	ZAJMCDQICOYMOO-RBYFDUNASA-N	503.530	4.468	5	40	KIBB	
CCOC(=O)c1c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)sc2c1CCC2	408625903	JOOJWKOIIQVYKJ-UHFFFAOYSA-N	529.596	4.156	5	40	KIBB	
COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(OC)c([N+](=O)[O-])c3)c2)cc1[N+](=O)[O-]	408673600	UCFHVLIZGKLMGP-UHFFFAOYSA-N	637.554	4.095	5	40	KIBB	
COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	97948212	POKFFPCXYPVSGE-UHFFFAOYSA-N	557.607	4.196	5	40	KIBB	
COc1ccc(-c2csc(NC(=S)NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1Br	100319505	CWPZGCNJKAYPDD-UHFFFAOYSA-N	523.390	4.381	5	40	KIBB	
CCCCn1/c(=N\C(=O)COc2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	103182764	JYHQPBIZGXVRTH-KRUMMXJUSA-N	543.407	4.439	5	40	KIBB	
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])cc(Br)c4O)c(=O)n32)c1	408765921	BVOHCHAKMSAAPV-RWTNITNYSA-N	621.469	4.259	5	40	KIBB	
COC[C@@H](C)OC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1cc(I)ccc12	97955267	PHYALAIBTDBNQD-LLVKDONJSA-N	528.306	4.086	5	40	KIBB	
COc1ccc(CCNC(=O)CCn2c(SCc3ccc([N+](=O)[O-])cc3)nc3cc4c(cc3c2=O)OCO4)cc1OC	102755434	PUQDNOZWHGBODB-UHFFFAOYSA-N	592.630	4.092	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	224274430	JOPKHYOABHYXDR-MHZLTWQESA-N	610.733	4.233	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409042310	XDMCGEFLGFNDGZ-IZBTWGKQSA-N	646.516	4.273	5	40	KIBB	
CCOc1ccc(C(=O)Oc2c(/C=C3\NC(=O)N(Cc4ccc(C(=O)OC)o4)C3=O)cccc2[N+](=O)[O-])cc1OCC	409409872	RNNAPUYRGINGKW-UYRXBGFRSA-N	579.518	4.084	5	40	KIBB	
Cc1cc(OCCN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)CC2)cc(C)c1Cl	2037873708	LRICQXVTGJUALZ-UHFFFAOYSA-N	573.071	4.185	5	40	KIBB	
Cc1c(N(Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	224862515	OIUPGEDZCGULNT-UHFFFAOYSA-N	501.992	4.495	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408615532	BNCTYZVTFLMFJA-HXUWFJFHSA-N	617.080	4.308	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1	409031724	KMZXVXRVWMWSBZ-YNMQQHPQSA-N	585.638	4.294	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc([N+](=O)[O-])cc3)c2=O)=N1	409048947	PNIAGSBFEDSMDO-FJWZAKCXSA-N	542.013	4.149	5	40	KIBB	
Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	13148186	CXCJERQGYYXNDE-HNNXBMFYSA-N	501.492	4.027	5	40	KIBB	
CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl	22248213	AXGYEFSGNAOSPM-QFIPXVFZSA-N	517.991	4.484	5	40	KIBB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc2OC)cc1OC	197753227	KOPCMIRQTISZTK-UHFFFAOYSA-N	535.962	4.108	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408826768	CXOHLKMAOUCRSB-QARYAGPDSA-N	593.589	4.123	5	40	KIBB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)C1	15979432	OHLSXGXNIWPXTD-XHSDSOJGSA-N	523.995	4.099	5	40	KIBB	
COc1ccc(CCNC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC	59651487	YQSKDZGTHPWNPF-UHFFFAOYSA-N	578.043	4.137	5	40	KIBB	
COc1ccc(CCn2c(=N)c(S(=O)(=O)c3ccc(Cl)cc3)cc3c(=O)n4cccc(C)c4nc32)cc1OC	101341231	YAFDCEAWKIZETM-UHFFFAOYSA-N	565.051	4.183	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225020949	QYAVPCRGRVBGON-XZOQPEGZSA-N	566.680	4.431	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	261045276	LDIAUIMOOUMQDE-ZBLYBZFDSA-N	584.670	4.055	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1	408642820	NYUPPQCWRPELLI-QZTJIDSGSA-N	516.337	4.483	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Oc4ccc(C)cc4)cc3)C2)c1	408651900	BPPHJCDRQLBPMY-SFHVURJKSA-N	519.510	4.239	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C	408835138	MOLKRGHTFLROHR-RQLGBQGVSA-N	616.490	4.265	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O	409165334	WRFPOUWLQXSMQX-SXGWCWSVSA-N	522.333	4.137	5	40	KIBB	
CCCOC(=O)c1cccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1	409169236	OXZBQJNUHKGIEI-OAQYLSRUSA-N	540.602	4.138	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCc3ccccc3Cl)C2=O)o1	409398665	FROKEQYZRFRNPA-WQRHYEAKSA-N	511.874	4.300	5	40	KIBB	
CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc2)N3)C1	102080047	LOKXNVJKPPCNGN-OAQYLSRUSA-N	522.539	4.244	5	40	KIBB	
O=C(NC(=S)Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112231642	WOVJIBHZSBAJBN-UHFFFAOYSA-N	538.973	4.415	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCCC1	408549894	AZQUUGWSXWXRES-UDWIEESQSA-N	593.399	4.437	5	40	KIBB	
CCOC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2	408614481	CSASVTKOLREJGW-UHFFFAOYSA-N	573.649	4.473	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	408703243	PGGGECMYIGCPAH-UHFFFAOYSA-N	526.390	4.267	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccs1	408785450	ZMEMNTHIKFCJPA-LYRGBEMXSA-N	592.611	4.469	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	409062963	DQBIHODFZYPVKV-CCORILLZSA-N	672.716	4.131	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC	409272670	OAGNPQLEQPQDTG-RQZCQDPDSA-N	507.318	4.294	5	40	KIBB	
CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	101673369	OBCHPPWWIMNPNJ-GIWBLDEGSA-N	599.350	4.421	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225217492	OFWCJIDCVYMHKX-NHCUHLMSSA-N	570.643	4.261	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@H](c6ccccc6)[C@@H](C5)[C@H]4C3=O)c2)c1	408686222	MXMAQQBEZJJIHH-UJERDWQOSA-N	569.570	4.328	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	409103472	BRSCUGVUHNYCKD-QBEFQMMVSA-N	728.603	4.441	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)o1	409400511	SEYVEAAUACLAEM-PXNMLYILSA-N	573.312	4.026	5	40	KIBB	
CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1	59331697	XYYOFAKTCIBSIO-UHFFFAOYSA-N	521.599	4.286	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1	409043505	MRBZRAGQRGQION-DBXPASCUSA-N	555.612	4.286	5	40	KIBB	
CCOC(=O)c1cc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)ccc1Cl	409373567	XMPAAGMQWRTFFA-FPAXGFGJSA-N	502.910	4.302	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1N1CCc2ccccc2C1	9601763	XYMTVYBIWPBURA-UHFFFAOYSA-N	513.019	4.322	5	40	KIBB	
CCOC(=O)c1cc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)ccc1Cl	22429837	IYBDBKOKSHYAHO-UHFFFAOYSA-N	517.947	4.259	5	40	KIBB	
O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12	43710823	ZULPAKODZSFDPI-KIHHCIJBSA-N	514.925	4.402	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	100618604	ZHUPGAXLZFCNQV-MFCBUNOESA-N	589.626	4.292	5	40	KIBB	
Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(Cl)cc3)cc3c(=O)n4cccc(C)c4nc32)cc1	100851444	JSUCRJJJXSCVJH-UHFFFAOYSA-N	504.999	4.280	5	40	KIBB	
COc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1	105312964	SVCXJXHXEOMSAC-UHFFFAOYSA-N	533.566	4.375	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224221097	WFKAWKVCBJNUIO-AREMUKBSSA-N	587.098	4.181	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225327510	QDIZXFUGHBHMCC-NDEPHWFRSA-N	580.707	4.226	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	408645807	IJYAYBYEIINDMW-XMLVGPMBSA-N	516.337	4.339	5	40	KIBB	
O=C(CCCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)OCC(=O)c2ccccc2)cc1	97945598	PIFQSKXJINKSPC-UHFFFAOYSA-N	532.505	4.169	5	40	KIBB	
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1	101126028	LJQNYGCQFZJHGA-VJBWXMMDSA-N	509.902	4.317	5	40	KIBB	
CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC	102759884	FEIXJYOIIGFHJV-DSNGMDLFSA-N	503.511	4.443	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)sc2c1CCCC2	102917690	NRMQXNDENAVQLR-RJGXRXQPSA-N	533.562	4.373	5	40	KIBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	408637352	IXBKDCUXCJTHSE-INIZCTEOSA-N	600.367	4.040	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)cc1	408640383	HUVZPCQCUCEHNV-NPFIHWEYSA-N	605.603	4.416	5	40	KIBB	
Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)cc1Cl	408647155	WMWSIFLTIULTMI-HNNXBMFYSA-N	519.897	4.316	5	40	KIBB	
O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1	408718321	RWIQURNOKFXDBK-IINORCHSSA-N	510.418	4.192	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cccs1	408727940	ZZISHIPIDCBTLH-XSZPGNIMSA-N	561.641	4.347	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408909359	HHNVMWZSVOJNEK-MKWGYRPRSA-N	589.626	4.374	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3O)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	409334966	MVRQSJWADAGVHU-DKOMQPSQSA-N	565.991	4.326	5	40	KIBB	
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1c[nH]c2ccccc12	1875406	OWRDTPDMHMQVOR-UHSQPCAPSA-N	519.561	4.485	5	40	KIBB	biogenic
O=C(Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3[N+](=O)[O-])co2)s1)c1cccs1	101036558	GKKQIBVREOUKFK-UHFFFAOYSA-N	516.538	4.225	5	40	KIBB	
Cc1ccc(NC(=O)[C@H](OC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c2ccccc2)c([N+](=O)[O-])c1	103093545	NDZZSQHFFVZPRO-HSZRJFAPSA-N	543.623	4.289	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1cccc(Br)c1	103629342	XGMOQCJGYJNVKG-GDWJVWIDSA-N	557.404	4.378	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	105317208	TZSAJBYBDLCBPE-UHFFFAOYSA-N	524.002	4.337	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)c(=O)n32)cc1	111465932	DIMFSSXWJIUEBU-SUAMDDGLSA-N	589.626	4.372	5	40	KIBB	
CO[C@@H]1O[C@@]23CC[C@@]4(O)C[C@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]14[C@H]2CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]13	119183914	LVPSFFFJUAEDQD-YFSXSYRTSA-N	612.632	4.391	5	40	KIBB	
CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224914811	KBHNIRCHRQYSNR-SANMLTNESA-N	587.098	4.179	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260955460	KMLOCYAXFRKGFT-GOTSBHOMSA-N	566.680	4.165	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc(OC)cc1	408732687	XIRKGNXLTOVQOV-VPHSIRQSSA-N	615.664	4.412	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(O)n4)c(=O)n32)cc1	409103661	DTEYXCNANDISGT-LKWZWFHSSA-N	647.735	4.449	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1	409115167	KQKMWSSIGWNQMO-UHFFFAOYSA-N	558.616	4.401	5	40	KIBB	
Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12	409333207	ILDSYQPSQHCAGJ-CEWWTIOHSA-N	538.512	4.462	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	3771194	DMJPLWKVOHFKPX-SCFJIEIRSA-N	535.965	4.090	5	40	KIBB	
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)[C@H]1c1ccccc1	17574283	OWZAHLFMWUAULW-BWKNWUBXSA-N	535.354	4.360	5	40	KIBB	
C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(c4ccc(Br)cc4)C(=O)N=C3O)[C@@H]2[C@H](C)O1	97956626	UKAOQJRIRRTVIA-RQOZVNRLSA-N	529.347	4.005	5	40	KIBB	
COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	101194755	HNVLDXYMDUHYGF-VSKRKVRLSA-N	524.327	4.417	5	40	KIBB	
COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1	409181319	AXROWOKPAJTKGR-UHFFFAOYSA-N	553.867	4.314	5	40	KIBB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409227061	OLPHDPVNMKSCGQ-OEAKJJBVSA-N	530.537	4.276	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc([N+](=O)[O-])c1O	409345754	JNUWWIKKZVWSDL-SXGWCWSVSA-N	522.333	4.137	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccc(C)c(C)c1	103629719	ANZBTIFNQHCSIW-MDVFONAFSA-N	520.589	4.427	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408641068	JKTWFKQWWGEIEV-IAGOWNOFSA-N	504.326	4.317	5	40	KIBB	
O=C(COC(=O)CCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)Nc1cccc([N+](=O)[O-])c1	408676835	AKASCERLHCVXPP-UHFFFAOYSA-N	535.123	4.376	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408686861	SMRXKCCDQWOYNZ-MJGOQNOKSA-N	516.337	4.483	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409099013	RNVGGHGKRRFKPJ-VCDQAHEJSA-N	654.126	4.324	5	40	KIBB	
CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl	409162824	IJXWGOYTNBZKFI-VCHYOVAHSA-N	503.920	4.490	5	40	KIBB	
Cc1ccc(NC(=O)COc2cccc(/C=C3\NC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c2)cc1C	409375491	LODUNJRCDGNFDH-OYKKKHCWSA-N	500.511	4.322	5	40	KIBB	
COc1ccc(Cn2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccc(N4CCOCC4)cc3c2=O)cc1	2976155	ZQDYWELHLINUPH-UHFFFAOYSA-N	518.595	4.491	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccccc1Br	103629348	BSHGDDYGNLNXSF-GDWJVWIDSA-N	557.404	4.378	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	261078463	QVEQXVAXPWINDO-FIPFOOKPSA-N	580.707	4.224	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733028	DFGZAQCVVCYWDH-PNZYDNNZSA-N	529.574	4.275	5	40	KIBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc(O)c3nnn(Cc4ccc(Cl)cc4Cl)c3n2)CC1	1325053	LXYJSUIRXKWYDC-UHFFFAOYSA-N	528.356	4.210	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(F)cc1	1814710	BLPTVCHOVZPNRR-PNZYDNNZSA-N	547.564	4.414	5	40	KIBB	
O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22844024	LEMGOWCCQBCXCL-UHFFFAOYSA-N	519.577	4.145	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1	100888615	MQWAIZJUSZVKJB-QYOOZWMWSA-N	525.517	4.010	5	40	KIBB	
CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1	101175590	YZYXUQGPUKSYBA-CHRBLHIJSA-N	548.646	4.089	5	40	KIBB	
CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224351475	PZILFFYMKWYYPU-HSZRJFAPSA-N	565.092	4.189	5	40	KIBB	
CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224619125	YJZIQDWWJHCHGK-HXUWFJFHSA-N	573.071	4.385	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225227039	BSBMUHMPWLSMFQ-MRXNPFEDSA-N	522.396	4.078	5	40	KIBB	
C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408567318	QWUSITZBKCBFET-VIQOPKQKSA-N	508.918	4.395	5	40	KIBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408639455	XDFHJVVUHVXVGH-KRWDZBQOSA-N	505.439	4.074	5	40	KIBB	
Cc1ccc(O)c(C(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(=O)n(-c3ccccc3[N+](=O)[O-])c2)c1	15910839	OUJWJSCWULOMEP-UHFFFAOYSA-N	514.450	4.151	5	40	KIBB	
CCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)N(C)C1=S	100301229	GAGNBOBXKGJGFK-YVLHZVERSA-N	553.378	4.207	5	40	KIBB	
CCOCCCn1/c(=N/C(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	102920335	JVDZNZMXFCUFBM-XQMNIQPOSA-N	549.027	4.355	5	40	KIBB	
C[C@@H](C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)N1C(=O)c2ccccc2C1=O	103088418	CGQRGUDETYXQMQ-QKKBWIMNSA-N	552.337	4.265	5	40	KIBB	
O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	138936875	FITRRSZCYGAEQI-UHFFFAOYSA-N	525.271	4.119	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408650112	ZMMBZMYEFYFFMQ-DSJQIVRYSA-N	591.576	4.107	5	40	KIBB	
O=C(Nc1cccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1)c1ccccc1	14008939	UCSRYQGLKDZTEZ-UHFFFAOYSA-N	508.537	4.389	5	40	KIBB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1	39556248	MJPKVOSJQUULQS-ZVHZXABRSA-N	509.522	4.438	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21	101075970	JIELLSOSXQTUFY-KIHHCIJBSA-N	559.376	4.386	5	40	KIBB	
C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223101644	RPCBDYNIDHVARC-QFIPXVFZSA-N	566.680	4.165	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225320426	UOTUYLHEFVKDAR-NRFANRHFSA-N	559.472	4.001	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409183875	VXBLYVLWGPHXJA-XSZPGNIMSA-N	513.575	4.168	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OCC(=O)OC	409275209	SMUWWXZVEFBXOJ-GRSHGNNSSA-N	579.381	4.227	5	40	KIBB	
Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc2)c1	3289065	NTYDHDOLNGGPST-DEOSSOPVSA-N	501.495	4.121	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260952394	KCPNSIIBNQLLGC-IRXDYDNUSA-N	573.499	4.308	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1	408676427	DBFZQVUEFQBGTH-FMBFLHKZSA-N	583.597	4.002	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1	408689979	SXHQCNPGPAHBGY-CABZKWKSSA-N	539.544	4.320	5	40	KIBB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n21	409010225	BLDGUHBPECYIAC-RGFRMHDHSA-N	649.678	4.009	5	40	KIBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1	409383842	KHZLFXJECFJLNG-UHFFFAOYSA-N	501.464	4.215	5	40	KIBB	
O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	16384451	WXFPWXXHRZXXAN-UHFFFAOYSA-N	507.469	4.475	5	40	KIBB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1	27023773	UZRUNZVXIYWTMZ-UHFFFAOYSA-N	518.526	4.037	5	40	KIBB	
COc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Br	112229757	DOQJTELOAIACNX-UHFFFAOYSA-N	547.353	4.222	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223096313	ADKUCGFGVFOVBF-LEWJYISDSA-N	570.643	4.261	5	40	KIBB	
CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(F)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl	224937753	DQQJZZKXEGAGPJ-UHFFFAOYSA-N	505.955	4.326	5	40	KIBB	
C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408648475	WMGRFWOXMZEDMP-CYBMUJFWSA-N	522.857	4.081	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)cc2)cc1[N+](=O)[O-]	409205214	GLVPQYPRXAMOCN-MSXFZWOLSA-N	611.610	4.117	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc(OCC)cc1	100820896	MQRHYYBHKCOTAB-ZXPTYKNPSA-N	514.582	4.471	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	102261231	HPWJIPXQBSFKNI-MIUGUJGPSA-N	615.664	4.303	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1c(F)cccc1F	103629715	XAMUFIGKXFDBQX-MKFPQRGTSA-N	528.515	4.088	5	40	KIBB	
COc1c(Cl)cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1Cl	107570979	WPBNOYKUSOQKEO-UHFFFAOYSA-N	503.795	4.401	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	222685805	BWUPICMKSZACRN-HSZRJFAPSA-N	556.413	4.131	5	40	KIBB	
COc1cccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3Cl)S(C)(=O)=O)cc2)c1	224938158	ZBECMOCKJZODHN-UHFFFAOYSA-N	533.990	4.032	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260868224	DAHCPRGHGJQTJW-PKTZIBPZSA-N	566.680	4.431	5	40	KIBB	
CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)CC1	408635178	XQKISYHRMKUVFA-CPNJWEJPSA-N	501.952	4.268	5	40	KIBB	
Cc1cc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408649051	ZGJIZRHCHPVJTI-HNNXBMFYSA-N	519.897	4.316	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408684195	MYWQJIJGJDJMJN-VOBQZIQPSA-N	528.359	4.019	5	40	KIBB	
O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22842464	WJEVJMXIVZDVFK-UHFFFAOYSA-N	517.567	4.044	5	40	KIBB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)cc1Cl	32124986	CWAURJUAISZRDF-NVMNQCDNSA-N	507.977	4.316	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc([N+](=O)[O-])o3)c2=O)=N1	58872205	SNXWWLDLWUIKEF-CBIIRDDDSA-N	509.584	4.203	5	40	KIBB	
O=C(CSc1cn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12)Nc1ccc2c(c1)OCCO2	100820163	CJEWIEDJFVSMFN-UHFFFAOYSA-N	532.578	4.482	5	40	KIBB	
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1	225405311	LDOJTEWIPXDCMM-BJKOFHAPSA-N	534.623	4.329	5	40	KIBB	
COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)c(OC)cc2Br)cc1	408566618	FTVDJLJAOPGBIP-LJQANCHMSA-N	509.382	4.474	5	40	KIBB	
COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1	409328112	ZIUYVJOLCQNGLV-FPLPWBNLSA-N	521.267	4.159	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1	1316719	PYWWPPKIHWRSDQ-FXSPECFOSA-N	549.536	4.070	5	40	KIBB	
Cc1nn(Cc2c(C(=O)N3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)noc2C)c(C)c1[N+](=O)[O-]	13961294	NTCMWJITTUXWTG-UHFFFAOYSA-N	507.378	4.018	5	40	KIBB	
O=C(OCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1)c1ccc([N+](=O)[O-])o1	42891522	ZLVANECEZQYXPE-OAHLLOKOSA-N	536.360	4.443	5	40	KIBB	
O=C(NCCc1ccccc1)C1CCC(Cn2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)CC1	59503704	XXQYSGGPOLALCH-UHFFFAOYSA-N	540.620	4.285	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O	103986342	DQHRRIALCJSXKU-NGSHPTGOSA-N	544.951	4.411	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223310618	CGYBVUVQCZTRJZ-XMMPIXPASA-N	525.989	4.412	5	40	KIBB	
CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224681209	IJFXUADENHKOTR-FQEVSTJZSA-N	617.522	4.495	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408730017	DFJGAGBHIBRQOW-BHFPBWTASA-N	629.647	4.132	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(OCC)cc1	408996285	HDEUBWTYWRCIHO-XKGHIZKOSA-N	576.675	4.096	5	40	KIBB	
CS(=O)(=O)CC[C@H](C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409176615	SPAZHHLVKUTSHE-ISKFKSNPSA-N	619.435	4.468	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccccc1	409335960	ZEYFPFMSPSSCBT-PRLWALMFSA-N	585.638	4.403	5	40	KIBB	
C[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C	409356673	GZXXNGRZXLSJNA-NSHDSACASA-N	509.375	4.252	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(C)c1	409398268	CKGRRNVUKPOMSP-JAIQZWGSSA-N	535.509	4.353	5	40	KIBB	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl	6444309	OXYUSYVDYMFJAQ-CYBMUJFWSA-N	515.579	4.397	5	40	KIBB	
Cc1cc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)O)ccc1[N+](=O)[O-]	100948813	RNVLQLYTKZZIDW-UHFFFAOYSA-N	517.155	4.253	5	40	KIBB	
CCc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	101220671	RADCEGHLIMOCJX-UMFSSWHCSA-N	533.537	4.234	5	40	KIBB	
COc1ccc(Br)cc1C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	112229755	AZLWLZUTEDVVEQ-UHFFFAOYSA-N	547.353	4.222	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225552393	FLKQTTAORZPGEW-SSEXGKCCSA-N	600.697	4.485	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261049407	ZTVASWIXIBPFRD-KKSFZXQISA-N	603.525	4.398	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408642424	DVGUFILYQGGJOY-IAGOWNOFSA-N	502.310	4.093	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccc(C)c([N+](=O)[O-])c5)C4)cc3C)C(=O)[C@H]2C1	408673519	XEUFKXILMSIVDQ-COPCDDAFSA-N	517.538	4.016	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409031249	JRLPMGCAFGDARN-JGAIACPSSA-N	661.689	4.225	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	1795520	NLMASEVYVASCCN-QCHPHUCNSA-N	535.965	4.230	5	40	KIBB	
O=[N+]([O-])c1ccc2nc(N3CCN(c4nc5ccc([N+](=O)[O-])cc5nc4Cl)CC3)c(Cl)nc2c1	16431427	BUKKTHMKGWEEBM-UHFFFAOYSA-N	501.290	4.023	5	40	KIBB	
COc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1OC	100824137	LPYOGNDESVMKSA-UHFFFAOYSA-N	523.523	4.158	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223357292	JTVRJHBIXFZOMZ-INIZCTEOSA-N	589.498	4.010	5	40	KIBB	
CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224681038	VHDCMUCKSSXCAV-HXUWFJFHSA-N	617.522	4.495	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc([N+](=O)[O-])cc1	408641136	JUUIPHIPDHIHHP-UHFFFAOYSA-N	543.275	4.346	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408641355	KATSPANIBDXBHQ-SVBPBHIXSA-N	617.636	4.252	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4C)c([N+](=O)[O-])c3)C2=O)o1	409400355	PBJODJVJZBOENX-GRSHGNNSSA-N	568.926	4.047	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21	16038149	UAYKPOXLAOMKCT-AFXVXQJMSA-N	500.898	4.010	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)/C=C/c1ccccc1	103629578	KQOHNBIMQMOBJO-UBYRDYTBSA-N	518.573	4.209	5	40	KIBB	
COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(OC)c(OC)cc5[N+](=O)[O-])c(=O)n42)c2ccccc2CC3)cc1	104657452	JZECSNNBCFLTSW-ZJTZAHLKSA-N	555.612	4.253	5	40	KIBB	
O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	112028458	VMIRIKPEWCRWDA-UHFFFAOYSA-N	588.597	4.001	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223055432	RVJLKHFVDVVSQD-FQEVSTJZSA-N	647.548	4.423	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O	224777621	YCARPASISNBDGI-IBGZPJMESA-N	565.092	4.189	5	40	KIBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408664112	YTHJDUXEVCRXFK-GOSISDBHSA-N	522.897	4.246	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1)c1cccc([N+](=O)[O-])c1	4157049	AZZPGBQAONLZJW-UHFFFAOYSA-N	637.513	4.383	5	40	KIBB	
O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	32127414	DHJYVMLGMRZJJQ-UHFFFAOYSA-N	509.569	4.428	5	40	KIBB	
Cc1c(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)O)cccc1[N+](=O)[O-]	100008574	GZXQDJLOBHLOMQ-UHFFFAOYSA-N	517.155	4.253	5	40	KIBB	
CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)c1	101184048	IWQXEEHDZDOYMZ-PLXFJCCSSA-N	549.536	4.070	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1	224149660	ISODQFWOETYOLA-QHCPKHFHSA-N	566.680	4.288	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408641353	KATSPANIBDXBHQ-KAYWLYCHSA-N	617.636	4.252	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733211	GJEAXDFWJYDCIN-IYVASWNSSA-N	589.626	4.292	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c2=O)=N1	409043137	ZRKYBORIEKFCQA-JGTYQCAFSA-N	572.039	4.157	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409178733	OBGJWCSDVLGQQD-GVMLUORFSA-N	587.610	4.062	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccccc1Cl	409361939	FPSYRUOLIXAJIM-CQSZACIVSA-N	502.984	4.390	5	40	KIBB	
Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)NC2CCCCC2)c1	13133882	JVXUJZXOPSCGIF-QGZVFWFLSA-N	503.577	4.007	5	40	KIBB	
COc1ccc(CNC(=S)NNc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1	97981356	AZVKSMBBHAAPFJ-UHFFFAOYSA-N	522.008	4.049	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N=P(c1ccc(N(C)C)c2ccccc12)(N1CCOCC1)N1CCOCC1	97984863	NZKSVMPCAFWAQV-UHFFFAOYSA-N	539.573	4.475	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccc(C)cc1	100568298	KKYVCVHQUQXUBK-UHFFFAOYSA-N	539.595	4.138	5	40	KIBB	
CCCCn1/c(=N\C(=O)c2ccccc2Br)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	100820846	GXZVHJDCWYPEGB-SLMZUGIISA-N	523.387	4.130	5	40	KIBB	
CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@H]2C[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1	101175587	YZYXUQGPUKSYBA-VTINZAFFSA-N	548.646	4.089	5	40	KIBB	
CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@](C)(CNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	103245969	YMEPFKDAUUAOLX-BSEYFRJRSA-N	558.504	4.064	5	40	KIBB	
O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105306521	SJIDBNMYHAOEAP-UHFFFAOYSA-N	540.001	4.464	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1Cl	105825997	RWONSWPOVBRZIK-UHFFFAOYSA-N	532.066	4.474	5	40	KIBB	
O=C(OC[C@@H]1O[C@H](n2cnc3c(S)ncnc32)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	263602647	MOJHLYYJCLGEGP-KKMWARJNSA-N	731.612	4.045	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4cccs4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408644263	QUNOOCCADVZGHB-DHIUTWEWSA-N	573.583	4.457	5	40	KIBB	
CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@@H](c1cc(OC)c(OCc3ccccc3)cc1[N+](=O)[O-])N=2	408732637	SVLNWFOMHUTGAF-VVNKCDPRSA-N	551.621	4.155	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c2=O)=N1	409050504	WOMDDKAIWCXSAO-XSZPGNIMSA-N	529.574	4.275	5	40	KIBB	
COc1ccc([C@@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1	618251084	QZTPDYZSVYBBHM-COBVFFFXSA-N	542.636	4.443	5	40	KIBB	biogenic
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21	16012234	NGFOLCMPKJGNRL-FKPFRUIKSA-N	522.561	4.226	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(OC)c(OC)c3OC)[C@H]2C1=O	101234333	ZYJAUJFJYYVXMJ-PLXFJCCSSA-N	549.536	4.070	5	40	KIBB	
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105306477	GFLIRBPXCRFZNU-UHFFFAOYSA-N	552.016	4.254	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	260941475	OVTAGDANMZPARB-MUUNZHRXSA-N	610.733	4.090	5	40	KIBB	
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)C(=O)O)o2)c1	408633579	NYXUSEDAZGXOEZ-WCSRMQSCSA-N	571.305	4.190	5	40	KIBB	
CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409043358	QHVSSSXIOZOJES-VCHYOVAHSA-N	506.920	4.435	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	15229727	CECREJZKXBRUAY-UHFFFAOYSA-N	517.991	4.119	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222740132	TZYNRCNHVMLBJZ-KRWDZBQOSA-N	579.462	4.260	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225301678	DWHWQWCJKXRPIE-MUUNZHRXSA-N	580.707	4.226	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)cc1	260890874	LRNPTSXDEKEBNO-HSZRJFAPSA-N	566.680	4.288	5	40	KIBB	
O=C(COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1)c1ccc(Br)cc1	408640289	IPINGLOYVMPMRW-SFHVURJKSA-N	566.364	4.389	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1	408691137	YKTIAKBCEWLVCD-XVLRFGCZSA-N	597.624	4.392	5	40	KIBB	
O=c1/c(=C/c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1	1815390	PTBVCQORAWLJQS-RWTNITNYSA-N	560.975	4.494	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224683881	GQQJRCLOUSNGHI-QHCPKHFHSA-N	596.706	4.359	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225354270	HYKGLBWJSPIOAA-FGZHOGPDSA-N	582.679	4.131	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	261030974	JOPKHYOABHYXDR-HHHXNRCGSA-N	610.733	4.233	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	261042867	YWKBXUIZIKLESA-VXKWHMMOSA-N	582.679	4.131	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409099036	RRRRFJMVXXUXFM-FCYPAOMHSA-N	580.110	4.265	5	40	KIBB	
COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	409182310	KOEXSZHTCZGSDP-RUZDIDTESA-N	507.455	4.398	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	409270881	BGWBGJCORVZIJV-XKZIYDEJSA-N	599.555	4.199	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccccc3)C2=O)o1	409398319	CUMVBBAKZLFTFV-ZDLGFXPLSA-N	511.874	4.300	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1	3771192	DMJPLWKVOHFKPX-QNCNLXEUSA-N	535.965	4.090	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1	10692658	YYCNVXJEOPFLKP-UHFFFAOYSA-N	502.376	4.091	5	40	KIBB	
COc1ccc(Cl)cc1C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	16226778	DZTMRWJLVPXSEI-UHFFFAOYSA-N	502.902	4.113	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2C=Cc4ccccc4[C@@H]32)cc1	33918950	IUTWYLKQEPPCIC-QYOOZWMWSA-N	507.502	4.196	5	40	KIBB	
CCCCn1/c(=N\C(=O)c2ccc(C(F)(F)F)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	102820986	ZKKWQRQCSDOXGN-VAMRJTSQSA-N	512.488	4.386	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1ccc(OC)cc1	164530581	LFFXBDBSKCGZHY-GLSAMTQTSA-N	636.480	4.321	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225428497	WZNHFEARZJGXHP-XZOQPEGZSA-N	566.680	4.165	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408641354	KATSPANIBDXBHQ-RRPNLBNLSA-N	617.636	4.252	5	40	KIBB	
COc1ccc(Cl)cc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O	408644371	STTADABIVHWCOB-AWEZNQCLSA-N	535.896	4.016	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408686859	SMRXKCCDQWOYNZ-HKUYNNGSSA-N	516.337	4.483	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408844560	KESKNDXNWAGQEX-LWUPDDLQSA-N	682.496	4.491	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OC(C)C)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC	408949181	SDCRVPKQCYPXQG-RLMQVFMBSA-N	646.516	4.273	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409095799	IDXKQAAWGKAGGN-RGFRMHDHSA-N	602.669	4.289	5	40	KIBB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc([N+](=O)[O-])o3)c2=O)=N1	680779	WPEFWBNGSJTUME-DUBROFONSA-N	520.954	4.029	5	40	KIBB	
Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cccc1[N+](=O)[O-]	4109769	BPWSSZQCAMLYNX-UHFFFAOYSA-N	509.613	4.054	5	40	KIBB	
CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N21	8837472	BGGHYNLSYCAQES-MSNJVRRCSA-N	517.925	4.354	5	40	KIBB	
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)nc12	9404236	SSRJZXSMEVPJEF-UHFFFAOYSA-N	510.553	4.217	5	40	KIBB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@H]2[C@H]1[C@@H]1C[C@@H]2[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	101175819	SASMKRFOAOLSTI-ACHSYGSYSA-N	535.603	4.031	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	111460917	ZYTYIIUDBGUNFS-ZGOFBEGVSA-N	589.626	4.374	5	40	KIBB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223562751	PORIGDNTHFPZNC-NRFANRHFSA-N	573.499	4.390	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225217388	VBCVGPGGLCKTJY-NHCUHLMSSA-N	570.643	4.261	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21	408642858	FIXOIAKILORTLL-JRQSSSKMSA-N	516.337	4.339	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408683988	MTFYHTSTWUXGMY-JSNMRZPZSA-N	500.349	4.336	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1	408997500	GVLAKKLWNRQKCG-VFHYMGCCSA-N	573.652	4.271	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409139195	BGESOIGNMPHBGB-FYJGNVAPSA-N	653.451	4.072	5	40	KIBB	
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C1CCN(Cc2ccccc2)CC1	1877108	STHHMEFBLYHIME-GRKNLSHJSA-N	549.631	4.426	5	40	KIBB	biogenic
O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22824499	SPKOFPLTNAZRLG-UHFFFAOYSA-N	501.587	4.006	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224827030	MBIBOZQSFUPRJR-JOCHJYFZSA-N	573.499	4.247	5	40	KIBB	
Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c1	408656993	ICOKQYFYPFDILM-GOSISDBHSA-N	513.506	4.279	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1	408732212	PLKFUGPKAATNSG-JZVSFUAJSA-N	518.378	4.122	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	409080797	OFXXKKSGFKCCAP-WXXWBPKISA-N	697.358	4.344	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1	409107877	XLLGZXFCGUCWCC-OGRZUZBBSA-N	617.709	4.437	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)N1CCN(c2ccccc2)CC1	409204091	AWKNSPMQQZKJBV-XQNSMLJCSA-N	518.551	4.240	5	40	KIBB	
O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1	8449503	WNIZCHVNUWAPDP-OJKWPBSESA-N	654.267	4.226	5	40	KIBB	
COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)CC2)c1	8903421	LIYDAJLLTVFQGU-UHFFFAOYSA-N	524.961	4.480	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2C/C(=C\c3cc([N+](=O)[O-])ccc3O)c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1	100157760	BHDYQDFZUZUFGR-OVCLIPMQSA-N	512.456	4.175	5	40	KIBB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222634968	PHQFJMBGQCXOLK-OAQYLSRUSA-N	552.653	4.122	5	40	KIBB	
CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n21	409013484	KMPKUIKVWIVYJF-PQRKSKNISA-N	633.679	4.390	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(C)c(OC)c1	409168100	KDCMSIDDCNMCAR-KEQCBNTKSA-N	559.600	4.202	5	40	KIBB	
COc1ccc(NC(=S)NC(=O)c2cc(Br)cc(Br)c2OC)c([N+](=O)[O-])c1	105305489	RKPNMOWALVGGMX-UHFFFAOYSA-N	519.171	4.264	5	40	KIBB	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1	105352726	HCUDVMVTOKHWCU-UHFFFAOYSA-N	538.674	4.017	5	40	KIBB	
COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	215257172	RTDNRXGARPUIKF-RQZCQDPDSA-N	507.318	4.146	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222550735	UZULSIDSNGFIRG-GDLZYMKVSA-N	604.660	4.315	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222740211	SMSWDCGXBVZYGU-QGZVFWFLSA-N	579.462	4.260	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225118752	XJLKRTOBBXXLJH-VWLOTQADSA-N	558.701	4.234	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408648611	WUKHHRBVNPRYNZ-LROUJFHJSA-N	614.567	4.384	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@@]12C(=O)Nc1ccc(Cl)cc12	97954535	RPTKCNLFCBXWBF-FJJKMLSJSA-N	528.952	4.263	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	102517819	BUZKHMBVYWCUFL-LKSLQULUSA-N	566.522	4.165	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	103626908	LKSNRCYQFCLPES-KEPJHFNWSA-N	615.664	4.303	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O	104063551	OGDFZUCTTIDXJD-POTDNYQPSA-N	523.501	4.030	5	40	KIBB	
CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	139305428	GHMKTBGOUYIFFC-UHFFFAOYSA-N	537.627	4.299	5	40	KIBB	
CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223880909	GZSOYZMYQIOXEV-NRFANRHFSA-N	603.525	4.400	5	40	KIBB	
CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225021507	IVZBAXATFHSMGY-SANMLTNESA-N	631.549	4.288	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4c5ccccc5C=C[C@H]4[C@@H]3C2=O)cc1	248383112	ZGETZZNNHXRIDU-CQJMVLFOSA-N	507.502	4.070	5	40	KIBB	
O=C(CCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1	408672221	ZWIOOKBTBSGNLB-BVSWHAQMSA-N	579.392	4.304	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccs1	408826835	DEZMXDQYJITSLE-ZRELAVNMSA-N	539.566	4.167	5	40	KIBB	
CN(C)c1ccc([P@](=O)(Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)c(NC(=O)c2cccs2)c1	101945692	MGNIKYAMBTUHBE-UMSFTDKQSA-N	515.532	4.237	5	40	KIBB	
Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	105315467	VNPWQAHODBVKGE-UHFFFAOYSA-N	522.616	4.105	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112238982	YTYFLITUCJZRDF-UHFFFAOYSA-N	609.108	4.174	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222692441	JRIRMVMVELXHJX-QGZVFWFLSA-N	579.462	4.260	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	260869262	KGGPXKZLPIJOSI-HHHXNRCGSA-N	601.125	4.487	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cc(Br)c(OC(C)C)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC	408949189	SDCRVPKQCYPXQG-VWHXEVSBSA-N	646.516	4.273	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409099038	RRRRFJMVXXUXFM-KDSDTBODSA-N	580.110	4.265	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409165259	VKDPXYATQPGCNW-FMCGGJTJSA-N	601.590	4.494	5	40	KIBB	
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	3348107	CPHFCJSSVZLYKW-UHFFFAOYSA-N	521.913	4.400	5	40	KIBB	
COc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC	197871856	ICVVVOYSBRVROA-MFCBUNOESA-N	525.586	4.244	5	40	KIBB	
CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCC	408563894	BJIINNSCKXNVPV-WKKBNRPRSA-N	516.392	4.301	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)c1	408657989	UMUZQFUEORJYDW-UIOOFZCWSA-N	583.553	4.014	5	40	KIBB	
COc1ccc2c(ccn2CCCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)c1	604404846	SYFWDURWDMOJTJ-IDXVCMOXSA-N	567.646	4.091	5	40	KIBB	biogenic
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1c[nH]c2ccccc12	1875405	OWRDTPDMHMQVOR-LITSAYRRSA-N	519.561	4.485	5	40	KIBB	biogenic
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc(C)c1C	18066317	XUBDRKSUSLFYIY-HKBOAZHASA-N	507.524	4.111	5	40	KIBB	
COc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc(C(=O)Nc3ccccc3C)c2)cc1[N+](=O)[O-]	139065368	NRTLJOAQXMDUKU-UHFFFAOYSA-N	519.510	4.309	5	40	KIBB	
Cc1ccc(-c2csc(NC(=O)CSc3nnc([C@H](C)NC(=O)c4ccccc4)n3C)n2)cc1[N+](=O)[O-]	143118070	WHJBIQRQVBQISE-HNNXBMFYSA-N	537.627	4.377	5	40	KIBB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1NS(C)(=O)=O	225488087	PWMXYSQVWBEGFJ-JWQCQUIFSA-N	564.649	4.338	5	40	KIBB	
O=C(OC[C@@H]1O[C@H](n2cnc3c(S)ncnc32)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	263602649	MOJHLYYJCLGEGP-SRVGMEOJSA-N	731.612	4.045	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4)c(=O)n32)cc1OCC	408939019	SVVGTQDIYJSQBL-FVMAXLJRSA-N	646.634	4.424	5	40	KIBB	
Cc1cc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)ccc1Br	20239122	ZXILCAZYXNXCHH-UHFFFAOYSA-N	504.362	4.500	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	205912130	WLHJWGVLHXPJOS-CIAFOILYSA-N	542.526	4.353	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222956056	HQFFDTKSWMKTPG-JOCHJYFZSA-N	552.653	4.124	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223247824	SXXHYSXTXBDVMP-CVEARBPZSA-N	522.396	4.077	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408642755	FDUDFGBIKYRHHD-PLQXJYEYSA-N	570.514	4.487	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21	408642856	FIXOIAKILORTLL-GQNMWPQZSA-N	516.337	4.339	5	40	KIBB	
COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@H](c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1	408730451	GNTOJLZNLPISDC-BBXSYUKCSA-N	510.502	4.434	5	40	KIBB	
COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	8652994	DLROLUIVVKTFPW-LVEBQJTPSA-N	520.494	4.134	5	40	KIBB	
O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-]	100317454	WLSHESCFUFXPAQ-UHFFFAOYSA-N	567.627	4.472	5	40	KIBB	
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(I)c1OCc1ccccc1Cl	100378363	SFNVSELWJAPMPT-VOTSOKGWSA-N	555.712	4.400	5	40	KIBB	
CCOc1ccc(N2C(=O)/C(=C\NNc3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])c3ccccc3C2=O)cc1	103004650	HTHXBPXADBZEEK-MOHJPFBDSA-N	579.635	4.169	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222643731	WKRPOOGKNFRUJU-QGZVFWFLSA-N	579.462	4.260	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224842661	ZWVRIIGGDHVSSH-SANMLTNESA-N	519.598	4.455	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1	260806544	SCZXVVPCYNDCGF-OAQYLSRUSA-N	582.679	4.131	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl	408592710	ODJACOVESPQHJV-UHFFFAOYSA-N	519.963	4.408	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1cccc(OC)c1	408832260	SJKYJSGTZOIYQO-RISWYLRJSA-N	559.600	4.284	5	40	KIBB	
O=C(NC(=S)Nc1ccc(I)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	14274378	QXWHZTAUVVJQQC-UHFFFAOYSA-N	510.357	4.317	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OC)c(OC)c3OC)[C@H]2C1=O	101234328	ZYJAUJFJYYVXMJ-UMFSSWHCSA-N	549.536	4.070	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	214662150	VCUZSQHCQUJCIO-FYJGNVAPSA-N	606.451	4.230	5	40	KIBB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223471350	GRBMHRYEUXBDFR-NRFANRHFSA-N	573.499	4.390	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O	225238790	NCNDEJQHDKWUSM-LJAQVGFWSA-N	622.744	4.458	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225428628	QQWUAEKXBGTHJS-HHHXNRCGSA-N	566.680	4.166	5	40	KIBB	
COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(N5CCOCC5)cc4)C3=O)o2)c([N+](=O)[O-])c1	409145359	OPTILIZWHNYIHI-BUVRLJJBSA-N	564.576	4.375	5	40	KIBB	
COc1ccc(-c2csc(NC(=S)NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)cc1Br	100320325	TUZQIFMSSNQFFY-UHFFFAOYSA-N	523.390	4.381	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222692516	JRIRMVMVELXHJX-KRWDZBQOSA-N	579.462	4.260	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	408842044	NNCPIDMWTZOQJX-CBYYHRJHSA-N	563.563	4.114	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(SC)cc1	409001933	YBHHKKADHKGKLL-ZTTNJJDWSA-N	547.614	4.159	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1	409142206	SERHJPSKOSQKBT-GVMLUORFSA-N	617.709	4.273	5	40	KIBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2	8685090	FAVRMHZHOQIBIC-KBTRNUBCSA-N	509.024	4.428	5	40	KIBB	aggregator
O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22827069	YSZZKQBCBYDKLU-UHFFFAOYSA-N	503.540	4.366	5	40	KIBB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc([N+](=O)[O-])cc2)CCC3)cc1	97979011	JQEYPKPGJNIZBE-MNDPQUGUSA-N	572.599	4.463	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N\C(=O)c1ccccc1OCC	101105287	IKVOEYOXRCMVEC-MXNGAVTRSA-N	546.624	4.089	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cccc(OC)c1OC	102921418	MFLRASWNVGIDHR-GKPLWNPISA-N	530.581	4.089	5	40	KIBB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223471402	GRBMHRYEUXBDFR-OAQYLSRUSA-N	573.499	4.390	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(OCC)cc1	8400057	CUKYSVSCQFJCKC-ZEZCTPEWSA-N	640.718	4.079	5	40	KIBB	
CC1(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@](C)(CNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	103245972	YMEPFKDAUUAOLX-SHACYNPGSA-N	558.504	4.064	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1Cl	408552297	LMUWUQRCWDWAED-UHFFFAOYSA-N	505.936	4.384	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409150642	DDSJLQADZWNWDL-ZVBGSRNCSA-N	550.505	4.194	5	40	KIBB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	409233645	LOFOMWQJRDHCLV-HYARGMPZSA-N	546.536	4.113	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O	409382062	KXKIPCVTSKWYEA-NHCUHLMSSA-N	577.329	4.385	5	40	KIBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCC(c2nc(O)c3nnn(Cc4c(Cl)cccc4Cl)c3n2)CC1	1324996	MNGLGMSNLNWQQC-UHFFFAOYSA-N	528.356	4.210	5	40	KIBB	
CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)CC2)cc1	105394256	VNWKZYZYGOLJEP-UHFFFAOYSA-N	543.624	4.209	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224363889	ZZSZTHGVGPEGTB-RUZDIDTESA-N	523.561	4.288	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NC(C)C	225480787	RYXWAFSCVYABOW-QFIPXVFZSA-N	552.653	4.040	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1	408658414	VAKLCUUMSATXFN-WMPKNSHKSA-N	567.554	4.314	5	40	KIBB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	408671023	RUIHSZPMTJJCRN-ZDUSSCGKSA-N	524.755	4.162	5	40	KIBB	
O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1	408672223	ZWIOOKBTBSGNLB-HVJZFTSCSA-N	579.392	4.304	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408734414	XZJKHFHGYKVNOA-QCHPHUCNSA-N	535.603	4.336	5	40	KIBB	
Cc1nn(CC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)c(C)c1Br	15086113	LVUQUEYXAGBFIB-UHFFFAOYSA-N	510.968	4.334	5	40	KIBB	
CC1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1	22842953	ZGVTZVPFYZGTEB-UHFFFAOYSA-N	518.039	4.448	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	98000142	JDEKMCAUEFMCIR-ZRBLBEILSA-N	554.353	4.426	5	40	KIBB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224712018	VPFWJTRVIPCERE-HXUWFJFHSA-N	617.522	4.495	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc2c(c1)OCO2	408731695	PDXRAERZROLGPV-FCVOFCDTSA-N	629.647	4.132	5	40	KIBB	
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1	408826555	HEHXKXBMZQYRQA-XYMPBJBSSA-N	632.798	4.370	5	40	KIBB	
CCOC(=O)c1c(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)sc(C(C)=O)c1C	409145820	RNFZAMMYLMXICW-HXUWFJFHSA-N	602.695	4.330	5	40	KIBB	
CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(Br)cc2)n[nH]1	409151051	GGPMMSMSAFJFLL-SFHVURJKSA-N	533.408	4.333	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2ccccc2OCC)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	101123529	HGILWOGGXGOIFX-JVCXMKTPSA-N	502.571	4.156	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	2279875	YCWYZIHKEKUMPS-QCHPHUCNSA-N	535.965	4.230	5	40	KIBB	
O=C(OCC(=O)N(C[C@H]1CCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1	14167292	CPUZOTBUEHGDDF-LLVKDONJSA-N	510.343	4.452	5	40	KIBB	
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22825636	IZWBESMFZTYULR-UHFFFAOYSA-N	502.556	4.102	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NCC(C)C)c1	260939057	ZPIUGENKECQKOF-HSZRJFAPSA-N	566.680	4.288	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	261028335	WRNHDBMUQDELPD-GDLZYMKVSA-N	592.718	4.368	5	40	KIBB	
Cc1cc(I)ccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C	409140482	FMBDCBHUXZJZJG-UHFFFAOYSA-N	509.329	4.034	5	40	KIBB	
CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)ccc1Cl	409166211	CRJYKRLJRZQLFV-GIJQJNRQSA-N	519.919	4.196	5	40	KIBB	
O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cccc(I)c1	409367522	DCGXBFULDGGRDW-ISQHLFTMSA-N	522.298	4.076	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	2146622	DDVYITMRRONZMK-CMISJSSVSA-N	555.612	4.286	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N/C(=O)c1c(OCC)ccc2ccccc12	2722740	JMVJGGCAIDOZFC-PJJLUWSFSA-N	554.603	4.155	5	40	KIBB	
C[C@H]1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1	104200339	TUKROMYUXCQTMV-WQPYXDDYSA-N	595.473	4.154	5	40	KIBB	
O=C(Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br)c1ccccc1[N+](=O)[O-]	105984106	NPPJCSDYHAXPKH-UHFFFAOYSA-N	530.194	4.347	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	223006232	WZCGGZAFEPTLMP-HNNXBMFYSA-N	589.498	4.008	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-]	224728887	DZXBJXMACNJUBS-MRXNPFEDSA-N	534.407	4.221	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225259009	OGQMJSQTSIEVFL-SANMLTNESA-N	570.643	4.263	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Br)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408678008	CLQIAMGVBQXNMR-UHFFFAOYSA-N	525.271	4.119	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3O)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408731593	MBEZEHFBGNRROO-DQARITGZSA-N	601.637	4.109	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccccc1OC	409088277	KSAJBASYGNRDCJ-RBRLEXCSSA-N	589.718	4.011	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	2286058	FOPBUBPLXXMXES-QCHPHUCNSA-N	535.965	4.230	5	40	KIBB	
Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc(S(C)(=O)=O)c([N+](=O)[O-])c4)cc3)sc2c1	3371623	ZVBQAGAESBNINZ-UHFFFAOYSA-N	525.564	4.379	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1	6489186	BWPVLWYVZBAJOU-GVMLUORFSA-N	559.600	4.284	5	40	KIBB	
Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	97945601	NXGKSJWUQMFJNU-UHFFFAOYSA-N	532.505	4.088	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)/C=C/c1ccccc1	103629310	WKJWWDYQSGNLKZ-BAKPOBOCSA-N	504.546	4.015	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408647752	VMQXZLYFQUPGEA-OXXFDUNKSA-N	636.573	4.015	5	40	KIBB	
CCOc1ccccc1CCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408715088	OHLGHGJZXNJTQW-UHFFFAOYSA-N	541.626	4.255	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408837563	IVGGOXADZCIUIQ-MFCBUNOESA-N	635.651	4.001	5	40	KIBB	
CCCCn1/c(=N\C(=O)c2ccc(Br)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	2725702	NSTIPTKTBUQFML-SLMZUGIISA-N	523.387	4.130	5	40	KIBB	
COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4ccccc4F)CC3)ccc2[N+](=O)[O-])CC1	9721000	BONULUJFBBVEAU-UHFFFAOYSA-N	519.577	4.032	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1cccc2ccccc12	100956140	XLVYQSMYTYWGGK-VVOOWDFBSA-N	594.443	4.328	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223477659	VVPISRXHPISJPV-QFIPXVFZSA-N	582.679	4.132	5	40	KIBB	
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225146092	ROWBYYCMTLMMPW-HSZRJFAPSA-N	595.118	4.279	5	40	KIBB	
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225348338	FAMNHEKGRMIAMS-HSZRJFAPSA-N	513.591	4.247	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1	408780230	VWLSMEHIJQBTHK-PRLWALMFSA-N	603.628	4.433	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O	409377454	IGNOUMZCCYUTKO-LEWJYISDSA-N	577.329	4.385	5	40	KIBB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1cc(=O)oc2ccc3ccccc3c12	3376736	OHISOEMLEGJURE-KOEDOTQGSA-N	512.971	4.221	5	40	KIBB	
O=C(OC[C@@H](O)[C@@H](O)[C@@H](O)C(SCc1ccccc1)SCc1ccccc1)c1ccc([N+](=O)[O-])cc1	4990459	DHRPASIRUCDCDZ-WXFUMESZSA-N	529.636	4.027	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1C(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O	98001639	NBDDQAOODWZPAD-UHFFFAOYSA-N	539.592	4.379	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	105497016	ATWBVWCITCNYNE-YVBHXKDBSA-N	615.664	4.303	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224394760	AJSNLGRIGFMUKR-SANMLTNESA-N	661.575	4.298	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225552311	UTEURXNKDLWYSC-SSEXGKCCSA-N	600.697	4.485	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1	408658410	VAKLCUUMSATXFN-UIOOFZCWSA-N	567.554	4.314	5	40	KIBB	
COc1ccc(N(CC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	409115793	HJXQAQVHCJFUTE-UHFFFAOYSA-N	589.070	4.118	5	40	KIBB	
COc1cc([C@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc(OC)c1OC	19816681	SEENDYOGTBXSRP-OAHLLOKOSA-N	521.555	4.263	5	40	KIBB	
Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(C)n1Cc1ccc2c(c1)OCO2	35341239	OOAVOBPEMMXPPX-UHFFFAOYSA-N	505.527	4.430	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	102973949	JDEKMCAUEFMCIR-DNVJHFABSA-N	554.353	4.426	5	40	KIBB	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)ccc1Cl	409197499	HDEOICHMAMAJDB-APSNUPSMSA-N	554.762	4.472	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1=O	409272987	OWWVNMAQRADLAW-QRVIBDJDSA-N	583.600	4.355	5	40	KIBB	
CCCn1/c(=N\C(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	2343932	ZMVRGWIKMGUSLZ-CTTZDURGSA-N	504.974	4.338	5	40	KIBB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl	20006485	OUYGSGCMPDCGSY-OAQYLSRUSA-N	503.964	4.094	5	40	KIBB	
CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccs3)n2-c2ccc([N+](=O)[O-])cc2)cc1	100816856	UUIWBIOXUDQPJB-UHFFFAOYSA-N	538.611	4.297	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565083	HPVHMXFRUCFCCB-MQVPCNEGSA-N	508.918	4.349	5	40	KIBB	
COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	409071682	OXINXRJPSMRFRA-IWIPYMOSSA-N	533.562	4.330	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccccc1Br	108062656	KUOIIOLMTZEWEK-UHFFFAOYSA-N	532.464	4.185	5	40	KIBB	
NC(=O)C[C@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408654223	KFHBRTLTYOUWIO-VRTXKXEJSA-N	628.852	4.129	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc([N+](=O)[O-])c4)cc3Br)C2=O)o1	409399841	NMYKZGGPNVWDDA-OCKHKDLRSA-N	586.351	4.417	5	40	KIBB	
Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1	1396990	LLMBSRYLOCRIKK-SFHVURJKSA-N	538.449	4.304	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1	100306705	XBVFMZIGEXMOGU-ABBNRAPFSA-N	555.612	4.286	5	40	KIBB	
Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12	100354551	KBROJFJMPNPKPX-LJAQVGFWSA-N	564.650	4.194	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc(OC)c(OC)cc3[N+](=O)[O-])C2=O)cc1	102768233	OLGQGZQSNYLOIX-KKUQBAQOSA-N	533.537	4.452	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	224442500	LKILDUNERQGUDO-SANMLTNESA-N	614.696	4.063	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225703193	YEGGSIUWBZAKGG-AREMUKBSSA-N	552.653	4.122	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1	261011704	SLDYPWVEJIJWBE-GDLZYMKVSA-N	592.718	4.368	5	40	KIBB	
COc1c(I)cc(I)cc1/C=C\c1onc(C)c1[N+](=O)[O-]	408540978	AIXKNDNRQMWPJU-ARJAWSKDSA-N	512.041	4.279	5	40	KIBB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)c(C)c1	408644711	HJTKJTBQCQJLIV-OAQYLSRUSA-N	516.506	4.210	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c(OC)c4)c(=O)n32)cc1OCC	408941600	WIEACWSSOJISDO-NHFJQHJOSA-N	676.660	4.433	5	40	KIBB	
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21	2334522	NGFOLCMPKJGNRL-TXMPGWIESA-N	522.561	4.226	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cc(OC)c(OC)c(OC)c1	102921428	UFXPLOSMLNAGDP-QVAGMWBUSA-N	560.607	4.098	5	40	KIBB	
CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	103017435	WSXGVDSLQZEMJV-UHFFFAOYSA-N	538.003	4.413	5	40	KIBB	
C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	103093158	CNCLCHHJVXUODY-CQSZACIVSA-N	595.508	4.370	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	105497011	YOIWYICTRBKZLH-VPHSIRQSSA-N	615.664	4.303	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	105497548	CHDWQIWZBXQUCR-VPHSIRQSSA-N	615.664	4.303	5	40	KIBB	
CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	150469540	RLBDMAGACWNALF-QHCPKHFHSA-N	648.488	4.062	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1	408584577	ROAGCOAHGLQTES-NRFANRHFSA-N	518.389	4.194	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC	408829914	MNLMIMNRXZFUCZ-CBYYHRJHSA-N	563.563	4.114	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409041338	UZYXXKQKFBSYKB-PGNBASISSA-N	717.753	4.245	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409274726	XBQDFGFVZUQPEZ-UCQKPKSFSA-N	546.561	4.412	5	40	KIBB	
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12	3305652	UXRBRKGMNWOJHK-UHFFFAOYSA-N	528.550	4.468	5	40	KIBB	
COc1cc([C@H]2c3cc4c(cc3[C@H](Nc3ccc([N+](=O)[O-])cc3)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O	8652993	DLROLUIVVKTFPW-MGKKLRQFSA-N	520.494	4.134	5	40	KIBB	
C[C@H]1CCC[C@@H](C)N1CCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12	9860268	JEVUGXBXHKECDP-OYRHEFFESA-N	510.646	4.294	5	40	KIBB	
CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1	100826164	BJLHZWATVWWLOE-DEOSSOPVSA-N	528.612	4.205	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1	248135114	MQWAIZJUSZVKJB-POTDNYQPSA-N	525.517	4.010	5	40	KIBB	
Cc1cc(OC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408640520	JEAZPZNVIREQEN-HKUYNNGSSA-N	513.506	4.219	5	40	KIBB	
Cc1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc([N+](=O)[O-])c1C	408990121	MPKUVCSATSNDNJ-OAQYLSRUSA-N	579.416	4.345	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c(Br)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409144100	XJOMHIRWIFVNER-JGZDWKDESA-N	556.438	4.086	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccc4c(c3)OCO4)C2=O)o1	409402995	YBBYJNBWRYOGLD-IUXPMGMMSA-N	555.883	4.028	5	40	KIBB	
Cc1cccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4cccc([N+](=O)[O-])c4)c(=O)n3n2)c1	9358338	LFFXAXMIMZPXBT-HAHDFKILSA-N	506.547	4.435	5	40	KIBB	
C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	12546624	BRTMUCBFSAUUOG-BZUAXINKSA-N	523.995	4.099	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	103603330	JJZUFVCEHILGBW-YJADQXIJSA-N	594.074	4.301	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C(=O)NC(C)(C)C)cc1	223073841	BWGXJOGPJGUEON-QFIPXVFZSA-N	626.732	4.448	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223347037	KFPDBLFIWXHZFL-AREMUKBSSA-N	587.098	4.099	5	40	KIBB	
CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223922074	GHTPZYDXOBATGH-QFIPXVFZSA-N	573.499	4.391	5	40	KIBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3nnc(Cc4ccccc4)n3Cc3ccc(Cl)cc3)cc21	408541804	DVOPWKKFCPHAEH-UHFFFAOYSA-N	578.054	4.400	5	40	KIBB	
CN1C[C@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408568287	SXMNTYZNVNEIIT-RZPHLTDDSA-N	553.369	4.458	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C	409130434	HKZWACJZFVTCCP-QFIPXVFZSA-N	526.619	4.381	5	40	KIBB	
COc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	6973821	IUGIPHJFLCVFCZ-UHFFFAOYSA-N	518.555	4.231	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1	9235836	IKQUMOKDPCFEJQ-SDHOMARFSA-N	519.510	4.149	5	40	KIBB	
COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	214984571	LQGIZRYBEWOLKQ-RQZCQDPDSA-N	507.318	4.146	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223707648	BJIKWUYACLOMJG-RUZDIDTESA-N	607.516	4.444	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224981261	AEHIHSRDFYZPJY-FCHUYYIVSA-N	552.653	4.122	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccs1	408785447	ZMEMNTHIKFCJPA-JGTYQCAFSA-N	592.611	4.469	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)cc4)c(=O)n32)cc1OCC	408940459	UPSBCIBVBMYJLX-UBMKPUGCSA-N	615.664	4.303	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1cccc(OC)c1	408998984	RAWMDFABZUXVOC-GLSAMTQTSA-N	636.480	4.321	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	409024971	OLXMQQLPIBTLBY-UHFFFAOYSA-N	501.586	4.468	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034186	PSRFMXJAODLONZ-AJAYTNACSA-N	718.697	4.358	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)ccc3OCC)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409141597	AMPLKQRCKGRAKG-FJWZAKCXSA-N	542.013	4.067	5	40	KIBB	
COc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1OC	12562789	ARYSVZVGLHVHRO-UHFFFAOYSA-N	519.963	4.039	5	40	KIBB	
COc1cc(C(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c([N+](=O)[O-])cc1OC	25423470	RZRBPRWFSHEIKB-LJQANCHMSA-N	513.890	4.393	5	40	KIBB	
CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1	100826177	HUVKLOGXLMKWFO-HSZRJFAPSA-N	532.575	4.036	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224224833	HOACZENDFLFGHT-AREMUKBSSA-N	617.124	4.189	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	408754734	HQTKBGDINYQUPE-VNSJDZJPSA-N	653.454	4.154	5	40	KIBB	
CC[C@H](C)n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	3307523	SKHDLNYDDRPIDZ-KRWDZBQOSA-N	517.633	4.138	5	40	KIBB	
O=C(OCC(=O)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	102513218	JPUGPPNVVZBAHA-LQBPYSJUSA-N	566.522	4.165	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1cc(C)cc(C)c1	103629659	CFOKPLGDOAUORV-MDVFONAFSA-N	520.589	4.427	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1	164530965	FDXTXRROBGBTCW-WDONWYDGSA-N	636.480	4.321	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C	408827821	VAOVRKSBHIWDEW-RQLGBQGVSA-N	663.490	4.107	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1	409025198	NMIIURVOQZEYAA-UHFFFAOYSA-N	544.589	4.359	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	409142209	SERHJPSKOSQKBT-KMBIYUNPSA-N	617.709	4.273	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409147946	WYXXTBVETDOUCQ-KEBMYNNESA-N	532.405	4.322	5	40	KIBB	
O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O)c1cccc([N+](=O)[O-])c1	990362	BBWBCXUDZOKZKO-UHFFFAOYSA-N	509.268	4.198	5	40	KIBB	
Cc1ccc(C(=O)[C@@H](C)OC(=O)CCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	97947938	JZJUYSLWTASBFP-LJQANCHMSA-N	546.532	4.476	5	40	KIBB	
COc1ccc(NC(=O)CSc2nc(-c3ccncc3)nn2[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	100285439	ZANUUMLVBNNNFW-QGZVFWFLSA-N	547.597	4.496	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)CCOc1ccccc1	103628801	JBGCSRFIIRAYHZ-QVTSOHHYSA-N	514.582	4.228	5	40	KIBB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224286428	PJSCQXMZIWRMCH-OAQYLSRUSA-N	570.643	4.119	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1	408569341	VRSHFCIBTAYRPY-HSWHJCFASA-N	503.530	4.468	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408653346	POAUKXNORNBYMT-VXKWHMMOSA-N	561.572	4.291	5	40	KIBB	
O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	16035252	ZULPAKODZSFDPI-CJRSTVEYSA-N	514.925	4.402	5	40	KIBB	
COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1	101159115	XXNYYPINKCEHAO-VSKRKVRLSA-N	524.327	4.417	5	40	KIBB	
CCc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	101220676	RADCEGHLIMOCJX-PLXFJCCSSA-N	533.537	4.234	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1ccc(OC)cc1	101443315	YPLUTGVBWMVEKY-ZUXOAJPSSA-N	610.692	4.453	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222614856	MRKWPYPRQGWKQQ-SANMLTNESA-N	570.643	4.261	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409197126	WPJHKVJDOQRHLZ-ROTLSHHCSA-N	641.636	4.126	5	40	KIBB	
Cc1cc(Cl)ccc1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	10060470	DIMDWCSDPZQKSA-UHFFFAOYSA-N	511.921	4.049	5	40	KIBB	
Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	14274728	HUDWDHGRMSACPB-UHFFFAOYSA-N	501.572	4.364	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(F)cc1	103784628	XWHWROVNPFNZSJ-UPWSPCOFSA-N	603.628	4.433	5	40	KIBB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	106740399	MPPQCRIAGJDTNZ-ZDLGFXPLSA-N	506.920	4.435	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OCc3ccc(Br)cc3)C2=O)o1	409401275	RXINONGNNLKKCS-WQRHYEAKSA-N	556.325	4.409	5	40	KIBB	
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	4647774	JJDZJBHGBNDFDJ-LBPRGKRZSA-N	509.949	4.295	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c2=O)=N1	104677071	LHFIWKMJPIWVNA-ZFWDJNJRSA-N	563.632	4.339	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)OCC)c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	106130811	HSDMPOHFBXFTCC-QPJBPQEWSA-N	601.637	4.452	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	111461317	ZKHDFJVIJOKHQK-BIWBSIMWSA-N	589.626	4.374	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	138907595	PVJKBBSYDJJEGO-QAPCUYQASA-N	516.337	4.483	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	408752423	HELSKFBOVCPTPC-RWTNITNYSA-N	565.991	4.238	5	40	KIBB	
N=c1c(C(=O)Nc2nnc(Cc3ccccc3F)s2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1	100903930	XGKDFABFKVGDPQ-UHFFFAOYSA-N	551.607	4.205	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	223039489	OWBPECFCSRSXSR-QFIPXVFZSA-N	626.732	4.448	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	260964239	ZPGIFNZAFASTAS-HHHXNRCGSA-N	631.151	4.435	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408945635	XEJQIHFLHCEMLH-RYOBIWAXSA-N	590.702	4.484	5	40	KIBB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)c1	409096710	GLPCZGXUMLRTEN-GJFKPFFXSA-N	603.682	4.045	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409097331	NJFMPZUHERNVDO-GXPYYPFNSA-N	624.100	4.315	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	3244953	CYCDCBPSVUAPMX-UHFFFAOYSA-N	599.361	4.415	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	6489175	BWPVLWYVZBAJOU-KMBIYUNPSA-N	559.600	4.284	5	40	KIBB	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2cccc([N+](=O)[O-])c2)C1	15946698	HTTAFJSRNXWGID-MRXNPFEDSA-N	500.621	4.330	5	40	KIBB	
CCSc1nnc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2-c2ccc(F)cc2)s1	100816775	LUYNHKVBMFABIB-UHFFFAOYSA-N	588.672	4.247	5	40	KIBB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)ccc23)C1	102415375	VCSDKODEQFMNRE-FGYAAKKASA-N	546.711	4.279	5	40	KIBB	
O=C(NC(=S)Nc1c(I)cc(I)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1Cl	150342041	QESRLZWXLMOTNR-UHFFFAOYSA-N	631.573	4.282	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225356475	AMYONVGBXDIFKH-MUUNZHRXSA-N	580.707	4.226	5	40	KIBB	
COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O	225435709	BSCZHEGTFLDLPA-LOSJGSFVSA-N	564.649	4.338	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccccc1N1CCOCC1	409207332	VMCVKPAWGMEJDB-HZHRSRAPSA-N	534.550	4.366	5	40	KIBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1cc(=O)oc2cc(C)ccc12	3356164	RDLDPAWELCVFNL-IBGZPJMESA-N	504.948	4.258	5	40	KIBB	
Cc1ccc(C(=O)[C@H](C)OC(=O)CCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	97947939	JZJUYSLWTASBFP-IBGZPJMESA-N	546.532	4.476	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1cccc2ccccc12	100955956	XWHSXWMEZIYZPD-VVOOWDFBSA-N	594.443	4.328	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1	223031751	SCZXVVPCYNDCGF-NRFANRHFSA-N	582.679	4.131	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223306776	RMIXEZJSNCYIFH-MRXNPFEDSA-N	559.472	4.001	5	40	KIBB	
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1	408619685	IMPJPOHFYUCYNA-UHFFFAOYSA-N	505.936	4.465	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408824445	QGBJCQQNOGSYLF-FJWZAKCXSA-N	542.013	4.147	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c(=O)n32)cc1OCC	408934069	LAYDXKDLBUIGFU-ROVVGBDQSA-N	589.626	4.292	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(O)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409100818	WYZLYLPOLMXWIF-QTQKINJDSA-N	633.708	4.059	5	40	KIBB	
COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409311530	AGRGEMFXWAABQT-DAXSKMNVSA-N	519.264	4.225	5	40	KIBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	59883562	GWZMCTLJFQAAOL-UHFFFAOYSA-N	584.607	4.369	5	40	KIBB	
CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1	100826174	HUVKLOGXLMKWFO-QHCPKHFHSA-N	532.575	4.036	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)c1c(OCC)ccc2ccccc12	101177312	CNFQMCRDTDLPDT-DMZMFEFLSA-N	566.614	4.298	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1OC	103890714	RIMILGZKTRPGBM-VPIUVCPKSA-N	539.544	4.193	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cc(OC)ccc1OC	163654677	YCUVKIQCMGQGIP-FZEVDNDPSA-N	645.690	4.311	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224060341	LUFULKQEBWNQER-SANMLTNESA-N	519.598	4.457	5	40	KIBB	
COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1=O	102097541	KBXPUTFVAKRFEA-GOSISDBHSA-N	552.923	4.255	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(F)cc1	111470165	WRHQTMXOFZTMJY-BIWBSIMWSA-N	573.602	4.425	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224180455	RUGGYIPNCNXNOQ-SANMLTNESA-N	617.124	4.189	5	40	KIBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409024041	RYQVRPIUDSEANY-CIAFOILYSA-N	516.510	4.022	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C)c([N+](=O)[O-])c4)c(=O)n32)cc1	409077182	CSWIMXOBPONNLP-GTWFGUSFSA-N	540.601	4.099	5	40	KIBB	
COc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1	14274741	BHFGTRDTHSOXOD-UHFFFAOYSA-N	509.544	4.176	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1ccc(OC)cc1	100307732	YPLUTGVBWMVEKY-WYQLEPPDSA-N	610.692	4.453	5	40	KIBB	
COc1ccc([C@H]2N[C@@H](c3ccc(OC)c(Cn4cc([N+](=O)[O-])cn4)c3)[C@H]3CCC[C@@H]2C3=O)cc1Cn1cc([N+](=O)[O-])cn1	101570278	LRBUOYLSQVFZDL-APAYWLHNSA-N	601.620	4.381	5	40	KIBB	
O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	408710492	VVNGJQKNTLIYDM-UHFFFAOYSA-N	535.454	4.434	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OCC	408738728	NGGFHWHSGHPVHJ-BIWBSIMWSA-N	589.626	4.374	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1	408928072	VPRDKAJXJQCTDZ-GMPUOFRTSA-N	636.480	4.321	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033483	LWVJIODIPVFFDF-JSXXSUDDSA-N	718.579	4.207	5	40	KIBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2/SC(=S)N=C2O)cc1	2949288	RYWZZPRMWIIAGC-RIYZIHGNSA-N	501.361	4.454	5	40	KIBB	
Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5cc([N+](=O)[O-])ccc5C)CC4)cc3)o2)cc1	102874480	CAJXVZOHWQIGCX-UHFFFAOYSA-N	547.593	4.075	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222643572	HNOOPZGRKKIYTH-QGZVFWFLSA-N	579.462	4.260	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225101020	JCBITZFJMZHXNH-XZOQPEGZSA-N	566.680	4.431	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	260862675	IOUBROBXRWGJIB-HHHXNRCGSA-N	601.125	4.487	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1	409104443	ZTVOSONRSFYVLF-BIWBSIMWSA-N	647.735	4.445	5	40	KIBB	
Cc1ccc(F)cc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C	409141625	JHJPOFATFTWZLW-HXUWFJFHSA-N	500.556	4.029	5	40	KIBB	
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)CC2	5640759	CRXFDHISRJTSDH-FQEVSTJZSA-N	506.511	4.074	5	40	KIBB	
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccc(Cl)cc2)c(OC)c1	18062434	LJQNYGCQFZJHGA-VABKMULXSA-N	509.902	4.317	5	40	KIBB	
CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	102925801	XQRCIVTXQFUDAS-UHFFFAOYSA-N	527.555	4.022	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225374758	KDGVXKHMTGRCLV-NDEPHWFRSA-N	626.732	4.449	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408729449	FJWSZXIIBVCXLB-PNZYDNNZSA-N	529.574	4.275	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccccc1OC	409107862	RPYGGQPTSIJUAE-XQNWCSQWSA-N	602.669	4.289	5	40	KIBB	
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1	21579989	TZDMJXIZYFETBO-UHFFFAOYSA-N	524.961	4.237	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	33353457	RJZGLRLCURVMHV-VPVLBGOXSA-N	638.452	4.458	5	40	KIBB	
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1	101589719	CFIFQVFEOMZXOE-NFGXINMFSA-N	537.528	4.101	5	40	KIBB	
O=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	108326914	UTHDUFDSPATSQD-UHFFFAOYSA-N	541.402	4.416	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223340021	BFUCUWHGPBIOSK-QDPGVEIFSA-N	580.707	4.224	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O	408663082	YCYOLRIWOUNXDF-QGZVFWFLSA-N	535.465	4.083	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409247431	CEGWVLGWDPAESX-WGARJPEWSA-N	623.665	4.301	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	409335091	NTPYCGQMIPPJRL-QARYAGPDSA-N	559.600	4.284	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1	2150536	MGYJKFKSJWDLDZ-LSYYVWMOSA-N	510.550	4.012	5	40	KIBB	biogenic
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc(N2CCOCC2)cc1	409144362	JVBQLHXUFYSLDD-HZHRSRAPSA-N	534.550	4.366	5	40	KIBB	
Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	6178050	DXKOTIPEFRLWDT-HHHXNRCGSA-N	542.644	4.456	5	40	KIBB	
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)cc1[N+](=O)[O-]	40399486	WMHVELRECBQYKM-AWEZNQCLSA-N	503.302	4.101	5	40	KIBB	
O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	59858661	IHRPEFSJEKYVCA-UHFFFAOYSA-N	521.305	4.319	5	40	KIBB	
CCCCn1/c(=N\C(=O)c2ccc(OCC)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	101140742	PITPVBUCMJBWTC-JVCXMKTPSA-N	502.571	4.074	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	103629532	SAOSRPSHDGIGBX-GDWJVWIDSA-N	557.950	4.177	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(F)cc1	103784630	XWHWROVNPFNZSJ-ZJTZAHLKSA-N	603.628	4.433	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)cc1	104945196	FUULZYMAOKGADX-XSZPGNIMSA-N	603.682	4.045	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225138766	JYZPUZJXMIHHNN-MHZLTWQESA-N	566.680	4.432	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccco1	408728981	ACBZBCXRASVQEA-SUAMDDGLSA-N	589.626	4.386	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037350	NHSRVHQWKHCGOI-DRBQYUEGSA-N	661.689	4.225	5	40	KIBB	
COc1cc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C(=O)O2)ccc1OC(C)=O	409188730	FUQKVFOMPPHFQY-XFXQNUIPSA-N	528.473	4.492	5	40	KIBB	
COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@@H]23)cc1	409336113	SHJXJLGBPJONAM-GIIILEAUSA-N	540.528	4.442	5	40	KIBB	
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59331444	VNENXULIPBVVTF-UHFFFAOYSA-N	518.555	4.070	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21	103534027	CRGUNCJDWJDPDE-MYDTUXCISA-N	500.898	4.010	5	40	KIBB	
COC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O	205675782	WOWDSPHKBMBJRS-QGMBQPNBSA-N	537.344	4.154	5	40	KIBB	
CS(=O)(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1	225405458	CBQXRSXWHZFMKN-RPWUZVMVSA-N	534.623	4.329	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1	408642453	DWPQFDKJDBBQIJ-WLGONLEPSA-N	579.565	4.170	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409031248	JRLPMGCAFGDARN-CWPZDHDOSA-N	661.689	4.225	5	40	KIBB	
COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409189605	RKHOUXBIHLHNTB-HDGMWEBWSA-N	515.434	4.475	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)Nc4ccc5c(c4)OCCO5)cc3c3ccnc2c31	70708144	WTGCLMINRRTJOU-UHFFFAOYSA-N	537.528	4.398	5	40	KIBB	biogenic
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N/C(=O)Cc1ccc(-c2ccccc2)cc1	103629909	ZQRYWVLELGMJPE-VBMGMRCRSA-N	550.615	4.199	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	222644100	WALPNQHBQGWGNA-QFIPXVFZSA-N	596.706	4.439	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224572144	OYOLVWHECKKRAB-HHHXNRCGSA-N	612.705	4.059	5	40	KIBB	
Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)cc1C	408663032	NJCJMEVGRWTOCN-SFHVURJKSA-N	513.506	4.279	5	40	KIBB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1Cl	408683533	LNPFBQMOXBPYNY-IAGOWNOFSA-N	502.310	4.093	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1	408730526	HKNJSNBCNLVCNT-UPWSPCOFSA-N	630.635	4.311	5	40	KIBB	
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1=O	409197572	IXJMTEUAZPOTCB-PFHZTYADSA-N	534.568	4.049	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O	409243414	YLWNMYFEYPFNIK-FYJGNVAPSA-N	628.379	4.318	5	40	KIBB	
CCOc1cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc(OCC)c1OCC	4089873	UQILZDDJDIFFFW-UHFFFAOYSA-N	537.038	4.281	5	40	KIBB	
COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc(SC)cc4)CC3)ccc2[N+](=O)[O-])cc1OC	98042827	IJEPTBCDRRQUMC-UHFFFAOYSA-N	572.709	4.499	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O)N1CCOCC1	100369116	WCYLGRWUTOKJRF-UNOMPAQXSA-N	519.988	4.295	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccc2ccccc2c1	101176982	CIMBSGPJJGIAKJ-MXNGAVTRSA-N	518.529	4.362	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	106701623	PGKNYHSCEPUENU-QRVIBDJDSA-N	562.560	4.296	5	40	KIBB	
O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112231691	NQCUACUDMMEBOW-UHFFFAOYSA-N	538.973	4.415	5	40	KIBB	
Cc1ccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-]	408653521	JIPAGVHBZDNDAT-XWYWGPMTSA-N	536.371	4.435	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408732882	AESJKTJXOODGRQ-IZBTWGKQSA-N	565.991	4.326	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408913738	UCDVREBZPDKLPS-OCEWKHMESA-N	589.626	4.374	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	409098601	IWHODBHXUFBMTH-QBEFQMMVSA-N	728.603	4.441	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409099012	RNVGGHGKRRFKPJ-GOWBIRFASA-N	654.126	4.324	5	40	KIBB	
CCOc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	409104662	GRWYERWUALRKIN-UHFFFAOYSA-N	662.146	4.351	5	40	KIBB	
CC(C)OC(=O)c1cccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1	409164005	BDOKMIXIBMYRRW-NRFANRHFSA-N	540.602	4.136	5	40	KIBB	
COC(=O)c1ccc(Cn2cc(/C=C3\NC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)o1	409389860	COEIZJNYTAPYNE-MTJSOVHGSA-N	500.467	4.070	5	40	KIBB	
O=C(OC[C@@H](O)[C@H](O)[C@@H](O)C(SCc1ccccc1)SCc1ccccc1)c1ccc([N+](=O)[O-])cc1	4990462	DHRPASIRUCDCDZ-TZRRMPRUSA-N	529.636	4.027	5	40	KIBB	
Cc1ccc(CCNC(=O)c2c3nc4c(C(=O)NCCc5ccc(C)cc5)cccc4oc-3cc(=O)c2N)cc1	5496230	MYOLQPIDTSCOCN-UHFFFAOYSA-N	534.616	4.437	5	40	KIBB	
O=C(NC(=S)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112240605	KYQKMIGZZBSCQX-UHFFFAOYSA-N	553.604	4.445	5	40	KIBB	
O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1	197872214	VIQDJYFOENVZJW-AQIZGWBQSA-N	510.531	4.135	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223102879	IFQDRJYYQPOQEO-QHCPKHFHSA-N	566.680	4.432	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224275979	NQFBPDCODKHHOY-RUZDIDTESA-N	573.071	4.387	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225427620	ZRZRBUZSVIFPNM-GOSISDBHSA-N	607.060	4.063	5	40	KIBB	
Cc1cc(OC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408640525	JEAZPZNVIREQEN-MJGOQNOKSA-N	513.506	4.219	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408643944	GPYSASIFBVRKAQ-DQEYMECFSA-N	600.540	4.138	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409099447	SNTCJPBLNUXIFN-LCQSEVKBSA-N	620.659	4.428	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1	2279877	YCWYZIHKEKUMPS-VZIOXZNFSA-N	535.965	4.230	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2cc(Nc3ncccc3[N+](=O)[O-])ccc2OC)cc1Br	12549905	QGOMSVJHHIECBJ-UHFFFAOYSA-N	509.338	4.314	5	40	KIBB	
Cc1csc(Sc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[N+](=O)[O-])n1	12568088	VPAXXXJTGJCDOP-UHFFFAOYSA-N	517.614	4.110	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1	101670924	UUJWSXITQVVYAS-DPZBCOQUSA-N	563.563	4.461	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(O)c(OC)c3)C2=O)cc1	102759875	IKQUMOKDPCFEJQ-CCDWMCETSA-N	519.510	4.149	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222779948	XCSLDFDLYNSITC-FQEVSTJZSA-N	589.498	4.008	5	40	KIBB	
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	408710461	JWGCXXCIMLSDRA-UHFFFAOYSA-N	526.512	4.075	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1	409095636	IDUGLBYIMZIRPA-RNECYNAXSA-N	661.718	4.171	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409181043	ZGXIEPDWJZDJSQ-KMBIYUNPSA-N	587.610	4.062	5	40	KIBB	
CN(CCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(COc2ccc(Cl)cc2)n1	585265300	IAGGWGSIYUTJLF-UHFFFAOYSA-N	582.038	4.415	5	40	KIBB	
COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC	8997047	FEIAJJXXEUGLOT-UHFFFAOYSA-N	511.516	4.108	5	40	KIBB	
O=C(Nc1ccc2c(c1)OCCOCCOCCOCCO2)c1cccc2c(=O)c3ccccc3oc12	16955701	SHGITZWOTNFBSU-UHFFFAOYSA-N	505.523	4.020	5	40	KIBB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	101713422	XPWAHUYCRJGZSE-OEAKJJBVSA-N	530.537	4.412	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1	408642451	DWPQFDKJDBBQIJ-GOUQPXDXSA-N	579.565	4.170	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1	408665535	TZMYGFFBZLHLPQ-XWYWGPMTSA-N	552.370	4.135	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)S(C)(=O)=O	408712319	MFHKZVNRYXZZQJ-UHFFFAOYSA-N	587.463	4.416	5	40	KIBB	
CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1	12568215	IWOLWTBDGNXIMD-HSZRJFAPSA-N	501.568	4.251	5	40	KIBB	
CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3[N+](=O)[O-])co2)s1	15391467	VLMIOWIZKPLZFJ-UHFFFAOYSA-N	504.546	4.286	5	40	KIBB	
CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223218701	YPCQHLLKDJWYGG-QHCPKHFHSA-N	621.087	4.453	5	40	KIBB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260737280	LXULNJYMMBTZEW-HSZRJFAPSA-N	596.706	4.092	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409138734	HFGHWBHIXFUVAA-OAQYLSRUSA-N	541.590	4.281	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccc(Br)c(Cl)c1	409340722	APUKWGFQYCOSCB-XRVIQIRUSA-N	540.735	4.414	5	40	KIBB	
Cc1c(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	3300265	SYEYFQKBWXQTOY-UHFFFAOYSA-N	548.939	4.073	5	40	KIBB	
CCC[C@H](CNC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	3308686	UWWVDJYUGKYFSG-CQSZACIVSA-N	517.387	4.162	5	40	KIBB	
COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8902412	KAYGIBOCKOJOLB-UHFFFAOYSA-N	515.158	4.217	5	40	KIBB	
CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1	13141699	ZYABSTUNRAAZNP-DEOSSOPVSA-N	523.973	4.452	5	40	KIBB	
COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1	101159118	XXNYYPINKCEHAO-FSSWDIPSSA-N	524.327	4.417	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1ccc(OC)cc1	101443313	YPLUTGVBWMVEKY-LBLGWMPZSA-N	610.692	4.453	5	40	KIBB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1	260971073	JDVGOWXOTAHDIH-MUUNZHRXSA-N	596.681	4.199	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408683990	MTFYHTSTWUXGMY-UAOJZALGSA-N	500.349	4.336	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409105122	JFZOPMRNJCJSHS-HRIDGTDGSA-N	632.695	4.298	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O	409235156	BEVTZEIWQZNEQS-OEAKJJBVSA-N	525.521	4.138	5	40	KIBB	
COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC	104655550	DAJGTTWWCLWZMA-UPWSPCOFSA-N	555.612	4.253	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c2=O)=N1	104677144	LFOWWIPOUZGWDN-GJFKPFFXSA-N	565.648	4.324	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	111461077	LFSKQKQTGJDUIT-FUFNRSNVSA-N	619.652	4.382	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224842699	ZWVRIIGGDHVSSH-AREMUKBSSA-N	519.598	4.455	5	40	KIBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1c(C)cc(Br)cc1C	409139054	LUWWNOURTFMKJG-UHFFFAOYSA-N	547.435	4.246	5	40	KIBB	
COc1ccc(NC(=O)CSc2nc3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3s2)c([N+](=O)[O-])c1	409337463	UFPMOJJLKKJRQN-VYNZJCPOSA-N	536.591	4.255	5	40	KIBB	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1cccc(I)c1	409367521	DCGXBFULDGGRDW-CAZKKTPXSA-N	522.298	4.076	5	40	KIBB	
O=C(CCCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	4179155	VMNLKEXZFAYIET-UHFFFAOYSA-N	577.502	4.078	5	40	KIBB	
COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl	105306479	DZUOLZFCWWYKME-UHFFFAOYSA-N	582.042	4.263	5	40	KIBB	
O=C(OC[C@@H]1O[C@H](n2cnc3c(S)ncnc32)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	263602648	MOJHLYYJCLGEGP-SJBQFGBUSA-N	731.612	4.045	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12	408642861	FIXOIAKILORTLL-QKAVXHIFSA-N	516.337	4.339	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@H]1c1ccccc1OC(C)C	408824446	QGBJCQQNOGSYLF-RQLGBQGVSA-N	542.013	4.147	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1	9318289	PWIOCAWDPSREDL-QYOOZWMWSA-N	509.518	4.310	5	40	KIBB	
COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OC)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-]	101963945	WDJSKFQQZBAFTQ-QTTRZTASSA-N	555.612	4.253	5	40	KIBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	103546400	NHIBTDIOQHRSIK-VPBXCIAMSA-N	528.952	4.398	5	40	KIBB	
Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nn12	105315519	OQRMPDHLAPVZCJ-UHFFFAOYSA-N	522.616	4.187	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225296765	LLMRITOZDWEPIG-FQEVSTJZSA-N	589.498	4.010	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408664144	YVHZDDZFTVYJPY-BMHXQBNDSA-N	516.337	4.173	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	409162059	CIAHUYAORTWXHJ-HMAPJEAMSA-N	583.600	4.355	5	40	KIBB	
O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	8832717	GMXVADLAMRCZRW-UHFFFAOYSA-N	515.935	4.253	5	40	KIBB	
CSc1ccc(C(=O)c2ccccc2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1[N+](=O)[O-]	32990858	UFGNRRAQJJJGPT-UHFFFAOYSA-N	506.540	4.418	5	40	KIBB	
O=C1C[C@H](Sc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(N2C(=O)C[C@@H](Sc3ccc([N+](=O)[O-])cc3)C2=O)c1	100079702	LKKATPRHLATMJZ-SZPZYZBQSA-N	578.584	4.351	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1	100178050	KASOZKVYYWTXON-XSZPGNIMSA-N	529.574	4.275	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](CCSC)NC(=O)c1ccc(OC)cc1	105711741	XSOKBJZUZUFANA-HXUWFJFHSA-N	558.686	4.478	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	150439466	NVAKTFUGKXWZQA-ZJTZAHLKSA-N	646.634	4.424	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]	222646789	YRLMHERKNFYRNU-QHCPKHFHSA-N	510.388	4.286	5	40	KIBB	
O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)Nc1cccc([N+](=O)[O-])c1	408564479	YQUWFZMAIATJAH-UHFFFAOYSA-N	501.948	4.407	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409108410	XOYPPEFYDHBUOK-RTOMEVGKSA-N	698.577	4.433	5	40	KIBB	
CCOc1ccc(Br)cc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	150469538	RLBDMAGACWNALF-HSZRJFAPSA-N	648.488	4.062	5	40	KIBB	
CCn1c(CNC(=O)c2ccccc2C)nnc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	167677787	GQHWNJUPIWDVPU-UHFFFAOYSA-N	537.627	4.299	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O	248140437	PMDRROAUXZSIKJ-OLKYXYMISA-N	530.924	4.018	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1ccccc1OC	408725341	HIFHBBDIUKNKAN-RGFRMHDHSA-N	585.638	4.294	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(O)n4)c(=O)n32)cc1	409109090	XPWRTINNJKXHMK-QTQKINJDSA-N	633.708	4.059	5	40	KIBB	
CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1	409133507	UIBVMGVOTOUPBD-QFIPXVFZSA-N	554.629	4.146	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1	409400277	NNYMISZJSWAYJH-SXGWCWSVSA-N	543.286	4.017	5	40	KIBB	
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	6177929	DXKOTIPEFRLWDT-MHZLTWQESA-N	542.644	4.456	5	40	KIBB	
Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(-c2nc3ccccc3o2)c1O	112230979	WFPRCZFCUFHWHV-UHFFFAOYSA-N	533.566	4.380	5	40	KIBB	
COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1OC	197745765	UTLDURCAXVRGTL-MFCBUNOESA-N	525.586	4.244	5	40	KIBB	
COC(=O)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br	214981758	UKIBOZQLFGUKMV-RQZCQDPDSA-N	507.318	4.146	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	222635921	ORTZBDJHJVVNHR-HSZRJFAPSA-N	556.413	4.131	5	40	KIBB	
COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	408647408	VKILNRCHBJCJPD-UHFFFAOYSA-N	528.304	4.447	5	40	KIBB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	101713441	GIESBLBBCSDFPG-OEAKJJBVSA-N	530.537	4.412	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222817263	CWVMBPLCMFJGPT-XMMPIXPASA-N	623.515	4.062	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223360618	MDEHOIPPGSZENX-QGZVFWFLSA-N	573.499	4.310	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccs1	408772533	MQKVMLZEKARBSR-ZSJKCPIUSA-N	591.667	4.356	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409100032	UKTTXDHWLHKGJV-ASSGYOTOSA-N	576.078	4.456	5	40	KIBB	
O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O)NCc1cccs1	2967744	DMCWCVDVHACOOD-HXUWFJFHSA-N	505.581	4.255	5	40	KIBB	
CCN(CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	8834903	NEUDEXMCOMTRDG-FQEVSTJZSA-N	500.349	4.351	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	17837254	RJBSDGADCGPIIN-SDHSZQHLSA-N	503.511	4.280	5	40	KIBB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)cc1C	8722421	VTEVTZJXOJJRHA-LZYBPNLTSA-N	506.334	4.355	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	103628704	VCWTUKKSWSTOLF-YRFMIVNWSA-N	573.433	4.064	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Cc2ccncc2)cc1	223528933	OMKIRWWOTQELFB-UHFFFAOYSA-N	502.552	4.415	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21	229640469	ICJHQWJPYHPIFN-KEZOAJOQSA-N	514.925	4.277	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	260842165	BIGIWUBJTVLXBX-AREMUKBSSA-N	661.575	4.297	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1	408644370	RASQOHCBWQYNDW-IEBWSBKVSA-N	516.337	4.483	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OCC	408738729	NGGFHWHSGHPVHJ-ZGOFBEGVSA-N	589.626	4.374	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3cc(OCC(=O)NC[C@H]4CCCN5CCCC[C@@H]45)ccc3c3ccnc2c31	1081813174	MZIRRSIMSFUXMY-DVECYGJZSA-N	554.647	4.369	5	40	KIBB	biogenic
COc1ccc(CNC(=O)C[C@@H]2N=C3c4ccccc4N=C(SCc4cccc([N+](=O)[O-])c4)N3C2=O)cc1	2968388	SVAOFOFZEZVUPX-QHCPKHFHSA-N	529.578	4.202	5	40	KIBB	
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21	35852012	NGFOLCMPKJGNRL-UOSAEKHLSA-N	522.561	4.226	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N32)cc1OC	103890708	RIMILGZKTRPGBM-XVZMSMGLSA-N	539.544	4.193	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225295076	OMJORCKGTVWSNH-OAQYLSRUSA-N	559.472	4.001	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408730134	FRNZZEOWFWHOTJ-JSXXSUDDSA-N	634.623	4.294	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408981855	CJZJKYSDMMAKPQ-VPHSIRQSSA-N	643.674	4.333	5	40	KIBB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409069615	LYYQNLNVPLDEHC-SGEFVQMOSA-N	506.920	4.434	5	40	KIBB	
CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C	409361129	QGYBCLLWQXTMBM-UHFFFAOYSA-N	523.402	4.482	5	40	KIBB	
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1c[nH]c2ccccc12	1875407	OWRDTPDMHMQVOR-WNJJXGMVSA-N	519.561	4.485	5	40	KIBB	biogenic
COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc2c1	3240003	XATDRTUFRJNADW-UHFFFAOYSA-N	514.541	4.276	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223660472	SHLGXSPQMZISCC-VWLOTQADSA-N	607.516	4.444	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1	408731189	LDAXUSYTEAXBOB-YNMQQHPQSA-N	585.638	4.403	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)C1=O	409255343	HKHWMJMGJFAWBR-CFRMEGHHSA-N	613.626	4.363	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1ccc(Cl)cc1Cl)S(C)(=O)=O	10331504	SIWNRDZDDBSREF-UHFFFAOYSA-N	506.433	4.026	5	40	KIBB	
CC(C)C[C@@H]1N[C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12	101509365	IUTMDQGNVXQXJW-OBWDDDHRSA-N	570.005	4.328	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	103790392	WDRTWGHCDXKNRD-IYMWYRQMSA-N	586.464	4.298	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c2=O)=N1	104677307	FZETUVYHNXEJBT-LWUPDDLQSA-N	535.622	4.316	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1	105711747	XSOKBJZUZUFANA-FQEVSTJZSA-N	558.686	4.478	5	40	KIBB	
COc1ccc(N(CC(=O)NCc2ccc(CN3CCCCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224522039	CGZRQCBEGNZLMZ-UHFFFAOYSA-N	566.680	4.409	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408650115	ZMMBZMYEFYFFMQ-QWQRAZBHSA-N	591.576	4.107	5	40	KIBB	
C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408669272	XDEQABHWOJNGIQ-IHAPXQGNSA-N	579.392	4.302	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	408766287	BMBUYGMABZTBTB-JGTYQCAFSA-N	592.611	4.469	5	40	KIBB	
CN1C(=O)/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)N(C)C1=S	409035591	JKWKNEJXIQCGAB-SXGWCWSVSA-N	635.221	4.413	5	40	KIBB	
O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cnc(N2CCc3ccccc3C2)nc1COc1ccc(Cl)cc1	585265807	VBNXVBKLQHEFBJ-UHFFFAOYSA-N	580.022	4.299	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1O	1416681	AJMSGPFBXDCGHD-OVCLIPMQSA-N	512.281	4.150	5	40	KIBB	
COc1cc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c(OC)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1	2738362	QHSZVCQPYCZSEN-UHFFFAOYSA-N	502.386	4.303	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCc1cccc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	10448022	KLCXGCGXSGSNDH-UHFFFAOYSA-N	517.991	4.385	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224148753	SHXMOABJEFZYET-SANMLTNESA-N	519.598	4.457	5	40	KIBB	
COc1ccc(N(CC(=O)NCc2ccccc2CN2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224767450	YRJCKGSCWBQOOF-UHFFFAOYSA-N	552.653	4.019	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224819071	ZXJAALXPXODMMT-HXUWFJFHSA-N	573.071	4.387	5	40	KIBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409096114	FKRSBVDYHCWGOL-YBFXNURJSA-N	547.480	4.144	5	40	KIBB	
COc1c(O)cc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1[N+](=O)[O-]	13635192	ATNZLSPMJKRZAW-UHFFFAOYSA-N	503.419	4.113	5	40	KIBB	
COc1cccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	44802999	WPKSPRDSQHPTNC-UHFFFAOYSA-N	519.963	4.408	5	40	KIBB	
COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	97948300	NANAFGLCHWKUCN-UHFFFAOYSA-N	562.531	4.178	5	40	KIBB	
COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12	101165171	JFFLXPGBKYMXLG-NDBXHCKUSA-N	544.951	4.411	5	40	KIBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br	101180511	ZVLJIPOFYVHUDN-ZLNRFVROSA-N	538.354	4.413	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cc(Cl)ccc1Cl	103629232	ROVSAQGZWNECLL-BQMVIJPOSA-N	541.391	4.053	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222643800	WKRPOOGKNFRUJU-KRWDZBQOSA-N	579.462	4.260	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223306833	RMIXEZJSNCYIFH-INIZCTEOSA-N	559.472	4.001	5	40	KIBB	
CCCc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)cc2)cc1	224834393	SBUXNVMIFCONQK-UHFFFAOYSA-N	541.626	4.331	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224864311	XTBLYCCLAYKZMO-NRFANRHFSA-N	603.525	4.256	5	40	KIBB	
O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12	230055503	UHTBJYZILVMUJT-ODAXIHTASA-N	500.898	4.010	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cc(I)c(O)c(I)c2)C1=O)c1ccc([N+](=O)[O-])cc1	409254780	FWRIMICINXJKOC-VIZOYTHASA-N	636.161	4.429	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	409262989	JUUWFTZAODMFQE-UHFFFAOYSA-N	632.717	4.011	5	40	KIBB	
COc1ccc2c(ccn2CCCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@H](Cn5c4cccc5=O)[C@@H]23)c1	1547138161	SYFWDURWDMOJTJ-ILXAMWSWSA-N	567.646	4.091	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1Cl	1790984	DZUSYHKUVKCYCN-LWUPDDLQSA-N	580.018	4.246	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccc(C)c(C)c1	102919287	XPELSXMDWIRRSY-QVAGMWBUSA-N	530.625	4.307	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)COc1ccc(Cl)cc1Cl	103628047	UQVNNFVTQXBDIJ-FAJYDZGRSA-N	529.380	4.220	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223452721	BNOBEESDCGDQCB-QDPGVEIFSA-N	580.707	4.224	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225428736	RRLBAYGSRKBITO-HHHXNRCGSA-N	566.680	4.166	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732498	VUPPDMLTHQBATF-SZYVSPPHSA-N	615.664	4.412	5	40	KIBB	
CC1(C)C[C@@H]2C[C@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O	9128933	JWRZZLCHFOAEFJ-SQSVJPPKSA-N	502.571	4.190	5	40	KIBB	
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	33793835	MGGGRIXVDFSBOA-UHFFFAOYSA-N	503.795	4.401	5	40	KIBB	
O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccccc1	102548601	NVNKPUXJRAPYLI-PVHODMMVSA-N	571.567	4.414	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1	224052142	OVCSXDHOZDFXMM-QFIPXVFZSA-N	594.690	4.275	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccc2c(c1)OCO2	408731694	PDXRAERZROLGPV-BUDNTJSZSA-N	629.647	4.132	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)o1	409155684	MGIVMKQNCUPNRU-UFFVCSGVSA-N	523.479	4.267	5	40	KIBB	
O=C1[C@H]2[C@H](C(=O)N1c1cccc(I)c1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21	409367523	DCGXBFULDGGRDW-YQORSWRPSA-N	522.298	4.076	5	40	KIBB	
O=C(Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	33353588	MWMFTSXZXXNQME-UHFFFAOYSA-N	575.191	4.255	5	40	KIBB	
COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-]	100954069	BIFKSNWBQFHIFW-KEQCBNTKSA-N	540.557	4.144	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	102517824	BUZKHMBVYWCUFL-YDNHHRFVSA-N	566.522	4.165	5	40	KIBB	
COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	103003489	NNFLXFGCHDPBGW-ODLFYWEKSA-N	553.505	4.241	5	40	KIBB	
O=[N+]([O-])c1ccc(CSc2nc3ccc(Nc4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3s2)cc1	2185542	CVFTWHPWXVWIPM-UHFFFAOYSA-N	566.669	4.099	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NC[C@H](O)c4ccccc4)cc3c3ccnc2c31	70708012	FENYOZUQTQYZHL-XDHUDOTRSA-N	537.572	4.226	5	40	KIBB	biogenic
CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223702818	MWQNNVSOQMAZFD-FQEVSTJZSA-N	603.097	4.314	5	40	KIBB	
Cc1ccc(-c2nnc(NC(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)s2)cc1	223988896	CGFYAVMJPVHLLG-UHFFFAOYSA-N	509.569	4.256	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1	408623737	SQWFEQFKUKNDCK-UHFFFAOYSA-N	536.610	4.445	5	40	KIBB	
O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccc([N+](=O)[O-])cc1	408656798	MJGHCGAJZJCKBT-DDBVPJQNSA-N	537.355	4.231	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)c(=O)n2[C@H]1c1ccc(C)cc1	409198012	UKTFXLHOVGZLHL-KEBMYNNESA-N	532.405	4.322	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccccc1	409272844	HMGGHFKOULMXCT-UCQKPKSFSA-N	554.558	4.290	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3Br)OCO4)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	409337182	YKGOHKSYKNJSJV-GBLIIGSVSA-N	638.452	4.458	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	6227696	LDVVWYMINSCLIF-GVMLUORFSA-N	559.600	4.284	5	40	KIBB	
CCN(CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	9601125	LYMPDDGLSQRYQH-UHFFFAOYSA-N	508.556	4.217	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccc(Br)cc1	103629335	GRHGSLVSJWGMLS-GDWJVWIDSA-N	557.404	4.378	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(S(=O)(=O)c4cccc([N+](=O)[O-])c4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(F)cc1	163567833	RYIAYCMQTFTZAP-UPWSPCOFSA-N	646.678	4.037	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225629083	KMUDQSBSQRCPAZ-XMSQKQJNSA-N	553.081	4.045	5	40	KIBB	
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccccc1C(=O)c1ccccc1	408602551	CMUGDKCYPXTRRG-WYMLVPIESA-N	542.504	4.224	5	40	KIBB	
Cn1c(=O)c2c(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O	11758232	NSTRFLRPXOUDFB-UHFFFAOYSA-N	580.932	4.005	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1F	33630257	RGWGRBXKXJGJQE-LBPRGKRZSA-N	506.947	4.221	5	40	KIBB	
O=c1/c(=C/c2cc(I)c(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1	150497946	XSVPEUAPMMILOY-DKOMQPSQSA-N	652.426	4.445	5	40	KIBB	
O=C(Nc1nnc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1)c1ccc(Cl)cc1Cl	225424688	QEIBLEHUZARFCJ-UHFFFAOYSA-N	508.752	4.460	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225454344	UKTYSQOQDODWQR-IBGZPJMESA-N	633.521	4.033	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5cccc([N+](=O)[O-])c5)cc4)c(=O)n32)cc1OCC	408933193	IHFDNMQZIDJKKZ-UBMKPUGCSA-N	615.664	4.303	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(OC)ccc4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409177182	CXTBJQBXEWTPAX-KMBIYUNPSA-N	543.601	4.177	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@@H]2CCCc3ccccc32)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	20043758	ATHHNJQAORCSFE-XMMPIXPASA-N	509.584	4.301	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Br	100381952	WUTNIYWQNQBJFB-UHFFFAOYSA-N	527.828	4.246	5	40	KIBB	
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc1)C1=C(O)c3ccccc3C1=N2	102673478	PJIXUTABMJWKIQ-BFFNPARHSA-N	562.538	4.160	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	163634507	RRZWPWPLVUZTFF-YRSDHNRQSA-N	646.634	4.424	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1	248383111	ZGETZZNNHXRIDU-ASDGIDEWSA-N	507.502	4.070	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccccc1Cl	409361935	FPSYRUOLIXAJIM-AWEZNQCLSA-N	502.984	4.390	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	1874843	WFTDSAQLBKEKTL-OUTSHDOLSA-N	540.576	4.021	5	40	KIBB	biogenic
Nc1nc(=S)c2ncn([C@@H]3O[C@H](COC(=O)c4ccc([N+](=O)[O-])cc4)[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3OC(=O)c3ccc([N+](=O)[O-])cc3)c2[nH]1	195813031	ROOCKCSKNKTVSV-GJGGBTFWSA-N	746.627	4.001	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224180407	RUGGYIPNCNXNOQ-AREMUKBSSA-N	617.124	4.189	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	13673057	AOYCETDVICPTNB-UHFFFAOYSA-N	515.975	4.350	5	40	KIBB	
Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1	100772805	MYRSJWLJZLGRQU-UHFFFAOYSA-N	510.341	4.366	5	40	KIBB	
CCOCCCn1/c(=N/C(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	102920248	MYDQROGEZZSTBB-WUZYOQQESA-N	620.703	4.498	5	40	KIBB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222871418	MHXLSQOGODODGZ-HXUWFJFHSA-N	570.643	4.261	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	408645806	IJYAYBYEIINDMW-MPKWNAGQSA-N	516.337	4.339	5	40	KIBB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)c2=O)=N1	408928188	XAPSDJJNPCUHQZ-JYWRCUDFSA-N	592.855	4.217	5	40	KIBB	
COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n21	408947700	QUBUIAULKSGMEB-HUHAETNCSA-N	667.332	4.334	5	40	KIBB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C	888089104	HSLUCMCJGBLOOC-NKMASRCJSA-N	643.436	4.400	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccc([N+](=O)[O-])cc5OC)o4)c(=O)n32)cc1	59247840	LSONYBPPFBHVPV-SUAMDDGLSA-N	589.626	4.372	5	40	KIBB	
CC(C)CCNC(=O)[C@@H]1Cc2cccc(c2)Oc2cc(ccc2[N+](=O)[O-])C(=O)N(CCc2ccccc2F)CC(=O)N1	98007970	YOUJJKOOTWUCEO-SANMLTNESA-N	576.625	4.414	5	40	KIBB	
O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112232813	KDMUITUYMGNZQI-UHFFFAOYSA-N	530.562	4.332	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	150471419	NVAKTFUGKXWZQA-JBDHCHCMSA-N	646.634	4.424	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	408830036	MYOAEGLJUHTDOY-LMSRTUJASA-N	559.600	4.284	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409145924	PCJGVQJBNNHXDJ-KHVWPYCOSA-N	637.306	4.246	5	40	KIBB	
Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1Cl	35199478	RLYSFHANNMZLRA-UHFFFAOYSA-N	502.040	4.384	5	40	KIBB	
COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)ccc2[N+](=O)[O-])cc1OC	100097712	ZEZLSWYFJMDFKD-UHFFFAOYSA-N	540.642	4.086	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)sc2c1CCCC2	100766499	NRMQXNDENAVQLR-VJBWXMMDSA-N	533.562	4.373	5	40	KIBB	
O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	104083981	WRPOCBKPVRWMEM-UHFFFAOYSA-N	555.591	4.392	5	40	KIBB	
CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)cc1	167678024	YORJJSNUMGERTE-INIZCTEOSA-N	581.680	4.224	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225280407	BMRAUWQLARVAMB-NDEPHWFRSA-N	580.707	4.226	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408642874	FJGMVHMWSNPTND-MFRYECHYSA-N	516.337	4.173	5	40	KIBB	
COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12	9030716	HYWWBYRIIPLCMY-UHFFFAOYSA-N	509.496	4.175	5	40	KIBB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cc(C)cc(C)c2)cc1OC	19855939	VQECCXKUKFNRQO-UHFFFAOYSA-N	513.572	4.371	5	40	KIBB	
O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	59331650	HGBRFYIWRKFFCM-UHFFFAOYSA-N	523.537	4.177	5	40	KIBB	
CCCCn1/c(=N\C(=O)c2cccc(Br)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	101176527	GDGDDDCIYWTWSX-SLMZUGIISA-N	523.387	4.130	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)cc1	408662285	XPXUWTJIFSRQMF-WMPKNSHKSA-N	605.625	4.086	5	40	KIBB	
C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408669273	XDEQABHWOJNGIQ-PLBSAUALSA-N	579.392	4.302	5	40	KIBB	
COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@@H](c4ccccc4)[C@H]3C2=O)c([N+](=O)[O-])c1	408730457	GNTOJLZNLPISDC-PGTVGAIHSA-N	510.502	4.434	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC	409101772	REMFJYJNAMLJSG-CSJROMOCSA-N	572.643	4.280	5	40	KIBB	
O=C(CN1C(=O)N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O)Nc1ccccc1F	409199782	DKKNVFDKEQMNGV-YDZHTSKRSA-N	513.485	4.268	5	40	KIBB	
O=C(CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O)Nc1ccccc1F	409216295	JXFVBIIGFDYRCB-ZDLGFXPLSA-N	529.278	4.288	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1cccs1	409273943	ANKQTXAMHDSLRZ-WLGHQHAYSA-N	552.678	4.004	5	40	KIBB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C	888089105	HSLUCMCJGBLOOC-ZIQYAYLKSA-N	643.436	4.400	5	40	KIBB	
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)C(=O)NC1CCCCC1	12546644	CMKGPQFYXNAKSB-AWEZNQCLSA-N	509.968	4.043	5	40	KIBB	
O=C(CCc1nnc2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n12)Nc1cc(Cl)c(Cl)cc1Cl	104286345	KOFGADPCOVJNNA-FRKPEAEDSA-N	524.773	4.138	5	40	KIBB	
COC(=O)c1cn(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc12	222584858	LAEMIKSRUKMKNS-UHFFFAOYSA-N	537.550	4.189	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1	408830182	YHBNSCJVHMGFCU-WLJFKGHSSA-N	586.464	4.176	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409140227	GPQDAFVYIZCFSU-YOKWNPFVSA-N	616.490	4.185	5	40	KIBB	
Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1	112240146	JWWBNSDNGRSEJL-UHFFFAOYSA-N	552.016	4.254	5	40	KIBB	
Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)n1C	139818165	STARTUPIDYHENV-UHFFFAOYSA-N	537.627	4.124	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223431809	LBQUKTORACFQJZ-QFIPXVFZSA-N	582.679	4.132	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224953402	DMGQJIPWGOFKNG-RUZDIDTESA-N	523.561	4.286	5	40	KIBB	
COc1ccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408629901	JZOVURAPDAAZHZ-UHFFFAOYSA-N	552.653	4.073	5	40	KIBB	
CCc1nnc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)s1	408749921	JYGHTGHCJZELGR-UHFFFAOYSA-N	526.581	4.150	5	40	KIBB	
CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1	1315565	JNQMUKCDYNLRIY-BKKFENPESA-N	537.528	4.170	5	40	KIBB	
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	1315735	UFSNNNOBEIVFME-HFMPRLQTSA-N	539.928	4.325	5	40	KIBB	
COc1cc(COC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c([N+](=O)[O-])cc1OC	65742683	GEIDGZJCBUYWDB-QFIPXVFZSA-N	522.510	4.121	5	40	KIBB	in-vitro
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1nnc(SCc2ccccc2)s1)S(C)(=O)=O	225310655	YXYNUILXEAJQPT-UHFFFAOYSA-N	521.646	4.232	5	40	KIBB	
CSCC[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)c1nc2ccccc2[nH]1	1547206439	ZVRDHXZSAUYXSU-PXIHHIRHSA-N	584.702	4.408	5	40	KIBB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1	111470173	KRURYSGQSVJSGJ-PNZYDNNZSA-N	547.564	4.414	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225348037	XDKREIWHSFPFDV-NRFANRHFSA-N	559.472	4.001	5	40	KIBB	
CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O	409221167	LVYPSCQXRQGLPT-WOJGMQOQSA-N	551.337	4.480	5	40	KIBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12	101133179	WBRWTURFOHAIIR-NDBXHCKUSA-N	528.952	4.398	5	40	KIBB	
COc1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]32)cc1	102675823	VZQJNOFEEANDLO-BKHJTQGXSA-N	603.595	4.428	5	40	KIBB	
CCOc1ccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)c([N+](=O)[O-])c1	103064841	RPFLGDPIMURGLG-UHFFFAOYSA-N	527.555	4.207	5	40	KIBB	
CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223877167	JIJOKQUNLODTSK-QFIPXVFZSA-N	573.499	4.391	5	40	KIBB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@@H]43)[C@H]12	245312054	SASMKRFOAOLSTI-FXZFBTTFSA-N	535.603	4.031	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408642341	MWSBBGMQVPUZNG-CLJLJLNGSA-N	612.551	4.304	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1	409100971	WEWZUTXEKSANCC-OGRZUZBBSA-N	617.709	4.437	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2=O)o1	409407763	HKPQZQIZLVHNRA-NSMVQRMQSA-N	551.895	4.340	5	40	KIBB	
Cc1nn(CCc2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2C)c(C)c1[N+](=O)[O-]	97945265	VYCIKCRDWOJCRE-UHFFFAOYSA-N	518.814	4.470	5	40	KIBB	
C[C@H](O)CN(CCNc1ccc([N+](=O)[O-])cc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	100079848	GGKKMBJZBFMBFJ-JTQLQIEISA-N	507.809	4.383	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cccc(OC)c1	102921368	ZMQXJYCQSHXYHY-QCWLDUFUSA-N	500.555	4.081	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c2=O)=N1	111466853	BQSNMEGQCUMAOC-UPWSPCOFSA-N	617.636	4.484	5	40	KIBB	
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)c2sc(=O)[nH]c2S[C@H]31	150352304	KVEXQSMVCLEQPB-LEQHCDCCSA-N	628.084	4.135	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223004742	JCGDJWKLJLWUHO-HSZRJFAPSA-N	566.680	4.432	5	40	KIBB	
COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(C)c(C)cc1Br	409318250	XXXZGIGUUHYODJ-XQRVVYSFSA-N	545.346	4.372	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1N1CCN(Cc2ccccc2)CC1	100134437	WVXIGBOSVYWTKB-UHFFFAOYSA-N	600.539	4.190	5	40	KIBB	
Cc1nn(-c2ccccc2)c(OC(=O)c2cccc([N+](=O)[O-])c2C)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	100824132	OUAIYPAELXFULH-UHFFFAOYSA-N	522.495	4.358	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12	100967653	OFSSHTWKXANFPL-YCAMKHIRSA-N	514.925	4.277	5	40	KIBB	
CCc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	102763427	RADCEGHLIMOCJX-MVERNJQCSA-N	533.537	4.234	5	40	KIBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br	102884741	RJTYUCOHLBWUEK-VSKRKVRLSA-N	569.324	4.325	5	40	KIBB	
CCCn1/c(=N\C(=O)COc2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	103360486	LWLRJBPCNSTPCH-FAJYDZGRSA-N	529.380	4.049	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224294329	BWDWEWRZVRWHMD-QFIPXVFZSA-N	614.696	4.436	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408938342	HQCLZAWYPKTMDI-MFUBYVTQSA-N	565.991	4.238	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(Br)c3O)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409145939	PCJGVQJBNNHXDJ-KYSILRCISA-N	637.306	4.246	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409274090	VFBYZEKOCCTRAC-YDZHTSKRSA-N	525.583	4.477	5	40	KIBB	
O=C(CSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1)Nc1ccccc1[N+](=O)[O-]	409337923	ZNVSVYPGNYFTTP-SPDQCEQOSA-N	506.565	4.247	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1C	103629722	XDKOVUVMVYEVDN-MXNGAVTRSA-N	551.559	4.026	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	105317758	XTUIOUXQAUGITC-UHFFFAOYSA-N	564.693	4.346	5	40	KIBB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222871185	TVIOOIXSIUZENF-FQEVSTJZSA-N	570.643	4.261	5	40	KIBB	
CCOc1cc(Br)c([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OCC	408566716	OMERJHBUNPDAJZ-STCFVSJZSA-N	516.392	4.301	5	40	KIBB	
CN(C)c1ccc(P(=Nc2ccccc2[N+](=O)[O-])(N2CCOCC2)N2CCOCC2)c2ccccc12	12559071	MEMVUGNLAHUWFO-UHFFFAOYSA-N	509.547	4.467	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2C)cc1[N+](=O)[O-]	33560018	SSZHZNJEGBBUML-UHFFFAOYSA-N	511.589	4.157	5	40	KIBB	
O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	105303821	VTDKXAPSMLVBNM-UHFFFAOYSA-N	526.443	4.387	5	40	KIBB	
COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105312724	FUJXZCUBNZGIQW-UHFFFAOYSA-N	533.566	4.375	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc(N2CCOCC2)cc1	409146408	TYXTUPRKUONNSC-HZHRSRAPSA-N	534.550	4.366	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc4c(c3)OCO4)C2=O)o1	409397980	APAKBBOOKMSTLP-IUXPMGMMSA-N	600.334	4.138	5	40	KIBB	
COc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1OC	3379193	RORXDXSBHNBZLA-UHFFFAOYSA-N	510.503	4.181	5	40	KIBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(I)cc1	14275233	AVBUJNUPHSKBDV-UHFFFAOYSA-N	506.119	4.089	5	40	KIBB	
O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	14275639	GBVFZUYKZRZLDC-UHFFFAOYSA-N	512.400	4.475	5	40	KIBB	
Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	20079707	CSQWWXNICIKQNI-SANMLTNESA-N	528.617	4.066	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)cc1	104086008	ZJZIUFQIKSUWPZ-UHFFFAOYSA-N	600.097	4.156	5	40	KIBB	
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1c(C)cc(I)cc1C	408603377	GFJXLDOLJXPXML-FNORWQNLSA-N	592.346	4.214	5	40	KIBB	
O=C(CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1	408736726	GJAFNYXIOLPACY-NDEPHWFRSA-N	551.599	4.314	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408837212	ADMKETXBXXZSCH-SUAMDDGLSA-N	589.626	4.292	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409097056	LKVFVOKLNTZLFS-NULZLWRNSA-N	632.695	4.298	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccccc2OC)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	12649985	OZNAYRFOFSJULI-UHFFFAOYSA-N	505.936	4.099	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	106709440	FQSPHSNUVQSQRW-XKZIYDEJSA-N	533.518	4.498	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1	111470161	WRHQTMXOFZTMJY-ZGOFBEGVSA-N	573.602	4.425	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223534995	WSVWOMVYDJBXKO-DEOSSOPVSA-N	610.733	4.483	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	224243026	UDZZYBWTZXVLQK-MHZLTWQESA-N	610.733	4.233	5	40	KIBB	
COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	247881210	JFFLXPGBKYMXLG-VPBXCIAMSA-N	544.951	4.411	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1)S(C)(=O)=O	260924779	NCNDEJQHDKWUSM-GDLZYMKVSA-N	622.744	4.458	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733212	GJEAXDFWJYDCIN-ORVZPOCUSA-N	589.626	4.292	5	40	KIBB	
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O	409039101	BMBKTIKIAAQLNH-VCHYOVAHSA-N	568.345	4.378	5	40	KIBB	
CCc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1	97955067	RADCEGHLIMOCJX-ZEVJAHDQSA-N	533.537	4.234	5	40	KIBB	
O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1	97959352	MBMNHMNTGOJCPM-HVCNVCAESA-N	602.405	4.028	5	40	KIBB	
CC1(C)C[C@H]2C[C@@](C)(C1)[C@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O	102788340	JWRZZLCHFOAEFJ-JEAFXSMJSA-N	502.571	4.190	5	40	KIBB	
O=C(OCc1ccc(F)cc1)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	102928062	CLKCQTAOKAIBLA-SANMLTNESA-N	582.610	4.003	5	40	KIBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN21	103547045	JNIHNHHTMVBUCU-HFLBTKGNSA-N	564.554	4.236	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	163634255	RLPOFKITQZUKNB-YRSDHNRQSA-N	646.634	4.424	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261048541	LNGYVJALSCOVKG-IDISGSTGSA-N	614.696	4.063	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222376578	OWQURISEZGNIEI-FQEVSTJZSA-N	603.097	4.232	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408679451	FENWJTYUHDUINW-UPRAQXHNSA-N	500.895	4.135	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408949172	SCFAZNLAYIQQCN-RWTNITNYSA-N	565.991	4.238	5	40	KIBB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Cl)c2=O)=N1	408974052	WLBYULQIJIYGSF-FCKOQQNDSA-N	530.993	4.436	5	40	KIBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1	409051392	LOFDPSCANSKGSG-UHFFFAOYSA-N	512.610	4.381	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409135950	VICBHQDDPGKNPS-OAQYLSRUSA-N	541.590	4.281	5	40	KIBB	
CCOCCCn1/c(=N\C(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	2437613	JVDZNZMXFCUFBM-GLHBAVOKSA-N	549.027	4.355	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](CCSC)NC(=O)c1ccc(OC)cc1	109610225	BOOYBJSKSRFJJG-NRFANRHFSA-N	558.686	4.478	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224176515	VNGFYCCEBNXFIG-AREMUKBSSA-N	587.098	4.181	5	40	KIBB	
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl	408545173	ZHSBDGDTCNHTOU-UHFFFAOYSA-N	523.402	4.045	5	40	KIBB	
COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O	409142465	KMRKRNUQEAMJGQ-WOJGMQOQSA-N	540.335	4.461	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1	101095273	MAVWGOHZRPHVKK-ZQLCYMSWSA-N	542.636	4.352	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	103790387	WDRTWGHCDXKNRD-VMOHIOPYSA-N	586.464	4.298	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	222595743	GHRJUOVMJAUASO-QHCPKHFHSA-N	510.388	4.286	5	40	KIBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223919332	UYIXMTQZAPWIKE-MRXNPFEDSA-N	571.483	4.144	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260980878	NZKJNBPGXXMIQC-HOTGVXAUSA-N	589.498	4.008	5	40	KIBB	
CCOc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCC	408563892	BJIINNSCKXNVPV-PJXYCGMHSA-N	516.392	4.301	5	40	KIBB	
CCOC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1Cl	22429797	VUIHCPYMLUWKLP-UHFFFAOYSA-N	517.947	4.259	5	40	KIBB	
O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105311248	VYIFENARFFEGMF-UHFFFAOYSA-N	538.973	4.415	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(I)c1	112237710	PRRHWQKVNSKURD-UHFFFAOYSA-N	564.327	4.055	5	40	KIBB	
COc1cc(C)c([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1C(C)C	260917372	DCPYXFUENWXKRB-GOSISDBHSA-N	521.636	4.467	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408650296	ATFYGSWNORZDNJ-OAHLLOKOSA-N	519.897	4.316	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	409335097	NTPYCGQMIPPJRL-ZSJKCPIUSA-N	559.600	4.284	5	40	KIBB	
NCCCC[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)OCc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	150400361	DMMUUUSPVBZVPJ-SBPNQFBHSA-N	799.834	4.021	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224816382	BCDOQPJUTMGKQB-AREMUKBSSA-N	519.598	4.455	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409085316	ZEHGAJNPHVMXLY-GJFKPFFXSA-N	627.517	4.078	5	40	KIBB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O	409245837	ZSIFFAFIIOSRQR-LPYMAVHISA-N	530.537	4.276	5	40	KIBB	
COc1ccc([C@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1OC	618250532	OFCPQOIQFHEHFT-FQFISFDJSA-N	572.662	4.452	5	40	KIBB	biogenic
COc1ccc(C(=O)N2CCN(c3ccc(C(=O)NC4C5CC6CC(C5)CC4C6)cc3[N+](=O)[O-])CC2)cc1OC	101104106	VNKJDTYDJMXQTK-UHFFFAOYSA-N	548.640	4.129	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cc(Cl)ccc1Cl	103629233	ROVSAQGZWNECLL-YZTHAVIRSA-N	541.391	4.053	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)[C@@H](CC)c1ccccc1	103629399	TUMJNYBDRQIAEQ-QOVBXRFCSA-N	520.589	4.495	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSCc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	106185606	DXAVIWUYWZYOFM-UHFFFAOYSA-N	529.640	4.157	5	40	KIBB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1Cl	138655960	UZLUEQVESXQXBO-BKOMJCAWSA-N	516.337	4.173	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408811341	LDOXEAVBYCGJBV-SXGWCWSVSA-N	526.308	4.453	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408821442	HKPOMIGVHZGQJF-CRCYZHLCSA-N	589.626	4.459	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O	409230072	BDLMDRRTGCSCLS-SRZZPIQSSA-N	611.405	4.485	5	40	KIBB	
Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)c1	22844084	HKRRVUIGRMYTKD-UHFFFAOYSA-N	519.583	4.119	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCc4ccc5c(c4)OCO5)cc3c3ccnc2c31	70707940	DQPIEIJWPZJWOK-UHFFFAOYSA-N	537.528	4.033	5	40	KIBB	biogenic
C[C@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)c1ccccc1	97945599	CCGMTWCCAVTJKJ-SFHVURJKSA-N	532.505	4.168	5	40	KIBB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	100355019	OVODKYGRQLNPAI-LJAQVGFWSA-N	564.650	4.140	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	260896293	MRSXDMACMGCHHD-GOTSBHOMSA-N	596.706	4.439	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	260957036	GFMPNNLJVCENRC-MUUNZHRXSA-N	626.707	4.207	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(C)cc1	408997872	OQTILSQRWPUPLZ-OGRZUZBBSA-N	546.649	4.005	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(Cl)cc1	409117260	OACJOPPEHIHUJQ-MRCZTLKWSA-N	605.898	4.133	5	40	KIBB	
O=C(CSc1nnc(CNC(=O)c2ccccc2C(F)(F)F)n1-c1ccc([N+](=O)[O-])cc1)Nc1nccs1	2965845	ZDQAVMFIMXMXCN-UHFFFAOYSA-N	563.543	4.312	5	40	KIBB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1[N+](=O)[O-]	8742487	RODLYGGFLHDFHA-XMMPIXPASA-N	505.531	4.426	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224864352	XTBLYCCLAYKZMO-OAQYLSRUSA-N	603.525	4.256	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224979574	OXPYMFFGRCAQCV-RUZDIDTESA-N	523.561	4.286	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225108412	HILLFPNRGFYXMS-HHHXNRCGSA-N	566.680	4.432	5	40	KIBB	
C[C@]1(O)CC(=O)[C@H](C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OCc1ccccc1	253565325	HPJHCPXKZIHADY-VZTVMPNDSA-N	517.534	4.121	5	40	KIBB	
CCn1c(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2OC)C(=O)O)nnc1-c1cc(OC)cc(OC)c1	408633060	LGKXJUNLXBQZLX-VXLYETTFSA-N	516.532	4.125	5	40	KIBB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408687422	UIORNSXIZNCUFE-GJZGRUSLSA-N	502.310	4.093	5	40	KIBB	
Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4C[C@@H]5C[C@H](C4)Cn4c5ccc([N+](=O)[O-])c4=O)c(C)c3cc12	888089093	HKVQUDVWCQKUOY-MSOLQXFVSA-N	517.538	4.113	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1	103979944	LSPPNXQHQXAJBH-DSYNPFFXSA-N	509.518	4.185	5	40	KIBB	
COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cccc([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1OC	104658533	VWUTUMQIAABTCQ-MFCBUNOESA-N	525.586	4.244	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224323988	KKQXAGOSEWFKFG-RUZDIDTESA-N	523.561	4.288	5	40	KIBB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225558512	MWHMENXOVKRVQC-HXUWFJFHSA-N	573.071	4.385	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	261045257	LCRSRCLNIUBINN-FIPFOOKPSA-N	580.707	4.224	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1	408776989	UHGQHOUGFOCNDT-LMSRTUJASA-N	587.585	4.065	5	40	KIBB	
CCCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1[N+](=O)[O-]	409046975	LTMWJLOKESVAJB-FGGAIWKESA-N	586.464	4.258	5	40	KIBB	
COc1ccccc1NC(=O)c1sc2nc3n(c(=O)c2c1C)N=C(c1ccc([N+](=O)[O-])cc1)CS3	9969254	VFPMCYUUQDOMSE-UHFFFAOYSA-N	507.553	4.294	5	40	KIBB	
Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21	35851583	ADMFIICMWZIGRN-LAWREARLSA-N	500.580	4.425	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	163652748	IQYZIHPWQFHEIM-DQARITGZSA-N	646.634	4.424	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224524009	UBFAIHNOIWMADW-HHHXNRCGSA-N	566.680	4.370	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225329758	NZKJNBPGXXMIQC-JKSUJKDBSA-N	589.498	4.008	5	40	KIBB	
Cc1c(O[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)ccc2c1oc(=O)c1ccccc12	2134718	NAZMVBQYJSVGOX-WNSKOXEYSA-N	500.507	4.021	5	40	KIBB	biogenic
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)scc12	9381689	WWHFDTWTOYWSFR-UHFFFAOYSA-N	508.512	4.101	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2Cl)cc1	14361128	GGKSOHWRWKEYJM-UHFFFAOYSA-N	503.920	4.269	5	40	KIBB	
CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	101346990	LHMBYHDQQLQZIV-DARZMLDPSA-N	522.561	4.172	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225175753	JEVIEPJEYCZFPL-QHCPKHFHSA-N	595.118	4.279	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	261045260	LCRSRCLNIUBINN-LXFBAYGMSA-N	580.707	4.224	5	40	KIBB	
Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c3)CC2=O)cc1Cl	408647157	WMWSIFLTIULTMI-OAHLLOKOSA-N	519.897	4.316	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408653345	POAUKXNORNBYMT-SZPZYZBQSA-N	561.572	4.291	5	40	KIBB	
C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408669270	XDEQABHWOJNGIQ-HLLLIGQESA-N	579.392	4.302	5	40	KIBB	
CC1(C)[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC[C@]1(C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	4109248	GKIYPLFGLXZJAC-FQRUVTKNSA-N	526.498	4.098	5	40	KIBB	
O=C(O)c1cc(NC(=O)c2cccc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)c2)cc(C(=O)O)c1	8425622	WFDKIXSUEHKTJS-UHFFFAOYSA-N	525.429	4.197	5	40	KIBB	
Cn1ncc(Cl)c1C(=O)Oc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	102884202	AYXKOFJTDDUYNG-OYRHQHFDSA-N	618.946	4.160	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223745658	WSDNUIJXCRRYMJ-FQEVSTJZSA-N	603.097	4.314	5	40	KIBB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC	408575798	KNGWZDUAPQWTCB-UHFFFAOYSA-N	509.584	4.456	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409036854	WMHQPTPODPTERU-VKSQQWFDSA-N	687.727	4.236	5	40	KIBB	
CCOc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2CC)cc1	409141531	IIDDNYBKIIVTOQ-QFIPXVFZSA-N	526.619	4.463	5	40	KIBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	1311061	NHIBTDIOQHRSIK-LIONHTAISA-N	528.952	4.398	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	6489006	GENMGTMLMVZTED-FQKMCRJQSA-N	589.626	4.292	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)[C@@H](CC)c1ccccc1	31937069	VNGULFUCAQKEHN-JVPRSNEISA-N	510.550	4.088	5	40	KIBB	
O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1	97959353	MBMNHMNTGOJCPM-VJTSUQJLSA-N	602.405	4.028	5	40	KIBB	
CCOc1cc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc(OCC)c1OCC	100382279	PXXYKSAJRKDWIE-UHFFFAOYSA-N	537.038	4.281	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	260964074	LKMDLBSSQGRYCI-RPWUZVMVSA-N	610.733	4.482	5	40	KIBB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n21	409010226	BLDGUHBPECYIAC-XQNWCSQWSA-N	649.678	4.009	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	409131465	IMWFEFREJSIPOK-RQZCQDPDSA-N	584.344	4.298	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)c1ccc(Br)cc1	409228091	ZXODDHODIGBSMM-NDENLUEZSA-N	532.372	4.113	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)C2=O)o1	409387111	TYOBZMCIYWWNAN-VXLYETTFSA-N	511.468	4.407	5	40	KIBB	
O=C(Nc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C(=O)O)c1cccc(I)c1	3657206	BJYFAUULCORTML-UHFFFAOYSA-N	531.262	4.402	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	17721876	RJBSDGADCGPIIN-DSITVLBTSA-N	503.511	4.280	5	40	KIBB	
COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@@H]3C=Cc4ccccc4N32)cc1	100817907	LSPPNXQHQXAJBH-ZCLKUGBOSA-N	509.518	4.185	5	40	KIBB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4ccc([N+](=O)[O-])cc4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)cc1	103551055	JNQMUKCDYNLRIY-XPGKHFPBSA-N	537.528	4.170	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1	222535987	IOXMQAUCWUKIII-PMERELPUSA-N	622.744	4.458	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1	408817637	WLDSZYNGAMJIMM-BIWBSIMWSA-N	603.628	4.433	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1	100815400	YUIZUAVGNNIZDO-ZDGAQAAHSA-N	547.564	4.414	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222871599	MPNBIUFHKRACML-MUUNZHRXSA-N	626.732	4.448	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223396132	QVEQXVAXPWINDO-NEKDWFFYSA-N	580.707	4.224	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408625558	VNCZQLMEOOURNV-UHFFFAOYSA-N	566.636	4.372	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409132285	XCLLPNNQLPINIB-RQZCQDPDSA-N	584.344	4.298	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21	100971487	LFDJABJOWZRAMW-NEWJYFPISA-N	514.925	4.277	5	40	KIBB	
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4Cl)c(=N)n(Cc4ccc(F)cc4)c3nc12	101116049	VEZFFEMKLLLLGA-UHFFFAOYSA-N	501.949	4.208	5	40	KIBB	
O=C1/C(=C/NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2C(=O)N1Cc1ccc2c(c1)OCO2	103004388	BEYZEGOAJSJHOD-WOJGMQOQSA-N	526.427	4.483	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409093607	ARBILUYJLLNZQB-LMVGNEGFSA-N	663.734	4.069	5	40	KIBB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(Br)cc1F	14411796	TZQYMJKDQPOPCR-UHFFFAOYSA-N	508.325	4.330	5	40	KIBB	
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	35086408	PKDRVZOKFGMDRB-HNNXBMFYSA-N	501.492	4.027	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223053679	BSEJRWKIXAYHQR-HSZRJFAPSA-N	566.680	4.432	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223096259	ADKUCGFGVFOVBF-NHCUHLMSSA-N	570.643	4.261	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12	247328385	OFSSHTWKXANFPL-QPXUXIHVSA-N	514.925	4.277	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408662044	MKCORJDYGADNJU-OAHLLOKOSA-N	519.897	4.316	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2OC)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1	409099700	SWYZNWQRUGXDIT-HTCWZNLXSA-N	647.735	4.451	5	40	KIBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1	409154819	OPIFJZHOBKLWBI-HMAPJEAMSA-N	599.599	4.055	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1	9088325	HGLVIFNJPCFVLH-QYOOZWMWSA-N	509.518	4.310	5	40	KIBB	
CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1	22825514	LQPUKJZKZYUULM-UHFFFAOYSA-N	502.531	4.125	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21	40399553	IQYZKZXTNVUSEY-GFCCVEGCSA-N	503.302	4.101	5	40	KIBB	
O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21	103899282	UHTBJYZILVMUJT-MYDTUXCISA-N	500.898	4.010	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	104708299	YBHDRFWOJGCKAA-UHFFFAOYSA-N	566.057	4.369	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225707332	KGDPNHNAXWNBQO-OPAMFIHVSA-N	573.499	4.390	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	260819809	XPUFSAWMHHLLMZ-MRXNPFEDSA-N	601.509	4.152	5	40	KIBB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	19941410	UCBBGDHEXDMUCB-VWLOTQADSA-N	530.633	4.042	5	40	KIBB	
COc1ccccc1-n1c(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1SCC(=O)N1CCc2ccccc21	100816742	DVPMXANZAAJMEM-UHFFFAOYSA-N	579.038	4.449	5	40	KIBB	
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n(Cc4ccc(F)cc4)c3nc12	101095779	HMEOBJWOVBRGQD-UHFFFAOYSA-N	508.962	4.111	5	40	KIBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1Br	102766644	SITBJMVEILNJBS-YPAWHYETSA-N	524.327	4.417	5	40	KIBB	
COc1ccc2c(c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@]13CCN(C)[C@@H](C2)[C@H]1CCC1(C3)OCCO1	103835715	PLJWVESELALUGK-WYEJZRMESA-N	511.531	4.345	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1CN1CCCCC1	224810644	ARFVSAMPHLDTFG-UHFFFAOYSA-N	522.627	4.092	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408943823	MFNMFFIGKSXTMZ-VVNKCDPRSA-N	596.017	4.247	5	40	KIBB	
CCCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1	409131669	JDUHZUMLXAIZET-JOCHJYFZSA-N	554.629	4.148	5	40	KIBB	
COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC	22254682	XKWJMUOKPNRYNI-UHFFFAOYSA-N	517.535	4.278	5	40	KIBB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409090574	RIGVEJHITIARPW-SGEFVQMOSA-N	598.371	4.385	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C	409150410	BXVAPEFFTVAETM-NRFANRHFSA-N	512.592	4.078	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	409207641	ZGOZCZBTZDYVCG-JLPGSUDCSA-N	591.602	4.302	5	40	KIBB	
O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	3269466	JMPWKQNZCSKAGD-QHCPKHFHSA-N	505.914	4.497	5	40	KIBB	
COc1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	44802996	IOLJWZGRUUSRDT-UHFFFAOYSA-N	519.963	4.408	5	40	KIBB	
Cc1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1	59331555	BSQXSFDXCYSGJC-UHFFFAOYSA-N	518.555	4.070	5	40	KIBB	
CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	101673375	OBCHPPWWIMNPNJ-XJUOHMSHSA-N	599.350	4.421	5	40	KIBB	
COc1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN2N=N[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]32)cc1	102675825	VZQJNOFEEANDLO-GGCFSWKVSA-N	603.595	4.428	5	40	KIBB	
O=C1[C@@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	103152279	FVMDOKZVFGOTOU-QLBJFCOMSA-N	602.405	4.028	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	224863958	KGGPXKZLPIJOSI-MHZLTWQESA-N	601.125	4.487	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1	260878668	BUKARUMEIRUWFO-JOCHJYFZSA-N	566.680	4.431	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	261075748	QNRATKCZWJXJPO-SFTDATJTSA-N	570.643	4.261	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409093605	ARBILUYJLLNZQB-JYXZFHPPSA-N	663.734	4.069	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409205038	FRNOWBGYEXQVMZ-ROTLSHHCSA-N	620.596	4.067	5	40	KIBB	
Cc1coc2c(C)c3oc(=O)c(CCC(=O)N4C[C@@H]5C[C@@H](C4)c4ccc([N+](=O)[O-])c(=O)n4C5)c(C)c3cc12	524729178	HKVQUDVWCQKUOY-ROUUACIJSA-N	517.538	4.113	5	40	KIBB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(F)cc1	1825239	VEDYTPIRSWGPLU-YMSBRDKKSA-N	533.537	4.106	5	40	KIBB	
O=C(CC[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccco1	2967554	PJPDLRSSWLICPA-NRFANRHFSA-N	503.540	4.176	5	40	KIBB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	20009920	FFQFIAADZIVXLL-HXUWFJFHSA-N	503.964	4.094	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	100838383	YDJOMMZUXPHZHJ-LIONHTAISA-N	524.489	4.210	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1	111470228	PVGZSJMDQLKJGU-YMSBRDKKSA-N	533.537	4.106	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223246813	FVUXFEVDCKYOMA-OAQYLSRUSA-N	570.643	4.263	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225354178	RKKBEGSJVIZIDZ-FGZHOGPDSA-N	582.679	4.131	5	40	KIBB	
COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408570101	YYMPKSACQIPVNC-FODJJAHYSA-N	583.395	4.467	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	409100986	WHWZRQCYKFGIKN-DBLMTGOPSA-N	586.670	4.182	5	40	KIBB	
CCOC(=O)c1sc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)c(C(=O)OCC)c1C	2053047	KBRRIAPKLRIQAV-UHFFFAOYSA-N	527.467	4.180	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	6227689	ZCMHPYCETDWTPB-DJTCXORXSA-N	573.583	4.004	5	40	KIBB	
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl	6446564	AIERJEUEJCIKFW-UHFFFAOYSA-N	500.964	4.011	5	40	KIBB	
COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n31)c1ccccc1CC2	145537588	RPUKVZDJNVGDSA-ZGOFBEGVSA-N	525.586	4.244	5	40	KIBB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260779314	KFNRUDCSEBMGMU-HSZRJFAPSA-N	610.733	4.482	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1	408623126	DBULVZIKKRRJTQ-UHFFFAOYSA-N	536.610	4.445	5	40	KIBB	
CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)CC1=O	408672978	VWTNSFAKHQMFNP-IBGZPJMESA-N	527.533	4.479	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408689287	YBXYDNKNDVNSCO-VOBQZIQPSA-N	500.349	4.336	5	40	KIBB	
COC(=O)c1c(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)sc2c1CCCC2	409122103	ZCYMDHIJMLJWIL-UHFFFAOYSA-N	529.596	4.156	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccccc2OC)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409124958	CORUYOZQMKSFQB-OAQYLSRUSA-N	512.592	4.073	5	40	KIBB	
O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3[nH]2)n1	59089726	RBOVWHGJMCMPPK-UHFFFAOYSA-N	579.580	4.112	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223787113	AEJZKFPNJOWFTB-HXUWFJFHSA-N	573.071	4.387	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224711216	AVGSDUDATCYSFU-JOCHJYFZSA-N	552.653	4.042	5	40	KIBB	
Cc1ccc(OCCNC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)cc2)c(C)c1	224863725	UYUHMWVJPXDNKV-UHFFFAOYSA-N	511.600	4.295	5	40	KIBB	
CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl	224937332	QRRREFDDSFQTJJ-UHFFFAOYSA-N	503.964	4.023	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1	408643068	OQOANICVATUKQW-HKUYNNGSSA-N	516.337	4.483	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1	408689982	SXHQCNPGPAHBGY-DTTIITEWSA-N	539.544	4.320	5	40	KIBB	
CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1	108068248	ABHVPQAJJTUIPB-UHFFFAOYSA-N	545.065	4.034	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](C)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1	408678640	BSSSGQBRZRHIDV-SSDOTTSWSA-N	565.149	4.383	5	40	KIBB	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1	21577722	OLPIUQWWOSRCOG-UHFFFAOYSA-N	500.511	4.321	5	40	KIBB	
CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1	22343831	KVXDAIMSASBKQE-DEOSSOPVSA-N	527.599	4.383	5	40	KIBB	
CC(C)COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1	33612468	VQAMOIMLPBMWFF-UHFFFAOYSA-N	525.675	4.457	5	40	KIBB	
CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(OC)cc4)CC3)cc2)cc1[N+](=O)[O-]	57317186	LXNGQHBCHKRLSR-UHFFFAOYSA-N	504.543	4.217	5	40	KIBB	
Cc1c(C(=O)Oc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	100350018	MTELFLMLAWYJFT-UHFFFAOYSA-N	526.370	4.375	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	109051858	CCANPNILRUOIQB-DKOMQPSQSA-N	572.039	4.156	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	163763619	VPQZUUYIPDVIEJ-LRAMOIDDSA-N	630.591	4.136	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224674376	QRXIKNUBAGKJIP-QFIPXVFZSA-N	552.653	4.042	5	40	KIBB	
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225214206	AGTOXLNIEKJKIP-JOCHJYFZSA-N	501.555	4.378	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225322735	KEYBECIOIUZWQA-FQEVSTJZSA-N	589.498	4.010	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	408832331	RWRGGGBOSPLVOH-LJJBLSSYSA-N	616.490	4.266	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409097305	GFPSUZCXDHIOGC-LWRBDHNKSA-N	698.577	4.433	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1	409101503	XXSDFVWGTCNHKC-WLGHQHAYSA-N	605.723	4.370	5	40	KIBB	
O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1	138849234	ZCVJAWZTAQNKPO-HVJZFTSCSA-N	579.392	4.304	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408664148	YVHZDDZFTVYJPY-MFRYECHYSA-N	516.337	4.173	5	40	KIBB	
CCCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OC)=C(CC)N=3)cc1[N+](=O)[O-]	409046977	LTMWJLOKESVAJB-VOSMRYOYSA-N	586.464	4.258	5	40	KIBB	
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CC(C)(C)NC2(C)C	14180516	ZAANHCCBNPBWCS-UHFFFAOYSA-N	503.577	4.096	5	40	KIBB	
CCCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC	17885575	FEIXJYOIIGFHJV-SDHOMARFSA-N	503.511	4.443	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O	104121053	OPHQUYPJAKIGPB-VPBXCIAMSA-N	524.489	4.210	5	40	KIBB	
COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1	408622560	PEBPUZLPCKAYPD-UHFFFAOYSA-N	503.964	4.395	5	40	KIBB	
CC1(C)C[C@H](C(=O)CCC(=O)NCCCn2ccnc2)[C@H]1CCc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1	643587767	LYVPHASUWYDXNU-XZOQPEGZSA-N	506.607	4.332	5	40	KIBB	
C[C@@H](SCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	3324708	ZTSXUVQGJWQBHE-GFCCVEGCSA-N	527.584	4.187	5	40	KIBB	
COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)CC2)c1	20411647	IENWXVSSMTZLKD-UHFFFAOYSA-N	504.543	4.135	5	40	KIBB	
O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)nc(S)n1c3ccccc3nc21	20618207	LSZDEVAOFRXYRI-UHFFFAOYSA-N	514.630	4.406	5	40	KIBB	
COC(=O)c1ccc(C)c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	59652723	PNBONLHONUSGCI-UHFFFAOYSA-N	562.000	4.494	5	40	KIBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1Br	101240876	SITBJMVEILNJBS-VSKRKVRLSA-N	524.327	4.417	5	40	KIBB	
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	103090885	TWHYOALGYIXNQG-AWEZNQCLSA-N	561.956	4.004	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)CCOc1ccc(Cl)cc1Cl	103628727	YJDMCQKCGZSRIB-GDWJVWIDSA-N	573.433	4.066	5	40	KIBB	
CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223475873	OUWWATUGCLKHNV-FQEVSTJZSA-N	603.525	4.398	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732133	SMCBGDLFLIICKJ-YRSDHNRQSA-N	630.635	4.311	5	40	KIBB	
COc1ccccc1CNC(=O)C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O	2968523	MKWJPHAMDRBWHX-QFIPXVFZSA-N	529.578	4.202	5	40	KIBB	
COc1cc(C(=O)OCC(=O)Nc2sccc2C(N)=O)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	3433265	VORAYLCARWVJPK-UHFFFAOYSA-N	505.892	4.005	5	40	KIBB	
COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	9543564	UBAAPZXADROZTD-UHFFFAOYSA-N	506.467	4.319	5	40	KIBB	
COc1ccccc1-n1c(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)nnc1SCC(=O)N1CCCc2ccccc21	100816755	HZWGWFXQUHBLOF-UHFFFAOYSA-N	572.647	4.494	5	40	KIBB	
CC(C)C[C@@H]1N[C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12	101509362	IUTMDQGNVXQXJW-DIKZQZFXSA-N	570.005	4.328	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1OC	408829926	MNLMIMNRXZFUCZ-PNZYDNNZSA-N	563.563	4.114	5	40	KIBB	
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)c1O	408880854	ITLXNRBKAIAISJ-IDUWFGFVSA-N	541.460	4.402	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409095602	HZIBJFDQYBQSSV-OGRZUZBBSA-N	576.078	4.456	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1ccc(F)cc1	2159110	PVCNLAUHUHDBSE-PNZYDNNZSA-N	563.563	4.114	5	40	KIBB	
COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OC)c([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)c1	100140569	CBICPJRONCXRBR-SUAMDDGLSA-N	525.586	4.244	5	40	KIBB	
COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C	103066996	GOBLHIFZPBTIJJ-UHFFFAOYSA-N	553.911	4.170	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225387345	YWKBXUIZIKLESA-FCHUYYIVSA-N	582.679	4.131	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O)N1CCOCC1	409131434	VSSMMWMWBDOWTP-REZTVBANSA-N	512.327	4.057	5	40	KIBB	
CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1C	3361288	PBVJHGAECXSHFQ-SFHVURJKSA-N	541.582	4.311	5	40	KIBB	
COc1cccc(NC(=O)CSc2nnc3c4sc5nc(N6CCOCC6)c6c(c5c4ncn23)CC(C)(C)OC6)c1	102568679	BUXYTIOMHDYPRD-UHFFFAOYSA-N	591.719	4.315	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222768871	RRGBIZYQWGRUDW-XMMPIXPASA-N	623.515	4.062	5	40	KIBB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223566627	CBYXIFZIRBRWJH-HXUWFJFHSA-N	603.525	4.398	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224276036	NQFBPDCODKHHOY-VWLOTQADSA-N	573.071	4.387	5	40	KIBB	
CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@@H]3O[C@H](c4ccccc4)O[C@H]23)[C@@H]1O	254239103	XVSHGAAPBNVZEJ-UVOOIKRXSA-N	728.703	4.131	5	40	KIBB	
Cc1ccc(C)c(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c1	408637818	AGPDUELAYNOPAK-GOSISDBHSA-N	513.506	4.279	5	40	KIBB	
C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408657553	NBDCFNFRBWOHPJ-PLBSAUALSA-N	579.392	4.302	5	40	KIBB	
O=C(CNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1	408736725	GJAFNYXIOLPACY-MUUNZHRXSA-N	551.599	4.314	5	40	KIBB	
O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	98046013	FVMDOKZVFGOTOU-HVCNVCAESA-N	602.405	4.028	5	40	KIBB	
CCN(CC)S(=O)(=O)c1ccc(NN/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)c([N+](=O)[O-])c1	103004657	RPYZZQMEPLAXEP-JJIBRWJFSA-N	563.636	4.387	5	40	KIBB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224286285	QROIXQDNPKOROL-OAQYLSRUSA-N	570.643	4.119	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225143484	XMEGUPLAUAUIJZ-DEOSSOPVSA-N	565.092	4.271	5	40	KIBB	
CCOC(=O)C1=C(COC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)NC(=O)N[C@H]1c1cccs1	245228433	XXJRVIXSYVBTLS-LNPFQXMTSA-N	542.614	4.167	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)c3ccc4c(c3)OCO4)[C@@H]2C1=O	248112439	OGDFZUCTTIDXJD-BKKFENPESA-N	523.501	4.030	5	40	KIBB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1	408685249	LBKHYHBQEFFWAD-UKDVSSAZSA-N	527.533	4.464	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Cl)c(=O)n2[C@@H]1c1ccccc1Cl	409001973	RMESBCNVBXIFIH-BUDOKORBSA-N	518.378	4.013	5	40	KIBB	
CCOC(=O)COc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-]	409035237	JHXBQEWIPCNAKP-JSXXSUDDSA-N	718.579	4.207	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409182611	NDVOIJKNLBNELX-AQIZGWBQSA-N	574.571	4.183	5	40	KIBB	
COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1-c1ccc(CO)o1	20153237	BJYSRKJGEMEVRB-UHFFFAOYSA-N	510.572	4.473	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	100715220	YCWYZIHKEKUMPS-FJWZAKCXSA-N	535.965	4.230	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222810264	BIAIKYDMTNNESR-MHZLTWQESA-N	582.679	4.131	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	224804338	HRXVFROKZKPDHX-LJAQVGFWSA-N	622.744	4.377	5	40	KIBB	
Cc1ccc(OCCNC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)cc1C	224856752	JHOICQMHKRTLGF-UHFFFAOYSA-N	511.600	4.295	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408640112	AIQIWDGKSDYLJQ-PLQXJYEYSA-N	553.527	4.005	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c2=O)=N1	409030157	CNUVRGAQIPLYDJ-LYRGBEMXSA-N	616.490	4.266	5	40	KIBB	
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22827053	UHIJSVZXDWRNQP-UHFFFAOYSA-N	503.540	4.366	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	98087011	HUNHWWSJLMXWSM-UDWIEESQSA-N	506.496	4.466	5	40	KIBB	
COc1ccc(C(=O)O)cc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1Br	113559913	ZAERIZWFNBIDKW-BOPFTXTBSA-N	530.287	4.067	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223004817	JCGDJWKLJLWUHO-QHCPKHFHSA-N	566.680	4.432	5	40	KIBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2C(=O)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1	408650364	MLANQFIVWSTTBS-SFHVURJKSA-N	506.898	4.258	5	40	KIBB	
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21	409012543	ITDIPWLDYGBMOF-IAOUMNOZSA-N	633.679	4.390	5	40	KIBB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	103084537	NFQYNNRGHYTKAL-AWEZNQCLSA-N	533.946	4.242	5	40	KIBB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OCO2	103113594	MJGPQXUOURBQNM-UHFFFAOYSA-N	524.338	4.464	5	40	KIBB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223806380	NIIUZQJIXJSKII-JOCHJYFZSA-N	553.081	4.046	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224095476	AWZMJMLSXASZCN-MUUNZHRXSA-N	580.707	4.144	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225280372	BMRAUWQLARVAMB-MUUNZHRXSA-N	580.707	4.226	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(O)c3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408733202	GEJNMCXFUHZQGT-DKOMQPSQSA-N	565.991	4.326	5	40	KIBB	
O=C(CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)Nc1ccccc1F	409217043	QZLUFCUGYCTEFC-CIAFOILYSA-N	616.343	4.449	5	40	KIBB	
Cc1cc(C)c2cc([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	100355118	VMGUFKTWIIPFTH-GDLZYMKVSA-N	564.650	4.194	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1	102759382	BJUJRUBMXKWMAE-UBFVSLLYSA-N	519.510	4.062	5	40	KIBB	
CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224439682	DLVVQISYHLHDNJ-SANMLTNESA-N	584.670	4.055	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	225683737	CZAPFRRURVKBGU-QFIPXVFZSA-N	614.696	4.436	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12	247296709	CRGUNCJDWJDPDE-LUKWVAJMSA-N	500.898	4.010	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@@H]2C1=O	248120375	DQHRRIALCJSXKU-ZYQDXHPFSA-N	544.951	4.411	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)S(C)(=O)=O	408546280	DJAFJWVTJLYFGH-UHFFFAOYSA-N	603.462	4.116	5	40	KIBB	
O=c1/c(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc2nc3cc(Br)cnc3n12	709313	YWKVKQOOUCFVKC-APSNUPSMSA-N	503.721	4.436	5	40	KIBB	
CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223806386	NIIUZQJIXJSKII-QFIPXVFZSA-N	553.081	4.046	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409181998	HPGORHNGPCSSIR-UHFFFAOYSA-N	564.960	4.316	5	40	KIBB	
CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409255114	XYIXMHWHPARHTJ-LICLKQGHSA-N	537.310	4.090	5	40	KIBB	
O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1c1ccc(F)cc1	8972152	UAMPHOPFRLQHBP-WNCULLNHSA-N	515.501	4.095	5	40	KIBB	
O=C(N[C@@H](N[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	104126023	VGTRTFZLYLYUJM-CLJLJLNGSA-N	615.515	4.466	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732765	YNLUREFDSXVSJC-UPWSPCOFSA-N	585.638	4.403	5	40	KIBB	
C[C@@H](OC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	3298673	MRAHQHDJMWNTAZ-CYBMUJFWSA-N	558.956	4.287	5	40	KIBB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1[N+](=O)[O-]	408672329	VSZINBCCOKJHCI-CYBMUJFWSA-N	524.755	4.162	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408685928	QJOZPWIOQBHGDI-UPRAQXHNSA-N	500.895	4.135	5	40	KIBB	
CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)cc1	409339937	MZVSZUDAPLRGCP-HMAPJEAMSA-N	510.572	4.230	5	40	KIBB	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(I)c1	8835226	WOWWGHOSXRQQDZ-UHFFFAOYSA-N	506.119	4.089	5	40	KIBB	
O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl	409377978	MGPNVVAZUCNELW-UXHICEINSA-N	547.303	4.376	5	40	KIBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl	103060012	XZIHZGYDNIJEOJ-MRXNPFEDSA-N	549.820	4.292	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	111460920	ZYTYIIUDBGUNFS-BIWBSIMWSA-N	589.626	4.374	5	40	KIBB	
NCCCC[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)OCc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	150400367	DMMUUUSPVBZVPJ-ZTJXOPACSA-N	799.834	4.021	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC	409101770	REMFJYJNAMLJSG-ABBNRAPFSA-N	572.643	4.280	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-]	224417657	SEPBDTVEYIJSLG-HNNXBMFYSA-N	512.390	4.479	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(Br)cc2)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-]	224758254	DEKMYOWGBFVSAU-INIZCTEOSA-N	534.407	4.221	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409171601	APSURKKYUHRPDO-UHFFFAOYSA-N	546.989	4.358	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OC)c(OC)c3OC)[C@@H]2C1=O	1314620	ZYJAUJFJYYVXMJ-FXSPECFOSA-N	549.536	4.070	5	40	KIBB	
Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1C	6441863	JCEINRSRYLMZSP-MHZLTWQESA-N	542.644	4.456	5	40	KIBB	
O=C(c1cc(I)ccc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	16383999	VCZKJBDJBKQKAY-UHFFFAOYSA-N	506.127	4.469	5	40	KIBB	
Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)c1	59331491	FLGVTXMPPQRLJC-UHFFFAOYSA-N	519.583	4.119	5	40	KIBB	
O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCN(c2ccccc2F)CC1	101501516	WAHMRONVJGRXSU-UHFFFAOYSA-N	534.599	4.403	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2c(I)cc(I)cc2C(=O)O)cc1[N+](=O)[O-]	150341519	DRZYAEJMIZLZHK-UHFFFAOYSA-N	641.181	4.028	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NC(C)C	224783037	VBPUVMRITGTBNG-NDEPHWFRSA-N	580.707	4.142	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224830127	BRBBIZAKQCMZCQ-OAQYLSRUSA-N	603.525	4.256	5	40	KIBB	
CC[C@@H](C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260941170	RGKIXIWUUJVAER-UTKZUKDTSA-N	521.636	4.466	5	40	KIBB	
COc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc2ccccc2c1Br	105318968	NULCXOKRUTZKPD-UHFFFAOYSA-N	555.429	4.318	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222908277	IQXCJYVTMXKTTC-MHZLTWQESA-N	566.680	4.165	5	40	KIBB	
CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223521635	JWIPYTOAPIZSMC-HXUWFJFHSA-N	603.525	4.398	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225301724	DWHWQWCJKXRPIE-NDEPHWFRSA-N	580.707	4.226	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl	408621766	MDYXNHICSJUEJG-UHFFFAOYSA-N	515.975	4.321	5	40	KIBB	
COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCc1ccc(I)cc1	409316761	QWKZUSYCBLCYCJ-XBXARRHUSA-N	521.267	4.159	5	40	KIBB	
CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1	9128957	CHCFZHFNBQFBEJ-GOSISDBHSA-N	501.944	4.276	5	40	KIBB	
COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	26965052	ZGRQDHWUVGZDSY-HSZRJFAPSA-N	503.540	4.271	5	40	KIBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1	39752892	NFIALVOQQKRLAQ-KPKJPENVSA-N	500.427	4.457	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224060280	LUFULKQEBWNQER-AREMUKBSSA-N	519.598	4.457	5	40	KIBB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1NS(C)(=O)=O	225488205	JXILVRVZBLYJPM-LOSJGSFVSA-N	564.649	4.338	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C(=O)NC(C)C)cc1	260713503	DIKVSRXDZPCJEI-JOCHJYFZSA-N	612.705	4.058	5	40	KIBB	
COC(=O)c1cccc(Cn2cc(/C=C3\NC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)c1	408542485	LTSUOYWNSRUZJP-OYKKKHCWSA-N	510.506	4.477	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccc(OC)cc1	408830042	MYOAEGLJUHTDOY-RISWYLRJSA-N	559.600	4.284	5	40	KIBB	
CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409140059	PSNKHBIXEFQQKB-OAQYLSRUSA-N	512.592	4.073	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N/C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	100823309	JYWKOGHLXRAIGX-KEIPNQJHSA-N	582.457	4.251	5	40	KIBB	
COc1ccc([C@H]2N[C@@H](c3ccc(OC)c(Cn4cc([N+](=O)[O-])cn4)c3)[C@H]3CCC[C@H]2C3=O)cc1Cn1cc([N+](=O)[O-])cn1	101570284	LRBUOYLSQVFZDL-JFTOOJIJSA-N	601.620	4.381	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C	107914408	JKFVMACLUKUKDK-QFIPXVFZSA-N	526.619	4.381	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223940794	TWGZJDJTBMMPAR-FQEVSTJZSA-N	617.522	4.496	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408765436	VZEYMBZSVGMSGM-ARLGEPFESA-N	666.506	4.329	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cn1	409399947	MFYZYYKTSDTEFR-MFOYZWKCSA-N	587.339	4.416	5	40	KIBB	
CCN(CC)C(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(C(=O)OC(C)C)c1C	2083591	KLYFTCSRIWFNJT-UHFFFAOYSA-N	506.537	4.481	5	40	KIBB	
O=C(NC(=S)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	8835481	ABKITIADPXOYJB-UHFFFAOYSA-N	505.535	4.195	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1c(OCC)ccc2ccccc12	101177310	CNFQMCRDTDLPDT-GHPSFRITSA-N	566.614	4.298	5	40	KIBB	
COc1cccc(OS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)Oc4cccc(OC)c4)cc2[N+](=O)[O-])C3=O)c1	158973584	OHPQRSDBYYRCKL-UHFFFAOYSA-N	642.576	4.267	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224324042	KKQXAGOSEWFKFG-VWLOTQADSA-N	523.561	4.288	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(O)n4)c(=O)n32)cc1	409109091	XPWRTINNJKXHMK-ZKZBLMLZSA-N	633.708	4.059	5	40	KIBB	
COc1ccccc1N1CCN(C(=O)CCCc2nnc3n4nc(-c5ccccc5)nc4c4ccccc4n23)CC1	101501457	NGNZAHDHNUUDHU-UHFFFAOYSA-N	546.635	4.272	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	260862466	HZWMVRVPZBQYML-HHHXNRCGSA-N	601.125	4.487	5	40	KIBB	
Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	408733074	VRXCNVPJOSKLPM-ABXDHCHGSA-N	538.512	4.462	5	40	KIBB	
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59331570	KJOKEWGQXVFQQN-UHFFFAOYSA-N	518.555	4.070	5	40	KIBB	
Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(Cl)cc3)cc3c(=O)n4cc(C)ccc4nc32)cc1	100851571	XTGNOOUYXRCQPX-UHFFFAOYSA-N	504.999	4.280	5	40	KIBB	
COCCCNC(=O)CSc1nc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c2nc3ccccc3n12	102744563	DTOTZUPNKHGTOA-UHFFFAOYSA-N	587.702	4.270	5	40	KIBB	
CO[C@@H]1[C@H](O)[C@H](C)O[C@H](O[C@@H]2[C@H](Oc3cccc4c(O)c5c(=O)oc6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@@H]3O[C@H](c4ccccc4)O[C@@H]23)[C@@H]1O	254239101	XVSHGAAPBNVZEJ-SKGZIKTBSA-N	728.703	4.131	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(-c5cc([N+](=O)[O-])ccc5C)o4)c(=O)n32)cc1OCC	408941502	VXGPFIFQWFMKHQ-WUVWWEORSA-N	589.626	4.292	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409134439	SSNKODFMGAWCKO-QGMBQPNBSA-N	537.344	4.456	5	40	KIBB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	6003362	GVFHDMKMODEFLZ-DQEYMECFSA-N	630.651	4.494	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)Cc1cccc2ccccc12	31937015	ZOYMVSZLHNZIEK-BLCKFSMSSA-N	508.578	4.305	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSCc1cccc(Cl)c1	44802869	BAARYDRFJZKYBR-UHFFFAOYSA-N	520.032	4.493	5	40	KIBB	
CCCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1	59331724	NQODXUKWVCLXFB-UHFFFAOYSA-N	521.599	4.430	5	40	KIBB	
COc1ccc(C2=NN(C(=O)CSc3nnc(CNC(=O)c4ccc([N+](=O)[O-])cc4)n3C)[C@@H](c3ccc(C)cc3)C2)cc1	100817020	QNRJAJDPLAEBJM-AREMUKBSSA-N	599.673	4.440	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	101100680	FYPNFKXDECGYAK-VSKRKVRLSA-N	540.326	4.123	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1	223066813	HUUBCKZCZWXUJF-NRFANRHFSA-N	582.679	4.131	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225227083	BSBMUHMPWLSMFQ-INIZCTEOSA-N	522.396	4.078	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408733588	LEAWMGLWKXEAQB-ZRELAVNMSA-N	539.953	4.213	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409163377	QPIDXOMWGAXAJG-YUMHPJSZSA-N	668.706	4.191	5	40	KIBB	
CN(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O	409331709	HMXKSNKBUHAJET-XOBNHNQQSA-N	555.550	4.123	5	40	KIBB	
COc1cc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c(C)cc1[N+](=O)[O-]	102282706	XVIYTQJUONNYPE-UHFFFAOYSA-N	578.397	4.271	5	40	KIBB	
Cn1ncc(Cl)c1C(=O)Oc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1	102884205	AYXKOFJTDDUYNG-CUYJMHBOSA-N	618.946	4.160	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)cc1	104945193	FUULZYMAOKGADX-XXMKCSCWSA-N	603.682	4.045	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223682280	LNGYVJALSCOVKG-KDYSTLNUSA-N	614.696	4.063	5	40	KIBB	
CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224887848	GZSCKUVPINGBNX-AREMUKBSSA-N	587.098	4.179	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225703090	DBSDTUIABXEMMT-SANMLTNESA-N	552.653	4.122	5	40	KIBB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C	888089103	HSLUCMCJGBLOOC-INFYLKHNSA-N	643.436	4.400	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1	100888610	MQWAIZJUSZVKJB-QUMGSSFMSA-N	525.517	4.010	5	40	KIBB	
COc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c2)c(C)cc1[N+](=O)[O-]	103102555	ORSNTBHNMAVPBH-UZTOHYMASA-N	559.641	4.297	5	40	KIBB	
O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	105394436	LNZWKQDHTIRPCY-AWNIVKPZSA-N	541.608	4.046	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223264014	RRABBPPKUUWWGN-VWLOTQADSA-N	505.571	4.067	5	40	KIBB	
COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1NS(C)(=O)=O	225488021	PWMXYSQVWBEGFJ-RPBOFIJWSA-N	564.649	4.338	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	408683638	LVGHKTGIMXZFHK-LJHODMEESA-N	528.359	4.019	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc2c(c1)OCCO2	409205686	FCGQWRINMNPAFH-CIAFOILYSA-N	507.480	4.301	5	40	KIBB	
Cc1nc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1I	14275612	WIBMLLHOSZHBPU-UHFFFAOYSA-N	508.297	4.290	5	40	KIBB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	19941412	MRYJJAWEKZRKGD-SANMLTNESA-N	528.617	4.012	5	40	KIBB	
Cc1ccc(S(=O)(=O)N(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c2ccccc2)cc1	100570934	JKWJBKZKULEKNG-UHFFFAOYSA-N	539.595	4.413	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(I)c1OCC(=O)OC	105431272	CDBOIRADOAONKG-ZDLGFXPLSA-N	598.371	4.386	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1	224020187	KOCNBJNLMNITJF-QFIPXVFZSA-N	594.690	4.275	5	40	KIBB	
COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C=Cc3ccccc3[C@@H]21	248144002	RNFZWLJSTLRXID-FQUZAXHOSA-N	544.951	4.411	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409041336	UZYXXKQKFBSYKB-FLGOMVIPSA-N	717.753	4.245	5	40	KIBB	
Cc1c(F)cccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C	409140917	FQFSCLOSLKNNTO-FQEVSTJZSA-N	500.556	4.029	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21	408651683	NUOWHJKKONPMKX-JRQSSSKMSA-N	516.337	4.339	5	40	KIBB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1Cl	408687424	UIORNSXIZNCUFE-HUUCEWRRSA-N	502.310	4.093	5	40	KIBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)C2=O)cc1	409158427	OOITYEPNKAICQV-QRVIBDJDSA-N	583.600	4.355	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3cccc(F)c3)C2=O)o1	409401958	UQGXURYOAVCMPC-NVMNQCDNSA-N	529.864	4.439	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1c(-c2ccccc2Cl)noc1C	101177134	HVXIPQMVMLUZMK-DRHMIVHSSA-N	588.020	4.363	5	40	KIBB	
O=C1[C@@H]2N=NN(CC(=O)N3N=C(c4ccc(Br)cc4)C[C@H]3c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	103152277	FVMDOKZVFGOTOU-ICDZXHCJSA-N	602.405	4.028	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	224411390	WLMFVAHZKAVMTM-MHZLTWQESA-N	598.697	4.363	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260982014	OFWCJIDCVYMHKX-RTWAWAEBSA-N	570.643	4.261	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	409084984	NNNYSNMFHRDZBN-HMEHKCSNSA-N	744.358	4.187	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O)Nc1ccccc1Cl	409228897	GTTQBCMGYFVKJY-MKMNVTDBSA-N	512.725	4.391	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	103629241	VNMWJISJWWWJGJ-HOJNPUGISA-N	585.444	4.207	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1	225500144	BGSXJTUXQUZLTL-QFIPXVFZSA-N	552.653	4.040	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409105087	JCNUGXHDJJTIKB-OCEWKHMESA-N	633.708	4.055	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	409310218	SGSIYHJJRFQJNS-UHFFFAOYSA-N	616.718	4.311	5	40	KIBB	
COc1ccc2c(ccn2CCCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)c1	1547208805	SYFWDURWDMOJTJ-JGEVHJSXSA-N	567.646	4.091	5	40	KIBB	biogenic
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)Cc1ccc(OC)c(OC)c1	103628789	SRYYVZBJCSJRJO-BLCKFSMSSA-N	544.608	4.018	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	139078837	LVGHKTGIMXZFHK-DKSSEZFCSA-N	528.359	4.019	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4cccs4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408644265	QUNOOCCADVZGHB-GOTSBHOMSA-N	573.583	4.457	5	40	KIBB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O	409220530	BBXSXAKURKNTSV-HZHRSRAPSA-N	500.511	4.268	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1cccs1	2307080	YDTOBVQEHRXLGD-VLOXRPPESA-N	521.576	4.028	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc2c31	70708387	MSSOANJTNFRZLY-UHFFFAOYSA-N	576.609	4.296	5	40	KIBB	biogenic
CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(I)c1OCc1ccccc1	102577342	YDXZDXDERPJIQF-HJWRWDBZSA-N	535.294	4.136	5	40	KIBB	
CC(C)(C)c1ccccc1OCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223674260	OGWCKWCEWWAYFF-UHFFFAOYSA-N	511.600	4.283	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1	224240634	JDQWHPWKCWFKTR-MHZLTWQESA-N	580.707	4.224	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261030548	XCAJLFDDYSUZGZ-CVEARBPZSA-N	589.498	4.008	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409147945	WYXXTBVETDOUCQ-IDQDRXHYSA-N	532.405	4.322	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)cc2)cc1[N+](=O)[O-]	409197471	GHSAUIHMIIAYPF-ONUIUJJFSA-N	622.681	4.056	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(Br)cc1O	409269331	BIICMSIZHGIPOS-LSCVHKIXSA-N	507.318	4.381	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1	3280735	GVNYJPRGJZDIDA-HGZMWJMZSA-N	513.510	4.435	5	40	KIBB	
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8833355	MRINFUJDNSBMKL-UHFFFAOYSA-N	502.556	4.102	5	40	KIBB	
C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1)C(=O)Nc1cccc([N+](=O)[O-])c1	13134711	HHUSZBZUVSHMMC-LBPRGKRZSA-N	509.949	4.295	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1	224854488	LERGKDSQPLIUHQ-LJAQVGFWSA-N	592.718	4.368	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](c5ccccc5)CC[C@H]4C3=O)c2)c1	408678563	BQYGDICNCSYNIM-IEXUWNMDSA-N	557.559	4.472	5	40	KIBB	
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Br)cc4)c(=N)n(Cc4ccccc4)c3nc12	101083702	GSNGFLBIBXVZFH-UHFFFAOYSA-N	535.423	4.081	5	40	KIBB	
O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105306503	RXZGSYPXUFNRKJ-UHFFFAOYSA-N	540.001	4.464	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224272080	MHBCVZJLUJVMRL-MHZLTWQESA-N	601.125	4.489	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccc(OC)c1	408827518	KDADNGVJCKSQTK-CBYYHRJHSA-N	563.563	4.114	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccccc1N1CCOCC1	409207401	WCZBMAXGEIVZJJ-HAHDFKILSA-N	561.576	4.294	5	40	KIBB	
O=C(Oc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1)c1ccc(Br)c([N+](=O)[O-])c1	3014139	PFONGNDBZJRXAU-UHFFFAOYSA-N	512.228	4.285	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222783364	GOITUMZAKGNCLP-NRFANRHFSA-N	573.499	4.308	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	409028779	SJJILHZULWZNHI-UHFFFAOYSA-N	604.641	4.376	5	40	KIBB	
CC(C)[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)c1nc2ccccc2[nH]1	1547211186	WYIMPPSRXTWMJR-DJFZUNGESA-N	552.635	4.311	5	40	KIBB	biogenic
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12	1314741	FPGFSNILVCQDKB-KIHHCIJBSA-N	514.925	4.402	5	40	KIBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1	20462651	KRHJHLBHZPQVRP-UHFFFAOYSA-N	516.801	4.191	5	40	KIBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN12	103547059	JNIHNHHTMVBUCU-GCFVYEKYSA-N	564.554	4.236	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	163731067	FXJKJFKLJBYEHG-MVQVQHCTSA-N	624.469	4.336	5	40	KIBB	
COc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1sc2nc(C)ccc2c1N	215692062	CQJUEPRQTKKAHJ-UHFFFAOYSA-N	520.523	4.396	5	40	KIBB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222871257	TVIOOIXSIUZENF-HXUWFJFHSA-N	570.643	4.261	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225169113	RQYRUPSXGVKZJY-HHHXNRCGSA-N	566.680	4.432	5	40	KIBB	
COc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1	260800252	OVCSXDHOZDFXMM-JOCHJYFZSA-N	594.690	4.275	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260984584	BNOBEESDCGDQCB-FIPFOOKPSA-N	580.707	4.224	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732766	YNLUREFDSXVSJC-ZJTZAHLKSA-N	585.638	4.403	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1	409401329	WVOFZJJFMQLIQO-GRSHGNNSSA-N	541.900	4.308	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cccc(Cl)c1	102758923	MKYNEQIETJIMTK-QCKNELIISA-N	537.016	4.344	5	40	KIBB	
O=C(COC(=O)C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Br	102937343	JBKRJXXIEURIBM-HSZRJFAPSA-N	606.426	4.357	5	40	KIBB	
Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3O)oc2c1	105310874	UCDPAJNVDVWVAD-UHFFFAOYSA-N	533.566	4.380	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(I)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	409082232	ILWAGPXTWHKRKZ-MGSPXPDISA-N	668.469	4.101	5	40	KIBB	
Cc1nc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1I	14275619	CSLRCSKADZJDFJ-UHFFFAOYSA-N	508.297	4.290	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	100398594	WSKQVVGNMZFBIX-DPFVXDSPSA-N	540.359	4.195	5	40	KIBB	
CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nn12	105304635	HQEPNJVEXAKZPB-UHFFFAOYSA-N	533.595	4.388	5	40	KIBB	
COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	105305939	QHUYHZUWXBCJAP-UHFFFAOYSA-N	531.598	4.454	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=N1	409029697	AKENAKLVHSTLNM-FJWZAKCXSA-N	586.464	4.258	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccs1	2228660	ACIXZMBKKJKCCF-VZIOXZNFSA-N	535.603	4.336	5	40	KIBB	
CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1[N+](=O)[O-]	9113167	ONJMOVDHXXGNOT-UHFFFAOYSA-N	505.531	4.476	5	40	KIBB	
CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1	12599608	QRKGYQLABSYXEC-UHFFFAOYSA-N	503.558	4.003	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1	408642822	NYUPPQCWRPELLI-ZWKOTPCHSA-N	516.337	4.483	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408653333	PNETWPYVEOYPPQ-VXKWHMMOSA-N	559.556	4.067	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1	409388157	KPJOJOZQGJUIPO-UHFFFAOYSA-N	518.389	4.495	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1	8768817	MGYJKFKSJWDLDZ-LEAFIULHSA-N	510.550	4.012	5	40	KIBB	biogenic
CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224747717	LGKNMOMAGPSLEM-JOCHJYFZSA-N	552.653	4.042	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1	225520489	TZADAFHXAMXLDM-QFIPXVFZSA-N	552.653	4.040	5	40	KIBB	
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)N4c5ccccc5C=C[C@@H]4[C@@H]3C2=O)c(C)c1	247857513	DGPYGWKOWBDUQU-RSYZFUPGSA-N	508.534	4.240	5	40	KIBB	
CCOCCCn1/c(=N\C(=O)c2ccccc2Br)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	1898396	RDCFHYYRPIWZAY-KRUMMXJUSA-N	567.440	4.065	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccs1	2678625	SHMPKSNSVRWDEB-WLJFKGHSSA-N	521.576	4.028	5	40	KIBB	
O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1	8438545	PBINIDUOUICDHZ-PMPAQKPWSA-N	515.572	4.017	5	40	KIBB	
CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1C	12546694	IIPVQMAKIREYHJ-UHFFFAOYSA-N	508.600	4.081	5	40	KIBB	
Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1	59331758	FDRNLUYRMYHXFI-UHFFFAOYSA-N	517.611	4.301	5	40	KIBB	
Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc12	100354555	KBROJFJMPNPKPX-GDLZYMKVSA-N	564.650	4.194	5	40	KIBB	
O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1[N+](=O)[O-]	408648911	CVOMDRYMUNCVAO-XWYWGPMTSA-N	537.355	4.231	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cccs1	408826829	DEZMXDQYJITSLE-AFHVAHMMSA-N	539.566	4.167	5	40	KIBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)c(OC)c3)C2=O)cc1	409172346	CQKGDIDLJXLVMS-CFRMEGHHSA-N	613.626	4.363	5	40	KIBB	
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8833021	YKCZTKNGIRYXGS-UHFFFAOYSA-N	503.540	4.366	5	40	KIBB	
CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)NC(=S)N1	97981661	MXHVPFQYPLKPTP-HXUWFJFHSA-N	527.653	4.007	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N21	247318658	LFDJABJOWZRAMW-XQUALCHDSA-N	514.925	4.277	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	260933081	BJXPZKDLDHJHRF-GDLZYMKVSA-N	622.744	4.377	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)c(=O)n32)cc1OCC	408942821	LJDAFLDARVOSMY-VXRCAMJYSA-N	589.626	4.292	5	40	KIBB	
CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O	409015960	SYHJGEAAAJQEMU-NJDFMEINSA-N	517.472	4.292	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409095598	HZIBJFDQYBQSSV-ASSGYOTOSA-N	576.078	4.456	5	40	KIBB	
CN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O	409195495	VTCUWRHYRCIANE-OVCLIPMQSA-N	511.126	4.221	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)o1	409399139	IAAMGHUBAJIGCG-ZDLGFXPLSA-N	556.325	4.409	5	40	KIBB	
O=C(CNC(=O)c1ccccc1)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	12599609	ZYDRJRRWRYRYLG-OAQYLSRUSA-N	512.316	4.010	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12	101520436	UEGVIOWJDSMQJJ-YCAMKHIRSA-N	559.376	4.386	5	40	KIBB	
COc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)c([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)cc1	103923376	QXBJMINUKGUESN-VPBXCIAMSA-N	544.951	4.411	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	224777568	IGZBIJSLHLTGFC-NDEPHWFRSA-N	608.717	4.068	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225367729	JRXAKYDQFMCEFX-HHHXNRCGSA-N	582.679	4.132	5	40	KIBB	
COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1NS(C)(=O)=O	225488053	PWMXYSQVWBEGFJ-LOSJGSFVSA-N	564.649	4.338	5	40	KIBB	
COC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	408919079	SKDRRDUCAGRQJF-RQZCQDPDSA-N	507.318	4.146	5	40	KIBB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)c1	409094830	FZSFFNGHPXWUTG-QARYAGPDSA-N	633.708	4.053	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O	409377455	IGNOUMZCCYUTKO-NHCUHLMSSA-N	577.329	4.385	5	40	KIBB	
Cc1cc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)ccc1Br	20239045	HYTGRXGVKWHLNL-UHFFFAOYSA-N	504.362	4.500	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC	103781380	FUPVYDWIAJCSDN-LXYLXTGBSA-N	543.576	4.383	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	106708962	KGUFUHFQWDLZCI-HMAPJEAMSA-N	533.518	4.498	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	408688922	XFWJBKDPWOESCC-QBIMZIAESA-N	500.895	4.135	5	40	KIBB	
Cn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	409344192	JFEKTGYGLXICBG-UHFFFAOYSA-N	529.793	4.344	5	40	KIBB	
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)CC2	1568898	CRXFDHISRJTSDH-HXUWFJFHSA-N	506.511	4.074	5	40	KIBB	
O=C(Nc1cccc(C(=O)O)c1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1	2117265	GPANMFCINCCRDV-JAIQZWGSSA-N	510.300	4.465	5	40	KIBB	
CCOC(=O)CN(C(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Br)cc1	6546371	XRECQRIUNNEOKC-UHFFFAOYSA-N	521.349	4.096	5	40	KIBB	
C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1	12546626	BRTMUCBFSAUUOG-OWCLPIDISA-N	523.995	4.099	5	40	KIBB	
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	14275400	FTBYBJMOJCTWBK-UHFFFAOYSA-N	502.556	4.102	5	40	KIBB	
CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl	22248217	AXGYEFSGNAOSPM-JOCHJYFZSA-N	517.991	4.484	5	40	KIBB	
O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5cc([N+](=O)[O-])ccc5OCc5ccccc5Cl)[C@H]34)[C@@H]2C1=O	150665949	KVEXQSMVCLEQPB-BNHNIUTPSA-N	628.084	4.135	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222812695	XHSASLQMLCWXIG-XMMPIXPASA-N	593.489	4.054	5	40	KIBB	
CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223836024	QBKYFBGRAZZESS-NRFANRHFSA-N	603.525	4.400	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224683838	GQQJRCLOUSNGHI-HSZRJFAPSA-N	596.706	4.359	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565261	JFDALJTYOGSJGL-DPQOWFAMSA-N	508.918	4.349	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	96297356	LAWHJOWCNVZMAM-ZLNRFVROSA-N	509.902	4.317	5	40	KIBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc(I)cc1C(=O)O	100008306	GYOWNMSPJRAHRK-QHHAFSJGSA-N	531.715	4.077	5	40	KIBB	
COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nc4ccccc4s3)n2-c2ccc([N+](=O)[O-])cc2)cc1	100816838	HROKDPWTBGMSEY-UHFFFAOYSA-N	589.659	4.384	5	40	KIBB	
O=c1/c(=C\c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1	100958364	PTBVCQORAWLJQS-JGTYQCAFSA-N	560.975	4.494	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O	104121048	OPHQUYPJAKIGPB-NGSHPTGOSA-N	524.489	4.210	5	40	KIBB	
Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112240251	XCNXGMRQWDJKDC-UHFFFAOYSA-N	552.016	4.254	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225504261	MDOMHDXQGKIWQH-HHHXNRCGSA-N	614.696	4.065	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@@H](C(=O)c3ccc(Cl)cc3)[C@@H]2C1=O	248123916	SYGWZMRGVYPKEI-OLKYXYMISA-N	514.925	4.318	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1OC	409095434	HNXIHEINSQCJCE-ABBNRAPFSA-N	572.643	4.280	5	40	KIBB	
Cn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	409358093	KGFYPQHAXBGGJT-RMKNXTFCSA-N	521.386	4.091	5	40	KIBB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCCCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)[C@H]21	604404960	KIPKWIWDFXMOOX-ICYRDHFCSA-N	641.681	4.095	5	40	KIBB	biogenic
CCCn1/c(=N\C(=O)c2ccccc2Br)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	2422533	NALQTWXEVUOFDW-SLMZUGIISA-N	523.387	4.048	5	40	KIBB	
COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	26964423	ZRVRGPWDGRCVTK-QHCPKHFHSA-N	503.540	4.271	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c2=O)=N1	104677493	VQQWNEYCWUBSIZ-IGSWSUAKSA-N	580.619	4.224	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cc(Br)cc(Br)c1OC	105305485	JQUQPZULEGJDAX-UHFFFAOYSA-N	519.171	4.264	5	40	KIBB	
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccccc1Br	106726656	MTULLLZHPPPZOJ-UNOMPAQXSA-N	504.362	4.430	5	40	KIBB	
CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223925941	OLQCNTBDHJNNSU-NRFANRHFSA-N	603.525	4.400	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225138674	ZFCNNAXZBDBMQN-MHZLTWQESA-N	566.680	4.432	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225428778	RRLBAYGSRKBITO-MHZLTWQESA-N	566.680	4.166	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1C=Cc3ccccc3[C@@H]21	248133451	YDJOMMZUXPHZHJ-FQUZAXHOSA-N	524.489	4.210	5	40	KIBB	
CN1C[C@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408568283	SXMNTYZNVNEIIT-HFRGRHLUSA-N	553.369	4.458	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1cccc(OC)c1	408832252	SJKYJSGTZOIYQO-LMSRTUJASA-N	559.600	4.284	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc([N+](=O)[O-])cc4)c([N+](=O)[O-])c3)C2=O)o1	409402152	VPXSODFMNVFWAX-NVMNQCDNSA-N	601.322	4.317	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cc(OC)cc(OC)c1	100820904	BUYIHHQLSTWTMN-ZXPTYKNPSA-N	530.581	4.089	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1I	112237613	XDMCHNBMQDZHBG-UHFFFAOYSA-N	564.327	4.055	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224189156	HWOBOTKCHQGLPR-SANMLTNESA-N	552.653	4.042	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@@H]4CC(=O)N(c5ccc(C)c([N+](=O)[O-])c5)C4)cc3C)C(=O)[C@@H]2C1	408673518	XEUFKXILMSIVDQ-BVYCBKJFSA-N	517.538	4.016	5	40	KIBB	
COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1	12563047	QSLPNXKAJYTPFX-UHFFFAOYSA-N	506.334	4.419	5	40	KIBB	
O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1	103086035	AIVMRGCJWDESHE-UHFFFAOYSA-N	564.649	4.358	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cccc(Br)c1	105303703	XEBDMLXTJCHNEV-UHFFFAOYSA-N	532.464	4.185	5	40	KIBB	
Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc([N+](=O)[O-])c(N5CCOCC5)c4)CC3)o2)cc1C	105895490	CWMHNHMCARWWPC-UHFFFAOYSA-N	549.653	4.145	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1	163745513	SGKCNPPCEADJLS-ZRELAVNMSA-N	633.464	4.140	5	40	KIBB	
COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OC)c([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1	197745621	XMUFSJKAKUYWNU-BIWBSIMWSA-N	525.586	4.244	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224139684	NDUVSFCCOYBTFJ-NDEPHWFRSA-N	580.707	4.144	5	40	KIBB	
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])cc(Br)c4O)c(=O)n32)c1	408765919	BVOHCHAKMSAAPV-MFUBYVTQSA-N	621.469	4.259	5	40	KIBB	
NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCc2cc(=O)n4cc(Cl)ccc4n2)n2c4ccccc4nc32)CC1	2970654	WCDBQKCWEQBQIM-UHFFFAOYSA-N	598.088	4.327	5	40	KIBB	
CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCN(Cc5ccccc5)CC4)c3)CC2)cc1	16691501	AUUXQIBLGSRVOR-UHFFFAOYSA-N	529.641	4.278	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222908347	IQXCJYVTMXKTTC-HHHXNRCGSA-N	566.680	4.165	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223527045	NLBOBLJRROYIRW-HXUWFJFHSA-N	603.097	4.314	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225100987	JCBITZFJMZHXNH-DHIUTWEWSA-N	566.680	4.431	5	40	KIBB	
O=C(COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1)c1ccc(Br)cc1	408640288	IPINGLOYVMPMRW-GOSISDBHSA-N	566.364	4.389	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733923	RVRBLAOUKLHXJG-PLQXQRLBSA-N	574.571	4.183	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	409081865	LFSUISMTTPTZMU-WXXWBPKISA-N	697.358	4.344	5	40	KIBB	
CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3OC)C2=O)ccc1Cl	409170752	XPXNWVKRODJQTB-VXLYETTFSA-N	533.946	4.499	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OC(C)(C)C)c([N+](=O)[O-])c3)C2=O)o1	409400008	NBSAIJHRQHMCIF-ZSOIEALJSA-N	522.308	4.007	5	40	KIBB	
O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)c2)CC1	55219824	QYNVUITVJCIQKX-UHFFFAOYSA-N	503.578	4.019	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	138728471	XFWJBKDPWOESCC-MZMPZRCHSA-N	500.895	4.135	5	40	KIBB	
Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2)cccc1[N+](=O)[O-]	11852249	MNWJQBUAVPEDOS-UHFFFAOYSA-N	528.594	4.095	5	40	KIBB	
COc1ccc(CNC(=O)COc2c(I)cc(Cl)c3cccnc23)cc1[N+](=O)[O-]	102425248	ZPRRWHDJUGXXEC-UHFFFAOYSA-N	527.702	4.105	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F	408570077	YPFXCJSPQKLVJQ-HSWHJCFASA-N	503.530	4.468	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc4c(c3)OCO4)c2=O)=N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408730018	DFJGAGBHIBRQOW-HWMKKPCCSA-N	629.647	4.132	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408844555	KESKNDXNWAGQEX-GJFKPFFXSA-N	682.496	4.491	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OCc5ccccc5)cc4[N+](=O)[O-])c(=O)n32)cc1OCC	408932029	AXFKQSPYGXWIHK-JNNIQXQOSA-N	645.690	4.311	5	40	KIBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN21	1304453	JNIHNHHTMVBUCU-LAJGZZDBSA-N	564.554	4.236	5	40	KIBB	
O=C(COC(=O)c1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1)c1ccc([N+](=O)[O-])cc1	4113444	CAIVARPXBZXGBM-UHFFFAOYSA-N	543.444	4.131	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	6545171	ZHKHYCCEVOIRRU-MFCBUNOESA-N	616.608	4.416	5	40	KIBB	
COCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)n2Cc1ccccc1	8684905	BFAGKAYIRHYAIB-UHFFFAOYSA-N	521.917	4.070	5	40	KIBB	
O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCN(Cc2ccccc2)CC1	101501479	SHOFSAQGNYHCBC-UHFFFAOYSA-N	530.636	4.259	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2cc(NC(=O)COc3ccccc3[N+](=O)[O-])ccc2N2CCCCC2)cc1	103050175	WFHJVWSLKGOZRK-UHFFFAOYSA-N	540.598	4.412	5	40	KIBB	
Cc1c(C(=O)OCC(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)cccc1[N+](=O)[O-]	103100598	KQQFEQDRKNTEIR-UHFFFAOYSA-N	517.086	4.132	5	40	KIBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5ccccc5N4[C@H](C(=O)Nc4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)c(C)c1	103873284	DGPYGWKOWBDUQU-SSUZURRFSA-N	508.534	4.240	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(I)cc1	108313081	XGANUVVGKRMJCY-UHFFFAOYSA-N	579.464	4.027	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	163670863	OPOASWSEWFEMQN-FJNIOPPGSA-N	645.690	4.311	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	163671272	TZXDIFUYITZRCR-FCVOFCDTSA-N	676.660	4.433	5	40	KIBB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224059184	RJIXMJJRYPYYDA-FQEVSTJZSA-N	570.643	4.261	5	40	KIBB	
COc1ccc(CCN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	2152123	RWOZBOIYDAWRQA-OUTSHDOLSA-N	540.576	4.021	5	40	KIBB	biogenic
Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1C	6194951	RHKSYPPAJMWRLL-HHHXNRCGSA-N	542.644	4.456	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCCCOC(C)C)cc3c3ccnc2c31	8792195	CDNUTYUFOUJTAS-KRWDZBQOSA-N	517.582	4.308	5	40	KIBB	biogenic
Cc1cc2nn(-c3ccccc3)nc2cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	8833168	NFCVWUTXMGZLNE-UHFFFAOYSA-N	501.572	4.364	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21	9088430	OFSSHTWKXANFPL-KIHHCIJBSA-N	514.925	4.277	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1	13677650	GKEBOWHRLMBABB-CYBMUJFWSA-N	502.376	4.091	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCc5ccc([N+](=O)[O-])cc5)c(OC)c4)c(=O)n32)cc1OCC	408932032	AXRQIQQUDXZJMY-SXSMZTLPSA-N	645.690	4.311	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409141483	IBVNKUJQFFBWRN-QGMBQPNBSA-N	537.344	4.456	5	40	KIBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCc1ccc(Cl)cc1	20451988	DXRGSJJXUROTPZ-UHFFFAOYSA-N	520.032	4.493	5	40	KIBB	
O=C1C[C@H](Sc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(N2C(=O)C[C@H](Sc3ccc([N+](=O)[O-])cc3)C2=O)c1	100079701	LKKATPRHLATMJZ-VXKWHMMOSA-N	578.584	4.351	5	40	KIBB	
COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1Br	108165489	QDWASPUSCGMJKR-UHFFFAOYSA-N	562.490	4.193	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	163653075	IDWGHJSGYZAVED-YRSDHNRQSA-N	646.634	4.424	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733385	HVUFDAMOKIWOQY-ORVZPOCUSA-N	589.626	4.292	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)cc1	409098893	MOGMJYVJUBQQOB-SJJVXOANSA-N	617.709	4.435	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1	409100177	SVGXYDMOBFYIBP-BIWBSIMWSA-N	647.735	4.445	5	40	KIBB	
COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1	409181706	FDZPVRNRNHOSIO-UHFFFAOYSA-N	511.830	4.323	5	40	KIBB	
Cc1ccc(CNC(=O)CCCCCn2c(=O)c3sccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1	20151581	DZULMIILBUDAAB-UHFFFAOYSA-N	520.611	4.366	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl	103629825	DHQXIJYXVTXULT-FSRJSHLRSA-N	571.977	4.371	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223660405	SHLGXSPQMZISCC-RUZDIDTESA-N	607.516	4.444	5	40	KIBB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O	409108928	ZOWONYFSBNGDRX-NNLQFVHNSA-N	568.345	4.376	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	2058606	QANTZUBOBNWZKL-JZVSFUAJSA-N	518.378	4.013	5	40	KIBB	
O=C(OCc1ccc(Br)cc1)c1ccccc1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	15981630	XOOBLNBBNPXHRK-UHFFFAOYSA-N	507.318	4.221	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	21578414	XQWBBQSGZKMORX-UHFFFAOYSA-N	514.991	4.320	5	40	KIBB	
O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22827624	RYFYSNUTILJQJZ-UHFFFAOYSA-N	503.993	4.335	5	40	KIBB	
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1Br	102766646	SITBJMVEILNJBS-BHIFYINESA-N	524.327	4.417	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223247702	SXXHYSXTXBDVMP-HZPDHXFCSA-N	522.396	4.077	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@H]1c1cccs1	408727941	ZZISHIPIDCBTLH-XXMKCSCWSA-N	561.641	4.347	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408734292	WKERQBRMIZWOFP-YOURIZNBSA-N	550.980	4.015	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OCC)cc1	408975786	NMKZFELAOZWBBW-SJJVXOANSA-N	559.600	4.365	5	40	KIBB	
CCOC(=O)C1=C(C)N=C(SCc2ccc([N+](=O)[O-])cc2)N[C@@H]1c1cc(OC)c(OC)c(OC)c1	408990114	MOQVRUIDPNQUIU-OAQYLSRUSA-N	501.561	4.391	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409117266	OACJOPPEHIHUJQ-ZNQKWNQWSA-N	605.898	4.133	5	40	KIBB	
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21	35852009	NGFOLCMPKJGNRL-UXBLOQAESA-N	522.561	4.226	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1	222755200	BPVGNLHRXHWXDA-QFIPXVFZSA-N	566.680	4.431	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222768937	RRGBIZYQWGRUDW-DEOSSOPVSA-N	623.515	4.062	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224391032	FEPOKMPSSCJHDF-AREMUKBSSA-N	631.549	4.290	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225054066	GLLSRENPZMLDMA-HSZRJFAPSA-N	596.706	4.093	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F	408570080	YPFXCJSPQKLVJQ-RBYFDUNASA-N	503.530	4.468	5	40	KIBB	
COc1cc(OC)cc(-c2nc(S/C(=C\c3cc([N+](=O)[O-])cc(Br)c3O)C(=O)O)n[nH]2)c1	408635071	YMVSLXXFYCMJET-UUASQNMZSA-N	523.321	4.083	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc([N+](=O)[O-])c1	408644799	RVLOCLPKALEDGM-UHFFFAOYSA-N	543.275	4.346	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408689286	YBXYDNKNDVNSCO-UAOJZALGSA-N	500.349	4.336	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccccc1N1CCOCC1	100365307	JVYAMJLUFDXXTE-VXLYETTFSA-N	537.381	4.413	5	40	KIBB	
CCn1c(CNC(=O)c2ccccc2Br)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	106200147	XEJPCSFBOIESBN-UHFFFAOYSA-N	553.826	4.283	5	40	KIBB	
CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c(=O)n1CC(=O)Nc1ccc(F)c(Cl)c1	150624668	MCWYZKQTXRMPJR-CWWIPNNHSA-N	628.107	4.415	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O	225217368	JXPKPPHYHFYINT-IBGZPJMESA-N	609.543	4.298	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)cc2)c1	408638439	COGRDTPGNACCME-PIVNMMCNSA-N	599.596	4.484	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)cc1	409063500	LWEPGXNDNAGTJX-CWPZDHDOSA-N	642.690	4.041	5	40	KIBB	
CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc(Br)cc2)n1C	409134919	OUZBYOHKAORNON-IBGZPJMESA-N	547.435	4.344	5	40	KIBB	
CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O	409243783	UCFWSISNMKHCRC-GZTJUZNOSA-N	507.284	4.081	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1NCCOc1ccccc1	8932128	JTQUIYBOLVQMEM-UHFFFAOYSA-N	517.007	4.250	5	40	KIBB	
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC	102883704	FAQNPEIKAMSWSM-VABKMULXSA-N	554.899	4.225	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224884123	OUIZXBAEMAZUFN-MUUNZHRXSA-N	596.706	4.378	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)cc1	409094559	FRSJJZDCWSGOFL-XXMKCSCWSA-N	603.682	4.045	5	40	KIBB	
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21	35852011	NGFOLCMPKJGNRL-MYZUJYNPSA-N	522.561	4.226	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(CC)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	108949040	RLRSAAIDZDXFLT-KMBIYUNPSA-N	544.633	4.298	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=C[C@@H](C)[C@H]4C3=O)cc2)c1	408663295	YJCZGFLVIQEFQT-WHPKCEERSA-N	597.580	4.260	5	40	KIBB	
CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1	224821426	MUZWYWSJZZUBDI-UHFFFAOYSA-N	503.964	4.023	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260981669	BFUCUWHGPBIOSK-FIPFOOKPSA-N	580.707	4.224	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408657443	UEBBGOHKEBTCQL-DOQQYFFYSA-N	567.554	4.085	5	40	KIBB	
COc1cc(CN(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)C2CCCCC2)ccc1OCC(N)=O	22824992	PREYAQPJWDRTCH-FMIVXFBMSA-N	501.967	4.496	5	40	KIBB	
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1)Nc1ccc(Cl)cc1[N+](=O)[O-]	103018547	XUOHOSPVMKXHDQ-UHFFFAOYSA-N	538.365	4.176	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225100876	WISGSJAAFKASQS-DHIUTWEWSA-N	566.680	4.431	5	40	KIBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408640634	BFLHLUCEFUKVTB-GOSISDBHSA-N	522.897	4.246	5	40	KIBB	
O=C(c1cc(Br)cc(Br)c1O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	101055520	ALFLFEDOMIGLBO-UHFFFAOYSA-N	536.180	4.336	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	107494136	LSHVXUIQMXEPKS-FQKMCRJQSA-N	589.626	4.292	5	40	KIBB	
Cc1c(N(Cc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	224862775	VCBPKGXTQCXNDP-UHFFFAOYSA-N	517.991	4.332	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409177271	GIMOZSQCXNVSAT-KEQCBNTKSA-N	588.598	4.492	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1	101177039	BVLLOENHBZHWPF-HCXWHYMBSA-N	528.609	4.044	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	408831780	PIAGQBLMKNGXCW-QARYAGPDSA-N	593.589	4.123	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	408990158	MZJMXBXRCKJDEB-OAQYLSRUSA-N	565.389	4.036	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409140450	FGNQJOCEHPQZEN-OAQYLSRUSA-N	541.590	4.281	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(Oc4ccc([N+](=O)[O-])cn4)c(I)c3)C2=O)o1	409397916	AABLJDIXLKSVIA-PXNMLYILSA-N	716.182	4.464	5	40	KIBB	
O=c1/c(=C/c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1	1815388	PTBVCQORAWLJQS-MFUBYVTQSA-N	560.975	4.494	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	8450540	WCAXJQCCUWVFOI-LFVJCYFKSA-N	575.603	4.176	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc(OC)cc1	100820894	DTZIQSYMCVBGES-JVCXMKTPSA-N	500.555	4.081	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)C(c1ccc(Br)cc1)=NN2c1ccccc1	101070636	GPEIUVFPXJHHIO-UNMCSNQZSA-N	505.328	4.448	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2ccc(OC)c(OC)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	101232021	PVQQGCBNKBOZHY-ZXPTYKNPSA-N	532.597	4.083	5	40	KIBB	
CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21	102356471	FWPXKVRXLIXKFY-GFCCVEGCSA-N	533.328	4.192	5	40	KIBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN12	102888036	JNIHNHHTMVBUCU-WXIAYYLYSA-N	564.554	4.236	5	40	KIBB	
CC[C@@H](NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2	223118547	HVJLZXCCYLZWKF-FGZHOGPDSA-N	503.621	4.294	5	40	KIBB	
O=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1	9295664	WITCYGZDCAYPJU-UHFFFAOYSA-N	509.037	4.196	5	40	KIBB	
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)scc12	11757990	YCJPTNSHVFEFTQ-UHFFFAOYSA-N	528.930	4.446	5	40	KIBB	
O=C(Oc1ccc(Cl)c(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100348606	VHJXPZZVMCZDGC-UHFFFAOYSA-N	532.761	4.411	5	40	KIBB	
CN(C)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@@H]2C[C@@H]3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)cc1	101175586	YZYXUQGPUKSYBA-WRDRWKBOSA-N	548.646	4.089	5	40	KIBB	
CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@](C)(CNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	103245962	YMEPFKDAUUAOLX-LFPIHBKWSA-N	558.504	4.064	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222420843	NKFPVCIITZCCMI-MHZLTWQESA-N	566.680	4.431	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3Oc3ccc([N+](=O)[O-])cn3)C2=O)o1	409399108	FUTSVSILINGXFZ-PXNMLYILSA-N	573.312	4.026	5	40	KIBB	
O=C(c1cccc(Br)c1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	8915969	IAKIYSZFLDEAAI-UHFFFAOYSA-N	503.231	4.247	5	40	KIBB	
COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)o2)cc1	9062241	GVLORBFBJUMORQ-UHFFFAOYSA-N	504.415	4.066	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3[N+](=O)[O-])CC2)cc1	100320886	RGPQNQABXNNCID-UHFFFAOYSA-N	538.670	4.113	5	40	KIBB	
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1	103102274	OBBSVFFQYUMGHZ-UHFFFAOYSA-N	578.397	4.352	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	163669872	NJYUECHCYSPMRW-YRSDHNRQSA-N	646.634	4.424	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225501146	BCOZCMWGPSDEOL-LJAQVGFWSA-N	586.670	4.176	5	40	KIBB	
Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	408733075	VRXCNVPJOSKLPM-CEWWTIOHSA-N	538.512	4.462	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=N[C@H]1c1cccc([N+](=O)[O-])c1	408733653	ZDNRVWABDDFUTC-JYWRCUDFSA-N	518.378	4.122	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408830610	NGDGBUUIQKKSGS-SUAMDDGLSA-N	589.626	4.292	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1cccc2ccccc12	409272258	FPNNOQIVOSCGDY-HAHDFKILSA-N	518.551	4.260	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	260769504	HKMZVAXJIYTRMS-QGZVFWFLSA-N	585.510	4.452	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261071521	PVOPDFVYRPCSEQ-LXFBAYGMSA-N	610.733	4.233	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1	408642818	NYUPPQCWRPELLI-MSOLQXFVSA-N	516.337	4.483	5	40	KIBB	
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Br)cc2)cc1	409028095	JZFDJOALYGCQKV-UHFFFAOYSA-N	504.362	4.500	5	40	KIBB	
COc1ccc(OC)c(Nc2nc(Cn3c(C)nc4ccccc4c3=O)nc(Nc3ccc([N+](=O)[O-])cc3)n2)c1	102212382	BQIVVSVNJUDKHC-UHFFFAOYSA-N	540.540	4.351	5	40	KIBB	
CCS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1	102775975	VVJATFFJOLALDY-DEOSSOPVSA-N	528.612	4.205	5	40	KIBB	
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1	102912262	LJQNYGCQFZJHGA-RJGXRXQPSA-N	509.902	4.317	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	150439462	NVAKTFUGKXWZQA-UPWSPCOFSA-N	646.634	4.424	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225506225	PJBOAUKUIMFDDS-MUUNZHRXSA-N	598.697	4.365	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409314198	RXACVGMTQMQJQB-UHFFFAOYSA-N	623.109	4.184	5	40	KIBB	
O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22847683	IESCNCIQMQTOKK-UHFFFAOYSA-N	523.537	4.177	5	40	KIBB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1	100019232	VQSFDLJWTYXTBS-ONNFQVAWSA-N	540.001	4.330	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	102742119	LAWHJOWCNVZMAM-DNVJHFABSA-N	509.902	4.317	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	103629538	PMMUTBNYVOXTDG-GDWJVWIDSA-N	557.950	4.177	5	40	KIBB	
COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN12	104014686	JFFLXPGBKYMXLG-JBXUNAHCSA-N	544.951	4.411	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223344079	NPBVWRGQWMTWGK-NEKDWFFYSA-N	610.733	4.233	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408638321	CFTVNHJTIHKFTA-CLJLJLNGSA-N	567.554	4.395	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1	408650382	MLLSYZQZSAJNCG-WLGONLEPSA-N	581.581	4.394	5	40	KIBB	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1	408682472	GNJUFGPVFXYSKB-DTTIITEWSA-N	539.544	4.320	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409030775	FETWIZOWHAJLJI-IZBTWGKQSA-N	693.516	4.116	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC	409101841	ZCJDTYNINPCZJJ-ABBNRAPFSA-N	572.643	4.280	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409238122	CGOFCXKACSRNHT-CIAFOILYSA-N	566.954	4.376	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	105496827	CKFVZQGWENXPHZ-MFCBUNOESA-N	589.626	4.292	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222810417	AAFCIGLSPGBXJR-MHZLTWQESA-N	582.679	4.131	5	40	KIBB	
COc1ccc(N(CC(=O)NCc2cccc(CN3CCCCC3)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224656153	XOBNZXMIQPPHTL-UHFFFAOYSA-N	566.680	4.409	5	40	KIBB	
Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1=O	408652505	OVEHJDVNMHCRPP-NRFANRHFSA-N	516.506	4.210	5	40	KIBB	
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)cc1[N+](=O)[O-]	13102216	GUDKOTYIEYAWCG-HXUWFJFHSA-N	512.565	4.035	5	40	KIBB	
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1	103085806	DQHWBVACWLJQCD-UHFFFAOYSA-N	530.942	4.223	5	40	KIBB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222944274	LJCMDDFPCWNQOS-QHCPKHFHSA-N	603.097	4.314	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	223962768	HKMZVAXJIYTRMS-KRWDZBQOSA-N	585.510	4.452	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225300312	JCZNITOOWVUOMO-DLBZAZTESA-N	573.499	4.308	5	40	KIBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408651705	NWFYFZROLVETET-SFHVURJKSA-N	567.348	4.356	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccccc1	408841956	MNAFFHGDFZOKBB-LWUPDDLQSA-N	529.574	4.275	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	409080795	OFXXKKSGFKCCAP-NCBZSOBPSA-N	697.358	4.344	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccccc1OC	409093980	CADKNEYDOCBETD-QTTRZTASSA-N	590.633	4.420	5	40	KIBB	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1	21577725	FPVHDGGQACCZHC-UHFFFAOYSA-N	500.511	4.321	5	40	KIBB	
CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c(C)c3)nn12	105308132	YHHDDLUOJNUPHF-UHFFFAOYSA-N	536.643	4.359	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@@H](C)C(=O)NCC(C)C	224117573	XPBKBTAZGMXCOA-QHCPKHFHSA-N	566.680	4.288	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c2=O)=N1	409033745	LMKQXQRJVCBAOD-XXMKCSCWSA-N	529.574	4.275	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccccc1Cl	103629500	WBNCEOMGGCIUGK-GDWJVWIDSA-N	512.953	4.269	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223096440	QNRATKCZWJXJPO-LEWJYISDSA-N	570.643	4.261	5	40	KIBB	
C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224083678	MEXFPTUQRICBRD-HSZRJFAPSA-N	578.691	4.309	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260980877	NZKJNBPGXXMIQC-CVEARBPZSA-N	589.498	4.008	5	40	KIBB	
Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)cccc1[N+](=O)[O-]	409390898	MDJZCYBAWZCTAC-UHFFFAOYSA-N	501.948	4.326	5	40	KIBB	
CC(=O)N1CCCN(C(=O)CCC(=O)[C@H]2CC(C)(C)[C@@H]2CCc2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)CC1	643587761	LTRGYFJIKDSTFN-BJKOFHAPSA-N	523.634	4.010	5	40	KIBB	
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)scc12	9381600	YPFUWVHPXIZMBR-UHFFFAOYSA-N	512.931	4.367	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	163634391	RRZWPWPLVUZTFF-DQARITGZSA-N	646.634	4.424	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223247881	SXXHYSXTXBDVMP-HOTGVXAUSA-N	522.396	4.077	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223736987	TYBNRMBQILFUKM-JIPXPUAJSA-N	614.696	4.063	5	40	KIBB	
CC(C)OC(=O)c1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1	409133502	UIBVMGVOTOUPBD-JOCHJYFZSA-N	554.629	4.146	5	40	KIBB	
COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc5c(c4)OCCO5)C3=O)o2)c([N+](=O)[O-])c1	409203702	YOJPLWARIFKOLX-WSDLNYQXSA-N	537.506	4.310	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409204383	GHSUGODDGLZRRC-GRSHGNNSSA-N	501.517	4.416	5	40	KIBB	
CCOC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(=O)OC)=NN2c2ccc([N+](=O)[O-])cc2)S1	9076518	FVOVPFULFOMEKS-JOCHJYFZSA-N	500.558	4.294	5	40	KIBB	
O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1	59942108	YLONRWBJAQRCCT-UHFFFAOYSA-N	518.389	4.229	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	163763886	UPBAKRQZLIWRSF-GRXWAMFVSA-N	630.591	4.136	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1	224810065	HNQFLTQTDJZUTI-NDEPHWFRSA-N	580.707	4.142	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	260934442	MJWZQUGQCARZNS-HHHXNRCGSA-N	631.151	4.435	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	105498719	UTVVEBLPGQZEJQ-YNMQQHPQSA-N	585.638	4.294	5	40	KIBB	
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(Br)cc1	106722568	FIKONSBXLXXURC-UNOMPAQXSA-N	504.362	4.430	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224861568	CEQZOYRHXFTLLN-QFIPXVFZSA-N	573.499	4.247	5	40	KIBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cc21	408600091	UGAXCCWPBJLAJM-UHFFFAOYSA-N	527.566	4.035	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408684197	MYWQJIJGJDJMJN-XMCHAPAWSA-N	528.359	4.019	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)c(OCC)cc1Br	409080278	MRWPBFTZWWSLKC-HMEHKCSNSA-N	697.358	4.344	5	40	KIBB	
COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	914348	PJXJJCMKLXTDKS-UHFFFAOYSA-N	507.568	4.453	5	40	KIBB	
CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1	8900312	OZYUYRIUYCWEEC-UHFFFAOYSA-N	502.531	4.125	5	40	KIBB	
O=C(CSc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)Nc1ccc(F)c([N+](=O)[O-])c1	13095867	FBSSHWNKJYJMHZ-UHFFFAOYSA-N	517.608	4.180	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N\C(=O)c1cc(C)cc(C)c1	101152481	RJDSSVKPCHDCCT-MXNGAVTRSA-N	530.625	4.307	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(F)cc1	103783926	QLXYXIXHORUOFN-KLKBWYFJSA-N	589.601	4.000	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	163652855	IQYZIHPWQFHEIM-YRSDHNRQSA-N	646.634	4.424	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	205812002	ULUJIXSJEBNTHT-LPYMAVHISA-N	511.556	4.231	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	225485021	ALWUEHWPAKSPLB-QHCPKHFHSA-N	596.706	4.357	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408683992	MTFYHTSTWUXGMY-XMCHAPAWSA-N	500.349	4.336	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	408754733	HQTKBGDINYQUPE-HVUZKSCUSA-N	653.454	4.154	5	40	KIBB	
COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n21	408944537	MTYWCVARBGLMRB-YMAYPHAPSA-N	667.332	4.334	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409104547	FRODENFAVNHWEA-ASZHOJRSSA-N	663.734	4.069	5	40	KIBB	
CCCCn1/c(=N\C(=O)Cc2cccc3ccccc23)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	103628253	IQGGBHWSCGMKER-BLCKFSMSSA-N	508.578	4.449	5	40	KIBB	
COc1ccc(Cl)cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	109032767	ZITBJQKOJNTDDA-UHFFFAOYSA-N	518.039	4.084	5	40	KIBB	
COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc(OC)c([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1	197745603	XMUFSJKAKUYWNU-ZGOFBEGVSA-N	525.586	4.244	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260868222	DAHCPRGHGJQTJW-GOTSBHOMSA-N	566.680	4.431	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1cccs1	408791502	ZHOYCCITDRESCP-PLQXQRLBSA-N	622.637	4.477	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)o1	409194405	BKKADWMEAXMHGR-LFVJCYFKSA-N	548.577	4.249	5	40	KIBB	
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1ccc(I)cc1	409343858	DQJUHAMQWLAHKI-WEVVVXLNSA-N	521.267	4.159	5	40	KIBB	
COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	1315757	JKHDSYGWXDPJOK-HFMPRLQTSA-N	539.928	4.325	5	40	KIBB	
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1	13128781	PQIOMLNUBRDWCY-UHFFFAOYSA-N	500.602	4.322	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc(C)c1C	100766399	XUBDRKSUSLFYIY-NJYVYQBISA-N	507.524	4.111	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222765020	VPAWVBWIDGXFAO-DEOSSOPVSA-N	593.489	4.054	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223740345	UIFFPTGXGHVDIK-SKCUWOTOSA-N	598.697	4.363	5	40	KIBB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1	224975004	JYFGWQKLHBODLL-NDEPHWFRSA-N	596.681	4.199	5	40	KIBB	
O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1	408669687	RUJMRQYWGOGMRW-CQSZACIVSA-N	505.870	4.007	5	40	KIBB	
CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C	409161072	VYJYXIPOZIJVSW-UHFFFAOYSA-N	526.619	4.064	5	40	KIBB	
O=C(Nc1ccc(Br)cc1F)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O	828599	XQXWZFFQIWWMER-FQEVSTJZSA-N	512.291	4.342	5	40	KIBB	
CCOCCCn1/c(=N\C(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	102811302	AVJLHGZFSLXIAC-BNIPGBBVSA-N	606.676	4.190	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1Br	102919878	LIXTZJSWKNQWKG-XAYXJRQQSA-N	523.387	4.219	5	40	KIBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN21	103547050	JNIHNHHTMVBUCU-BPXGVECKSA-N	564.554	4.236	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	163669751	NJYUECHCYSPMRW-DQARITGZSA-N	646.634	4.424	5	40	KIBB	
CCc1ccccc1N1C[C@@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O	408638420	CDQKLEHJUUQUTH-SFHVURJKSA-N	513.506	4.225	5	40	KIBB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1[N+](=O)[O-]	408641327	CMKHZSMJXBHASG-GOSISDBHSA-N	519.466	4.383	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408641356	KATSPANIBDXBHQ-SXOMAYOGSA-N	617.636	4.252	5	40	KIBB	
CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	408674280	YYGFIXIVKDHWSZ-UHFFFAOYSA-N	500.504	4.095	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409050245	SVPHJOITQUSPRQ-PEPUGYCWSA-N	687.727	4.236	5	40	KIBB	
CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)ccc1Cl	409167909	KEHYKVPEFIUYQE-XKZIYDEJSA-N	589.026	4.327	5	40	KIBB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cc2)n1	702219	GPKLOAXDUZKRDK-UHFFFAOYSA-N	500.536	4.406	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	1825241	VEDYTPIRSWGPLU-IGSWSUAKSA-N	533.537	4.106	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc([N+](=O)[O-])c1O	139633602	DYOBHMPSMBIRPW-RQLGBQGVSA-N	517.588	4.003	5	40	KIBB	
COCCN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409135681	QEYMQBIQHVPXHS-WOJGMQOQSA-N	570.361	4.470	5	40	KIBB	
O=C1COc2ccc(C(=O)COC(=O)/C=C/c3cn(-c4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)cc2N1	3233434	SJDKZAUCOFLRDF-ZRDIBKRKSA-N	524.489	4.218	5	40	KIBB	
Cc1c(-c2cc(C(F)(F)F)nc3sc4c(ncn5nc(Cn6nnc(-c7ccccc7)n6)nc45)c23)cnn1C	98046276	RNMJPRPGLGBSBK-UHFFFAOYSA-N	547.530	4.317	5	40	KIBB	
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@@H]3[C@@H]3C=Cc4ccccc4N32)cc1	101589715	CFIFQVFEOMZXOE-YAOOYPAMSA-N	537.528	4.101	5	40	KIBB	
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	102740576	FYPNFKXDECGYAK-YPAWHYETSA-N	540.326	4.123	5	40	KIBB	
C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224083758	DFGFTRVAFHXFAB-QHCPKHFHSA-N	578.691	4.309	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	260999218	RKKBEGSJVIZIDZ-YADHBBJMSA-N	582.679	4.131	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	408629755	HJUBKCGCUZMWMC-UHFFFAOYSA-N	548.543	4.158	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1	408689984	SXHQCNPGPAHBGY-KAVKEEAGSA-N	539.544	4.320	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408948992	RUUBECXJBKQGTD-VVNKCDPRSA-N	596.017	4.247	5	40	KIBB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(O)n4)c(=O)n32)c1	409098957	ROSCPJLYJIZNMW-GGARDQMFSA-N	663.734	4.067	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCC(=O)Nc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)o1	409398297	CRKWLXZTPXFDGA-GRSHGNNSSA-N	613.377	4.156	5	40	KIBB	
CCOCCCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	11690861	RPBDQCKAZYYKMB-HMZBKAONSA-N	530.625	4.291	5	40	KIBB	
CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222649495	VDYNRWNHKHVFPL-HHHXNRCGSA-N	601.125	4.427	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	222693768	ZPGIFNZAFASTAS-MHZLTWQESA-N	631.151	4.435	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2cc(OC)c(Cl)cc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408618469	JNWDOVNFOZHZTR-UHFFFAOYSA-N	549.989	4.416	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408643945	GPYSASIFBVRKAQ-JWQCQUIFSA-N	600.540	4.138	5	40	KIBB	
COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	101222264	JKHDSYGWXDPJOK-DPLHUUCSSA-N	539.928	4.325	5	40	KIBB	
CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409129588	GUVKPQLDSJZSPZ-VGOFRKELSA-N	510.620	4.303	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@@H]3C2=O)cc1	97955772	OLGQGZQSNYLOIX-GSDHBNRESA-N	533.537	4.452	5	40	KIBB	
COc1ccccc1N1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)ccc2[N+](=O)[O-])CC1	100136202	PKOCYPCMVRVOHQ-UHFFFAOYSA-N	616.538	4.203	5	40	KIBB	
O=C(CNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	105319726	WNZXJCUTHCCARP-NDEPHWFRSA-N	563.522	4.293	5	40	KIBB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@@H]([C@@H]4C(=O)N(c5ccc([N+](=O)[O-])cc5)C(=O)[C@H]43)[C@H]12	169683413	SASMKRFOAOLSTI-XTAXBSOOSA-N	535.603	4.031	5	40	KIBB	
COc1cccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	205709061	LQNHWZBHKGTVSS-GIJQJNRQSA-N	517.472	4.292	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408732880	AESJKTJXOODGRQ-DKOMQPSQSA-N	565.991	4.326	5	40	KIBB	
CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(Br)cc([N+](=O)[O-])c4O)c(=O)n32)cc1	408925687	SGTSRHFBGQKMLL-LYFUXTGPSA-N	604.504	4.285	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OCC)cc1Br	409084988	NNNYSNMFHRDZBN-QVFHAIOXSA-N	744.358	4.187	5	40	KIBB	
Cc1cccc(C(=O)NCc2nn(CC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)c(=S)n2C)c1	409162753	HHSSLAZMVFNKJQ-UHFFFAOYSA-N	537.627	4.168	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)c(Cl)c1	409202114	ZSQAKZJKBGQIGD-GIDUJCDVSA-N	512.725	4.391	5	40	KIBB	
O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59331449	YIDCLURFRPYZFV-UHFFFAOYSA-N	519.539	4.072	5	40	KIBB	
O=C(Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1cccc(Cl)c1	112231912	CDXMJBVJXBKNPZ-UHFFFAOYSA-N	540.001	4.464	5	40	KIBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc(Br)s1	3459829	LZKDCNQINGYVDW-ZDUSSCGKSA-N	535.825	4.350	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-]	8896522	CXRRTOYEYVTOKJ-CYBMUJFWSA-N	504.634	4.432	5	40	KIBB	
O=C(NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	14274356	NCLXMHDDHOGOIS-UHFFFAOYSA-N	501.572	4.446	5	40	KIBB	
O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59331653	AWOUDNNHSNLQBT-UHFFFAOYSA-N	523.537	4.177	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1cc(C)cc(C)c1	103629382	UBOFFGTYCWDUKR-MXNGAVTRSA-N	506.562	4.232	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223290002	LCRSRCLNIUBINN-QDPGVEIFSA-N	580.707	4.224	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224947392	RSDINGUJKBQUPU-MUUNZHRXSA-N	580.707	4.412	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OCC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409145660	OVPVJBROUFPHJS-YOKWNPFVSA-N	663.490	4.027	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(Br)cc2F)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	112252846	DZYJYFIPJPMMDJ-UHFFFAOYSA-N	568.377	4.348	5	40	KIBB	
CC[C@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224476864	RCBZFUKBFVZDCK-MRXNPFEDSA-N	509.997	4.258	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	409401428	YLTMLPJQKUMGFM-NDENLUEZSA-N	521.482	4.045	5	40	KIBB	
O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1	27016439	GRAQXJNFMHGUBU-HXUWFJFHSA-N	509.316	4.354	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	101670920	UUJWSXITQVVYAS-DXBVXKBHSA-N	563.563	4.461	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	217976893	PMOFEUADORFXTM-RZUBCFFCSA-N	585.323	4.031	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c2=O)=N1	409099704	SWYZNWQRUGXDIT-WWFXOLRUSA-N	647.735	4.451	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@@H]1c1cc(Br)ccc1OC	409103441	YKMBRNILGRBSKX-GOWBIRFASA-N	698.577	4.433	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C	409138022	YUKRWIDEENLYLU-OAQYLSRUSA-N	512.592	4.078	5	40	KIBB	
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-]	14277166	KLJRBMAZVGZYDL-UHFFFAOYSA-N	505.600	4.052	5	40	KIBB	
CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@@H]4O[C@@H](CO)[C@@H](OC)[C@@H](O)[C@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O	59365145	JSKFWUPVIZYJMR-PXTWXBBESA-N	669.562	4.300	5	40	KIBB	
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	108582592	JCSSPYGDXLZTGG-UHFFFAOYSA-N	526.512	4.075	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)cc2)cc1	408641116	JSWIDJVDJDALIZ-LNYUQPRGSA-N	619.652	4.332	5	40	KIBB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)c2)C[C@@H](C)O1	25395987	MTMWOMIYBULWGP-HDICACEKSA-N	507.564	4.101	5	40	KIBB	
Cc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c([N+](=O)[O-])cc1C	103097935	LPLPAXHLUIHJHW-UHFFFAOYSA-N	531.974	4.486	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223576647	NUNKBSLNNIAWQF-AREMUKBSSA-N	631.549	4.208	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)cc2)c1	408638437	COGRDTPGNACCME-MERSGSKISA-N	599.596	4.484	5	40	KIBB	
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	408829655	KIWOPAOMKQYCLV-BAPRJRNISA-N	679.798	4.213	5	40	KIBB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4Sc4nc(C)cc(O)n4)c(=O)n32)c1	409098959	ROSCPJLYJIZNMW-NRBGUCFGSA-N	663.734	4.067	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O	409203015	VVKOIQLIWWKWCO-GIDUJCDVSA-N	542.751	4.400	5	40	KIBB	
COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409328410	URRQEVSGRWBWHJ-DAXSKMNVSA-N	519.264	4.225	5	40	KIBB	
O=C1C[C@@H](Sc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(N2C(=O)C[C@@H](Sc3ccc([N+](=O)[O-])cc3)C2=O)c1	100079703	LKKATPRHLATMJZ-FGZHOGPDSA-N	578.584	4.351	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@H]1c1ccc(OC)cc1	100307738	YPLUTGVBWMVEKY-PVPFEYIBSA-N	610.692	4.453	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260873361	FTFJTINWIVDWFD-HSZRJFAPSA-N	596.706	4.297	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408725282	GSKBSWDHPVQPTO-KAEGSSFASA-N	645.690	4.311	5	40	KIBB	
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c1O	408868862	QFWAAZAUCZWEIN-APSNUPSMSA-N	511.434	4.393	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccccc4)o3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1	409078955	FCMWJHAJWCWRAT-VOZFUJEASA-N	547.614	4.451	5	40	KIBB	
COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCN(c5ccccc5)CC4)C3=O)o2)c([N+](=O)[O-])c1	409204713	JOLPOVCQFKEGFQ-LFVJCYFKSA-N	548.577	4.249	5	40	KIBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1cc(=O)oc2cc(C)ccc12	3356163	RDLDPAWELCVFNL-LJQANCHMSA-N	504.948	4.258	5	40	KIBB	
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)c2)C[C@H](C)O1	25395997	MTMWOMIYBULWGP-ROUUACIJSA-N	507.564	4.101	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225477878	VMLHFAIPSQOKFQ-MHZLTWQESA-N	614.696	4.065	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc(Cl)cc1)N1N=Cc3ccccc3[C@@H]21	248123920	SYGWZMRGVYPKEI-UARRHKHWSA-N	514.925	4.318	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260943020	STEPNCQUBXUCQM-LJQANCHMSA-N	523.611	4.473	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409101619	PWYOGYYLGUDFJP-HRIDGTDGSA-N	632.695	4.298	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409178303	KNLHRKSFRBIAPR-KEQCBNTKSA-N	604.597	4.192	5	40	KIBB	
CC(C)[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)c1nc2ccccc2[nH]1	604405115	WYIMPPSRXTWMJR-FUMFMZNESA-N	552.635	4.311	5	40	KIBB	biogenic
CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	35877093	LHMBYHDQQLQZIV-FGMVWKIJSA-N	522.561	4.172	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21	40399477	JNZUVUAARVJPAI-CQSZACIVSA-N	503.302	4.101	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(Br)c1	112233995	JCGDTFKQTCXMDK-UHFFFAOYSA-N	517.327	4.213	5	40	KIBB	
COc1ccc(C(=O)NC(=S)Nc2ccc3nc(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)sc3c2)cc1[N+](=O)[O-]	150403458	HKSCROUXVJFWGK-UHFFFAOYSA-N	641.669	4.384	5	40	KIBB	
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc([N+](=O)[O-])cc(Br)c3O)C(=O)O)o2)c1	408633711	OROPXKXCBDICFF-UUASQNMZSA-N	524.305	4.348	5	40	KIBB	
COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc5c(c4)OCO5)c(C)nc32)cc1	8742658	RUCGNEHCXVMBRR-UHFFFAOYSA-N	505.534	4.437	5	40	KIBB	
CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1	20528949	GXJXOZSVIFCZDZ-UHFFFAOYSA-N	530.025	4.032	5	40	KIBB	
CCCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1	107696682	JXLPFRAXUTWQMA-UHFFFAOYSA-N	511.648	4.211	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	139078563	LVGHKTGIMXZFHK-LSBZLQRGSA-N	528.359	4.019	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260955462	KMLOCYAXFRKGFT-PKTZIBPZSA-N	566.680	4.165	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	261028231	WLMFVAHZKAVMTM-HHHXNRCGSA-N	598.697	4.363	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1	408572176	HEOZRIXIQNQWNA-VMPITWQZSA-N	537.425	4.315	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OCc5ccc([N+](=O)[O-])cc5)c4)c(=O)n32)cc1OCC	408939286	IHOCSCPUPGFZTF-OTKSFMAGSA-N	615.664	4.303	5	40	KIBB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409097233	HWQXMMWEUPISLE-NNLQFVHNSA-N	506.920	4.434	5	40	KIBB	
COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(-c4c(C)n(C)n(-c5ccccc5)c4=O)cnc32)cc1	2319123	PUSFEVKFMHLBJN-UHFFFAOYSA-N	529.560	4.079	5	40	KIBB	
CCC(=O)Oc1c(OC)cc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc1[N+](=O)[O-]	8396437	UOXBYAVTAGSIHQ-QHCPKHFHSA-N	525.543	4.327	5	40	KIBB	
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	19941640	PFOVMAGAQGHLOV-VWLOTQADSA-N	530.633	4.096	5	40	KIBB	
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	19941643	LBFNQSMAQGIVBJ-SANMLTNESA-N	528.617	4.066	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2C=Cc4ccccc4[C@@H]32)sc(C)c1C	101670402	BEEMOXPCOZCOQX-KIHHCIJBSA-N	557.584	4.458	5	40	KIBB	
CC[C@@H](C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260924448	HVJLZXCCYLZWKF-YADHBBJMSA-N	503.621	4.294	5	40	KIBB	
CC(=O)OCOC(=O)c1cc(-c2c3cc(F)c(=O)cc-3oc3cc(OC(C)=O)c(F)cc23)c2ccccn2c1=O	1772820595	XXSSZRGXMKYDTI-UHFFFAOYSA-N	549.438	4.059	5	40	KIBB	
Cc1ccc(S(=O)(=O)NCCC(=O)Oc2ccc3c(=O)c(-c4ccc([N+](=O)[O-])cc4)c(C)oc3c2)cc1	2260528	MPEOXLLJVOPMPR-UHFFFAOYSA-N	522.535	4.259	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)c4cc([N+](=O)[O-])cc5cc([N+](=O)[O-])cc(c45)C3=O)cc2)cc1	3044944	ZJYKGQXTXPLLIW-UHFFFAOYSA-N	548.489	4.266	5	40	KIBB	
CC(C)C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)OCc1ccccc1	13370243	YADKQINMTPWLBG-YTMAHBJJSA-N	505.527	4.233	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(F)cc1	163530736	IBEBEHREHRWWOT-NIQJEMAJSA-N	624.444	4.451	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)ccc1[N+](=O)[O-]	225743627	FVBGCHJWMNYHQC-SANMLTNESA-N	519.598	4.395	5	40	KIBB	
CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCC	408563888	BJIINNSCKXNVPV-AYEZKCMBSA-N	516.392	4.301	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733775	QKLVHDUCEOAJHR-VVNKCDPRSA-N	547.564	4.414	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409164421	IGOZKCRIUAYKGF-VROXFSQNSA-N	627.609	4.083	5	40	KIBB	
COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCc1cccc([N+](=O)[O-])c1	409179263	QTOLPNPLYWVTTL-UHFFFAOYSA-N	511.830	4.323	5	40	KIBB	
COc1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br	1316385	ZVLJIPOFYVHUDN-ZRBLBEILSA-N	538.354	4.413	5	40	KIBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCc1cccc(Cl)c1	14186014	YUTJJBDLMDRHBG-UHFFFAOYSA-N	520.032	4.493	5	40	KIBB	
COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	44803002	UGFJSSXBJAHEMV-UHFFFAOYSA-N	519.963	4.408	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1c(F)cccc1F	101176853	KIEXNMJMIWEOJM-QLTSDVKISA-N	506.509	4.350	5	40	KIBB	
C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@@H](C)C1	108930839	BRTMUCBFSAUUOG-OAGGEKHMSA-N	523.995	4.099	5	40	KIBB	
C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224083628	MEXFPTUQRICBRD-QHCPKHFHSA-N	578.691	4.309	5	40	KIBB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225558432	KQLAPSICQAFDTD-HXUWFJFHSA-N	573.071	4.385	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1	408584578	ROAGCOAHGLQTES-OAQYLSRUSA-N	518.389	4.194	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O	409242073	UITXMCRFOONVHQ-FYJGNVAPSA-N	581.379	4.476	5	40	KIBB	
COC[C@H](C)OC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1cc(I)ccc12	97955266	PHYALAIBTDBNQD-NSHDSACASA-N	528.306	4.086	5	40	KIBB	
COc1ccc([C@H]2C[C@H](CNC(=O)C3CCN(c4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])CC3)ON2C)cc1	100915434	GEOKJAUUTGCLSD-WOJBJXKFSA-N	567.521	4.240	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	105497026	QGFXJQLOUQETPS-YVBHXKDBSA-N	615.664	4.303	5	40	KIBB	
CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	217979614	OBCHPPWWIMNPNJ-FUPPJEDESA-N	599.350	4.421	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222611185	ANOZKYLISHCODH-GOSISDBHSA-N	607.060	4.063	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225436742	YPDZXOJHWWLSTL-MUUNZHRXSA-N	610.733	4.483	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1	408642452	DWPQFDKJDBBQIJ-PTRUDAKASA-N	579.565	4.170	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408646636	TYWOOUYHXXBYPA-UAOJZALGSA-N	528.359	4.019	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408649090	XGOLPCAMMVVHDK-WCGMZUJWSA-N	597.605	4.169	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408673007	WDNQOHYQPXBARA-GOSISDBHSA-N	513.506	4.279	5	40	KIBB	
CCc1cccc(C)c1NC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	409114643	HWSUCAMBKLPXTO-UHFFFAOYSA-N	513.572	4.317	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1	3206821	JVFTUWXINBECOM-UHFFFAOYSA-N	508.516	4.049	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	6227655	NIPAKBZNERTVOE-DJTCXORXSA-N	573.583	4.004	5	40	KIBB	
COc1c(Cl)cc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Cl	16194502	ZICGERZDYWBOEP-UHFFFAOYSA-N	503.795	4.401	5	40	KIBB	
CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCN(c5ccccc5)CC4)c3)CC2)cc1	16691503	RABPYUGKUJGRDE-UHFFFAOYSA-N	515.614	4.283	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)C(C)(C)Oc1ccc(Cl)cc1	100823321	AJLGKYDWRRZJSN-WGPBWIAQSA-N	560.994	4.406	5	40	KIBB	
CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC[C@H]3CCCO3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	101404888	VRRDXWRTCKCXKD-LEAFIULHSA-N	579.606	4.132	5	40	KIBB	
CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1	112229481	BCBDJEMYLNWVLF-UHFFFAOYSA-N	545.625	4.163	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	409101124	VPVWQFUISPAGTC-GXPYYPFNSA-N	624.100	4.315	5	40	KIBB	
CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20079698	DZMKSDQFNQDKOU-VWLOTQADSA-N	530.633	4.096	5	40	KIBB	
Cc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2ccccc2)cc1[N+](=O)[O-]	100816748	NZWFLTCEKLHRDO-UHFFFAOYSA-N	542.621	4.485	5	40	KIBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN12	103547055	JNIHNHHTMVBUCU-HPQIJTKRSA-N	564.554	4.236	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	138749809	PHZNREUCSAEIPD-DKSSEZFCSA-N	500.349	4.336	5	40	KIBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(OC(=O)c2ccc(Br)cc2)cc1	408638575	SFWPGMXWXGMURA-GOSISDBHSA-N	567.348	4.356	5	40	KIBB	
COc1ccc([C@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1	604404705	QZTPDYZSVYBBHM-FDAFYIGUSA-N	542.636	4.443	5	40	KIBB	biogenic
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1	14279447	ACNWZTILBKPWSJ-UHFFFAOYSA-N	500.964	4.290	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	163743267	QJMFMVDMWBXCRP-DNQIBQKISA-N	671.469	4.179	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223733209	MAAYIIVQUXHJPB-KDYSTLNUSA-N	584.670	4.055	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260944340	JCZNITOOWVUOMO-SJORKVTESA-N	573.499	4.308	5	40	KIBB	
CC(C)c1cc(I)ccc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C	409143311	MUXOXWJVLCROOM-UHFFFAOYSA-N	594.435	4.112	5	40	KIBB	
CCC(=O)Oc1c([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc(OC)cc1[N+](=O)[O-]	8453143	JMIGFPGHLXXROX-QHCPKHFHSA-N	525.543	4.327	5	40	KIBB	
COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1[N+](=O)[O-]	101789780	DDXKMTBTDMPYHB-RUZDIDTESA-N	525.355	4.416	5	40	KIBB	
CCCCn1/c(=N\C(=O)COc2ccc3ccccc3c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	103628193	LDDFZZGFIBDAHD-BLCKFSMSSA-N	524.577	4.286	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223576703	NUNKBSLNNIAWQF-SANMLTNESA-N	631.549	4.208	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224711094	VLGWZGQRSHGJER-JOCHJYFZSA-N	552.653	4.042	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	261031587	XJANODMGWKSTAP-GOTSBHOMSA-N	626.732	4.448	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(SC)cc1	408997499	GVLAKKLWNRQKCG-HZHYMEEXSA-N	573.652	4.271	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)c2=O)=N1	409033743	LMKQXQRJVCBAOD-XSZPGNIMSA-N	529.574	4.275	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1	409042962	LXYGPCOOPVNMSR-CMISJSSVSA-N	555.612	4.286	5	40	KIBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCCSCc1ccccc1Cl	20451986	KZFIYQHCMXTUNY-UHFFFAOYSA-N	520.032	4.493	5	40	KIBB	
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22843191	GUCCAARVFCDOGC-UHFFFAOYSA-N	518.555	4.070	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	105957732	UUVGEGDOIWXPSA-ASZNLBCTSA-N	608.717	4.349	5	40	KIBB	
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@H]1[C@H]3Sc2[nH]c(=O)sc2[C@H]1c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl	150352299	KVEXQSMVCLEQPB-AKXVQCLMSA-N	628.084	4.135	5	40	KIBB	
CCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1	408637391	JTBFANHIYDQHFQ-JOCHJYFZSA-N	574.542	4.160	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(C)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1	408978909	OMLSRWIGPJBSPP-SUAMDDGLSA-N	570.627	4.108	5	40	KIBB	
Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)c(C)c1	409374407	OSIAAFHYEBTKGC-ODLFYWEKSA-N	501.586	4.279	5	40	KIBB	
O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	409378484	PYYVMGBZVYTUBK-UXHICEINSA-N	547.303	4.376	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccc(Br)cc4)c([N+](=O)[O-])c3)C2=O)o1	409399750	LJYTZYQMCBMXNE-ZDLGFXPLSA-N	556.325	4.409	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2nc(O)c3nnn(Cc4c(Cl)cccc4Cl)c3n2)CC1	1324998	NMQJPUQKZPRKGO-UHFFFAOYSA-N	528.356	4.210	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(OC)c(OC)c3OC)[C@H]2C1=O	102765605	ZYJAUJFJYYVXMJ-MVERNJQCSA-N	549.536	4.070	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O	104063545	OGDFZUCTTIDXJD-XPGKHFPBSA-N	523.501	4.030	5	40	KIBB	
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	105315561	NIQSSJJLMVDRRX-UHFFFAOYSA-N	522.616	4.105	5	40	KIBB	
COC(=O)COc1cc(Br)c(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC	214980891	UFVHYGSMQMXNGH-QGMBQPNBSA-N	537.344	4.154	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225367676	INBMULNLKCBQCR-MHZLTWQESA-N	582.679	4.132	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225602677	OZXFXIOJKQFUIV-PGRDOPGGSA-N	553.081	4.045	5	40	KIBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=Cc4ccccc4N2[C@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1	247857512	DGPYGWKOWBDUQU-KEVKATSASA-N	508.534	4.240	5	40	KIBB	
Cn1c(=O)n(C)c2cc(N3CCN(c4ccccc4)CC3)c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc21	408537000	YTEVDDORUQYHGH-UHFFFAOYSA-N	520.977	4.018	5	40	KIBB	
CCC[C@@H]1N=c2s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2C(C)=C1C(=O)OCC	408732671	XEQPMAVEBGWIOU-BABSMXRMSA-N	565.648	4.221	5	40	KIBB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n21	409019802	XJFUSZASUHGFKR-MRWVFDTMSA-N	689.743	4.328	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1	409399272	HLLCLNKUJRJQJY-GRSHGNNSSA-N	633.351	4.260	5	40	KIBB	
O=C(Oc1coc(CSc2nnc(NC(=O)c3cccs3)s2)cc1=O)c1ccc([N+](=O)[O-])cc1	101036562	KEASWMIEEXOQNI-UHFFFAOYSA-N	516.538	4.225	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1	260815162	VPIOGLMFYARURH-OAQYLSRUSA-N	582.679	4.131	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1	261090153	SYZKLXFAKIGJNC-HHHXNRCGSA-N	580.707	4.224	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@@H]1c1ccccc1OC	409094447	FHUCLVSJGHEIIS-XQNWCSQWSA-N	602.669	4.289	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl	409196625	WYRAEGDBHOQLFT-OBXYEHHASA-N	562.829	4.122	5	40	KIBB	
CC(C)(C)C(=O)COC(=O)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-]	14241391	YHTZZRURZZKXML-UHFFFAOYSA-N	506.602	4.303	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225374721	KDGVXKHMTGRCLV-MUUNZHRXSA-N	626.732	4.449	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1	408649590	YJQMKIIRLBIZEM-IRXDYDNUSA-N	504.326	4.317	5	40	KIBB	
CCc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)cc1	408658402	JFJOHRWINBRENY-SFHVURJKSA-N	513.506	4.225	5	40	KIBB	
CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)ccc1Cl	409357561	IZOPUIMHZAVKDT-GXHLCREISA-N	547.929	4.219	5	40	KIBB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccccc1	12565558	CEFYHJWIKNOCFP-UHFFFAOYSA-N	508.383	4.456	5	40	KIBB	
CCc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2	97954560	PBOMKQMDNGXEAN-UHFFFAOYSA-N	533.544	4.411	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223053827	SLMNHDFJOXCBLI-HSZRJFAPSA-N	566.680	4.432	5	40	KIBB	
Cc1c(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	408588518	WTSCHGCOPLRYQX-UHFFFAOYSA-N	518.389	4.495	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(SC)cc1	409001932	YBHHKKADHKGKLL-UJWNWPGJSA-N	547.614	4.159	5	40	KIBB	
COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl	59331862	ZQWSONDZZBPGTC-UHFFFAOYSA-N	522.949	4.388	5	40	KIBB	
C[C@H]1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1	104200327	TUKROMYUXCQTMV-CSPLRURBSA-N	595.473	4.154	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224232796	CZHYFMAAAQDMBL-AREMUKBSSA-N	552.653	4.042	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@@H]1c1ccccc1OC	409108594	VKPYEENYCNYYRD-PCJRJIAFSA-N	603.745	4.401	5	40	KIBB	
CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409168310	PYRKLOWLEBMAKU-LICLKQGHSA-N	537.310	4.090	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409271654	KYACGEKGGAJKBS-MSXFZWOLSA-N	592.542	4.448	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)C2=O)o1	409398002	AUGBCMWUQJLRCR-ODLFYWEKSA-N	556.325	4.409	5	40	KIBB	
O=C(c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCc3ccc([N+](=O)[O-])cc3)nc2c1)N1CCOCC1	33077897	BNCSUUDFMGALGP-UHFFFAOYSA-N	520.542	4.198	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2ccc(OCC)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	101134969	VQVCOKBUICBAAT-JVCXMKTPSA-N	502.571	4.156	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1	105500677	KNUWTIIFIXRZHF-LMSRTUJASA-N	586.582	4.407	5	40	KIBB	
Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3O)nc2c1	112231041	NGTZAYOUQZKUFS-UHFFFAOYSA-N	533.566	4.380	5	40	KIBB	
O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1	138849119	ZCVJAWZTAQNKPO-UXRGOTNFSA-N	579.392	4.304	5	40	KIBB	
COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n21	408947702	QUBUIAULKSGMEB-YMAYPHAPSA-N	667.332	4.334	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)cc1	409063501	LWEPGXNDNAGTJX-JGAIACPSSA-N	642.690	4.041	5	40	KIBB	
CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc(Br)cc2)n1C	409134922	OUZBYOHKAORNON-LJQANCHMSA-N	547.435	4.344	5	40	KIBB	
O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	991234	ZUPVMRSTIYXOQH-UHFFFAOYSA-N	539.294	4.172	5	40	KIBB	
CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1	8897189	SEAKFWWVWCLOJT-UHFFFAOYSA-N	507.572	4.040	5	40	KIBB	
COc1cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	409065842	NTNJUACJYGIYCA-UHFFFAOYSA-N	692.570	4.070	5	40	KIBB	
COC(=O)Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1	409081795	LBSTYQUOJRFITJ-OXDPQRGISA-N	671.728	4.398	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NCc4ccc5c(c4)OCO5)nc2c31	8878113	DVCBQHOYKJNXFS-UHFFFAOYSA-N	507.502	4.268	5	40	KIBB	biogenic
O=C(NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112244496	GQLFRQUKLJFANY-UHFFFAOYSA-N	548.444	4.444	5	40	KIBB	
CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223170824	AKDGATLDFAZGFH-VWLOTQADSA-N	603.097	4.314	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225056272	DSNNBYZFWSMPRR-VWLOTQADSA-N	558.701	4.234	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260942289	ISYFUPLIVHSTJR-PKTZIBPZSA-N	566.680	4.431	5	40	KIBB	
O=C(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnc(N2CCc3ccccc3C2)nc1Cc1cccc(Cl)c1	585265513	NOARRSIQFKZAJA-UHFFFAOYSA-N	564.023	4.310	5	40	KIBB	
O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccc(/C=C/c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)ccc1Cl	100168964	NSFQMQMBJZCXPG-JXMROGBWSA-N	561.894	4.462	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222846447	YVDDGRPTCICSAL-SSEXGKCCSA-N	616.696	4.185	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	261092400	UIFFPTGXGHVDIK-DWACAAAGSA-N	598.697	4.363	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408730132	FRNZZEOWFWHOTJ-JEYMYLTASA-N	634.623	4.294	5	40	KIBB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1	409103626	DNOZTMKWFYZALL-ODLFYWEKSA-N	525.315	4.457	5	40	KIBB	
O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21	8837893	UHTBJYZILVMUJT-WBADGQHESA-N	500.898	4.010	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccccc2SC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	14410819	DKGXSCICHUIXCH-UHFFFAOYSA-N	501.586	4.468	5	40	KIBB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1C	20009929	DXIJJOCAGIKONF-IBGZPJMESA-N	503.964	4.094	5	40	KIBB	
O=C(Nc1ccc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	59211794	CGUVUAXTURZTEM-UHFFFAOYSA-N	564.042	4.228	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222859229	YAPFKLSZTMJLLH-MHZLTWQESA-N	582.679	4.131	5	40	KIBB	
CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-]	57238694	LOIYGXORECHQHZ-UHFFFAOYSA-N	518.570	4.355	5	40	KIBB	
COc1ccc(CCn2c(=N)c(C(=O)NCc3ccccc3Cl)cc3c(=O)n4cccc(C)c4nc32)cc1	101252357	QNUNCJCPQFQDAR-UHFFFAOYSA-N	528.012	4.272	5	40	KIBB	
COc1ccc(Br)cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	108204388	JKOOUITUHULVTM-UHFFFAOYSA-N	562.490	4.193	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223477742	OAVRCHZSYFNSIQ-JOCHJYFZSA-N	582.679	4.132	5	40	KIBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408647040	JFFIEVLQPJJLEW-QGZVFWFLSA-N	505.439	4.074	5	40	KIBB	
CCOC(=O)c1c(NC(=O)C(=S)NCCCNc2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2	8781443	BIUMKQWSOPCWOB-UHFFFAOYSA-N	504.634	4.460	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1ccc(Cl)cc1	13615192	WWMPVVUZDXKDKT-UHFFFAOYSA-N	520.032	4.493	5	40	KIBB	
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	14361036	NCXYTCCQRGOPME-GFCCVEGCSA-N	509.949	4.295	5	40	KIBB	
COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	20239381	DVLCYWNPGRGEJK-UHFFFAOYSA-N	503.964	4.077	5	40	KIBB	
Cc1nc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1I	105313026	HGCVWHQOKBAVRW-UHFFFAOYSA-N	525.372	4.020	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224720873	WCBNOXYFYXWLOG-QHCPKHFHSA-N	596.706	4.359	5	40	KIBB	
O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1	408652196	HLYIUIPNGUBKCI-PJYWLYPCSA-N	522.344	4.127	5	40	KIBB	
CCOC(=O)C1=C(C)N=C(SCc2ccc([N+](=O)[O-])cc2)N[C@H]1c1cc(OC)c(OC)c(OC)c1	408990113	MOQVRUIDPNQUIU-NRFANRHFSA-N	501.561	4.391	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	409107703	QDAGLVPQIIXYRC-CYGYJLBOSA-N	641.750	4.010	5	40	KIBB	
COc1ccc([C@H]2N(C(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1	98007985	UULHYWMGXUEUOZ-VWLOTQADSA-N	567.649	4.112	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225358946	QUTMCIZAPAAMEQ-MUUNZHRXSA-N	610.733	4.234	5	40	KIBB	
CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)cc1	408660950	MCCNNKBMRCLKFM-QGZVFWFLSA-N	529.505	4.061	5	40	KIBB	
C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	408683635	LVGHKTGIMXZFHK-BJZITVGISA-N	528.359	4.019	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1	408920812	NXOCHONSLDLUSC-UHFFFAOYSA-N	566.617	4.230	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccccc1OC(C)C	408945634	XEJQIHFLHCEMLH-IAOUMNOZSA-N	590.702	4.484	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c2=O)=N1	409100641	RCOZTSVXJNYMFI-JYXZFHPPSA-N	647.735	4.451	5	40	KIBB	
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1cccc(Br)c1	409161840	ZNZUGMXYFQMPNG-UNOMPAQXSA-N	504.362	4.430	5	40	KIBB	
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)c1	409274320	VUIDPJBHNMGFEF-YNMQQHPQSA-N	590.702	4.340	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225481953	FCANANTYFOXVSJ-IBGZPJMESA-N	633.521	4.033	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408551188	MDADRCNURPQXPP-UDWIEESQSA-N	531.974	4.495	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccccc1OC	409088275	KSAJBASYGNRDCJ-QYTZQGLJSA-N	589.718	4.011	5	40	KIBB	
CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409133488	LZSVEPKZGKFMRD-OAQYLSRUSA-N	585.712	4.103	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O	409221986	AMFYLLPKJFBBLN-FYJGNVAPSA-N	581.379	4.476	5	40	KIBB	
COc1cc(/C=C2/N=C(c3ccccc3Cl)OC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	3323662	HXHUYZFVAIKJIS-YBFXNURJSA-N	514.899	4.369	5	40	KIBB	
O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	104083968	NZXVFBILMMIBQX-UHFFFAOYSA-N	555.591	4.392	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C	107671555	NUNFHSMNYGJYSE-QFIPXVFZSA-N	526.619	4.381	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225087442	AZCBHZYUVDEWGN-VWLOTQADSA-N	558.701	4.234	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3cccc([N+](=O)[O-])c3)C2=O)o1	409400657	PXMKWHHSCCSESW-NVMNQCDNSA-N	601.322	4.317	5	40	KIBB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	33355680	SASMKRFOAOLSTI-JPAACHHSSA-N	535.603	4.031	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(=O)Cc1ccc(-c2ccccc2)cc1	103629947	CLESXFWTDZFTPH-SZMQELOISA-N	562.626	4.342	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	150368602	RJZGLRLCURVMHV-WLPTYJMBSA-N	638.452	4.458	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCOc1cccc2ccccc12	223514483	IGMHUDFAWICIGG-UHFFFAOYSA-N	505.552	4.139	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224647242	MXNRXDOGVTXIMB-JOCHJYFZSA-N	582.679	4.051	5	40	KIBB	
COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408569930	KHPPLDJCNMLIOI-BWBSTZKSSA-N	538.944	4.404	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408956634	ZHHOGTATIMLWFF-PLQXQRLBSA-N	596.017	4.247	5	40	KIBB	
O=C(Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1)c1cccc(Cl)c1	112231808	AVSURKCGFNDCIN-UHFFFAOYSA-N	540.001	4.464	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3CCN(Cc4ccccc4)CC3)C2=O)cc1)c1cccc([N+](=O)[O-])c1	150483790	KGUFEGHMWUMROC-MHZLTWQESA-N	632.720	4.102	5	40	KIBB	
C[C@]1(O)CC(=O)[C@H](C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OCc1ccccc1	253562756	DQRIUOCJJJQXIQ-NVGWLYTESA-N	517.534	4.121	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408949170	SCFAZNLAYIQQCN-MFUBYVTQSA-N	565.991	4.238	5	40	KIBB	
CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1	409114268	GMWJYCSUTUUUDS-UHFFFAOYSA-N	519.963	4.490	5	40	KIBB	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])c(OC)c3)C2=O)ccc1Cl	409152091	DGNGSSAVCUUUBJ-UUYOSTAYSA-N	662.054	4.486	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409273737	RYKRPPQNWXVFCB-JLKMOJGBSA-N	633.771	4.265	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1	16037628	HGLVIFNJPCFVLH-POTDNYQPSA-N	509.518	4.310	5	40	KIBB	
Cc1ccc(C(=O)COC(=O)c2ccc(NC(=O)CCCC(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	97947930	VDYVZSVRYYGQOF-UHFFFAOYSA-N	546.532	4.478	5	40	KIBB	
COc1ccccc1Nc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	103006540	OVGFCCMTBNRIAA-UHFFFAOYSA-N	576.031	4.072	5	40	KIBB	
O=C(NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105316316	RVOQQVGVPLUBPZ-UHFFFAOYSA-N	609.108	4.174	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223677515	LDIAUIMOOUMQDE-JIPXPUAJSA-N	584.670	4.055	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224906396	QTSSWBYDHXGVQQ-UHFFFAOYSA-N	524.599	4.346	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1cccc(CN2CCCCC2)c1	224650135	QEULEACEYKLDTD-UHFFFAOYSA-N	522.627	4.092	5	40	KIBB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl	20006494	NIKRKZMQSIUDPX-FQEVSTJZSA-N	503.964	4.094	5	40	KIBB	
COc1ccc(OC)c(-n2c(CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)nnc2SCC(=O)Nc2cccc(C)c2)c1	97985205	QWWRHQMKXKBQIB-UHFFFAOYSA-N	576.635	4.470	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N\C(=O)c1ccccc1Cl	101091557	YQVRWKHUIUMMEM-GDWJVWIDSA-N	537.016	4.344	5	40	KIBB	
CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)CNc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2[N+](=O)[O-])c1C	102975074	KBLHVAKSXNPYRI-LJQANCHMSA-N	600.650	4.361	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	105497958	WKFWCRCLVWKJLJ-USDTVRPUSA-N	615.664	4.303	5	40	KIBB	
CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224490126	ZWRIUTLJIPSPGZ-HSZRJFAPSA-N	566.680	4.022	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccco3)c2=O)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408732596	SFNOHMVUKZLXAA-LXYLXTGBSA-N	589.626	4.386	5	40	KIBB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n21	409011544	GEXJJOHORXKQOU-RGFRMHDHSA-N	633.679	4.309	5	40	KIBB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409097237	HWQXMMWEUPISLE-SGEFVQMOSA-N	506.920	4.434	5	40	KIBB	
O=C(NC(=S)Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	32126209	FTWWZATZJZMNMM-UHFFFAOYSA-N	509.569	4.428	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1NCc1ccccc1	100104663	GJUAMFYIINSWDD-UHFFFAOYSA-N	531.432	4.480	5	40	KIBB	
COc1c(C)cc(Br)cc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	105303861	JCQFPOSXISLFOV-UHFFFAOYSA-N	527.828	4.165	5	40	KIBB	
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21	138300062	CRGUNCJDWJDPDE-AFXVXQJMSA-N	500.898	4.010	5	40	KIBB	
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225056321	DSNNBYZFWSMPRR-RUZDIDTESA-N	558.701	4.234	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225329989	SBGAWSSPWJRZGB-NDEPHWFRSA-N	610.733	4.234	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225428446	WZNHFEARZJGXHP-DHIUTWEWSA-N	566.680	4.165	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	409100043	UMDSYJDQFKHVBW-MFUBYVTQSA-N	624.100	4.310	5	40	KIBB	
Cc1cc(I)ccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	409128777	GTXZKWNWPXZIIV-UHFFFAOYSA-N	551.362	4.342	5	40	KIBB	
Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1C	19941498	MIJSKVKBZQCKNV-SANMLTNESA-N	528.617	4.066	5	40	KIBB	
COC(=O)c1ccc(Cl)c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	409260603	SRKAGEZIOKTBQR-UHFFFAOYSA-N	547.973	4.186	5	40	KIBB	
CCC(=O)OCCC[N@@+]1(C)CCc2cc(OC)c(OC)cc2[C@H]1Cc1cc(OC)c(OC)c(OC)c1	604938649	WWTRZMVMQNBCBQ-MNNSJKJDSA-N	502.628	4.359	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)sc(C)c1C	100766392	XUBDRKSUSLFYIY-ACRUOGEOSA-N	507.524	4.111	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@@H]3C2=O)cc1	101670930	UUJWSXITQVVYAS-XFAFFCHDSA-N	563.563	4.461	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@@H](C)C=CC[C@H]4C3=O)cc2)c1	408663286	YJCZGFLVIQEFQT-QBLOJZIGSA-N	597.580	4.260	5	40	KIBB	
O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl	409377981	MGPNVVAZUCNELW-WOJBJXKFSA-N	547.303	4.376	5	40	KIBB	
Cc1cccc(-n2c(=O)c3ccccc3n3c(SCC(=O)Nc4ccc(F)c([N+](=O)[O-])c4)nnc23)c1	2627866	FCNKTVOMWAFIJJ-UHFFFAOYSA-N	504.503	4.120	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-]	222595683	GHRJUOVMJAUASO-HSZRJFAPSA-N	510.388	4.286	5	40	KIBB	
CC[C@@H](C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260764749	LZGGNNSTGZTPLF-PMACEKPBSA-N	519.620	4.347	5	40	KIBB	
CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n21	409014672	NQOLXCNWUFBMTG-RYOBIWAXSA-N	603.653	4.382	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032306	CLDYFSMOXBGLGQ-CWPZDHDOSA-N	661.689	4.225	5	40	KIBB	
O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	9191542	VAAZWMHTODZOOC-UHFFFAOYSA-N	509.978	4.145	5	40	KIBB	
COC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)c3ccccc3[N+](=O)[O-])c3ccccc3c2O)cc(C(=O)OC)c1	100988482	XTLSICCNAVALEP-UHFFFAOYSA-N	564.528	4.112	5	40	KIBB	
COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112242643	VFSXPQDIHBTCNB-UHFFFAOYSA-N	560.588	4.340	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222735773	WXAFBJUVGGQMIJ-NRFANRHFSA-N	573.499	4.308	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222735831	WXAFBJUVGGQMIJ-OAQYLSRUSA-N	573.499	4.308	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223737043	TYBNRMBQILFUKM-KDYSTLNUSA-N	614.696	4.063	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260737449	MHNLCYMEIRFKGZ-JOCHJYFZSA-N	612.705	4.058	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	408613912	YPVHNSDOJHLFAZ-UHFFFAOYSA-N	548.543	4.158	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733774	QKLVHDUCEOAJHR-PLQXQRLBSA-N	547.564	4.414	5	40	KIBB	
O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl)Nc1ccccc1F	409386280	MHMWWZSZSMCPHV-MTJSOVHGSA-N	524.892	4.498	5	40	KIBB	
Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3C(F)(F)F)n2-c2ccc([N+](=O)[O-])cc2)s1	2965846	MBJPEHDYOSJBKP-UHFFFAOYSA-N	578.558	4.015	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	216379451	YFIHNJIGQPLKMI-SFHVURJKSA-N	543.598	4.002	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222501781	JLTMBWYBTDRLLE-GDLZYMKVSA-N	604.660	4.315	5	40	KIBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223994050	AAQUDCGLWYXHNE-INIZCTEOSA-N	571.483	4.144	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260717379	GCOJKHJQHSLDMQ-HSZRJFAPSA-N	596.706	4.357	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O)N1CCOCC1	409137139	VIJGQZMZZYGBQR-YBFXNURJSA-N	537.472	4.301	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(Br)c3)C2=O)o1	409399733	LELJXLZTOMEANZ-SXGWCWSVSA-N	543.286	4.017	5	40	KIBB	
CSCC[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)c1nc2ccccc2[nH]1	604406067	ZVRDHXZSAUYXSU-GKJQBTODSA-N	584.702	4.408	5	40	KIBB	biogenic
CCCCOc1ccc(C(=O)/N=c2\c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2C(C)C)cc1	11691342	DYQHEQASTBVTNL-QCWLDUFUSA-N	502.571	4.327	5	40	KIBB	
CCOC(=O)[C@](O)(c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(F)(F)F	102414110	ONZDELYGNQCEJM-XMMPIXPASA-N	591.524	4.395	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409038563	PGURIMGRAYELAY-PMJCSSHISA-N	748.723	4.366	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)o1	409383464	YLRVUZGJRABZGG-QRVIBDJDSA-N	519.535	4.485	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3c(Oc4ccc([N+](=O)[O-])cn4)ccc4ccccc34)C2=O)o1	409398048	BKLJNGWCOARZFL-NDENLUEZSA-N	514.450	4.408	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-]	8896524	CXRRTOYEYVTOKJ-ZDUSSCGKSA-N	504.634	4.432	5	40	KIBB	
COc1ccc(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	22512522	SQFNJGHSKQRFPP-UHFFFAOYSA-N	527.599	4.211	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	205910192	WVRFHKKOGNRITN-UDWIEESQSA-N	531.974	4.495	5	40	KIBB	
CC(C)n1c(=O)sc2cc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)ccc21	225136025	DMHPYNPVFCIPBV-UHFFFAOYSA-N	526.596	4.386	5	40	KIBB	
COc1cc(C2=N/C(=C/c3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc(OC)c1OC	408847224	UHOSQESAAUVNBY-XDHOZWIPSA-N	504.451	4.184	5	40	KIBB	
CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc([N+](=O)[O-])cc(Br)c4O)c(=O)n32)cc1	408925739	SPJLWPSYFYXJLL-LYFUXTGPSA-N	604.504	4.285	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2=O)=N1	409031630	JUJQXBVDZOIJKK-QTTRZTASSA-N	671.570	4.094	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(I)cc1	835156	PLVUTWPUIIMKIH-UHFFFAOYSA-N	537.335	4.033	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(C[C@@H](O)CN(CC(C)C)CC(C)C)S(=O)(=O)c1ccc(C)cc1	9071696	NYDMYCZHVOSNEC-QFIPXVFZSA-N	507.653	4.082	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2ccc(OCC)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	101090768	BENJMLNSEWJZGJ-ZXPTYKNPSA-N	516.598	4.464	5	40	KIBB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N1	103724920	WPEFWBNGSJTUME-OOIVEFLKSA-N	520.954	4.029	5	40	KIBB	
C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223101571	PBSNFWAFUIHROT-JOCHJYFZSA-N	566.680	4.165	5	40	KIBB	
Cc1cc(OC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408673008	WDNQOHYQPXBARA-SFHVURJKSA-N	513.506	4.279	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccccc2OC)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409124957	CORUYOZQMKSFQB-NRFANRHFSA-N	512.592	4.073	5	40	KIBB	
COc1ccccc1NC(=O)[C@H](C(C)=O)C(c1cccc([N+](=O)[O-])c1)[C@@H](C(C)=O)C(=O)Nc1ccccc1OC	5004769	XIBXJFLWWAOOMP-CLJLJLNGSA-N	547.564	4.383	5	40	KIBB	
Cc1c(OCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC(C)C)ccc2c1oc(=O)c1ccccc12	9409917	UESSITNIKTZUTP-VWLOTQADSA-N	511.578	4.367	5	40	KIBB	
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4C)C(=O)[C@H]3[C@H]3C=Cc4ccccc4N23)cc1	101589731	CFIFQVFEOMZXOE-RAVGUYNFSA-N	537.528	4.101	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565307	JQBVXXIWVJRYGE-DPQOWFAMSA-N	553.369	4.458	5	40	KIBB	
Cc1c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]	408583320	HLGRHNKNSBFOPR-FQEVSTJZSA-N	518.389	4.194	5	40	KIBB	
Cc1ccc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-]	408683814	NOYOSBWFQJMXLL-YBWGJNNCSA-N	567.598	4.302	5	40	KIBB	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)N2c4ccccc4C=C[C@H]32)c(C)c1	9009854	DGPYGWKOWBDUQU-POTDNYQPSA-N	508.534	4.240	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(Cl)cc1)N1N=Cc3ccccc3[C@@H]21	9374775	SYGWZMRGVYPKEI-KIHHCIJBSA-N	514.925	4.318	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1cccc2ccccc12	97965458	XLVYQSMYTYWGGK-NWKGEQBZSA-N	594.443	4.328	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1	100398597	WSKQVVGNMZFBIX-UGLBGHAASA-N	540.359	4.195	5	40	KIBB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	103084539	NFQYNNRGHYTKAL-CQSZACIVSA-N	533.946	4.242	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224816332	BCDOQPJUTMGKQB-SANMLTNESA-N	519.598	4.455	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	260923493	IHDIOLCMZZGHBA-MUUNZHRXSA-N	580.707	4.082	5	40	KIBB	
COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(I)c1OCc1ccccc1F	409340494	YARRIADRJRKBMC-SREVYHEPSA-N	539.257	4.298	5	40	KIBB	
CCOc1ccc(NC(=O)CSc2nnc(CNC(=O)COc3ccccc3)n2-c2ccc([N+](=O)[O-])cc2)cc1	100816806	BCKXMRIGSRKMAJ-UHFFFAOYSA-N	562.608	4.000	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)sc2c1CCCC2	102863141	FIYGEGLBLLMZJD-DNVJHFABSA-N	533.562	4.373	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	104472505	PFEHBMAQEHWALR-UHFFFAOYSA-N	609.108	4.174	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225395357	FAQJSFMYNOGPJQ-MHZLTWQESA-N	582.679	4.132	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	260797495	PPWNXPZMOPPILS-MRXNPFEDSA-N	601.509	4.152	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc(Cl)cc1Cl	408644482	RNCJXIHHLVEKDU-JKUBGBAOSA-N	540.359	4.195	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@@H]1c1ccccc1Cl	408996290	CUXIGQSFVHNQJX-WLGHQHAYSA-N	555.056	4.206	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	409143688	DIUUPPAFTXPYKH-WSDLNYQXSA-N	606.451	4.230	5	40	KIBB	
CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1=O	409197573	IXJMTEUAZPOTCB-UWOKGBPVSA-N	534.568	4.049	5	40	KIBB	
COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1	39742859	NIKHLKKEBNNEOR-UHFFFAOYSA-N	504.415	4.066	5	40	KIBB	
CN1O[C@@H](CNC(=O)C2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@@H]1c1ccccc1	100915457	IJGWXJYKPWJGNX-RTBURBONSA-N	537.495	4.231	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408641067	JKTWFKQWWGEIEV-CALCHBBNSA-N	504.326	4.317	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408653344	POAUKXNORNBYMT-FGZHOGPDSA-N	561.572	4.291	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409146941	UORGVFGMYVBNGY-FQEVSTJZSA-N	500.556	4.203	5	40	KIBB	
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21	16012236	NGFOLCMPKJGNRL-LZJHYZMMSA-N	522.561	4.226	5	40	KIBB	
COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-]	100954073	BIFKSNWBQFHIFW-JAYSWQADSA-N	540.557	4.144	5	40	KIBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12	103549253	WBRWTURFOHAIIR-NGSHPTGOSA-N	528.952	4.398	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSc2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	103896787	CAIKNSGBQSBRFY-UHFFFAOYSA-N	529.640	4.324	5	40	KIBB	
COc1ccccc1N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	150446681	UIBUOGNBYWSTPN-UHFFFAOYSA-N	635.611	4.363	5	40	KIBB	
Nc1nc(=S)c2ncn([C@@H]3O[C@H](COC(=O)c4ccc([N+](=O)[O-])cc4)[C@H](OC(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3OC(=O)c3ccc([N+](=O)[O-])cc3)c2[nH]1	195813027	ROOCKCSKNKTVSV-VHENIMGFSA-N	746.627	4.001	5	40	KIBB	
COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2cccc(Cl)c2)cc1	409183165	RWKAZPOOPNCVIU-UHFFFAOYSA-N	505.936	4.099	5	40	KIBB	
CN1O[C@@H](CNC(=O)C2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C[C@H]1c1ccccc1	12949914	IJGWXJYKPWJGNX-MOPGFXCFSA-N	537.495	4.231	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccccc1Cl	102758649	YQVRWKHUIUMMEM-QCKNELIISA-N	537.016	4.344	5	40	KIBB	
Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NCC(C)C)cc1	222572273	IPMZSTXDAONASS-LJAQVGFWSA-N	594.734	4.390	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222810478	AAFCIGLSPGBXJR-HHHXNRCGSA-N	582.679	4.131	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2cccc(OC)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	225656978	MHNLCYMEIRFKGZ-QFIPXVFZSA-N	612.705	4.058	5	40	KIBB	
COC(=O)c1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2	409133889	NSDDAJDRITXIDJ-UHFFFAOYSA-N	529.596	4.156	5	40	KIBB	
COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c(OC)c1	103791101	CWAJNPLHECVQCV-CRCYZHLCSA-N	525.586	4.244	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	105497031	QGFXJQLOUQETPS-VPHSIRQSSA-N	615.664	4.303	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224747842	FMUDRZCHZAJZRK-JOCHJYFZSA-N	552.653	4.042	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408818267	XHQVBCAUOOYHBF-SXGWCWSVSA-N	526.308	4.453	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409105575	LEZSWYPXBSONET-LYRGBEMXSA-N	668.551	4.419	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1N1CCOCC1	409194484	CIDITNWXXZFWAH-HZHRSRAPSA-N	534.550	4.366	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C	3258724	ACISRDAXLCKHOT-HNNXBMFYSA-N	531.518	4.036	5	40	KIBB	
O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Br)c3ccccc3C2(Br)c2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1	8449501	WNIZCHVNUWAPDP-SIQOOTDXSA-N	654.267	4.226	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1cccc2ccccc12	97965455	XWHSXWMEZIYZPD-YOKWNPFVSA-N	594.443	4.328	5	40	KIBB	
COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5ccc(OC)c([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)c1	100140570	CBICPJRONCXRBR-MFCBUNOESA-N	525.586	4.244	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(-c2ccc(Cl)cc2)o1	107931817	UJGWXNWVCOCMGX-UHFFFAOYSA-N	556.044	4.182	5	40	KIBB	
CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225538891	RSNMGFGMVIDYDQ-FQEVSTJZSA-N	573.071	4.385	5	40	KIBB	
O=C1[C@@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Br)cc1	102831161	MBMNHMNTGOJCPM-QLBJFCOMSA-N	602.405	4.028	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(Br)cc3)cc2)CC1=O	408663171	YFRVNCIWZAVKTM-SFHVURJKSA-N	597.374	4.364	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c2=O)=N1	409036378	REXOIFJFEXSQFV-CMISJSSVSA-N	555.612	4.286	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409090242	LMSVKARZNYQYFU-XXMKCSCWSA-N	623.485	4.268	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409145649	OVPVJBROUFPHJS-NWKGEQBZSA-N	663.490	4.027	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCCSC(C)(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409167433	KWDWIXQAIQBWNP-UHFFFAOYSA-N	530.068	4.408	5	40	KIBB	
CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20079544	BVDADFDSMZHESJ-VWLOTQADSA-N	530.633	4.096	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC	102883701	FAQNPEIKAMSWSM-ZRBLBEILSA-N	554.899	4.225	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](CCSC)NC(=O)c1ccc(OC)cc1	105877879	RMOCAUBCCDKSRC-HXUWFJFHSA-N	558.686	4.478	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1	408569347	VRSHFCIBTAYRPY-PBPLDAPSSA-N	503.530	4.468	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408833309	XRBRDXWZXMGRIW-ZSJKCPIUSA-N	593.589	4.123	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC	408939853	IMEIWBUMQTYOJY-UDFIABOWSA-N	615.664	4.303	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=Cc5ccccc5N4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	103603159	ZGETZZNNHXRIDU-SSUZURRFSA-N	507.502	4.070	5	40	KIBB	
CCOC(=O)[C@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N21	103644903	BGGHYNLSYCAQES-CAUSLRQDSA-N	517.925	4.354	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	105548257	RMXCINYVHFBARZ-AQIZGWBQSA-N	574.571	4.183	5	40	KIBB	
CCOc1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OC)=C(C)N=3)ccc1OCc1ccc([N+](=O)[O-])cc1	107689059	LNJOHRABNZOPRJ-ASZNLBCTSA-N	585.638	4.294	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](CCSC)NC(=O)c1ccc(OC)cc1	109610221	BOOYBJSKSRFJJG-OAQYLSRUSA-N	558.686	4.478	5	40	KIBB	
CC(C)(C)c1ccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	224936804	GPFZWSKHWIVXJJ-UHFFFAOYSA-N	512.028	4.287	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225348305	FAMNHEKGRMIAMS-QHCPKHFHSA-N	513.591	4.247	5	40	KIBB	
CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260955467	KMUDQSBSQRCPAZ-GCJKJVERSA-N	553.081	4.045	5	40	KIBB	
CC1=C(C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)O[C@@H]2CCC[N@@+](C)(Cc3ccccc3)C2)=C(C)N1	263583895	DGVVISBYHUXFIU-SFPIMLNGSA-O	506.579	4.267	5	40	KIBB	
CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(I)c1OCC	2312849	SEXMJIBGOHSLAH-SXGWCWSVSA-N	508.268	4.341	5	40	KIBB	
Cn1c([N+](=O)[O-])cnc1C(OC(=O)c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ncc([N+](=O)[O-])n1C	102970820	RYUVFDKUASHRLS-UHFFFAOYSA-N	531.312	4.426	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OCC)c3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])o1	408730129	FQBDDFBSIIQGPA-MZANGIHLSA-N	589.626	4.386	5	40	KIBB	
COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2	409142114	LGIHPLULBZFNOM-UHFFFAOYSA-N	589.648	4.173	5	40	KIBB	
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	409348702	SDZWPDNUVNWENT-IBGZPJMESA-N	502.984	4.235	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	112238462	XIKHXEOUAPBXOD-UHFFFAOYSA-N	615.137	4.236	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC	197320743	DEVJXBXVHXHUHW-ITIZVALFSA-N	531.615	4.306	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224200442	DYQMBWOPOYQMMP-HHHXNRCGSA-N	596.706	4.359	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224794841	CEVKWMSVJPZEQT-NRFANRHFSA-N	603.525	4.256	5	40	KIBB	
CCCSc1nnc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1	225719884	VOQKSKYZXXDPMN-UHFFFAOYSA-N	537.645	4.099	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	260858428	AEHIHSRDFYZPJY-YADHBBJMSA-N	552.653	4.122	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl	408642250	MJYQHRVURVXYHX-UHFFFAOYSA-N	543.275	4.346	5	40	KIBB	
O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	408652533	DHHLJMQUWRCNTM-CQSZACIVSA-N	505.870	4.007	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408653032	PNETWPYVEOYPPQ-SZPZYZBQSA-N	559.556	4.067	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1	408664146	YVHZDDZFTVYJPY-FJAKRLOMSA-N	516.337	4.173	5	40	KIBB	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	6003363	GVFHDMKMODEFLZ-LOSJGSFVSA-N	630.651	4.494	5	40	KIBB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccc([N+](=O)[O-])c2)CCC3)cc1	97979603	LEDJZAJLKPVEBK-CYVLTUHYSA-N	572.599	4.463	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1	107839580	IQNGEHHBGBMLPU-QCHPHUCNSA-N	535.965	4.230	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223787160	AEJZKFPNJOWFTB-FQEVSTJZSA-N	573.071	4.387	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)sc(C)c1C	247808672	BEEMOXPCOZCOQX-OLKYXYMISA-N	557.584	4.458	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1	8401043	XBVFMZIGEXMOGU-CMISJSSVSA-N	555.612	4.286	5	40	KIBB	
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)ccc1C	103012629	PUOZUDSEVOVKPZ-UHFFFAOYSA-N	554.610	4.245	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(F)cc1	103784536	BEGXQRSOYKDQBB-QPJBPQEWSA-N	573.602	4.425	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224156560	JZHUODNZLZTCRI-MHZLTWQESA-N	596.706	4.359	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224310187	CGRUTDAEJDHUBJ-QHCPKHFHSA-N	565.092	4.189	5	40	KIBB	
CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224406151	GGXAPKXHGLWYPF-SANMLTNESA-N	584.670	4.055	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409106908	NLXAGQAWJVFOKH-HDFSHUSISA-N	619.744	4.019	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1	409356436	GMDADLARZHENGP-AWEZNQCLSA-N	502.984	4.390	5	40	KIBB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccc(C)cc4)nn3c2=O)cc1[N+](=O)[O-]	100847548	UGIHXRGZALUCOL-IWIPYMOSSA-N	536.573	4.444	5	40	KIBB	
O=c1/c(=C\c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1	100958363	PTBVCQORAWLJQS-LYRGBEMXSA-N	560.975	4.494	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	224779292	WRNHDBMUQDELPD-LJAQVGFWSA-N	592.718	4.368	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c2=O)=N1	408884207	XBKKZEUDWFQRHR-JLKMOJGBSA-N	693.756	4.272	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1	408990157	MZJMXBXRCKJDEB-NRFANRHFSA-N	565.389	4.036	5	40	KIBB	
C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc(I)cc3)cc2[N+](=O)[O-])C1	103093230	WIGCVODXYFGGNV-CQSZACIVSA-N	523.327	4.231	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Cl)ccc3OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1	150442924	KWIYGXVTUIJENL-QFDNUGPTSA-N	670.121	4.136	5	40	KIBB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n21	409019116	VVDBGYZWTYBHDL-XQNWCSQWSA-N	633.679	4.309	5	40	KIBB	
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1	409149035	WEEMXMKLKZBSIV-UHFFFAOYSA-N	588.469	4.270	5	40	KIBB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	409202948	VJXMMWDNHLKUIU-LPYMAVHISA-N	534.500	4.243	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cccs1	2228664	ACIXZMBKKJKCCF-QCHPHUCNSA-N	535.603	4.336	5	40	KIBB	
CCCCOc1ccc(C(=O)/N=c2\c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2CC(C)C)cc1	11691351	UCUQGCXIOOZAET-GKPLWNPISA-N	516.598	4.402	5	40	KIBB	
CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cc(OCC)c(O)c([N+](=O)[O-])c1	97939776	XXNFKSLZKPHBNE-UHFFFAOYSA-N	556.568	4.210	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222994173	CQJUOQWZQMRFMH-IBGZPJMESA-N	603.495	4.106	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	225504309	VKQYERKPJMWHDY-QHCPKHFHSA-N	596.706	4.357	5	40	KIBB	
COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(O)n5)c([N+](=O)[O-])c4)c(=O)n32)c1	409107321	OSCAWOBQSKXZGA-XQAWFANUSA-N	633.708	4.059	5	40	KIBB	
Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12	409333214	ILDSYQPSQHCAGJ-LBHSSTRISA-N	538.512	4.462	5	40	KIBB	
O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)OCc1cc(=O)oc2ccc3ccccc3c12	2639816	MRUGNOQEHGKAFX-UHFFFAOYSA-N	505.470	4.377	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	3771210	AWHNUSHLNLVKFR-NFYDWNOTSA-N	573.583	4.004	5	40	KIBB	
COc1ccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	103053628	WJPPIDKPTOBDIP-UHFFFAOYSA-N	524.382	4.422	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222717359	UAAZLJZFYXQOMM-XMMPIXPASA-N	593.489	4.054	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	408766289	BMBUYGMABZTBTB-LYRGBEMXSA-N	592.611	4.469	5	40	KIBB	
CCOc1cc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc(OCC)c1OCC	2375957	LBYPBDITLPFBGZ-UHFFFAOYSA-N	521.573	4.333	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	57222958	WKVMYVIKYBYDIG-UHFFFAOYSA-N	518.570	4.355	5	40	KIBB	
COc1ccc(N(CCN2C(=O)c3cccc4cccc(c34)C2=O)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1	97983913	WQFMQERSEDUVHZ-HSZRJFAPSA-N	642.690	4.487	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1cccc(OC)c1	100305492	WINUTNOABIQUKC-KMBIYUNPSA-N	559.600	4.284	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1	150471423	NVAKTFUGKXWZQA-PIXWUVMMSA-N	646.634	4.424	5	40	KIBB	
NC(=O)C[C@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21	408654220	KFHBRTLTYOUWIO-AAWHCLRQSA-N	628.852	4.129	5	40	KIBB	
COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4ccc(C)c([N+](=O)[O-])c4)CC3=O)cc2)cc1	408662639	XESOZWOBDABTPW-GOSISDBHSA-N	519.510	4.239	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc12	409100262	UUBWPQUREUHBME-QEYQTOMISA-N	556.644	4.174	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409100951	WCFUKWSKAOJOHS-XPCGLTFESA-N	668.551	4.419	5	40	KIBB	
CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	409343248	DNUWCOAMXLOPGK-LJQANCHMSA-N	502.984	4.235	5	40	KIBB	
O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])c([N+](=O)[O-])c1	409391360	YIHUMTSFAGVEKJ-DAFODLJHSA-N	520.208	4.338	5	40	KIBB	
COc1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br	97954859	ZVLJIPOFYVHUDN-VABKMULXSA-N	538.354	4.413	5	40	KIBB	
C[C@@H](C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1)N1C(=O)c2ccccc2C1=O	103088428	CGQRGUDETYXQMQ-LHSJRXKWSA-N	552.337	4.265	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225428598	KMLOCYAXFRKGFT-XZOQPEGZSA-N	566.680	4.165	5	40	KIBB	
CC[C@]12C[N@+]3([O-])CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@H]4[C@@]56CCN5CC=C[C@](CC)([C@H]56)[C@@H](OC(C)=O)[C@@]4(O)C(=O)OC)C[C@@H](C3)[C@@H]1O2	254216529	JTXQOORWDLJELA-ZGMVNTDRSA-N	824.972	4.020	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408565313	JQBVXXIWVJRYGE-MQVPCNEGSA-N	553.369	4.458	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1	409273914	ABLSJGUJOGJZQI-ZDLGFXPLSA-N	523.386	4.361	5	40	KIBB	
CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	4173913	IGNGLCCXNLJZNA-GYFFGYLLSA-N	538.556	4.238	5	40	KIBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	9601765	YMEXWYVWFXDYAK-UHFFFAOYSA-N	510.450	4.186	5	40	KIBB	
O=C(CCCC(=O)OCC(=O)c1ccc(F)cc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	97948047	SQJYCNOWAILMIC-UHFFFAOYSA-N	550.495	4.309	5	40	KIBB	
O=C(CCCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	102518119	PRZXWVKZDFRBJM-UHFFFAOYSA-N	577.502	4.078	5	40	KIBB	
O=C(OCC(=O)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1	102660390	JPUGPPNVVZBAHA-IHKGIWLBSA-N	566.522	4.165	5	40	KIBB	
O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)NCCOc1ccccc1	103777209	AGYKZCPERXGCGQ-UHFFFAOYSA-N	534.575	4.292	5	40	KIBB	
O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1	197872230	VIQDJYFOENVZJW-ZDGAQAAHSA-N	510.531	4.135	5	40	KIBB	
CC[C@H](C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225279850	LZGGNNSTGZTPLF-WOJBJXKFSA-N	519.620	4.347	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409034189	PSRFMXJAODLONZ-XKNCUGLGSA-N	718.697	4.358	5	40	KIBB	
CCOC(=O)c1ccc(N(Cc2cccnc2)C(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1	22832847	WEGFDEXGMYXGKH-UHFFFAOYSA-N	508.556	4.287	5	40	KIBB	
CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2C[C@H]2CCCO2)CC1	103629097	XAEGRKJNACPGPE-BPGURITCSA-N	534.657	4.429	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225327475	QDIZXFUGHBHMCC-MUUNZHRXSA-N	580.707	4.226	5	40	KIBB	
COc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1	3272124	ZWECHDATPBNSFE-VXLYETTFSA-N	514.899	4.369	5	40	KIBB	
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	19941641	PFOVMAGAQGHLOV-RUZDIDTESA-N	530.633	4.096	5	40	KIBB	
COc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	103003490	NNFLXFGCHDPBGW-YBFXNURJSA-N	553.505	4.241	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(CC)CC)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	105957739	UUVGEGDOIWXPSA-YNMQQHPQSA-N	608.717	4.349	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	214285754	GJXNXCVMINLKMO-RGVLZGJSSA-N	567.498	4.310	5	40	KIBB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	408643841	QBWQRMRYLRVBRX-AWEZNQCLSA-N	507.886	4.182	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(C)c(Br)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409144106	XJOMHIRWIFVNER-WYWXSHKMSA-N	556.438	4.086	5	40	KIBB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)NCCc3c(C)[nH]c4ccc(Br)cc34)c(=O)oc12	1073089	SQAUHOIXXCEGCZ-UHFFFAOYSA-N	500.305	4.235	5	40	KIBB	
COc1ccc(CNC(=O)COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1OC	70708299	PUUCHCMDWDMWCZ-UHFFFAOYSA-N	553.571	4.322	5	40	KIBB	biogenic
Cc1c(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)NC[C@H]2CCCO2)ccc2c1oc(=O)c1ccccc12	101549976	XMKLEVMOQKXPHQ-GJZUVCINSA-N	560.672	4.347	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1	102768235	OLGQGZQSNYLOIX-UODIDJSMSA-N	533.537	4.452	5	40	KIBB	
O=C(NCCc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1	102835118	AFZZRZCWNMVRRF-UHFFFAOYSA-N	525.974	4.207	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cc(OC)ccc1OC	163654779	YCUVKIQCMGQGIP-BXMULHQWSA-N	645.690	4.311	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4cccs4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408644267	QUNOOCCADVZGHB-PKTZIBPZSA-N	573.583	4.457	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1ccccc1OC	408725345	HIFHBBDIUKNKAN-XQNWCSQWSA-N	585.638	4.294	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733384	HVUFDAMOKIWOQY-IYVASWNSSA-N	589.626	4.292	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])[C@@H]2C1=O	13787318	QWUODKRCDPQNSH-SDHOMARFSA-N	519.510	4.062	5	40	KIBB	
COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1	20153077	WKGYYNJVNSTQOB-UHFFFAOYSA-N	510.572	4.473	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225077305	NFDGSMXUDJIPEA-AREMUKBSSA-N	552.653	4.124	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	100810833	BLPTVCHOVZPNRR-AQIZGWBQSA-N	547.564	4.414	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224144757	MTTXGZLPDNSRQM-AREMUKBSSA-N	552.653	4.042	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224523883	XUSUHNCKQNSXDS-HHHXNRCGSA-N	566.680	4.370	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225259061	DBHHDUJHBAEGBK-AREMUKBSSA-N	570.643	4.263	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408657445	UEBBGOHKEBTCQL-XQVMISGQSA-N	567.554	4.085	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3OCc3ccccc3F)C2=O)o1	409403323	ZMSFUCWPXXTFDA-NVMNQCDNSA-N	529.864	4.439	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)(C)C)cc1	12412454	ZHZVLHPFQJREKK-JDCXBEBJSA-N	505.596	4.004	5	40	KIBB	
CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])c(N5CCCCC5)c4)CC3)cc2c1C	100166689	QTXMTSAVZMDDJH-UHFFFAOYSA-N	556.641	4.327	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	163757719	PYWDOBUCPSGUCV-UTWPHBJQSA-N	638.452	4.458	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733363	HLZTVIDCTPPTEB-PLQXQRLBSA-N	574.571	4.183	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	408996282	HDEUBWTYWRCIHO-NTWBUQQASA-N	576.675	4.096	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc2c(c1)OCO2	409197202	YIOYDSGGPILRKO-UKWGHVSLSA-N	520.479	4.186	5	40	KIBB	
O=C(c1cccc(I)c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	22829143	SAADAPPTFHZKMP-UHFFFAOYSA-N	505.234	4.181	5	40	KIBB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)C2=O)c1	39556236	MGRUQIVKXLIGSJ-ZVHZXABRSA-N	509.522	4.438	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1ccc(C(F)(F)F)cc1	100823306	OSWYHUJEPOMCOS-DFKUXCBWSA-N	512.488	4.242	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@@H]1c1ccccc1Cl	100841373	DZUSYHKUVKCYCN-XSZPGNIMSA-N	580.018	4.246	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	101800989	HCXAJSBJZYSMAG-SDNWHVSQSA-N	528.565	4.386	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408642892	FKBGGHGLCDBRDP-CALCHBBNSA-N	502.310	4.093	5	40	KIBB	
COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccccc2C(=O)OCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	408674290	ZACUZMDTAZGWFR-UHFFFAOYSA-N	637.554	4.095	5	40	KIBB	
CCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O	409229069	JGWKXGHTFKGQIH-CXUHLZMHSA-N	619.153	4.296	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)N1CCN(c2ccccc2)CC1	8395989	VPELDWBJKDEKTA-XQNSMLJCSA-N	545.577	4.167	5	40	KIBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1	8815629	USZCHEOJRZZZGI-UHFFFAOYSA-N	501.464	4.215	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	224607660	UCGFSJPRWJHFJI-AREMUKBSSA-N	535.597	4.157	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224981363	LKKWUMBVZJTLLE-FCHUYYIVSA-N	552.653	4.122	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	408688923	XFWJBKDPWOESCC-SKDZVZGDSA-N	500.895	4.135	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1[N+](=O)[O-]	105317938	CNOOFEIZINZZLM-UHFFFAOYSA-N	558.016	4.329	5	40	KIBB	
CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225538963	WKVMLLSNVKTYMM-FQEVSTJZSA-N	573.071	4.385	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1	110193803	YOAWPALFFXEZHP-VZIOXZNFSA-N	535.965	4.230	5	40	KIBB	
CO[C@@H]1O[C@@]23CC[C@]4(O)C[C@@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@@]14[C@H]2CC[C@]1(C)[C@@H](C2=CC(=O)OC2)CC[C@H]13	119183803	LVPSFFFJUAEDQD-DXKFULSXSA-N	612.632	4.391	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222732328	BDKJNXCRGXULQH-FQEVSTJZSA-N	589.498	4.008	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1	408642425	DVGUFILYQGGJOY-IRXDYDNUSA-N	502.310	4.093	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223043205	XUQJWNHOVNIGRI-IBGZPJMESA-N	603.495	4.106	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC	409104131	DYHCPBPACKUIGZ-MFUBYVTQSA-N	668.551	4.419	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409142134	REZIDMCFSZOILB-NWKGEQBZSA-N	616.490	4.185	5	40	KIBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12	9358255	RJXNBZRXDNKBQO-LWSSLDFYSA-N	514.925	4.402	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(Br)cc1	108213950	QMQUVLHBZFGCQH-UHFFFAOYSA-N	532.464	4.185	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223004648	UFHHJEPZUKFPKH-QHCPKHFHSA-N	566.680	4.432	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223352813	LCORMYQINMNBHY-INIZCTEOSA-N	559.472	4.001	5	40	KIBB	
CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225054110	GLLSRENPZMLDMA-QHCPKHFHSA-N	596.706	4.093	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c2=O)=N1	409044666	HGCKUHYNQZDLAF-GJFKPFFXSA-N	529.574	4.275	5	40	KIBB	
CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409136226	XVORYUWVCLRXCP-SCWSEQNSSA-N	502.641	4.120	5	40	KIBB	
CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1	8897201	AHLXEBKFIRWSRY-UHFFFAOYSA-N	507.572	4.040	5	40	KIBB	
Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21	36307714	ADMFIICMWZIGRN-GRSOWLQASA-N	500.580	4.425	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1NCCOc1ccccc1	100233229	LRFHOKRXPJWKOM-UHFFFAOYSA-N	561.458	4.359	5	40	KIBB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc(I)cc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21	105650581	KCJNQNHRIFONKF-YQORSWRPSA-N	522.298	4.076	5	40	KIBB	
COc1ccc(-c2nnc(NC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1	223554051	WGSDHYQKHSBDON-UHFFFAOYSA-N	569.621	4.273	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1	408685531	LJYZJGLDFWJEHN-AMDXRBSFSA-N	527.533	4.464	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408730620	SFANXRKZUCTGHK-DKOMQPSQSA-N	687.468	4.285	5	40	KIBB	
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1ccc(Cl)cc1	408838137	RSXBBRASARNQMG-KCPLEYNQSA-N	632.798	4.370	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408926321	TUAJPKLUKBJAEV-BXMULHQWSA-N	622.659	4.438	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(Br)c1	409091285	SKLFMQYHLKCKMV-XXMKCSCWSA-N	623.485	4.268	5	40	KIBB	
CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2CC)cc1	409148947	UUYXLNJSGVCSBM-QFIPXVFZSA-N	554.629	4.241	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)ccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1	409402588	XBDPYRQERZTMFK-ODLFYWEKSA-N	511.874	4.300	5	40	KIBB	
Cc1ccc(S(=O)(=O)c2c(N)n(CCCOC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c3nc4ccccc4nc23)cc1	1863681	LYDXLTFDQVWMFA-UHFFFAOYSA-N	590.574	4.371	5	40	KIBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1	13682288	GGRMUIZZMHBLRT-HXUWFJFHSA-N	508.339	4.497	5	40	KIBB	
Cc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1	105306701	SJNFIDUJFCOEOZ-UHFFFAOYSA-N	552.016	4.254	5	40	KIBB	
C[C@H]1C[C@@H](C)CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3)C2=O)C1	113562479	KQVRIDOKPGLXNC-SAHWJRBASA-N	569.661	4.262	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223452782	BNOBEESDCGDQCB-NEKDWFFYSA-N	580.707	4.224	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224611085	HILGCIVAKYYJDK-HHHXNRCGSA-N	596.706	4.093	5	40	KIBB	
CS(=O)(=O)CC[C@@H](C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409176616	SPAZHHLVKUTSHE-LADGPHEKSA-N	619.435	4.468	5	40	KIBB	
Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1C	19941497	MIJSKVKBZQCKNV-AREMUKBSSA-N	528.617	4.066	5	40	KIBB	
COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-]	58834143	PXKIAXCJMCZGDP-GVMLUORFSA-N	513.550	4.375	5	40	KIBB	
O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1	103754297	NEBIKGZRQFJKHY-UHFFFAOYSA-N	561.692	4.496	5	40	KIBB	
CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1	408637437	KLBQMXGTAUYWPA-QFIPXVFZSA-N	574.542	4.158	5	40	KIBB	
Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c(C)c1	408666201	PAKUGHPHMXANEE-SFHVURJKSA-N	513.506	4.279	5	40	KIBB	
Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	408733076	VRXCNVPJOSKLPM-CRERUNJKSA-N	538.512	4.462	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	409103467	BRSCUGVUHNYCKD-BBZDMTTGSA-N	728.603	4.441	5	40	KIBB	
CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O	409190198	MMJBUZFOMQRDGY-OVCLIPMQSA-N	511.126	4.221	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Cl)cc3)C2=O)o1	409401394	SXXFMAOJSWIKOT-ODLFYWEKSA-N	511.874	4.300	5	40	KIBB	
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc(-c2ccccc2)c1C	3337585	BBQMEWHRTBABLZ-UHFFFAOYSA-N	546.579	4.007	5	40	KIBB	
O=c1ccc2cc3cc(I)c(O)c(I)c3oc-2c1I	5030676	KFGVOHSYZKQOKE-UHFFFAOYSA-N	589.892	4.417	5	40	KIBB	
CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	21123967	BWFNMAPEDQXZBO-UHFFFAOYSA-N	530.025	4.032	5	40	KIBB	
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1[N+](=O)[O-]	40399561	UTGQGXYXHINWBM-GFCCVEGCSA-N	503.302	4.101	5	40	KIBB	
Cc1c(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)NC[C@@H]2CCCO2)ccc2c1oc(=O)c1ccccc12	101549967	XMKLEVMOQKXPHQ-NVQXNPDNSA-N	560.672	4.347	5	40	KIBB	
CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)c2)cc1	102934247	AVEGVJORCWWJMT-UHFFFAOYSA-N	557.581	4.215	5	40	KIBB	
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2	103083585	BPCZTAVAXPDDGL-WDMNMGCXSA-N	502.527	4.411	5	40	KIBB	
Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3O)oc2c1	105310384	HPKLTFGCAXIFMX-UHFFFAOYSA-N	533.566	4.380	5	40	KIBB	
CC(C)CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1	105352742	WCPRWCPVIRJBRO-UHFFFAOYSA-N	538.674	4.017	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222501848	JLTMBWYBTDRLLE-LJAQVGFWSA-N	604.660	4.315	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1	223031656	VPIOGLMFYARURH-NRFANRHFSA-N	582.679	4.131	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	224409106	NZQRRMMZSQUXAY-SANMLTNESA-N	614.696	4.063	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225100921	WISGSJAAFKASQS-XZOQPEGZSA-N	566.680	4.431	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1	408817641	WLDSZYNGAMJIMM-ZGOFBEGVSA-N	603.628	4.433	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@H]1c1ccccc1	6488393	GTQDNZBUZHOXTD-RGFRMHDHSA-N	585.638	4.294	5	40	KIBB	
O=C(CSc1nnc(NC(=O)c2c(F)cccc2F)s1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1	100816912	URNNKOCCKIPSQL-UHFFFAOYSA-N	535.539	4.226	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225428668	QQWUAEKXBGTHJS-MHZLTWQESA-N	566.680	4.166	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225616186	XEQLFFWQLXLFRT-HSZRJFAPSA-N	511.962	4.022	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261060351	NPBVWRGQWMTWGK-LXFBAYGMSA-N	610.733	4.233	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)CC2)c([N+](=O)[O-])c1	408574414	QKLCTDKSLAXKAD-JLHYYAGUSA-N	534.594	4.268	5	40	KIBB	
Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408662038	MKCORJDYGADNJU-HNNXBMFYSA-N	519.897	4.316	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1	409107498	WHABXRDLJRBQCF-KMBIYUNPSA-N	631.692	4.157	5	40	KIBB	
O=C(CSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1	409337199	RKVZDGJKUMOELF-FFHKOHFQSA-N	524.555	4.386	5	40	KIBB	
COc1ccccc1-n1c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)nc2ccccc2c1=O	12542203	ZIZZGSYJIKTOGP-UHFFFAOYSA-N	506.540	4.350	5	40	KIBB	
COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)ccc12	15955066	HWEPWHCSZLPWBM-XMMPIXPASA-N	509.580	4.480	5	40	KIBB	biogenic
O=C(c1ccccc1I)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1	100133840	AIIIKVJJSKOHKU-UHFFFAOYSA-N	532.338	4.367	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N\C(=O)c1cccc(Cl)c1	101105966	XHDAOBNIXJLXRE-KRUMMXJUSA-N	522.989	4.036	5	40	KIBB	
O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	108522140	JXYXGEUIDGNDOR-UHFFFAOYSA-N	535.454	4.434	5	40	KIBB	
CC[C@@H](C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224476818	RCBZFUKBFVZDCK-INIZCTEOSA-N	509.997	4.258	5	40	KIBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408664114	YTHJDUXEVCRXFK-SFHVURJKSA-N	522.897	4.246	5	40	KIBB	
CCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl	409170164	UBRWGHVVPUKYJJ-VCHYOVAHSA-N	503.920	4.490	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OCc3ccc([N+](=O)[O-])cc3)C2=O)o1	409399504	JJFXPKNKVUELEE-NVMNQCDNSA-N	601.322	4.317	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cc(OC)cc(OC)c1	102921415	BUYIHHQLSTWTMN-GKPLWNPISA-N	530.581	4.089	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cccs1	103751894	GSDOXXAASAFELL-XXMKCSCWSA-N	561.641	4.347	5	40	KIBB	
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n21	409010566	CBWCIESGHNPGFL-NNAGEYCMSA-N	663.705	4.399	5	40	KIBB	
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)N(C1CCCCC1)C1CCCCC1	409147467	WUQCCQQWKDXELD-UHFFFAOYSA-N	514.652	4.239	5	40	KIBB	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1Br	97955279	SITBJMVEILNJBS-BDTNDASRSA-N	524.327	4.417	5	40	KIBB	
COc1ccc(CNc2nc(NCc3ccc(OC)c(OC)c3)n(C(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC	199432041	UXTLBGKQTFUNBG-UHFFFAOYSA-N	548.556	4.133	5	40	KIBB	
CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224995228	AOXRHFFYJRMHGR-AREMUKBSSA-N	631.549	4.288	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1OCC	408936799	GCEBEXJGHSGYFC-VXRCAMJYSA-N	589.626	4.292	5	40	KIBB	
COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(OC(C)=O)cc1	409177293	CPMATNCQUVUFPT-UHFFFAOYSA-N	552.879	4.022	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409250198	LQAMZUJHDJPELG-WGARJPEWSA-N	602.625	4.242	5	40	KIBB	
C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C	409355289	BXIJHFVYYYICDU-LLVKDONJSA-N	509.375	4.252	5	40	KIBB	
COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1	1314384	XXNYYPINKCEHAO-BDTNDASRSA-N	524.327	4.417	5	40	KIBB	
COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1OC	9892417	GAXPWNNUVUSQBY-LJQANCHMSA-N	526.615	4.296	5	40	KIBB	
CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1	22343826	KVXDAIMSASBKQE-XMMPIXPASA-N	527.599	4.383	5	40	KIBB	
CCOc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)c1	101184043	IWQXEEHDZDOYMZ-UMFSSWHCSA-N	549.536	4.070	5	40	KIBB	
Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3O)nc2c1	105306394	HBKVWWSITUYAKM-UHFFFAOYSA-N	533.566	4.380	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2cccc(Br)c2)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	224116825	FEBFMBPUFPJRJE-HNNXBMFYSA-N	522.396	4.077	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)[C@H](C)C(=O)NC(C)(C)C	260900794	DUSKNCRHOMXIRB-JOCHJYFZSA-N	566.680	4.431	5	40	KIBB	
COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408618465	JNHOXGHTRUVYPQ-UHFFFAOYSA-N	608.025	4.203	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408642980	FKBGGHGLCDBRDP-IRXDYDNUSA-N	502.310	4.093	5	40	KIBB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)c1	20061104	JXYGQLMXHKWDHZ-UHFFFAOYSA-N	517.585	4.285	5	40	KIBB	
N=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl	101060387	WNTDABQWEZZSMI-UHFFFAOYSA-N	511.390	4.317	5	40	KIBB	
O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1Cl	102778537	TZZPQUCZWBSUMI-QHCPKHFHSA-N	538.919	4.392	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)ccc1N1C(=O)[C@@H]2CC[C@H](C)C[C@H]2C1=O	408671103	SUDIAZODFCPUSC-UKYAFMKFSA-N	519.554	4.096	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408649085	XGOLPCAMMVVHDK-FYGLYAOUSA-N	597.605	4.169	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408725286	GSKBSWDHPVQPTO-PLMBTIQCSA-N	645.690	4.311	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1	408730549	HVFWRZYSLALDEM-PRLWALMFSA-N	585.638	4.403	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1	409107497	WHABXRDLJRBQCF-GVMLUORFSA-N	631.692	4.157	5	40	KIBB	
CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C	409141107	HMDZAUHZCGNDLW-LJQANCHMSA-N	502.984	4.235	5	40	KIBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409218464	VKDBIEJZXGDBEX-SRZZPIQSSA-N	646.369	4.458	5	40	KIBB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O	409241987	PNEWMQZUEUSUJH-BUVRLJJBSA-N	500.511	4.268	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	103629817	NMWKNKFDASDJAD-FSRJSHLRSA-N	571.977	4.371	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223794592	YULLUUGAIROLTL-IBGZPJMESA-N	621.087	4.453	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	260952099	SSYWDPDFSTZBNZ-HHHXNRCGSA-N	631.151	4.435	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(=O)n32)cc1OCC	408941042	JLJFTIDSVVSMNH-OYBDOCOOSA-N	646.634	4.424	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409036852	WMHQPTPODPTERU-GORIGYSASA-N	687.727	4.236	5	40	KIBB	
O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cnc(N2CCc3ccccc3C2)nc1Cc1cccc(Cl)c1	585265885	WTNCDOMYIMRJDL-UHFFFAOYSA-N	564.023	4.310	5	40	KIBB	
COc1ccc([C@H](NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@H]4C[C@@H](Cn5c4cccc5=O)[C@@H]23)C(C)C)cc1OC	604405009	OFCPQOIQFHEHFT-NCNKDLMASA-N	572.662	4.452	5	40	KIBB	biogenic
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12	229978474	CRGUNCJDWJDPDE-ODAXIHTASA-N	500.898	4.010	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4nc(C)cc(O)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Br)ccc1OC	409094569	DSDYBOIQYKKGQJ-VCDQAHEJSA-N	698.577	4.433	5	40	KIBB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	6135204	HJGHTBKLSYAPOH-MHZLTWQESA-N	542.644	4.402	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	100306039	DDVYITMRRONZMK-CSJROMOCSA-N	555.612	4.286	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1cccc(C(F)(F)F)c1	101176942	HWGOHYDCKPIYNQ-SJIPCVTESA-N	536.466	4.227	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223392098	GVQDWLHRIHEKPR-AREMUKBSSA-N	587.098	4.099	5	40	KIBB	
CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223831998	VZHNCZJGBXYQSH-JOCHJYFZSA-N	573.499	4.391	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	408666389	HUGSGPLCWNDCIS-UHFFFAOYSA-N	503.817	4.176	5	40	KIBB	
CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O	409015958	SYHJGEAAAJQEMU-AINDZBIGSA-N	517.472	4.292	5	40	KIBB	
CCCCc1nn2c(=O)cc(N3CCN(c4ccc([N+](=O)[O-])c(NCc5ccccc5)c4)CC3)nc2s1	5946680	HCFAGKCIYMHWEM-UHFFFAOYSA-N	519.631	4.341	5	40	KIBB	
COc1ccccc1CNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1	101331737	PAIDBZKBVOAGAI-UHFFFAOYSA-N	550.571	4.107	5	40	KIBB	
CS(=O)(=O)N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1	224951455	JDVGOWXOTAHDIH-NDEPHWFRSA-N	596.681	4.199	5	40	KIBB	
CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-]	408822797	MDRFSOJBUJWGKK-SNXNUMJZSA-N	664.918	4.064	5	40	KIBB	
COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(F)cc1	409178594	NDFUUVCJBUVKGI-UHFFFAOYSA-N	512.833	4.236	5	40	KIBB	
CCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1	33408141	MMMKFTHROKQKOQ-UHFFFAOYSA-N	511.648	4.211	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CCNC(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)C2=O)cc(OC)c1OC	97980220	VKRZLVYDBSKFRX-LFVJCYFKSA-N	584.651	4.467	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1N1CCN(c2ccccc2)CC1	100166921	KUKGKZJGZWKXAR-UHFFFAOYSA-N	586.512	4.195	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N\C(=O)/C=C/c1ccc(Cl)cc1	101245998	BBLHSCRWGKFXQR-QLDBKDKYSA-N	549.027	4.435	5	40	KIBB	
CC[C@]12C[N@+]3([O-])CCc4c([nH]c5ccccc45)[C@](C(=O)OC)(c4cc5c(cc4OC)N(C)[C@H]4[C@@]56CCN5CC=C[C@](CC)([C@@H]56)[C@@H](OC(C)=O)[C@@]4(O)C(=O)OC)C[C@@H](C3)[C@H]1O2	254216521	JTXQOORWDLJELA-FOHIHSBCSA-N	824.972	4.020	5	40	KIBB	
COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	408643413	PIZAANLPPIPIFC-AWEZNQCLSA-N	507.886	4.182	5	40	KIBB	
CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408763379	NKUJZBVZEHTZOK-FYJGNVAPSA-N	602.444	4.294	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1Cl	100841329	BYGRCQHXAQHEIT-XXMKCSCWSA-N	580.018	4.246	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)sc(C)c1C	102912236	QAVGYZMLNOINKU-QHAWAJNXSA-N	507.524	4.111	5	40	KIBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223957141	AJUMNIJNGMQPMO-MRXNPFEDSA-N	571.483	4.144	5	40	KIBB	
CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224490303	JQRWSBCVSGQBIJ-QHCPKHFHSA-N	566.680	4.022	5	40	KIBB	
COc1ccc([C@@H]2C=C3c4ccc(C)cc4OC(=O)[C@@H]3[C@H]3C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]32)cc1	409336119	SHJXJLGBPJONAM-YQMHAVPBSA-N	540.528	4.442	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	105497008	YOIWYICTRBKZLH-YVBHXKDBSA-N	615.664	4.303	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225352833	GOGXBNRXTZYGDW-OAQYLSRUSA-N	573.499	4.310	5	40	KIBB	
COc1ccc(N(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408630218	PPVUQTQZOAZNLZ-UHFFFAOYSA-N	592.596	4.475	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccccc1OC	408828275	LKGRFUTUGCOSGU-RISWYLRJSA-N	559.600	4.284	5	40	KIBB	
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(Cl)cc1	408829665	KIWOPAOMKQYCLV-KAKTVLCNSA-N	679.798	4.213	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O)N1CCOCC1	409140223	GPALCRBWOODHEY-YBFXNURJSA-N	735.294	4.278	5	40	KIBB	
CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C	409141104	HMDZAUHZCGNDLW-IBGZPJMESA-N	502.984	4.235	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1O	409271374	BZFKFZLUDAWGIB-RQZCQDPDSA-N	507.318	4.381	5	40	KIBB	
CCCC12CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC(CCC)(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C1)C2=O	1317283	UCVLIPMPTBWMAY-UHFFFAOYSA-N	550.612	4.115	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1cccc2ccccc12	100956142	XLVYQSMYTYWGGK-JUTHHCEFSA-N	594.443	4.328	5	40	KIBB	
O=C(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)C(=O)[C@@H](C(=O)c1ccncc1)[C@H]1OC(=O)c2ccccc21	102933249	KHVQTKNNPACEFM-UTKZUKDTSA-N	514.277	4.215	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O	104126571	SYGWZMRGVYPKEI-YCAMKHIRSA-N	514.925	4.318	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(F)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408729672	HTYJHJNCYHROPR-RWTNITNYSA-N	533.537	4.106	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408933963	BWWGIXDUYDOWEY-DKOMQPSQSA-N	583.981	4.378	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c2=O)=N1	409043092	ZIQPGEHPJDPBPJ-RISWYLRJSA-N	586.582	4.407	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc([N+](=O)[O-])cc1	409081293	PKDCDUTXNGYAGO-QPJBPQEWSA-N	630.635	4.202	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1OCC(=O)OC	409265605	UBRUGSAZESXTFQ-VXLYETTFSA-N	626.381	4.069	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	2058604	QANTZUBOBNWZKL-JYWRCUDFSA-N	518.378	4.013	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225737321	CUTCUEFZMVSXQR-IIBYNOLFSA-N	603.525	4.398	5	40	KIBB	
CCOC(=O)COc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-]	409035234	JHXBQEWIPCNAKP-JEYMYLTASA-N	718.579	4.207	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(C)cc1	409361384	RNRVSKRSKRFUOZ-AWEZNQCLSA-N	502.984	4.390	5	40	KIBB	
CCOC(=O)c1cc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)ccc1Cl	409373574	XMPAAGMQWRTFFA-KWMZMRFFSA-N	502.910	4.302	5	40	KIBB	
COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408570104	YYMPKSACQIPVNC-ZNCVFPSASA-N	583.395	4.467	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	409200470	SLJFHVDNHPECBE-PKAZHMFMSA-N	631.667	4.006	5	40	KIBB	
O=C1C[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccc(Cl)c(Cl)c1	101091587	LJPXYXKSFWCMPS-GOSISDBHSA-N	517.291	4.375	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OCC(=O)O	101633653	XCNPYPPSYSQUMO-MFOYZWKCSA-N	537.344	4.456	5	40	KIBB	
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12	103534921	QILMXKJVQQGJMN-FDOTVTPFSA-N	528.952	4.263	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223896594	MHTBPWKBNDZDMV-FQEVSTJZSA-N	617.522	4.496	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224862035	XNNCKDJUCWYXGI-OAQYLSRUSA-N	600.669	4.190	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260905745	PENYEVVTAAFAPJ-QGZVFWFLSA-N	573.499	4.166	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1	13677866	JEZXAJUYACDCCB-UHFFFAOYSA-N	502.376	4.091	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)COc1ccc(Cl)cc1Cl	103629016	FSVGTNAVYRVHFY-GDWJVWIDSA-N	567.385	4.280	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223523042	VGSWJKVUNBXIJN-HSZRJFAPSA-N	566.680	4.166	5	40	KIBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408640635	BFLHLUCEFUKVTB-SFHVURJKSA-N	522.897	4.246	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408643027	OKPBJXAFFQZTGT-UHFFFAOYSA-N	594.492	4.259	5	40	KIBB	
COc1ccc(N2C(=O)[C@@H]3[C@@H]4C(=O)Oc5cc(C)ccc5C4=C[C@@H](c4ccc5c(c4)OCO5)[C@H]3C2=O)c([N+](=O)[O-])c1	408731318	JSEBKHKQNWKVND-BEVIMSPHSA-N	554.511	4.162	5	40	KIBB	
CCc1nnc(NC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)s1	408748479	AVBKMYPALCIAGS-UHFFFAOYSA-N	526.581	4.150	5	40	KIBB	
CCOc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc(OCC)c1OCC	12571434	RYUAYBJKGSTMOT-UHFFFAOYSA-N	511.325	4.349	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCSCc1cccc(Cl)c1	20239042	QIROTKZTRSYLOS-UHFFFAOYSA-N	520.032	4.493	5	40	KIBB	
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1	104086863	XOHYHKOUJSHJSM-UHFFFAOYSA-N	580.041	4.308	5	40	KIBB	
CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C	105305989	ALCQFKKSVJWQGU-UHFFFAOYSA-N	548.643	4.435	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224276154	WSWCOEMBWPDSBG-VWLOTQADSA-N	573.071	4.387	5	40	KIBB	
O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12	247345550	UHTBJYZILVMUJT-BJESRGMDSA-N	500.898	4.010	5	40	KIBB	
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2C=Cc4ccccc4[C@@H]32)cc1	248289461	JNQMUKCDYNLRIY-ROXDYWFKSA-N	537.528	4.170	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408729093	CUQUWANMTVFXGV-VLOXRPPESA-N	521.576	4.028	5	40	KIBB	
CCOC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1	9009342	MBXNEMJQEOEWPR-QFIPXVFZSA-N	500.558	4.294	5	40	KIBB	
CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1	14276914	CNKPXQXAVJUORC-UHFFFAOYSA-N	507.572	4.040	5	40	KIBB	
O=C(Cc1csc(Nc2nc(=S)[nH]c3ccccc23)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20646175	IBCOWQCOZRUDAI-UHFFFAOYSA-N	507.601	4.292	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSCc2ccccc2F)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	100081795	HYKOUJIARHMVSS-UHFFFAOYSA-N	547.630	4.296	5	40	KIBB	
Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	100350350	NBWPDRYWZKCFPP-UHFFFAOYSA-N	512.343	4.066	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1	105500695	ARJQRAVOLMOUDG-RISWYLRJSA-N	586.582	4.407	5	40	KIBB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222871352	MHXLSQOGODODGZ-FQEVSTJZSA-N	570.643	4.261	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223400033	TUWGBFZGBUJQGY-QDPGVEIFSA-N	610.733	4.233	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223523178	VHYYQDBKZCKGGH-HSZRJFAPSA-N	566.680	4.166	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408642348	MWSBBGMQVPUZNG-UIOOFZCWSA-N	612.551	4.304	5	40	KIBB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1OC	408918911	QNEYDJPBVZFDKX-VCHYOVAHSA-N	598.371	4.386	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c2=O)=N1	409038566	PIRKGVXXJCTMNJ-MFUBYVTQSA-N	556.040	4.457	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1OC	409101342	XVUKAWVQVOESBW-XQNWCSQWSA-N	602.669	4.289	5	40	KIBB	
Cc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2	9169005	AVLLOZMOWISSQX-UHFFFAOYSA-N	519.517	4.157	5	40	KIBB	
Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	19941642	LBFNQSMAQGIVBJ-AREMUKBSSA-N	528.617	4.066	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225138725	JYZPUZJXMIHHNN-HHHXNRCGSA-N	566.680	4.432	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	260972872	ADKUCGFGVFOVBF-RTWAWAEBSA-N	570.643	4.261	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	409079299	APBDTSHRTSTLGZ-XPCGLTFESA-N	621.469	4.259	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])cc(Br)c4O)c(=O)n32)cc1	409089990	NYSSMZDZFOGLGT-LYRGBEMXSA-N	621.469	4.259	5	40	KIBB	
CCOC(=O)COc1c(Br)cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	409275234	STWHJPNKBOPTCM-GRSHGNNSSA-N	579.381	4.227	5	40	KIBB	
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl	20006497	NIKRKZMQSIUDPX-HXUWFJFHSA-N	503.964	4.094	5	40	KIBB	
Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1ccccc1	22844075	LSSQBGFPTCWPAL-UHFFFAOYSA-N	519.583	4.119	5	40	KIBB	
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4cc(Cl)cc(Cl)c4)[nH]c(=O)c32)cc1[N+](=O)[O-]	40399485	WMHVELRECBQYKM-CQSZACIVSA-N	503.302	4.101	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	197828532	SISQZOLNWGTTKX-UHFFFAOYSA-N	626.669	4.247	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(I)c1O	409269259	AGUCSKGCJWCLFZ-RQZCQDPDSA-N	554.318	4.223	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc(OC)c3OCc3cccc([N+](=O)[O-])c3)C2=O)o1	409399153	GCYKMFUHCWXCNQ-GRSHGNNSSA-N	586.351	4.417	5	40	KIBB	
O=C(CCN1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1)c1ccc([N+](=O)[O-])cc1	3491382	YFSHCQYJBVXADS-UHFFFAOYSA-N	551.246	4.243	5	40	KIBB	
COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	106020026	SJQIXTWVYSFGBX-UHFFFAOYSA-N	553.637	4.289	5	40	KIBB	
CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223482542	PPFQHSLXCWKONM-DEOSSOPVSA-N	617.124	4.356	5	40	KIBB	
COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)CC1	21579834	LXKYMRSNKRIUTF-UHFFFAOYSA-N	524.961	4.480	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)[C@@H](C)Oc1ccccc1	103628822	CFUDTFKINGJNBZ-NWEBBCFBSA-N	514.582	4.226	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225257790	MAKRPWLNYAKQKK-INIZCTEOSA-N	522.396	4.078	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408647775	VOLQKAPYGALWGN-JSRBVGTNSA-N	569.570	4.475	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1	408731188	LDAXUSYTEAXBOB-ASZNLBCTSA-N	585.638	4.403	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1	408732211	PLKFUGPKAATNSG-JYWRCUDFSA-N	518.378	4.122	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(N2CCOCC2)cc1	409147252	XQYJBGJUBHWLHS-HZHRSRAPSA-N	534.550	4.366	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)cc2)cc1[N+](=O)[O-]	409275751	WNJAPJNLPPDHBG-QFEZKATASA-N	593.639	4.292	5	40	KIBB	
O=C(CSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1)Nc1ccc([N+](=O)[O-])cc1	409335172	KCPJMVIDGKUWSK-BKOMJCAWSA-N	506.565	4.247	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N\C(=O)c1ccccc1Br	102811331	FWCHZSHUJGHCBI-KRUMMXJUSA-N	567.440	4.145	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225138633	ZFCNNAXZBDBMQN-HHHXNRCGSA-N	566.680	4.432	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1	408830181	YHBNSCJVHMGFCU-VLOXRPPESA-N	586.464	4.176	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409090950	RWAZTJLIAJLNLA-RGFRMHDHSA-N	602.669	4.289	5	40	KIBB	
CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C	409355225	CIAGTFWMTCPVSR-IBGZPJMESA-N	502.984	4.235	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C2=O)o1	409400362	PGPWDPUWIPFHCE-ODLFYWEKSA-N	603.325	4.251	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	8399913	KYGGDJQAMCHPBI-XGLZOBASSA-N	671.570	4.477	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@H]1c1ccccc1	8443169	HBMRHWPAOVJWLV-XXMKCSCWSA-N	529.574	4.275	5	40	KIBB	
COc1ccc(O)c(C(=O)c2cnn(-c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[N+](=O)[O-])c2)c1	102248377	RPWNMTBEICMRQL-UHFFFAOYSA-N	528.930	4.180	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)Cc1ccc(OC)cc1	103628838	AXBBWVGQADKPIW-QVTSOHHYSA-N	514.582	4.010	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223530428	GNACUBOKAGAFFL-SANMLTNESA-N	631.549	4.208	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1	408643070	OQOANICVATUKQW-IEBWSBKVSA-N	516.337	4.483	5	40	KIBB	
COc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	409189326	JHMNWYPVPMWBKE-NQWNTVDASA-N	514.446	4.295	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)o1	409195404	PPVILQNLYKJSDK-BUVRLJJBSA-N	564.576	4.375	5	40	KIBB	
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1Br	102766642	SITBJMVEILNJBS-FDFHNCONSA-N	524.327	4.417	5	40	KIBB	
COc1ccc([C@@H]2CC(c3cccc4ccccc34)=NN2C(=O)CN2N=N[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)cc1	102831375	VZQJNOFEEANDLO-GNSPLJBXSA-N	603.595	4.428	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-]	224381266	AWVSFBSHHWGQPF-OAHLLOKOSA-N	512.390	4.479	5	40	KIBB	
COc1ccc(Cl)cc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O	408639656	GPILGRYSUHGDEP-OAHLLOKOSA-N	549.923	4.324	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C4CCN(C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409031789	BEVVKZJTVKOHHF-SJXDCSIJSA-N	634.755	4.312	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409105084	JCNUGXHDJJTIKB-MKWGYRPRSA-N	633.708	4.055	5	40	KIBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21	15997123	FPGFSNILVCQDKB-KEZOAJOQSA-N	514.925	4.402	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)cc1	33827663	VEJLLEOZYHEJOX-XPGKHFPBSA-N	507.502	4.196	5	40	KIBB	
C[C@@H](OC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1	97945596	FBIUMNSNBDXFTQ-GOSISDBHSA-N	532.505	4.168	5	40	KIBB	
CCCCOC(=O)c1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1	408601595	AQPRNUBUADFBPP-UHFFFAOYSA-N	511.556	4.386	5	40	KIBB	
COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1	408621408	MYMGGVSDKSOMQE-UHFFFAOYSA-N	503.964	4.395	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC	408789976	PFCMSBMTABZXRI-XGLZOBASSA-N	570.583	4.152	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409228192	VPIYOKMHPKAIMC-CIAFOILYSA-N	611.405	4.485	5	40	KIBB	
O=C(NN1C(=O)c2ccccc2C1=O)c1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1	33353513	UEFRLPVVUDGEGO-UHFFFAOYSA-N	548.467	4.129	5	40	KIBB	
COc1ccc(CCNC(=O)c2ccc3c(c2)nc(SCC(=O)NC[C@H]2CCCO2)n2c4ccccc4nc32)cc1OC	102744570	CIEKPSSDODLIND-JOCHJYFZSA-N	599.713	4.413	5	40	KIBB	
CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222962644	RGKJAFSKPRNXAP-IBGZPJMESA-N	621.087	4.453	5	40	KIBB	
COc1cc(OC)cc(-c2nc(S/C(=C\c3cc(Br)cc([N+](=O)[O-])c3O)C(=O)O)n[nH]2)c1	408631049	BSFICYASGCNRFW-UUASQNMZSA-N	523.321	4.083	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408639908	GPMIQOOPXUGCSJ-UHFFFAOYSA-N	600.521	4.320	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccccc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	408640411	AYQNLNPSCRBWPY-DSSGHVNRSA-N	567.554	4.251	5	40	KIBB	
Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408650292	ATFYGSWNORZDNJ-HNNXBMFYSA-N	519.897	4.316	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccccc2)cc1	408659167	VSFBJPWFNREBBU-PLQXJYEYSA-N	555.543	4.229	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408734288	WIRDLGFICPMBPD-WYLTYJJASA-N	573.583	4.004	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409105124	JFZOPMRNJCJSHS-NULZLWRNSA-N	632.695	4.298	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)Nc4ccc(CCO)cc4)cc3c3ccnc2c31	8792171	FORMWGOFVXFDRU-UHFFFAOYSA-N	523.545	4.161	5	40	KIBB	biogenic
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1	103102295	WFHPQVSAXOHOIW-UHFFFAOYSA-N	533.946	4.243	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)cc1[N+](=O)[O-]	105315925	YWCLABXLDUISNW-UHFFFAOYSA-N	533.610	4.083	5	40	KIBB	
O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1cc2c(cc1Cl)OCO2	106738902	MAPJIKPYGZFZJG-UKWGHVSLSA-N	503.920	4.050	5	40	KIBB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222634709	QUOPFTLNFNEHHV-NRFANRHFSA-N	552.653	4.122	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1	261029904	WUQAMUDITSHIMV-SSEXGKCCSA-N	622.744	4.377	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc(Cl)cc1Cl	408643424	FWJIUMCHKHOLTH-IAGOWNOFSA-N	502.310	4.093	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409097053	LKVFVOKLNTZLFS-HRIDGTDGSA-N	632.695	4.298	5	40	KIBB	
COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)oc1ccccc12	3351691	FJWDOJIVUQUYEO-ZDUSSCGKSA-N	512.496	4.090	5	40	KIBB	
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	102764471	UFSNNNOBEIVFME-ZFGGDYGUSA-N	539.928	4.325	5	40	KIBB	
O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1I	105637884	KDAJXFDGCXVOAF-UHFFFAOYSA-N	527.274	4.100	5	40	KIBB	
COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n31)c1ccccc1CC2	145537804	RPUKVZDJNVGDSA-BIWBSIMWSA-N	525.586	4.244	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408726662	OYTBLQYNVSIDFE-MIUGUJGPSA-N	615.664	4.303	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1	8437461	YUIZUAVGNNIZDO-PNZYDNNZSA-N	547.564	4.414	5	40	KIBB	
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1Br	97955280	SITBJMVEILNJBS-FKBYEOEOSA-N	524.327	4.417	5	40	KIBB	
O=C1[C@H]2[C@@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	106019329	OOYIYJUIOLYHID-OYUWMTPXSA-N	571.567	4.414	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)cc1	408662281	XPXUWTJIFSRQMF-CLJLJLNGSA-N	605.625	4.086	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(O)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409097987	ONHXPQWHAPPINE-KLKBWYFJSA-N	647.735	4.449	5	40	KIBB	
COC(=O)c1ccccc1NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409136652	SMHPYKLZMIEVAP-UHFFFAOYSA-N	547.973	4.186	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1F	409400005	NANNRFWJLPXUOJ-GRSHGNNSSA-N	539.472	4.184	5	40	KIBB	
O=C(OC[C@@H](O)[C@@H](O)[C@H](O)C(SCc1ccccc1)SCc1ccccc1)c1ccc([N+](=O)[O-])cc1	4990461	DHRPASIRUCDCDZ-SMIHKQSGSA-N	529.636	4.027	5	40	KIBB	
CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC[C@H]3CCCO3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	101404886	VRRDXWRTCKCXKD-NAKRPHOHSA-N	579.606	4.132	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NN(c3ccccc3)[C@H]2C1=O	103519840	RSNFWRSXIRZHGG-IFMALSPDSA-N	521.327	4.148	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222466986	VPXULTNOYRKBJP-HHHXNRCGSA-N	566.680	4.431	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	222532666	KUPMDKMPRZFPJB-NDEPHWFRSA-N	610.733	4.090	5	40	KIBB	
CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223777617	OMLFVUYLSPUZAA-QFIPXVFZSA-N	553.081	4.046	5	40	KIBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224678191	DRNZSDKWDYDMBO-OAQYLSRUSA-N	582.654	4.405	5	40	KIBB	
COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1I	409275093	YGVWSMSOLKQDFO-MFOYZWKCSA-N	524.292	4.127	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	96297359	LAWHJOWCNVZMAM-VJBWXMMDSA-N	509.902	4.317	5	40	KIBB	
CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)CC2)cc1	105393781	KYIUDWVWRFNFMI-UHFFFAOYSA-N	543.624	4.209	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(Br)ccc3Cl)CC2)c([N+](=O)[O-])c1	408575479	VCUJOYAVLHMMSD-UHFFFAOYSA-N	555.838	4.024	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(Oc4ccc([N+](=O)[O-])cn4)cc3Br)C2=O)o1	409399775	MCYGSYNEOLUWNP-APSNUPSMSA-N	573.312	4.026	5	40	KIBB	
O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22827666	ROBVLMHWBJTYIU-UHFFFAOYSA-N	504.012	4.202	5	40	KIBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cc(Br)c(O)c(Br)c1	32116351	DMPSFUKCINMTHO-SNAWJCMRSA-N	501.156	4.352	5	40	KIBB	
COc1ccc(CCn2c(=N)c(S(=O)(=O)c3ccc(Br)cc3)cc3c(=O)n4cccc(C)c4nc32)cc1	101341255	OFBZNSLKHPKHBJ-UHFFFAOYSA-N	579.476	4.284	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225395602	XJANODMGWKSTAP-DHIUTWEWSA-N	626.732	4.448	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2C=Cc4ccccc4[C@@H]32)sc(C)c1C	247808673	BEEMOXPCOZCOQX-UARRHKHWSA-N	557.584	4.458	5	40	KIBB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3OC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	409239527	NQDGAIMXIBXOGW-HYARGMPZSA-N	546.536	4.113	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1NC1C2CC3CC(C2)CC1C3	9892478	NKDDBKXKMNCOJF-UHFFFAOYSA-N	514.623	4.481	5	40	KIBB	
COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1	59331510	QMBGGIBRUPXBQH-UHFFFAOYSA-N	517.571	4.064	5	40	KIBB	
COc1ccccc1N1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ccc2[N+](=O)[O-])CC1	100128410	JNIPAZVTOVEZKR-UHFFFAOYSA-N	572.087	4.094	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408649588	YJQMKIIRLBIZEM-CALCHBBNSA-N	504.326	4.317	5	40	KIBB	
CSc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(I)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408919553	AWTMEPFNOQQPCB-XQJRBFNUSA-N	651.504	4.127	5	40	KIBB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1	409018218	RHEAKJGKYUTFEE-UDWIEESQSA-N	517.454	4.135	5	40	KIBB	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O	409108930	ZOWONYFSBNGDRX-SGEFVQMOSA-N	568.345	4.376	5	40	KIBB	
CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1	8686851	WKZJKQLKIHQPAV-QGZVFWFLSA-N	511.556	4.450	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	101669744	KDQRKIRJGGNYDL-GIWBLDEGSA-N	554.353	4.118	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223218496	VQMIRYMBQQSOEH-RUZDIDTESA-N	505.571	4.067	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225108458	HILLFPNRGFYXMS-MHZLTWQESA-N	566.680	4.432	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(OC)c2)n2c(s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c2=O)=N1	409086136	FRHCXGNLVXAORE-MKWGYRPRSA-N	617.709	4.437	5	40	KIBB	
CCCN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O	409247837	OGNXTHREXCSAIO-WOJGMQOQSA-N	551.337	4.480	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1Cl	6237828	ZDUQXBAPFWDRCS-RQLGBQGVSA-N	535.965	4.230	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223290063	LCRSRCLNIUBINN-NEKDWFFYSA-N	580.707	4.224	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225504296	MDOMHDXQGKIWQH-MHZLTWQESA-N	614.696	4.065	5	40	KIBB	
C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	408645805	IJYAYBYEIINDMW-LZHZSBQWSA-N	516.337	4.339	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(F)cc1	409273836	LWDCQPZIPZTXNZ-MKWGYRPRSA-N	564.639	4.082	5	40	KIBB	
COc1cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc(I)c1OC(C)=O	835789	HBCGJXDJYYHHOZ-UUASQNMZSA-N	542.669	4.131	5	40	KIBB	
COc1ccc(-c2nnc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3[N+](=O)[O-])s2)cc1	39762528	KSBUMKQZNVKAIM-UHFFFAOYSA-N	511.541	4.175	5	40	KIBB	
COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccccc3Cl)c2=N)cc1	101136033	HVATXWKHUVFFAU-UHFFFAOYSA-N	528.012	4.120	5	40	KIBB	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)O[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2OC)cc1Cl	102997428	MEQQEAXNQKWDEX-AWEZNQCLSA-N	624.024	4.267	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c2=O)=N1	409031723	KMZXVXRVWMWSBZ-ASZNLBCTSA-N	585.638	4.294	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409091283	SKLFMQYHLKCKMV-XSZPGNIMSA-N	623.485	4.268	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	409103561	DIPDJROXXXOKEX-WPUHHHFCSA-N	698.539	4.484	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(I)cc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	409136603	RYIZXRFMBUFTOC-UHFFFAOYSA-N	611.414	4.359	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	409160779	IYOGKMDKTBNLMV-XGLZOBASSA-N	647.735	4.282	5	40	KIBB	
CC(C)OC(=O)c1c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2c1CC[C@H](C)C2	12546911	DHGYHRQNRXODPG-KRWDZBQOSA-N	500.621	4.107	5	40	KIBB	
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1	23182088	ZDHXSNGJHGAXFO-SBUREZEXSA-N	504.609	4.026	5	40	KIBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1	100375498	AYEJSSMDSTZCJD-UHFFFAOYSA-N	529.280	4.340	5	40	KIBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223873586	PGODRFPYEPUPIH-NRFANRHFSA-N	582.654	4.405	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	260952396	KCPNSIIBNQLLGC-SJORKVTESA-N	573.499	4.308	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc(Cl)cc1Cl	408644486	RNCJXIHHLVEKDU-JYKFVMEGSA-N	540.359	4.195	5	40	KIBB	
Cc1ccc(NC(=O)COC(=O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1[N+](=O)[O-]	408675524	BEDGFPDYKLTLJG-UHFFFAOYSA-N	535.123	4.295	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OCc4ccccc4)c(OC)c3)c2=O)=N[C@H]1c1cccc([N+](=O)[O-])c1	408729621	CUKBSABMQOLOEH-FUFNRSNVSA-N	585.638	4.403	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408733587	LEAWMGLWKXEAQB-AFHVAHMMSA-N	539.953	4.213	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)c1Oc1ccc([N+](=O)[O-])cn1	409399459	IUBISNBEJDVFMJ-MFOYZWKCSA-N	542.888	4.307	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ccccc4)o3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	103603293	UBRPLIXXZQRGMC-VOZFUJEASA-N	547.614	4.451	5	40	KIBB	
O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	105303795	PKEUGXSVWGNEDB-UHFFFAOYSA-N	543.518	4.118	5	40	KIBB	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(I)cc1	105650589	KCJNQNHRIFONKF-ZRDDSIGQSA-N	522.298	4.076	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223431754	LBQUKTORACFQJZ-JOCHJYFZSA-N	582.679	4.132	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)c(=O)n2[C@@H]1c1ccccc1OC	408727652	VEFRAIKEVLOQDA-NULZLWRNSA-N	615.664	4.303	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	150439058	PFHQEYNZYKXJQZ-UWRMONIRSA-N	660.617	4.144	5	40	KIBB	
O=C(Nc1nnc(CCSCCc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	253565316	HPCPJSXAYFRKTK-UHFFFAOYSA-N	676.631	4.045	5	40	KIBB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1	408671022	RUIHSZPMTJJCRN-CYBMUJFWSA-N	524.755	4.162	5	40	KIBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1	409110843	YYVNNCUKPNWPAP-UHFFFAOYSA-N	558.616	4.401	5	40	KIBB	
CS(=O)(=O)CC[C@@H](C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409176617	SPAZHHLVKUTSHE-UPVQGACJSA-N	619.435	4.468	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409177270	GIMOZSQCXNVSAT-JAYSWQADSA-N	588.598	4.492	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1	409269260	AGZUYEZPTCEDFQ-HRIDGTDGSA-N	618.712	4.452	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cc1	6260492	NIYIYWXKHVZLIR-LBPRGKRZSA-N	553.471	4.006	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCOc2ccccc2Cl)cc1)S(C)(=O)=O	224855771	ZKKNTQQLQSRAHI-UHFFFAOYSA-N	517.991	4.332	5	40	KIBB	
CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1	260975113	JYFGWQKLHBODLL-MUUNZHRXSA-N	596.681	4.199	5	40	KIBB	
O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)OCc1ccccc1[N+](=O)[O-]	408648910	CVOMDRYMUNCVAO-LSSDNNNWSA-N	537.355	4.231	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1ccccc1	100062032	KYFUZTFZFVBVRG-CRCYZHLCSA-N	616.608	4.416	5	40	KIBB	
Cc1nn(-c2cc(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12	100342431	MPBGJFBRWAITDV-UHFFFAOYSA-N	555.616	4.266	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1c(-c2c(F)cccc2Cl)noc1C	101176821	NFKBPYRQZSVJHZ-MKFPQRGTSA-N	593.999	4.359	5	40	KIBB	
CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1	105317062	BGVCTOFBRBRQLA-UHFFFAOYSA-N	527.990	4.304	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1	105500690	ARJQRAVOLMOUDG-LMSRTUJASA-N	586.582	4.407	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21	229597644	JIELLSOSXQTUFY-KEZOAJOQSA-N	559.376	4.386	5	40	KIBB	
CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccccc1Br	408603384	GHHBMBAKYVXQNI-CSKARUKUSA-N	531.319	4.145	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3OC)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12	409098860	MJYBIHMUUUYVHY-KYRGTEIWSA-N	616.696	4.191	5	40	KIBB	
COc1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O	105315418	RNXCQUAPEAZIHG-UHFFFAOYSA-N	560.588	4.340	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222823031	FJBRWMJZHRCZRP-NDEPHWFRSA-N	626.732	4.448	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037982	ZBRLLQAEFRJTJG-IVRZUQNJSA-N	718.697	4.358	5	40	KIBB	
CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(I)cc2)n[nH]1	409156758	PACLRVVHDOZDAQ-GOSISDBHSA-N	580.408	4.175	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc3c(c2)OCO3)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c2=O)=N1	409269261	AGZUYEZPTCEDFQ-NULZLWRNSA-N	618.712	4.452	5	40	KIBB	
COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4ccc(C)cc4)CC3)ccc2[N+](=O)[O-])CC1	8816245	FEGJIHMGVZEOLB-UHFFFAOYSA-N	515.614	4.201	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1	35401478	QNVXLWFJYVQGKA-UHFFFAOYSA-N	515.935	4.253	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1	105484434	VNSZAWBOGALCQA-AWYKWWOESA-N	541.626	4.334	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223740399	UIFFPTGXGHVDIK-RBISFHTESA-N	598.697	4.363	5	40	KIBB	
CCN1C(=O)/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(I)c2)NC1=S	409004932	CJGWHDMLJWWVNW-SXGWCWSVSA-N	635.221	4.461	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3nc(C)cc(O)n3)c(=O)n2[C@H]1c1ccc(SC)cc1	409106734	UASRWBVYCVBIHX-MLJBDGAYSA-N	635.749	4.384	5	40	KIBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12	9356679	FPGFSNILVCQDKB-LWSSLDFYSA-N	514.925	4.402	5	40	KIBB	
COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	20153073	CMQADBWMEOQZGV-UHFFFAOYSA-N	510.572	4.473	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1c(OCC)ccc2ccccc12	103001587	CNFQMCRDTDLPDT-MEKWAHPISA-N	566.614	4.298	5	40	KIBB	
CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	103014567	GYXBIIYFQVZGJV-UHFFFAOYSA-N	546.646	4.036	5	40	KIBB	
Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3O)oc2c1	112231186	HREGRXJRXPPAJA-UHFFFAOYSA-N	533.566	4.380	5	40	KIBB	
CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@H](c1cc(OC)c(OCc3ccccc3)cc1[N+](=O)[O-])N=2	408732636	SVLNWFOMHUTGAF-PLQXQRLBSA-N	551.621	4.155	5	40	KIBB	
NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCC(=O)c2ccccc2)n2c4ccccc4nc32)CC1	2970656	UVKUFWQHPZQZTO-UHFFFAOYSA-N	523.618	4.348	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12	9088429	OFSSHTWKXANFPL-LWSSLDFYSA-N	514.925	4.277	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc(-c2ccccc2)cc1	100820950	GVPJHEKENXEVIG-XWXMXUMOSA-N	548.599	4.413	5	40	KIBB	
CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3cc(Cl)cc(Cl)c3)[nH]c(=O)c21	102356356	GGFWXKUTTGYDKP-AWEZNQCLSA-N	533.328	4.192	5	40	KIBB	
COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br	102884746	RJTYUCOHLBWUEK-FKBYEOEOSA-N	569.324	4.325	5	40	KIBB	
CCOC(=O)C1=C(COC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1cccs1	103091306	XXJRVIXSYVBTLS-VBURHUQHSA-N	542.614	4.167	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222376505	OWQURISEZGNIEI-HXUWFJFHSA-N	603.097	4.232	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1	224020261	OYVZMDWITHZWPO-QFIPXVFZSA-N	594.690	4.275	5	40	KIBB	
CC(C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224681076	VHDCMUCKSSXCAV-FQEVSTJZSA-N	617.522	4.495	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Cl)ccc2OC)n2c(s/c(=C/c3cc(I)c(O)c([N+](=O)[O-])c3)c2=O)=N1	409041796	VQZCDGHBWSNLHK-WYWXSHKMSA-N	683.908	4.459	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OCC)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409140226	GPQDAFVYIZCFSU-NWKGEQBZSA-N	616.490	4.185	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4cc([N+](=O)[O-])ccc4F)o3)c(=O)n2[C@@H]1c1ccccc1	2110256	BUDGQLDEOCKMOC-CBYYHRJHSA-N	563.563	4.018	5	40	KIBB	
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	20076490	OVNHXPSOJXCYJS-UHFFFAOYSA-N	511.966	4.011	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c2=O)=N1	104677147	LFOWWIPOUZGWDN-LWUPDDLQSA-N	565.648	4.324	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222846678	JJODPNZEGJYDJD-PMERELPUSA-N	616.696	4.185	5	40	KIBB	
Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)c2ccc(Br)cc2C1=O	408663027	NIOAUZCUXVUNDO-HNNXBMFYSA-N	564.348	4.425	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408733654	NYRDTYYDCKSYSU-ZSJKCPIUSA-N	559.600	4.284	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12	9015708	ICJHQWJPYHPIFN-LWSSLDFYSA-N	514.925	4.277	5	40	KIBB	
CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OC[C@@H]3CCCO3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	101404881	VRRDXWRTCKCXKD-LSYYVWMOSA-N	579.606	4.132	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408643427	FWJIUMCHKHOLTH-IRXDYDNUSA-N	502.310	4.093	5	40	KIBB	
Cc1ccc2c(c1)OC(=O)[C@@H]1C2=C[C@H](c2ccc3c(c2)OCO3)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12	409333211	ILDSYQPSQHCAGJ-CRERUNJKSA-N	538.512	4.462	5	40	KIBB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1	4091906	PQZCDQSCJVQSTE-LJQANCHMSA-N	523.615	4.237	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	8832994	PWYKALSMRUOOJW-UHFFFAOYSA-N	504.012	4.202	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2ccc(OC)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	101110581	CGLCSKROTDAUSH-JVCXMKTPSA-N	502.571	4.074	5	40	KIBB	
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3OS(=O)(=O)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	102558645	SOCZUBKHWHVTLQ-KWXIBIRDSA-N	571.567	4.414	5	40	KIBB	
CCCCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC	150389833	KLUPCHLJSSTZOR-UHFFFAOYSA-N	632.721	4.371	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc([N+](=O)[O-])c1O	215206664	MYXMONSVZOAIBY-OVCLIPMQSA-N	512.281	4.150	5	40	KIBB	
CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1N1CCOCC1	408605886	NHKPJIMWMYXTBS-PKNBQFBNSA-N	508.531	4.314	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408642423	DVGUFILYQGGJOY-CALCHBBNSA-N	502.310	4.093	5	40	KIBB	
O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O)NCc1cccs1	2967743	DMCWCVDVHACOOD-FQEVSTJZSA-N	505.581	4.255	5	40	KIBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCCCOC(C)C)cc3c3ccnc2c31	8792194	CDNUTYUFOUJTAS-QGZVFWFLSA-N	517.582	4.308	5	40	KIBB	biogenic
COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)N2C=Cc4ccccc4[C@@H]32)cc1	101099943	QXBJMINUKGUESN-NDBXHCKUSA-N	544.951	4.411	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224991630	PDVAFKSIMRBTDU-QFIPXVFZSA-N	612.705	4.059	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260933439	HYKGLBWJSPIOAA-VXKWHMMOSA-N	582.679	4.131	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccc2c(c1)OCCO2	409205439	CNODCPPIGYHJQO-NHDPSOOVSA-N	534.506	4.228	5	40	KIBB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	409388492	KJHWFFDTUMFXOL-UHFFFAOYSA-N	503.964	4.129	5	40	KIBB	
Cc1ccc(C(=O)NC(=S)Nc2c(Br)cc(Br)cc2C(=O)O)cc1[N+](=O)[O-]	100008952	ZMWGUHWFBJZXSU-UHFFFAOYSA-N	517.155	4.253	5	40	KIBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3c(O)c(Cl)cc(Cl)c3Cl)CC2)c([N+](=O)[O-])c1	102799210	RLOATKXDWGYJRO-UHFFFAOYSA-N	565.863	4.254	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)Nc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	409062964	DQBIHODFZYPVKV-SPLCHINYSA-N	672.716	4.131	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCC(C)CC4)c(=O)n32)cc1	409271429	CVCBJTINALZRPG-XQNWCSQWSA-N	590.702	4.340	5	40	KIBB	
COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1F	8857527	IELTWNYBYJVGSQ-GOSISDBHSA-N	514.579	4.427	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	222736946	LQOQLAHAFRNFFW-NDEPHWFRSA-N	598.697	4.221	5	40	KIBB	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1	408685532	LJYZJGLDFWJEHN-BUUDZMLXSA-N	527.533	4.464	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	409155976	JPTJRGIESWKFAO-HMAPJEAMSA-N	583.600	4.355	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)C2=O)o1	409403176	ZCQUJPWTILQYTG-NVMNQCDNSA-N	529.864	4.439	5	40	KIBB	
CC1(C)C[C@H]2C[C@@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O	9128932	JWRZZLCHFOAEFJ-XJJVGQGTSA-N	502.571	4.190	5	40	KIBB	
O=C1[C@@H]2[C@@H](N=NN2CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Br)cc1	102831157	MBMNHMNTGOJCPM-GPXOXTDOSA-N	602.405	4.028	5	40	KIBB	
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc(C(=O)OC)c1C	105306077	LPLJWNVQZWBRNH-UHFFFAOYSA-N	534.616	4.045	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12	247310091	ICJHQWJPYHPIFN-QPXUXIHVSA-N	514.925	4.277	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](Cc2ccccc2)C(=O)NC2CCCC2)c1	260924656	AJJQZLXMTUPEOZ-GDLZYMKVSA-N	608.717	4.068	5	40	KIBB	
COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n21	408938630	AVSIFNOYAUUTEE-YOGOOIESSA-N	714.332	4.176	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	409025443	UZUXXPMUPHJVBC-UHFFFAOYSA-N	523.926	4.239	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OCc3ccc(Br)cc3)C2=O)o1	409400799	QZRDRROFTSEFAH-ODLFYWEKSA-N	556.325	4.409	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	2148472	YFNXYBUWXMYLSY-YNMQQHPQSA-N	585.638	4.294	5	40	KIBB	
O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCN(c2ccccc2)CC1	9860239	JTCURFXIEZURRM-UHFFFAOYSA-N	516.609	4.264	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccccc2C(F)(F)F)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	106020158	RPAMPFCXGRWSGA-UHFFFAOYSA-N	539.488	4.465	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	163763487	ZBFKFYWVPJYIQI-KCQXITDRSA-N	630.591	4.136	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222956109	HQFFDTKSWMKTPG-QFIPXVFZSA-N	552.653	4.124	5	40	KIBB	
COc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])cc2)cc1	408648691	YEDWQFDWOUYIAH-UHFFFAOYSA-N	523.498	4.305	5	40	KIBB	
CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408731618	ODEGFJZMUHKJFO-HSZRJFAPSA-N	511.556	4.396	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=N1	409029698	AKENAKLVHSTLNM-RQLGBQGVSA-N	586.464	4.258	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c2=O)=N1	409050539	WTVZEFFQTRKAES-YNMQQHPQSA-N	585.638	4.294	5	40	KIBB	
CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)C1=O	409196940	SUOWUHUYPGYYBM-SYZMQFJCSA-N	564.594	4.058	5	40	KIBB	
O=C(N=P(N1CCOCC1)(N1CCOCC1)C12CC3CC(CC(C3)C1)C2)c1ccccc1[N+](=O)[O-]	12491766	YYLOAZBWPIWXRU-UHFFFAOYSA-N	502.552	4.399	5	40	KIBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225324692	REDZWWIIFWBMRH-OAQYLSRUSA-N	573.499	4.310	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(OC(=O)c2cccs2)cc1	408649088	XGOLPCAMMVVHDK-RYGRLOLMSA-N	597.605	4.169	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	409141153	MGJWZPIDGRVVIP-RQLGBQGVSA-N	593.712	4.326	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccccc1Cl	8425872	QIYCBFFNQUZHQR-FJWZAKCXSA-N	535.965	4.230	5	40	KIBB	
COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C=Cc3ccccc3[C@@H]21	101165739	RNFZWLJSTLRXID-NDBXHCKUSA-N	544.951	4.411	5	40	KIBB	
COc1ccc(-n2c(=O)c3ccc(C(=O)NCCc4ccccc4)cc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1	101432575	NSXFIDQENIIAAG-UHFFFAOYSA-N	550.571	4.090	5	40	KIBB	biogenic
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223310666	CGYBVUVQCZTRJZ-DEOSSOPVSA-N	525.989	4.412	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224794889	CEVKWMSVJPZEQT-OAQYLSRUSA-N	603.525	4.256	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	260964442	HRXVFROKZKPDHX-GDLZYMKVSA-N	622.744	4.377	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261060350	NPBVWRGQWMTWGK-FIPFOOKPSA-N	610.733	4.233	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSC2CCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	409027892	VBLZNWAXSZUAGD-UHFFFAOYSA-N	521.661	4.289	5	40	KIBB	
COc1ccccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1=O	1316371	RNFZWLJSTLRXID-ZYQDXHPFSA-N	544.951	4.411	5	40	KIBB	
COc1ccc(OC)c(-n2c(CNC(=O)c3cccc([N+](=O)[O-])c3C)nnc2SCC(=O)Nc2ccc(F)cc2)c1	100840294	UHJDZHAUFZKYEU-UHFFFAOYSA-N	580.598	4.301	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	225257753	MAKRPWLNYAKQKK-MRXNPFEDSA-N	522.396	4.078	5	40	KIBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2)CC1=O	408638990	DQRAILBMALWIFC-GOSISDBHSA-N	596.390	4.397	5	40	KIBB	
Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408640614	JQIDMXIOHJADIK-HNNXBMFYSA-N	564.348	4.425	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSCc2cccc(C)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408923005	IGMYGQWHNIUHFT-UHFFFAOYSA-N	543.667	4.465	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c2=O)=N1	409039616	HDUJONWTUFIRRO-XXMKCSCWSA-N	529.574	4.275	5	40	KIBB	
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225118794	XJLKRTOBBXXLJH-RUZDIDTESA-N	558.701	4.234	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4ccc(-c5ccc(C)c([N+](=O)[O-])c5)o4)c(=O)n32)cc1OCC	408936797	GCEBEXJGHSGYFC-ROVVGBDQSA-N	589.626	4.292	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C4CCN(C)CC4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409031788	BEVVKZJTVKOHHF-OBDCIHEFSA-N	634.755	4.312	5	40	KIBB	
O=C(NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1O)c1ccc(Cn2cc(Br)cn2)cc1	2110578	YBZONRGROOPZHN-UHFFFAOYSA-N	510.757	4.088	5	40	KIBB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(OC(F)(F)C(F)F)c(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	3142792	NREKBJQZTPVPBZ-UHFFFAOYSA-N	574.355	4.341	5	40	KIBB	
COC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	12342347	KYKCNWVSKHFWMC-UHFFFAOYSA-N	522.945	4.250	5	40	KIBB	
CCCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC	101186341	FEIXJYOIIGFHJV-DSITVLBTSA-N	503.511	4.443	5	40	KIBB	
COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccccc3Cl)c2=N)cc1OC	101344962	MQOKNCSKDMHWBF-UHFFFAOYSA-N	558.038	4.128	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222615099	TWTPBAPVBMBEAR-AREMUKBSSA-N	570.643	4.261	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224232671	BIWAHBHEIJUCGU-AREMUKBSSA-N	552.653	4.042	5	40	KIBB	
CS(=O)(=O)N(Cc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl	224938721	HSWLYLTWJFBDDS-UHFFFAOYSA-N	521.954	4.162	5	40	KIBB	
COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O	225435479	DKVPAWSVBLZESS-DQEYMECFSA-N	564.649	4.338	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1C=Cc3ccccc3[C@@H]21	248113666	OPHQUYPJAKIGPB-FQUZAXHOSA-N	524.489	4.210	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1	408643072	OQOANICVATUKQW-MJGOQNOKSA-N	516.337	4.483	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@@H]1c1cccs1	408827261	IJLGFRDINLJKNI-QCHPHUCNSA-N	535.603	4.336	5	40	KIBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1	409126561	CPDMUIGGZHEPKN-UHFFFAOYSA-N	509.375	4.174	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)ccc1OC	2633567	DZYAPAVMSBCGQJ-UHFFFAOYSA-N	539.522	4.080	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(C[C@H](O)CN(CC(C)C)CC(C)C)S(=O)(=O)c1ccc(C)cc1	9075750	NYDMYCZHVOSNEC-JOCHJYFZSA-N	507.653	4.082	5	40	KIBB	
O=C(Nc1nc(-c2ccccc2)cs1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	15981939	ZOOBZOJAKUDSMW-UHFFFAOYSA-N	506.993	4.411	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	101102835	SOMDIKTXTLEFOO-JVCXMKTPSA-N	531.569	4.282	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	223924956	JIJJGDVYRQRNEC-KRWDZBQOSA-N	585.510	4.452	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260953828	KGDPNHNAXWNBQO-AOMKIAJQSA-N	573.499	4.390	5	40	KIBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl	409127265	CEFMZKLXNRGSOI-UHFFFAOYSA-N	509.375	4.174	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C/c3cc(Br)ccc3OC(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2=O)o1	409408637	KJCLFYYWXWRYOC-ULWMDWKDSA-N	596.346	4.449	5	40	KIBB	
Cc1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cccc1-c1nn2c(C)nnc2s1	105306228	BZMSXBLFKZYCGK-UHFFFAOYSA-N	536.643	4.495	5	40	KIBB	
O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)OCc1ccccc1	408997223	CWMJBFLYGXRLPZ-DEOSSOPVSA-N	534.521	4.139	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)sc2c1CCCC2	950837	FIYGEGLBLLMZJD-VABKMULXSA-N	533.562	4.373	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1Cl	1787677	BYGRCQHXAQHEIT-GJFKPFFXSA-N	580.018	4.246	5	40	KIBB	
CCOC(=O)[C@@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N12	8837473	BGGHYNLSYCAQES-AZOUXBGGSA-N	517.925	4.354	5	40	KIBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br	102759252	ZVLJIPOFYVHUDN-DNVJHFABSA-N	538.354	4.413	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1	408676424	DBFZQVUEFQBGTH-CGMOUXERSA-N	583.597	4.002	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408729445	FJWSZXIIBVCXLB-CBYYHRJHSA-N	529.574	4.275	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-]	408729761	CNACBHNQKXIROT-FCVOFCDTSA-N	631.663	4.117	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c2=O)=N1	409036256	BFPDGVWLSKDYHC-CSJROMOCSA-N	555.612	4.286	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4ccc(C(=O)O)cc4)c([N+](=O)[O-])c3)C2=O)o1	409399734	LFKQLQVIEQTXSY-NVMNQCDNSA-N	600.334	4.107	5	40	KIBB	
O=C(OCC(=O)N(C[C@@H]1CCOC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1	14167289	CPUZOTBUEHGDDF-NSHDSACASA-N	510.343	4.452	5	40	KIBB	
CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	19941495	KPQRGJHPIOUMTO-VWLOTQADSA-N	530.633	4.096	5	40	KIBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl	102707313	SYSIFMNHLYTTJH-HWPZZCPQSA-N	549.820	4.372	5	40	KIBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1	197340405	XQLBEEOOHZBSRJ-UHFFFAOYSA-N	582.624	4.207	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccs1	408772531	MQKVMLZEKARBSR-QARYAGPDSA-N	591.667	4.356	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	8443267	KCYXCVURNCFMTE-DUBROFONSA-N	659.483	4.216	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1	35176300	RRKRNLAIQOITDK-ZDUSSCGKSA-N	518.983	4.090	5	40	KIBB	
COc1ccc(NC(=S)NC(=O)c2cc(Br)cc(Br)c2OC)cc1[N+](=O)[O-]	105314507	PQHMEYTXCVVONQ-UHFFFAOYSA-N	519.171	4.264	5	40	KIBB	
O=C(NC(=S)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	105353201	URHZJCHJDHLTRP-UHFFFAOYSA-N	545.946	4.242	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1	138907687	PVJKBBSYDJJEGO-YJBOKZPZSA-N	516.337	4.483	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222467887	FKBKKXNKCMDUTO-HXUWFJFHSA-N	603.097	4.232	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223246670	NJVQHZJWHBXVPJ-OAQYLSRUSA-N	570.643	4.263	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224757004	JWTPLBCNSSCWQD-HSZRJFAPSA-N	596.706	4.359	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1	408650380	MLLSYZQZSAJNCG-PTRUDAKASA-N	581.581	4.394	5	40	KIBB	
CSc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cc(I)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	408919552	AWTMEPFNOQQPCB-RZXXJPOTSA-N	651.504	4.127	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1	409132589	QOPSPFWXTQEQAA-UHFFFAOYSA-N	520.361	4.200	5	40	KIBB	
COc1ccc(OC)c(-c2csc(N(CCCN(C)C)C(=O)COc3ccc([N+](=O)[O-])cc3)n2)c1	6878625	QQKWRKIAJAVBCW-UHFFFAOYSA-N	500.577	4.099	5	40	KIBB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c(=O)c(-c4ccc([N+](=O)[O-])cc4)c(C)oc3c2)cc1	8691501	RUUZMHMJARZKEC-INIZCTEOSA-N	522.535	4.257	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccc(OC)cc1)C(C)C	107914403	JKFVMACLUKUKDK-JOCHJYFZSA-N	526.619	4.381	5	40	KIBB	
COc1ccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224497423	DMMGQXZYOBONES-DEOSSOPVSA-N	610.733	4.339	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	261031588	XJANODMGWKSTAP-PKTZIBPZSA-N	626.732	4.448	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409095997	JACJAJPKKHYDPC-KMBIYUNPSA-N	633.708	4.055	5	40	KIBB	
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc3c(=O)c(-c4ccc([N+](=O)[O-])cc4)c(C)oc3c2)cc1	8691502	RUUZMHMJARZKEC-MRXNPFEDSA-N	522.535	4.257	5	40	KIBB	
COc1ccccc1N1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	59844818	DJFPLNXOMUTYKI-UHFFFAOYSA-N	589.070	4.118	5	40	KIBB	
CCCCn1/c(=N\C(=O)c2cccc(C(F)(F)F)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	100820850	MBTUYRORBLEJMT-VAMRJTSQSA-N	512.488	4.386	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409182919	PJZCHXAHRLUHGU-UHFFFAOYSA-N	534.934	4.307	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O	409228434	YUCVYHIHTMKYID-WQRHYEAKSA-N	541.314	4.157	5	40	KIBB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224286344	QROIXQDNPKOROL-NRFANRHFSA-N	570.643	4.119	5	40	KIBB	
COc1ccccc1[C@H]1c2sc(=O)[nH]c2S[C@@H]2[C@H]3C[C@H]([C@@H]12)[C@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]31	256055756	SASMKRFOAOLSTI-GSXIQEMTSA-N	535.603	4.031	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261090226	TUWGBFZGBUJQGY-LXFBAYGMSA-N	610.733	4.233	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(OCC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	408832325	RWRGGGBOSPLVOH-CVGPFBNFSA-N	616.490	4.266	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409144612	LEBDRVUCCWDZNF-BUVRLJJBSA-N	591.602	4.302	5	40	KIBB	
CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O	409244088	XKVKYBRGYNZZPJ-GZTJUZNOSA-N	507.284	4.081	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)C2=O)o1	409400914	VCAPMNGBCQHMQU-GRSHGNNSSA-N	586.351	4.417	5	40	KIBB	
C[C@H](OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	15979425	OHLSXGXNIWPXTD-OAGGEKHMSA-N	523.995	4.099	5	40	KIBB	
Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O	32124795	OFNWOOMPJQDAIU-NVMNQCDNSA-N	507.977	4.316	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1[N+](=O)[O-]	105353059	XYWUSFTZQGZOJV-UHFFFAOYSA-N	520.892	4.040	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-]	224381216	AWVSFBSHHWGQPF-HNNXBMFYSA-N	512.390	4.479	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225300275	JCZNITOOWVUOMO-IAGOWNOFSA-N	573.499	4.308	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261048542	LNGYVJALSCOVKG-ZBLYBZFDSA-N	614.696	4.063	5	40	KIBB	
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)cc1[N+](=O)[O-]	408921141	FETLUSYPWUMXBU-UHFFFAOYSA-N	526.390	4.267	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(COc4cc([N+](=O)[O-])ccc4F)o3)c(=O)n2[C@H]1c1ccccc1	2110252	BUDGQLDEOCKMOC-PNZYDNNZSA-N	563.563	4.018	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccccc4[N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1	2148463	YFNXYBUWXMYLSY-ASZNLBCTSA-N	585.638	4.294	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1	100305250	NNKYXTATLRASCM-CSJROMOCSA-N	585.638	4.294	5	40	KIBB	
COc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)c(OC)c1	100824142	CRFLUYWWNKVIBC-UHFFFAOYSA-N	523.523	4.158	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1ccccc1	103862473	MJCYBGIZLLHFDK-OBVMJLIASA-N	606.454	4.312	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	261044558	ZCVMSYJRJSJKFC-GOTSBHOMSA-N	626.732	4.448	5	40	KIBB	
COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	409182315	KOEXSZHTCZGSDP-VWLOTQADSA-N	507.455	4.398	5	40	KIBB	
CC[C@@H](C)n1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	3307522	SKHDLNYDDRPIDZ-QGZVFWFLSA-N	517.633	4.138	5	40	KIBB	
CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	4173930	IGNGLCCXNLJZNA-PCLDUBMHSA-N	538.556	4.238	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)N1CCN(c2ccccc2)CC1	8875273	UIZPFOSWIWSNFU-XQNSMLJCSA-N	518.551	4.240	5	40	KIBB	
COc1cc(OC)cc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)CC2)c1	8903443	AHVFRPJYHNZMHY-IZZDOVSWSA-N	516.554	4.226	5	40	KIBB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1	26964873	IQDRVQZURSEFLS-UHFFFAOYSA-N	524.526	4.184	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1	107024183	MUYQMPORSGJMLT-XXMKCSCWSA-N	529.574	4.275	5	40	KIBB	
CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224995277	AOXRHFFYJRMHGR-SANMLTNESA-N	631.549	4.288	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225552351	UTEURXNKDLWYSC-PMERELPUSA-N	600.697	4.485	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408730723	UPBCNZAQEGAORJ-MFUBYVTQSA-N	610.442	4.435	5	40	KIBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1OC(C)C	409012514	ILWRMNVMTIEZTP-RGFRMHDHSA-N	603.653	4.380	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409081259	GSTOCTIERBAIQI-GTWFGUSFSA-N	641.544	4.468	5	40	KIBB	
O=C1[C@H]2N=NN(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Br)cc1	101076263	MBMNHMNTGOJCPM-ZKMPZPQNSA-N	602.405	4.028	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1c(OCC)ccc2ccccc12	103001585	CNFQMCRDTDLPDT-YRQZVPSCSA-N	566.614	4.298	5	40	KIBB	
COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	103012212	UPZZLXPKLQAICM-UHFFFAOYSA-N	581.651	4.093	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222420907	NKFPVCIITZCCMI-HHHXNRCGSA-N	566.680	4.431	5	40	KIBB	
CCN1C(=O)/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)N(C)C1=S	409031956	HRAHVNJSQAWSGH-YVLHZVERSA-N	506.378	4.365	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O	409269459	BWGLRXVJBPLYCM-BKUYFWCQSA-N	536.522	4.474	5	40	KIBB	
O=C(CSc1ncccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cn1	215713647	GIEUYIULTGRJTE-UHFFFAOYSA-N	520.445	4.174	5	40	KIBB	
C[C@]1(O)CC(=O)[C@H](C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OCc1ccccc1	253562757	DQRIUOCJJJQXIQ-VZTVMPNDSA-N	517.534	4.121	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@H](Cc1ccccc1)C(=O)NC(C)C	260902151	VBPUVMRITGTBNG-MUUNZHRXSA-N	580.707	4.142	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	260929237	KDYNMQOCCOGZCR-MUUNZHRXSA-N	598.697	4.221	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1	408643074	OQOANICVATUKQW-PKOBYXMFSA-N	516.337	4.483	5	40	KIBB	
Cc1ccc(NC(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-]	408683799	NOYOSBWFQJMXLL-AUZHQEEXSA-N	567.598	4.302	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1cccc(OC)c1	408998987	RAWMDFABZUXVOC-WDONWYDGSA-N	636.480	4.321	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c(OC(C)C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033478	LWVJIODIPVFFDF-JEYMYLTASA-N	718.579	4.207	5	40	KIBB	
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C1CCN(Cc2ccccc2)CC1	1877109	STHHMEFBLYHIME-QCENPCRXSA-N	549.631	4.426	5	40	KIBB	biogenic
Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cccc1[N+](=O)[O-]	14277139	DWOJCUOOAQNKTQ-UHFFFAOYSA-N	507.591	4.491	5	40	KIBB	
O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	21124484	VYTTTZKTFOTSPN-UHFFFAOYSA-N	505.497	4.048	5	40	KIBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223726405	PGHLXDURCWXXSI-JOCHJYFZSA-N	564.664	4.266	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409100409	NCRKNEXXVMYOOV-DDBFQISPSA-N	633.771	4.409	5	40	KIBB	
COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ncccc4[N+](=O)[O-])c(OC)c3)C2=O)cc1	409164263	FSXSFLNLCJHLBB-BKUYFWCQSA-N	536.522	4.474	5	40	KIBB	
O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(I)cc1)C2=O	3196072	VZKXSSSXLCFTIV-UHFFFAOYSA-N	514.231	4.219	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223356435	JJJSAYODFVFZMC-XMMPIXPASA-N	525.989	4.412	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	260890733	LKKWUMBVZJTLLE-VXKWHMMOSA-N	552.653	4.122	5	40	KIBB	
COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1	409187900	CQHBISIYZOXNHO-ODLFYWEKSA-N	534.477	4.193	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O	409377456	IGNOUMZCCYUTKO-RTWAWAEBSA-N	577.329	4.385	5	40	KIBB	
COCCn1c(=N)c(-c2nc(-c3ccc(Cl)cc3)c(NC(C)=O)s2)cc2c(=O)n3cc(C)ccc3nc21	102621525	QBQDGCVTEWIXBW-UHFFFAOYSA-N	535.029	4.486	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)C1=O)Nc1ccccc1	106709774	IXKJHXGGUHMXJT-FBHDLOMBSA-N	548.489	4.397	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222817324	CWVMBPLCMFJGPT-DEOSSOPVSA-N	623.515	4.062	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223053735	BSEJRWKIXAYHQR-QHCPKHFHSA-N	566.680	4.432	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224656817	ZEZCPYHBMAUEEY-NRFANRHFSA-N	600.669	4.188	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224791903	IEAVYBSKLVCUKS-QFIPXVFZSA-N	573.499	4.247	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408650305	MHGDNXSOCOWMAQ-LQBPYSJUSA-N	582.525	4.343	5	40	KIBB	
COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(O)c([N+](=O)[O-])c4)c(=O)n32)c1	408770655	ZWMOACNHRDNVOZ-MFUBYVTQSA-N	668.469	4.101	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4ccccc4Cl)c([N+](=O)[O-])c3)C2=O)o1	409398033	BEVQIGVLJILJOD-ZDLGFXPLSA-N	511.874	4.300	5	40	KIBB	
C[C@H](OC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	3298670	MRAHQHDJMWNTAZ-ZDUSSCGKSA-N	558.956	4.287	5	40	KIBB	
COc1cccc(CNC(=O)COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)c1	8792242	UMCQZJJZRSKVBM-UHFFFAOYSA-N	523.545	4.313	5	40	KIBB	biogenic
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	9891950	PSVJYOOAAJSHBZ-LPYMAVHISA-N	516.510	4.022	5	40	KIBB	
CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1	20528917	HYNOQRAUPJRYKD-UHFFFAOYSA-N	530.025	4.032	5	40	KIBB	
CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224437120	AJIHHVBTKRZYGN-AREMUKBSSA-N	661.575	4.298	5	40	KIBB	
CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224681151	IJFXUADENHKOTR-HXUWFJFHSA-N	617.522	4.495	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	2148482	UMDHZCLMEYDAPI-ASZNLBCTSA-N	585.638	4.294	5	40	KIBB	
CCC(=O)Oc1c([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc(OC)cc1[N+](=O)[O-]	8453142	JMIGFPGHLXXROX-HSZRJFAPSA-N	525.543	4.327	5	40	KIBB	
COc1ccc(CCn2c(-c3cc(OC)c(OC)c(OC)c3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1	8836313	HJUDWXTYNPYNPG-UHFFFAOYSA-N	527.577	4.193	5	40	KIBB	
CCCCOc1ccc(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2Cc2ccco2)cc1	103001552	NRLARBXZIBLORF-MXNGAVTRSA-N	540.576	4.387	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3c(C)n(CC)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	108949032	RLRSAAIDZDXFLT-GVMLUORFSA-N	544.633	4.298	5	40	KIBB	
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	163622388	OEFFVYUAXOTMOT-BAPRJRNISA-N	632.798	4.370	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	163670235	CDKXRBSSAJPMIG-UPWSPCOFSA-N	646.634	4.424	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225298403	YYHGWSXKWMOXQS-NRFANRHFSA-N	573.499	4.310	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H]5C=C[C@H]([C@H]4C3=O)[C@@H]3C[C@@H]53)cc2)c1	408639570	FYZXTVSHHAASAI-NPFIHWEYSA-N	621.602	4.116	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408765438	VZEYMBZSVGMSGM-SCRHHBKZSA-N	666.506	4.329	5	40	KIBB	
COc1ccc(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1	409140864	GJTKVYHCNVLNFG-UHFFFAOYSA-N	549.989	4.416	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl	409389671	IFENZCLALMMIET-UHFFFAOYSA-N	501.948	4.326	5	40	KIBB	
O=C(NC(=S)Nc1ccc(I)cc1C(=O)O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	100007442	COFPOGVDOUZMIT-UHFFFAOYSA-N	537.291	4.284	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC	103781376	FUPVYDWIAJCSDN-XGLZOBASSA-N	543.576	4.383	5	40	KIBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2cc([N+](=O)[O-])c(-c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c([N+](=O)[O-])c1	104203603	DMTYFMCLOWAMIO-UHFFFAOYSA-N	551.318	4.440	5	40	KIBB	
COc1ccc(N(CC(=O)NCc2cccc(CN3CCCC3)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224601482	RTFLYTXVBSYSQV-UHFFFAOYSA-N	552.653	4.019	5	40	KIBB	
CS(=O)(=O)N(Cc1ccc(C(=O)NCCOCc2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1Cl	224938038	ATDSGNAAJINHJG-UHFFFAOYSA-N	517.991	4.161	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C)S(C)(=O)=O	260982556	LKILDUNERQGUDO-AREMUKBSSA-N	614.696	4.063	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	409141141	MGJWZPIDGRVVIP-FJWZAKCXSA-N	593.712	4.326	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(-c2ccc(Br)cc2)o1	16429499	ROKFFCVHJNGUSR-UHFFFAOYSA-N	515.389	4.454	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	44884190	MXZZYGNFMKTENG-KRWDZBQOSA-N	501.536	4.124	5	40	KIBB	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	97955106	UFSNNNOBEIVFME-IMSXRSKXSA-N	539.928	4.325	5	40	KIBB	
COc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(Br)cc3)cc3c(=O)n4cccc(C)c4nc32)cc1	101341189	ROCXMYYIKHJQPE-UHFFFAOYSA-N	565.449	4.089	5	40	KIBB	
COc1ccc(CCNC(=O)CCCn2c(SCc3ccc([N+](=O)[O-])cc3)nc3cc4c(cc3c2=O)OCO4)cc1OC	102755661	SGESFNQABQOHAB-UHFFFAOYSA-N	606.657	4.482	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1	33682860	WNVJUELXZXXABB-UHFFFAOYSA-N	506.334	4.419	5	40	KIBB	
CS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1	100825741	ICMLFCIOFRUVGS-QFIPXVFZSA-N	535.003	4.160	5	40	KIBB	
CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	103017428	IFPNDIYXTYNPFR-UHFFFAOYSA-N	526.527	4.497	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	409097688	GZTUEHAINHUTMP-RLGZEVEKSA-N	698.577	4.427	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@H]1c1ccc(SC)cc1	8399940	NJVAMEOSYQSKIV-ASSGYOTOSA-N	578.716	4.419	5	40	KIBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1N1CCc2ccccc2C1	100134352	ASIFMFMQNQTRCV-UHFFFAOYSA-N	557.470	4.431	5	40	KIBB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	224279009	ITOWEFYFBCPURY-LHLOQNFPSA-N	521.595	4.115	5	40	KIBB	
CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225143521	XMEGUPLAUAUIJZ-XMMPIXPASA-N	565.092	4.271	5	40	KIBB	
COc1ccc(N(CC(=O)N[C@@H](C)CCc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408629894	JVOXKJCCMVFYMS-FQEVSTJZSA-N	511.600	4.245	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Sc4ncccn4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	409100045	UMDSYJDQFKHVBW-RWTNITNYSA-N	624.100	4.310	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Sc4nc(C)cc(C)n4)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1	409145970	PHZMAKBSIHTABS-AQIZGWBQSA-N	605.673	4.404	5	40	KIBB	
Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c([N+](=O)[O-])cc1C	12566466	HLTKKYKRQAIYPA-SFHVURJKSA-N	523.567	4.147	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	17750479	LAWHJOWCNVZMAM-ZRBLBEILSA-N	509.902	4.317	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1	97965083	WWRLQDNGXUMIBG-RFOBQAQLSA-N	618.687	4.251	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	222485476	DTCPTIOXYQAUQO-HSZRJFAPSA-N	511.962	4.022	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408642346	MWSBBGMQVPUZNG-IZZNHLLZSA-N	612.551	4.304	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4Sc4ncccn4)c(=O)n32)cc1	409094557	FRSJJZDCWSGOFL-XSZPGNIMSA-N	603.682	4.045	5	40	KIBB	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)ccc1Cl	409151143	GTPXTTGSLCLJNO-APSNUPSMSA-N	510.311	4.363	5	40	KIBB	
COc1ccc(CCNC(=O)CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)cc1OC	409333677	IHLHIQGGPMYSIO-UHFFFAOYSA-N	578.628	4.473	5	40	KIBB	
O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(S(=O)(=O)Nc2ccccc2)cc1	3044937	CMOLNHCMNGXWHE-UHFFFAOYSA-N	518.463	4.258	5	40	KIBB	
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	4125310	ZHTSDODJIKBOBX-UHFFFAOYSA-N	508.579	4.056	5	40	KIBB	
COc1ccccc1NC(=O)[C@H](C(C)=O)C(c1cccc([N+](=O)[O-])c1)[C@H](C(C)=O)C(=O)Nc1ccccc1OC	5004768	XIBXJFLWWAOOMP-ZVBBVAIHSA-N	547.564	4.383	5	40	KIBB	
O=C(COC(=O)C1CCC(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1)c1cccc([N+](=O)[O-])c1	8722281	NCNMQMAVIGDEFK-UHFFFAOYSA-N	505.310	4.483	5	40	KIBB	
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)n2-c2ccccc2)cc1	11852248	FBRJDPIQUFBJMZ-UHFFFAOYSA-N	532.582	4.153	5	40	KIBB	
C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)C12CC3CC(CC(C3)C1)C2	15981370	DADKSMVCYQSVNY-LJQCHSNASA-N	510.056	4.370	5	40	KIBB	
COc1ccc(CCNC(=O)COc2ccc3c(c2)c2ccnc4c5ccc(OC)c(OC)c5c(=O)n3c24)cc1OC	70708213	JEXCQZBHRIODQP-UHFFFAOYSA-N	567.598	4.364	5	40	KIBB	biogenic
O=C(Nc1ccc(I)cc1C(F)(F)F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105321149	SGLFEXWBPYNAMA-UHFFFAOYSA-N	521.233	4.307	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225329950	SBGAWSSPWJRZGB-MUUNZHRXSA-N	610.733	4.234	5	40	KIBB	
CC[C@H](NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc2c(c1)CCCC2	260924446	HVJLZXCCYLZWKF-VXKWHMMOSA-N	503.621	4.294	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@H]4C3=O)c2)c1	408678560	BQYGDICNCSYNIM-CTUHWIOQSA-N	557.559	4.472	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCC3)c(=O)n2[C@@H]1c1ccc(OC)c(Br)c1	409085324	ZEHGAJNPHVMXLY-LWUPDDLQSA-N	627.517	4.078	5	40	KIBB	
COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1	2345801	MQWAIZJUSZVKJB-BKKFENPESA-N	525.517	4.010	5	40	KIBB	
CCCC12CN(C(=O)c3ccc([N+](=O)[O-])cc3)CC(CCC)(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C1)C2=O	9040960	NQFQQFBSNPYGRH-UHFFFAOYSA-N	522.558	4.257	5	40	KIBB	
CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(SCCO)c([N+](=O)[O-])c3)C2=O)c1	32124606	KYYBOVLZXDBYDK-ZDLGFXPLSA-N	505.599	4.076	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224523958	UBFAIHNOIWMADW-MHZLTWQESA-N	566.680	4.370	5	40	KIBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1	224631483	HIUKKPQHGNDBII-NDEPHWFRSA-N	610.733	4.233	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc(Cl)cc1)N1N=Cc3ccccc3[C@@H]21	248140440	PMDRROAUXZSIKJ-UARRHKHWSA-N	530.924	4.018	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261044579	ZDNGAWZLWKLTQE-CVEARBPZSA-N	589.498	4.008	5	40	KIBB	
CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cc(Cl)ccc1OC	408603237	FGRVUNFVGDKUTF-WEVVVXLNSA-N	516.894	4.045	5	40	KIBB	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1	408685248	LBKHYHBQEFFWAD-QTLGCAHFSA-N	527.533	4.464	5	40	KIBB	
COc1ccccc1-n1c(SCC(=O)N[C@H](Cc2ccccc2)C(C)=O)nc2cc([N+](=O)[O-])ccc21	12603241	RDMVYBTXIYVXPI-HXUWFJFHSA-N	504.568	4.351	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	12624489	IHQNKKHDJHRLSX-MBSDFSHPSA-N	521.526	4.011	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4C)C(=O)[C@@H]3[C@H]3C=Cc4ccccc4N23)cc1OC	100818701	RIMILGZKTRPGBM-YFVWJHKLSA-N	539.544	4.193	5	40	KIBB	
COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC	102883696	FAQNPEIKAMSWSM-VJBWXMMDSA-N	554.899	4.225	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223356498	JJJSAYODFVFZMC-DEOSSOPVSA-N	525.989	4.412	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	224830708	PNCSFYJLYKUKAF-LJAQVGFWSA-N	622.744	4.377	5	40	KIBB	
COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O	225435593	DKVPAWSVBLZESS-JWQCQUIFSA-N	564.649	4.338	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225508091	OYENUZNAHAQKEL-WJOKGBTCSA-N	630.723	4.493	5	40	KIBB	
CN1C[C@H](c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408563470	AKZRGUMWQJDJCS-VPHKFGTKSA-N	553.369	4.458	5	40	KIBB	
COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408566654	OIGLHQDAYDALLZ-FODJJAHYSA-N	538.944	4.358	5	40	KIBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc2)cc1	59885125	NJIOVFOAQVBEBV-UHFFFAOYSA-N	596.643	4.238	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	111470303	FYXCXZKMIRFDHL-CBYYHRJHSA-N	547.564	4.414	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1Cl	408662403	XZVVURPZHTVONS-FJAKRLOMSA-N	516.337	4.173	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408754727	HJJQLPUCWFFRKO-ARLGEPFESA-N	713.506	4.171	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1cc(OC)c(OC)cc1Br	408767281	FKWRRUQNWMKYCX-YRSDHNRQSA-N	744.598	4.254	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(O)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409097996	ONHXPQWHAPPINE-LKWZWFHSSA-N	647.735	4.449	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(I)c(OCC)c(OCC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409160843	JNIMLLLWLSBQQX-JGTYQCAFSA-N	677.517	4.417	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1cccs1	409273942	ANKQTXAMHDSLRZ-NLZIUFDSSA-N	552.678	4.004	5	40	KIBB	
CC(=O)N(c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2[N+](=O)[O-])cc1)c1cc[n+](C)cc1	1755300	MBVXOEAZCXBBIG-UHFFFAOYSA-O	536.524	4.157	5	40	KIBB	
O=c1oc2cc(S(=O)(=O)N3CCCCCC3)ccc2c2ccc(S(=O)(=O)N3CCCCCC3)cc12	8754440	HRPVPGFMDURCBY-UHFFFAOYSA-N	518.657	4.076	5	40	KIBB	
CCOC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(=O)OC)=NN2c2ccccc2[N+](=O)[O-])S1	9075583	ICBYBZNBEBFEMA-JOCHJYFZSA-N	500.558	4.294	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)sc2c1CCCC2	97986528	FIYGEGLBLLMZJD-ZRBLBEILSA-N	533.562	4.373	5	40	KIBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl	102707310	SYSIFMNHLYTTJH-QLJPJBMISA-N	549.820	4.372	5	40	KIBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	103549258	WBRWTURFOHAIIR-VPBXCIAMSA-N	528.952	4.398	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	150439065	PFHQEYNZYKXJQZ-QVPVGFNESA-N	660.617	4.144	5	40	KIBB	
COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](Cc2ccccc2)C(=O)NC(C)C)ccc1[N+](=O)[O-]	224953357	DMGQJIPWGOFKNG-VWLOTQADSA-N	523.561	4.286	5	40	KIBB	
CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225207787	UJXSHKRXIZHGFQ-DEOSSOPVSA-N	562.664	4.065	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1ccccc1)C(C)C	409156088	RIXFWXUJVZFGPX-OAQYLSRUSA-N	512.592	4.073	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)sc2c1CCCC2	950843	NRMQXNDENAVQLR-ZRBLBEILSA-N	533.562	4.373	5	40	KIBB	
COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)oc1ccccc12	3351692	FJWDOJIVUQUYEO-CYBMUJFWSA-N	512.496	4.090	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccccc1	100062034	KYFUZTFZFVBVRG-FQKMCRJQSA-N	616.608	4.416	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)Cc1cccc2ccccc12	103629014	OGGTWXKMDXYZRZ-IYOYZZHUSA-N	532.556	4.290	5	40	KIBB	
C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223101720	RPCBDYNIDHVARC-JOCHJYFZSA-N	566.680	4.165	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2OC)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c2=O)=N1	409100970	WEWZUTXEKSANCC-ASSGYOTOSA-N	617.709	4.437	5	40	KIBB	
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1	23182010	NUCQDKDVZIWTNN-SBUREZEXSA-N	504.609	4.026	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)c1ccccc1C	103629587	SHNRKKCZFCJMSH-MXNGAVTRSA-N	506.562	4.118	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O)N1CCCC1	408553405	YSGDBKHDCRGHBC-UDWIEESQSA-N	593.399	4.437	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC(C)C	408826741	KQSVSUGROCZLHL-RQLGBQGVSA-N	542.013	4.147	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1C	409349360	QDQHEBGRBMCDBG-AWEZNQCLSA-N	502.984	4.390	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc2ccccc12	9028289	LMTIFEQZNVFCOH-GJFKPFFXSA-N	513.575	4.168	5	40	KIBB	
COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-]	101195671	ISSDIPITAAKRBO-UHFFFAOYSA-N	554.028	4.346	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@H]3[C@@H]2C1=O	103899223	PMDRROAUXZSIKJ-LWSSLDFYSA-N	530.924	4.018	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223682228	LNGYVJALSCOVKG-JIPXPUAJSA-N	614.696	4.063	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224674326	QRXIKNUBAGKJIP-JOCHJYFZSA-N	552.653	4.042	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225060890	ISYFUPLIVHSTJR-XZOQPEGZSA-N	566.680	4.431	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224947495	JWIGLDBEDVLVQF-MUUNZHRXSA-N	580.707	4.412	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	261102437	WIYKUCAARCIKKM-DFHRPNOPSA-N	598.697	4.363	5	40	KIBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	408639456	XDFHJVVUHVXVGH-QGZVFWFLSA-N	505.439	4.074	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccn4-c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1	409041259	UIKXEDBSCJWMGM-CSJROMOCSA-N	572.643	4.284	5	40	KIBB	
COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCc5ccccc5C4)C3=O)o2)c([N+](=O)[O-])c1	409274011	SYQLDCQBJWCXSZ-YDZHTSKRSA-N	519.535	4.485	5	40	KIBB	
CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)scc12	11757991	SJBHSHFANNUARY-UHFFFAOYSA-N	528.930	4.446	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1	100306712	XBVFMZIGEXMOGU-CSJROMOCSA-N	555.612	4.286	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(-c2cccc(Cl)c2)o1	105524382	WTOPIBGKTFAPKI-UHFFFAOYSA-N	556.044	4.182	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	409147533	MQDWUFHLLZWPCL-UHFFFAOYSA-N	513.572	4.371	5	40	KIBB	
O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	109043875	HXCRSJWACUWOAV-UHFFFAOYSA-N	522.606	4.446	5	40	KIBB	
COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(OC)c2O)C1=O	408881024	LGEYKGQWDOAWHR-SOFYXZRVSA-N	527.433	4.011	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408933964	BWWGIXDUYDOWEY-IZBTWGKQSA-N	583.981	4.378	5	40	KIBB	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccc(Cl)cc2)c(OC)c1	102912260	LJQNYGCQFZJHGA-YTFSRNRJSA-N	509.902	4.317	5	40	KIBB	
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)cc1C	408663031	NJCJMEVGRWTOCN-GOSISDBHSA-N	513.506	4.279	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)c(O)c([N+](=O)[O-])c4)c(=O)n32)cc1	409079296	APBDTSHRTSTLGZ-MGSPXPDISA-N	621.469	4.259	5	40	KIBB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409090573	RIGVEJHITIARPW-NNLQFVHNSA-N	598.371	4.385	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409178650	MKBKEVCROVSKDB-ZDGAQAAHSA-N	574.571	4.183	5	40	KIBB	
C[C@@H](O)CO[C@H](C)CO[C@H](C)CO[C@H](C)CO[C@H](C)CO[C@H](C)CO[C@H](C)CO[C@H](C)C[N+]1(Cc2ccccc2)CCOCC1	4416438	CUFCDCINRRYJKH-YIRVTRDQSA-N	642.895	4.250	5	40	KIBB	
COc1ccc(N(S(=O)(=O)c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	12621734	ALWOWFXFMGUJTM-UHFFFAOYSA-N	510.977	4.458	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])[C@H]3C2=O)cc1	18165267	BJUJRUBMXKWMAE-DSITVLBTSA-N	519.510	4.062	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccc(Cl)cc1Cl	101034909	BLZLEGIFSILFMA-WMMMYUQOSA-N	543.407	4.219	5	40	KIBB	
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc2OC)cc1Cl	102997431	MEQQEAXNQKWDEX-CQSZACIVSA-N	624.024	4.267	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1	163745655	SGKCNPPCEADJLS-AFHVAHMMSA-N	633.464	4.140	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224783555	SEFYFKWUTAWYSY-FQEVSTJZSA-N	573.071	4.387	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	248133453	YDJOMMZUXPHZHJ-ZYQDXHPFSA-N	524.489	4.210	5	40	KIBB	
CC(=O)Nc1c(I)cc2c(c1I)Cc1cc([N+](=O)[O-])ccc1-2	4991419	LBSFRXLHGZJYQB-UHFFFAOYSA-N	520.064	4.334	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	408685931	QJOZPWIOQBHGDI-ZNZDAUKMSA-N	500.895	4.135	5	40	KIBB	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-]	409368232	PYPLDPZCLQAQDU-ZRDDSIGQSA-N	520.295	4.142	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1	1795523	NLMASEVYVASCCN-VZIOXZNFSA-N	535.965	4.230	5	40	KIBB	
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8833022	PKGRFHUOXWRGMA-UHFFFAOYSA-N	503.540	4.366	5	40	KIBB	
COc1ccc(CCNC(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2ccccc2OC)cc1OC	12591827	ZCFGCFVWRUYELK-UHFFFAOYSA-N	522.583	4.411	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-]	59331804	WOTLXOFKMIPYKG-UHFFFAOYSA-N	519.627	4.443	5	40	KIBB	
CCc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(OC)c(OC)c3OC)C2=O)cc1	102763424	RADCEGHLIMOCJX-JCYRPKCISA-N	533.537	4.234	5	40	KIBB	
O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105306529	FLAHFXBRKJSNAH-UHFFFAOYSA-N	529.962	4.057	5	40	KIBB	
CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222421900	JICFSAGTRLKYDX-FQEVSTJZSA-N	603.097	4.232	5	40	KIBB	
CC[C@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223363719	RGKIXIWUUJVAER-LAUBAEHRSA-N	521.636	4.466	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224523830	XUSUHNCKQNSXDS-MHZLTWQESA-N	566.680	4.370	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409035510	PWPBRCAWILZFAJ-GORIGYSASA-N	687.727	4.236	5	40	KIBB	
CC(C)OC(=O)c1c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc2c1CC[C@@H](C)C2	12546912	DHGYHRQNRXODPG-QGZVFWFLSA-N	500.621	4.107	5	40	KIBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1	197884472	FYCPICBTCXQOCL-UHFFFAOYSA-N	537.627	4.299	5	40	KIBB	
Cc1ccc(-c2nnc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)s2)cc1	225753105	IOFPWEJHVTWZLR-UHFFFAOYSA-N	509.569	4.256	5	40	KIBB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3Cl)c2=O)=N1	408974051	WLBYULQIJIYGSF-DLBLZJNESA-N	530.993	4.436	5	40	KIBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	6289391	HUNHWWSJLMXWSM-NDENLUEZSA-N	506.496	4.466	5	40	KIBB	
COc1c(C[C@H](C)OC(C)=O)c2c3c(C[C@H](C)OC(C)=O)c(OC)c(=O)c4c(O)cc5c(c6c(cc(O)c(c1=O)c62)OCO5)c43	85602760	AAWYBWDUDOICBF-STQMWFEESA-N	618.591	4.041	5	40	KIBB	
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)c1ccc([N+](=O)[O-])c3nonc13)CC2	100081918	DQARLXAFVVPTDP-KRWDZBQOSA-N	534.525	4.316	5	40	KIBB	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c(OC)c1OC	101222259	JKHDSYGWXDPJOK-LGVFNWMJSA-N	539.928	4.325	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1OC	163634750	ISUDJFUINWQRFF-YRSDHNRQSA-N	646.634	4.424	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224533540	JJSKRAYMIMIILM-MHZLTWQESA-N	612.705	4.059	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(Cl)cc1Cl	408644489	RNCJXIHHLVEKDU-YPKJATJDSA-N	540.359	4.195	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1	14135575	MTUZKGUKANSSGF-UHFFFAOYSA-N	518.389	4.495	5	40	KIBB	
CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC	18083881	FEIXJYOIIGFHJV-GVAUOCQISA-N	503.511	4.443	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])N(c3ccccc3)O[C@H]2C1=O	102758623	QWUODKRCDPQNSH-ISJGIBHGSA-N	519.510	4.062	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C)S(C)(=O)=O	222569878	OVTAGDANMZPARB-NDEPHWFRSA-N	610.733	4.090	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222846612	JJODPNZEGJYDJD-SSEXGKCCSA-N	616.696	4.185	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408665976	ZTNIIWJKRGXYMY-FJAKRLOMSA-N	516.337	4.173	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@H](c5ccccc5)C[C@H]4C3=O)c2)c1	408678565	BQYGDICNCSYNIM-WUMKDDEVSA-N	557.559	4.472	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1	409035047	IVGARUWNSJPBEJ-ABBNRAPFSA-N	572.643	4.284	5	40	KIBB	
CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409129587	GUVKPQLDSJZSPZ-JTSKRJEESA-N	510.620	4.303	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(N2CCOCC2)cc1	409195897	RYAAYJDFTKHVAU-GRSHGNNSSA-N	537.381	4.413	5	40	KIBB	
Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CCCOC(=O)c1cccc([N+](=O)[O-])c1	2364245	QSTOWBWSHPTHJI-UHFFFAOYSA-N	531.550	4.155	5	40	KIBB	
COc1cc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC	2746869	ZNLSZGRCHWANKD-QFIPXVFZSA-N	557.357	4.295	5	40	KIBB	
O=C(NC(=S)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccccc1[N+](=O)[O-]	105317508	IGLWMKUNFXDHGD-UHFFFAOYSA-N	530.031	4.399	5	40	KIBB	
CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224859744	SWLJNNIUDDQQPA-SANMLTNESA-N	587.098	4.179	5	40	KIBB	
Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)c1	408637821	AGPDUELAYNOPAK-SFHVURJKSA-N	513.506	4.279	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C	3258726	ACISRDAXLCKHOT-OAHLLOKOSA-N	531.518	4.036	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NN(c3ccccc3)[C@@H]2C1=O	100851231	GPEIUVFPXJHHIO-IRLDBZIGSA-N	505.328	4.448	5	40	KIBB	
COc1ccc(N(CC(=O)NCCOc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	223594877	WTOGDHSMUFKWNA-UHFFFAOYSA-N	549.605	4.456	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224318558	PKHVGXYFVUDOPI-RUZDIDTESA-N	573.071	4.387	5	40	KIBB	
CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224490175	ZWRIUTLJIPSPGZ-QHCPKHFHSA-N	566.680	4.022	5	40	KIBB	
O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8833035	QSBLKXIAPQHEEG-UHFFFAOYSA-N	503.540	4.366	5	40	KIBB	
Cc1ccc(NC(=O)[C@H](OC(=O)CNC(=O)c2ccc(Br)cc2)c2ccccc2)c([N+](=O)[O-])c1	103081169	NGRJTTYALWSIMY-JOCHJYFZSA-N	526.343	4.319	5	40	KIBB	
COc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)cc([N+](=O)[O-])c1O	139633330	DYOBHMPSMBIRPW-FJWZAKCXSA-N	517.588	4.003	5	40	KIBB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223126397	AMGNSZRTAQFINV-VWLOTQADSA-N	603.097	4.314	5	40	KIBB	
CN1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12	408563987	BWNMILPUZFOCRH-DVKBMCPXSA-N	553.369	4.458	5	40	KIBB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)cc1Cl	408712520	BWTJGNFIFYAGBS-UHFFFAOYSA-N	567.045	4.071	5	40	KIBB	
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1ccc(Cl)cc1	408838138	RSXBBRASARNQMG-XYMPBJBSSA-N	632.798	4.370	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cc(Br)cc([N+](=O)[O-])c4O)c(=O)n32)cc1	409092332	UOFZUHLYPZHPME-LYRGBEMXSA-N	621.469	4.259	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C1=O)Nc1ccccc1Cl	409247742	NNGZCBDPHABHMI-MKMNVTDBSA-N	559.725	4.233	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccc(Cl)cc1	8400008	DIZCDGDYFQRDDV-PVPFEYIBSA-N	644.153	4.249	5	40	KIBB	
O=C(Cc1ccc(Cl)cc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	33652939	MHVLXYRJNDCEHT-UHFFFAOYSA-N	502.040	4.004	5	40	KIBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222820687	XVTIHGWCQMQGCL-RUZDIDTESA-N	607.516	4.362	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NC1CCCCC1)S(C)(=O)=O	260910177	JXPKPPHYHFYINT-LJQANCHMSA-N	609.543	4.298	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408642905	OGZNKBSBNCCXKC-UHFFFAOYSA-N	639.489	4.167	5	40	KIBB	
C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12	408651686	NUOWHJKKONPMKX-QKAVXHIFSA-N	516.337	4.339	5	40	KIBB	
COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-]	408673527	SPCQBSOUQXXNBI-UHFFFAOYSA-N	637.554	4.095	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409033512	FIJVAQRJTJWVNL-PGNBASISSA-N	717.753	4.245	5	40	KIBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1	409108361	WPSUJQFMXTXWAG-CIAFOILYSA-N	516.510	4.022	5	40	KIBB	
O=C(N[C@@H]1CCCC[C@@H]1Cc1ccco1)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O	34840154	KHPQFBFIBZRUKQ-XANCMCCPSA-N	517.538	4.018	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222740073	TZYNRCNHVMLBJZ-QGZVFWFLSA-N	579.462	4.260	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223191657	GSHDZKCHEDPFOY-HOTGVXAUSA-N	522.396	4.077	5	40	KIBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224830078	BRBBIZAKQCMZCQ-NRFANRHFSA-N	603.525	4.256	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	408679452	FENWJTYUHDUINW-VMDGZTHMSA-N	500.895	4.135	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)c(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408730458	RDAAPNSHCBJAEK-IZBTWGKQSA-N	640.468	4.443	5	40	KIBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C	409135948	VICBHQDDPGKNPS-NRFANRHFSA-N	541.590	4.281	5	40	KIBB	
CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C	409343246	DNUWCOAMXLOPGK-IBGZPJMESA-N	502.984	4.235	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1cc(OC)c(OC)cc1Br	8399910	KYGGDJQAMCHPBI-LXYLXTGBSA-N	671.570	4.477	5	40	KIBB	
O=C1CC(=O)OC(c2ccc(Sc3nnc(Cc4ccccc4)n3-c3ccccc3)c([N+](=O)[O-])c2)O1	59488748	WVFHOKKQCWQDBQ-UHFFFAOYSA-N	502.508	4.406	5	40	KIBB	
COc1ccc(Cl)cc1N(CC(=O)NCCCN1CCCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	215852267	MNHUFMJUGMMXJJ-UHFFFAOYSA-N	553.081	4.143	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223489413	YUYQOUXISHMWAI-QHCPKHFHSA-N	626.732	4.449	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)CC2)c([N+](=O)[O-])c1	408575197	SMYQIHXXPJTYDI-FNORWQNLSA-N	508.358	4.449	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(Br)ccc2OC)n2c(s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2=O)=N1	409031628	JUJQXBVDZOIJKK-QPJBPQEWSA-N	671.570	4.094	5	40	KIBB	
CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	9908032	CXNZBWBSWHLTJU-UHFFFAOYSA-N	509.607	4.156	5	40	KIBB	
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1	23181998	NUCQDKDVZIWTNN-UZUQRXQVSA-N	504.609	4.026	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223534939	WSVWOMVYDJBXKO-XMMPIXPASA-N	610.733	4.483	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224647290	MXNRXDOGVTXIMB-QFIPXVFZSA-N	582.679	4.051	5	40	KIBB	
COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408570103	YYMPKSACQIPVNC-SQOVJYTMSA-N	583.395	4.467	5	40	KIBB	
CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	408690515	VQAIBBPDZNRNJE-UZNKMTRFSA-N	567.598	4.383	5	40	KIBB	
CCOC(=O)C1=C(C(=O)OCC)N(c2ccc(Br)cc2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	71195264	DNGNCVYLEKHAJN-SFHVURJKSA-N	518.320	4.009	5	40	KIBB	
CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc4ccccc4[C@@H]32)cc1	100903409	VEJLLEOZYHEJOX-QYOOZWMWSA-N	507.502	4.196	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	111461314	ZKHDFJVIJOKHQK-ZGOFBEGVSA-N	589.626	4.374	5	40	KIBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224861606	CEQZOYRHXFTLLN-JOCHJYFZSA-N	573.499	4.247	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225060747	DSXMJMURSINCHY-DHIUTWEWSA-N	566.680	4.431	5	40	KIBB	
CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225475278	ZRFCLGFQWIKUKK-HHHXNRCGSA-N	584.670	4.056	5	40	KIBB	
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1	248135123	MQWAIZJUSZVKJB-XPGKHFPBSA-N	525.517	4.010	5	40	KIBB	
COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C(=O)O)o1	408632142	HPTWFLGKQQZVHW-UDWIEESQSA-N	531.978	4.276	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccnc3)c(=O)n2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408734291	WKERQBRMIZWOFP-GSOQPGDSSA-N	550.980	4.015	5	40	KIBB	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3ccc4c(c3)OCO4)[C@@H]2C1=O	101115388	OGDFZUCTTIDXJD-QUMGSSFMSA-N	523.501	4.030	5	40	KIBB	
Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	104145413	UURMZIOFBPYNJE-UHFFFAOYSA-N	529.185	4.282	5	40	KIBB	
CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	138907364	PVJKBBSYDJJEGO-CRAIPNDOSA-N	516.337	4.483	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(Cl)cc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1	138907477	PVJKBBSYDJJEGO-MAUKXSAKSA-N	516.337	4.483	5	40	KIBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223357230	JTVRJHBIXFZOMZ-MRXNPFEDSA-N	589.498	4.010	5	40	KIBB	
CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	409024096	VFLABGLWQVPBPN-OEAKJJBVSA-N	530.537	4.412	5	40	KIBB	
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)sc(C(C)=O)c1C	409136781	VKFNEJNBGXBXOK-UHFFFAOYSA-N	517.589	4.353	5	40	KIBB	
CC(C)[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O	8449578	HFWYHIZJWATVLZ-NGSVVIOZSA-N	538.556	4.238	5	40	KIBB	
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCC2	8833017	TZACPXSNBXVSMX-UHFFFAOYSA-N	502.618	4.439	5	40	KIBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1	108170306	MVNWUMOVNNNFGX-CQSZACIVSA-N	533.010	4.019	5	40	KIBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223043004	MUIVUNMJNMHCHQ-LJQANCHMSA-N	603.495	4.106	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OCC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@H]1c1ccco1	408728979	ACBZBCXRASVQEA-MFCBUNOESA-N	589.626	4.386	5	40	KIBB	
CCCOC(=O)c1cccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1	409169234	OXZBQJNUHKGIEI-NRFANRHFSA-N	540.602	4.138	5	40	KIBB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)NCCc1ccccc1	12565564	OVCAONQKUCZZRI-UHFFFAOYSA-N	508.383	4.456	5	40	KIBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222772317	SYEODVZPPCXYKF-VWLOTQADSA-N	607.516	4.362	5	40	KIBB	
CCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223711577	KEWQCLLJBMDYFC-VWLOTQADSA-N	637.542	4.452	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=C[C@H](C)[C@H]4C3=O)cc2)c1	408663290	YJCZGFLVIQEFQT-RPFZEFQRSA-N	597.580	4.260	5	40	KIBB	
COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(I)c(O)c([N+](=O)[O-])c4)c(=O)n32)c(OC)c1	408975659	BVJHVIJDMIBDTJ-PLQXQRLBSA-N	698.495	4.110	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)Nc4ccc5c(c4)OCO5)C3=O)cc2)cc1[N+](=O)[O-]	409170318	UUDZZAPYUXVOKY-RMORIDSASA-N	597.583	4.075	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	409271095	JAQACISBKLRDOY-BKUYFWCQSA-N	526.571	4.476	5	40	KIBB	
COc1ccc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1[N+](=O)[O-]	35263461	QADXMOZJHFJEGY-UHFFFAOYSA-N	510.915	4.184	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(F)cc1	111470444	PAJZJPKVIVVCIB-PNZYDNNZSA-N	563.563	4.114	5	40	KIBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222859067	YSVYWQOTRXOVTB-MHZLTWQESA-N	582.679	4.131	5	40	KIBB	
CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223126450	AMGNSZRTAQFINV-RUZDIDTESA-N	603.097	4.314	5	40	KIBB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224059230	RJIXMJJRYPYYDA-HXUWFJFHSA-N	570.643	4.261	5	40	KIBB	
CC1=CC[C@@H]2C(=O)N(c3ccc(OC(=O)[C@H]4CC(=O)N(c5ccc(C)c([N+](=O)[O-])c5)C4)cc3C)C(=O)[C@H]2C1	408673520	XEUFKXILMSIVDQ-NYVOZVTQSA-N	517.538	4.016	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1	408691135	YKTIAKBCEWLVCD-NSHXHUPESA-N	597.624	4.392	5	40	KIBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC	408933651	BVURUOSPJBKQEI-BZQABXOYSA-N	645.690	4.311	5	40	KIBB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n21	409019803	XJFUSZASUHGFKR-NBQDTTAVSA-N	689.743	4.328	5	40	KIBB	
O=C(CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O)N1CCOCC1	409134322	OSUMCZKWTHGPKX-BUVRLJJBSA-N	533.562	4.222	5	40	KIBB	
COCCOC(=O)c1c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)sc2c1CCCC2	2084863	OSTWHDMBUXAZKC-UHFFFAOYSA-N	502.549	4.045	5	40	KIBB	
COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c2ccccc2)cc1Cl	12529246	VXAIBIZLYYPMBV-NRFANRHFSA-N	518.931	4.197	5	40	KIBB	
COc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c(C)cc1[N+](=O)[O-]	102989153	MXMIYAKFFGCMBT-UHFFFAOYSA-N	547.973	4.186	5	40	KIBB	
O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105352532	UCLZJLRHEHQONH-UHFFFAOYSA-N	545.415	4.258	5	40	KIBB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	108948053	BHLSSEXIZZKWNN-WJOKGBTCSA-N	565.582	4.127	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc2c(c1)OCO2	150382320	SUAJDYRLZGWINA-BUDNTJSZSA-N	629.647	4.023	5	40	KIBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	223726481	YGSNFTBYSKJOTG-QFIPXVFZSA-N	564.664	4.266	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	224144629	BOWBKHQNPZJTDI-AREMUKBSSA-N	552.653	4.042	5	40	KIBB	
CCOC(=O)COc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)cc1[N+](=O)[O-]	408941126	PVFYJSMBKDNRBT-ARLGEPFESA-N	688.553	4.198	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)c(=O)n2[C@@H]1c1ccccc1Cl	408999158	STWNOJFCAIDJHI-OWXSRONMSA-N	567.067	4.350	5	40	KIBB	
CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	409164805	OBWVBPLCBRBWKW-UHFFFAOYSA-N	526.619	4.064	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1	409401276	RYUUQNUYWFVNPO-ODLFYWEKSA-N	521.482	4.045	5	40	KIBB	
COc1cc(C(=O)NN2C(=O)c3cc(Br)ccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC	2746870	ZNLSZGRCHWANKD-JOCHJYFZSA-N	557.357	4.295	5	40	KIBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	39766151	VOSNXWPYSWAUSV-YIXHJXPBSA-N	500.427	4.457	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223787080	DHSPVDMJSUUSLM-FQEVSTJZSA-N	573.071	4.387	5	40	KIBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225395254	CIXGPRNOBDQLKF-MHZLTWQESA-N	582.679	4.132	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nnc(CCOCCc2nnc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)s2)s1	408732303	UCJUZPLHJQHYCE-UHFFFAOYSA-N	600.599	4.296	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3Sc3ncccn3)c(=O)n2[C@@H]1c1ccc(SC)cc1	409105107	GINWUUIKEIILNM-WLGHQHAYSA-N	605.723	4.370	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(I)c(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C2=O)o1	409399171	GEOJWCVUOKCXBC-GRSHGNNSSA-N	633.351	4.260	5	40	KIBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2C=C(Cc3ccc([N+](=O)[O-])cc3)C=CN12	102888038	JNIHNHHTMVBUCU-UNFRKHOWSA-N	564.554	4.236	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(C(=O)O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1	102975647	AJXFLQWZVWGNDD-HNNXBMFYSA-N	579.990	4.101	5	40	KIBB	
O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105322225	JNGRGKQXZIKLTE-UHFFFAOYSA-N	556.044	4.361	5	40	KIBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	224244454	UJCQKIPGCPGBQE-HHHXNRCGSA-N	596.706	4.359	5	40	KIBB	
CCOc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCC	408563890	BJIINNSCKXNVPV-FVSDWULHSA-N	516.392	4.301	5	40	KIBB	
COc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)c(OC)c1	408649519	LCHCBPWEJMRZJT-SFHVURJKSA-N	520.494	4.183	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(OC)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O	409275786	WVXOFGPMUJWVSD-IUXPMGMMSA-N	507.908	4.036	5	40	KIBB	
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)Nc4ccc(NC(C)=O)cc4)ccc23)cc1	102613554	SWKDMJNKGYQMBM-UHFFFAOYSA-N	620.665	4.465	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1cccc(Cl)c1	103629504	YOMVSVAWPKFRIM-GDWJVWIDSA-N	512.953	4.269	5	40	KIBB	
CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC	106728579	UXPXEVSYWIHXAZ-ZDLGFXPLSA-N	506.920	4.435	5	40	KIBB	
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(Cl)cc1	408826540	HEHXKXBMZQYRQA-KCPLEYNQSA-N	632.798	4.370	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1	19856834	CTGMVUMUZMNYDT-UHFFFAOYSA-N	504.362	4.500	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225331882	KVMAKXJBKJUEFX-IAGOWNOFSA-N	573.499	4.308	5	40	KIBB	
CCn1c(CNC(=O)COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	409170490	VAAKOGZDVLOXKV-UHFFFAOYSA-N	540.646	4.372	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1Cl	6237829	QIYCBFFNQUZHQR-RQLGBQGVSA-N	535.965	4.230	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	150383817	PFHQEYNZYKXJQZ-JYNXQWRTSA-N	660.617	4.144	5	40	KIBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(Oc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])c4)c(=O)n32)cc1OCC	408943722	LWKZJDQSMSQIJK-ILLSWNIOSA-N	646.634	4.424	5	40	KIBB	
COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	20153096	JYRAZLYYBSIVLR-UHFFFAOYSA-N	506.968	4.318	5	40	KIBB	
O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1	102230101	MRGSMIKUHBAQFR-UHFFFAOYSA-N	519.329	4.198	5	40	KIBB	
Cc1c(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)cccc1[N+](=O)[O-]	103080106	ANFPIPNMOHGIJD-UHFFFAOYSA-N	591.017	4.002	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(C)cc1	409198011	UKTFXLHOVGZLHL-IDQDRXHYSA-N	532.405	4.322	5	40	KIBB	
O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21	409370649	CQVQTTPBSZVARW-YQORSWRPSA-N	520.295	4.142	5	40	KIBB	
O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccco1	2967555	PJPDLRSSWLICPA-OAQYLSRUSA-N	503.540	4.176	5	40	KIBB	
CCOC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(=O)OC)=NN2c2ccccc2[N+](=O)[O-])S1	9075582	ICBYBZNBEBFEMA-QFIPXVFZSA-N	500.558	4.294	5	40	KIBB	
COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	97948302	BCXATAWXUNTPTO-UHFFFAOYSA-N	562.531	4.178	5	40	KIBB	
CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3Cl)[nH]c(=O)c21	102356474	FWPXKVRXLIXKFY-LBPRGKRZSA-N	533.328	4.192	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)c(=O)n2[C@H]1c1ccc(F)cc1	111470306	FYXCXZKMIRFDHL-PNZYDNNZSA-N	547.564	4.414	5	40	KIBB	
CCc1ccccc1N1C[C@H](C(=O)Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c(C)c2)CC1=O	408638418	CDQKLEHJUUQUTH-GOSISDBHSA-N	513.506	4.225	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	408679454	FENWJTYUHDUINW-ZNZDAUKMSA-N	500.895	4.135	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1	408841132	JCRLKSRFWDQRKY-MFCBUNOESA-N	635.651	4.001	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)c(=O)n2[C@H]1c1ccccc1	408841955	MNAFFHGDFZOKBB-GJFKPFFXSA-N	529.574	4.275	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1	409078874	DLTQSSNVRDWLCD-CSJROMOCSA-N	585.638	4.294	5	40	KIBB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc(Sc5nc(C)cc(O)n5)c([N+](=O)[O-])c4)c(=O)n32)cc1	409100821	WYZLYLPOLMXWIF-ZKZBLMLZSA-N	633.708	4.059	5	40	KIBB	
O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	8902073	OHOQJOWFOILAEO-UHFFFAOYSA-N	503.559	4.393	5	40	KIBB	
COc1cc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)ccc1OCC(=O)Nc1ccccc1	18196593	DSAPVNNUPAUKTN-UHFFFAOYSA-N	510.506	4.388	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1c(-c2ccccc2Cl)noc1C	101176819	PGJMAGSJUBKLQV-FSRJSHLRSA-N	576.009	4.220	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl	103629535	YWGHXQKCYLVBGJ-GDWJVWIDSA-N	557.950	4.177	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1	223191531	GSHDZKCHEDPFOY-JKSUJKDBSA-N	522.396	4.077	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	408670572	SQESOJOMGGJBIG-GOSISDBHSA-N	513.506	4.279	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(Cl)cc1	409100035	UKTTXDHWLHKGJV-OGRZUZBBSA-N	576.078	4.456	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1c(F)cccc1Cl	103629524	YBISHEYWYXRSFR-MKCFTUBBSA-N	530.943	4.408	5	40	KIBB	
CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223685750	WIYKUCAARCIKKM-RBISFHTESA-N	598.697	4.363	5	40	KIBB	
Cc1c(N(Cc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-]	224862842	DUKOTJWECNKPCD-UHFFFAOYSA-N	517.991	4.332	5	40	KIBB	
Cc1c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-]	408583321	HLGRHNKNSBFOPR-HXUWFJFHSA-N	518.389	4.194	5	40	KIBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(Cl)cc1	408752421	HELSKFBOVCPTPC-MFUBYVTQSA-N	565.991	4.238	5	40	KIBB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1[N+](=O)[O-]	409274729	XCQQRGLLEXHDNX-FMCGGJTJSA-N	583.556	4.498	5	40	KIBB	
C[C@@H](C[N+]1(Cc2ccccc2)CCOCC1)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)O	4416437	CUFCDCINRRYJKH-LDMRLCQCSA-N	642.895	4.250	5	40	KIBB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c2=O)=N1	104677302	FZETUVYHNXEJBT-GJFKPFFXSA-N	535.622	4.316	5	40	KIBB	
O=C(CN1C(=O)S/C(=C\c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)C1=O)Nc1ccccc1	106710980	AJHHGCJOTWXPMB-FBHDLOMBSA-N	548.489	4.397	5	40	KIBB	
COc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	205806371	SUJZYAUZNKWNBU-UDWIEESQSA-N	542.526	4.353	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCOc1ccc2ccccc2c1	223587134	BURFORRIOCZBEL-UHFFFAOYSA-N	505.552	4.139	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1)S(C)(=O)=O	260966777	IGZBIJSLHLTGFC-MUUNZHRXSA-N	608.717	4.068	5	40	KIBB	
O=C(Oc1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	408639886	HKQQBOGPSKCCQU-AWEZNQCLSA-N	505.870	4.007	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408983189	FYQZCKUJDQLTLV-TZUCAZQYSA-N	693.756	4.190	5	40	KIBB	
COc1ccc(OC)c([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5nc(C)cc(O)n5)c([N+](=O)[O-])c4)c(=O)n32)c1	409107016	OFOJWGSWMJQNHG-NRBGUCFGSA-N	663.734	4.067	5	40	KIBB	
O=C(CSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2s1)Nc1ccc(F)c([N+](=O)[O-])c1	409337203	RKVZDGJKUMOELF-ITQSLMPISA-N	524.555	4.386	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	20452029	PLRXOOUENZAERJ-UHFFFAOYSA-N	519.963	4.408	5	40	KIBB	
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1	23182005	NUCQDKDVZIWTNN-HXOBKFHXSA-N	504.609	4.026	5	40	KIBB	
CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225356513	AMYONVGBXDIFKH-NDEPHWFRSA-N	580.707	4.226	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C/c3ccc([N+](=O)[O-])o3)c2=O)=N[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1	408731407	MESMHIDKBUERBT-HTCWZNLXSA-N	589.626	4.386	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCc4cccc(F)c4)c([N+](=O)[O-])c3)C2=O)o1	409402525	WDRKOBOBOUPTDB-NVMNQCDNSA-N	529.864	4.439	5	40	KIBB	
CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O	4173917	IGNGLCCXNLJZNA-VJAWVROJSA-N	538.556	4.238	5	40	KIBB	
CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1[N+](=O)[O-]	14276037	ILMZNYHUZZNWSW-UHFFFAOYSA-N	500.558	4.443	5	40	KIBB	
CCCCn1/c(=N\C(=O)c2ccccc2OCC)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	101102313	MZIHBBINWXBEAX-JVCXMKTPSA-N	502.571	4.074	5	40	KIBB	
CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cc(OC)c(OC)cc3[N+](=O)[O-])[C@H]2C1=O	102758624	QWUODKRCDPQNSH-UBFVSLLYSA-N	519.510	4.062	5	40	KIBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223863021	TXZDMGCUMPORPY-NRFANRHFSA-N	600.669	4.190	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21	230000257	OFSSHTWKXANFPL-KEZOAJOQSA-N	514.925	4.277	5	40	KIBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@H]2C=Cc3ccccc3N12	247345263	UEGVIOWJDSMQJJ-QPXUXIHVSA-N	559.376	4.386	5	40	KIBB	
COc1ccc([N+](=O)[O-])c(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1	408665529	TZMYGFFBZLHLPQ-LSSDNNNWSA-N	552.370	4.135	5	40	KIBB	
C[C@@H](Nc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-])c1ccccc1	9891926	UXOCIACOHDGLFY-GOSISDBHSA-N	511.560	4.187	5	40	KIBB	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCOCC3)c2C(=O)Nc2cccc([N+](=O)[O-])c2)C1	15946700	HTTAFJSRNXWGID-INIZCTEOSA-N	500.621	4.330	5	40	KIBB	
CCCCCn1/c(=N\C(=O)c2cc(OC)cc(OC)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21	101253066	NNXIKNICLGHESJ-ZXPTYKNPSA-N	532.597	4.083	5	40	KIBB	
CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1	105316352	MOZVXJJPAVHCGP-UHFFFAOYSA-N	538.674	4.017	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	226403743	WSKQVVGNMZFBIX-TZQJRMFESA-N	540.359	4.195	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=N[C@@H]1c1cccc([N+](=O)[O-])c1	408733655	ZDNRVWABDDFUTC-JZVSFUAJSA-N	518.378	4.122	5	40	KIBB	
CCOC(=O)c1c(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)sc(C(C)=O)c1C	409168811	NVCPOPVXXDAOPP-IBGZPJMESA-N	588.668	4.320	5	40	KIBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	409230734	FXDAUKYGIFTFFG-CIAFOILYSA-N	566.954	4.376	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)Nc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)o1	409399092	HUUZZFFHASIZCH-GRSHGNNSSA-N	568.926	4.047	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	260771696	XBLUNCXLWIXISU-OAQYLSRUSA-N	600.669	4.188	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)(C)C)c1	260925964	HCGSPENOQZBJEG-JOCHJYFZSA-N	566.680	4.431	5	40	KIBB	
Cc1ccc(-n2c(SCC(=O)Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)nnc2-c2ccccc2O)c(C)c1	408542311	IIDMOUUGRXCHPW-UHFFFAOYSA-N	559.608	4.086	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])c2=O)=N[C@@H]1c1ccc(OC)cc1	408732688	XIRKGNXLTOVQOV-YVBHXKDBSA-N	615.664	4.412	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(SC)cc1	409000640	UQSNZIIGYYRWFX-WDONWYDGSA-N	618.649	4.180	5	40	KIBB	
CCC(=O)Oc1c(OC)cc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CC)cc1[N+](=O)[O-]	8396432	UOXBYAVTAGSIHQ-HSZRJFAPSA-N	525.543	4.327	5	40	KIBB	
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1	12537527	FKXRWWHZWZHEPM-UHFFFAOYSA-N	503.920	4.153	5	40	KIBB	
CC(C)C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)OCc1ccccc1	13370246	YADKQINMTPWLBG-AEUZFIIDSA-N	505.527	4.233	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1	101176979	SWKUOEPMUFKWSD-BNIPGBBVSA-N	600.628	4.404	5	40	KIBB	
COc1cc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc(Br)c1O	101669749	KDQRKIRJGGNYDL-XJUOHMSHSA-N	554.353	4.118	5	40	KIBB	
C[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@@H](c5cc([N+](=O)[O-])ccc5OCc5ccc(F)cc5)[C@H]34)[C@@H]2C1=O	150477821	NSRSCJKRCKSRAW-MRCOYMOCSA-N	625.656	4.009	5	40	KIBB	
CN(CCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(COc2ccc(Cl)cc2)n1	585265890	XEAWFJNVESGFOE-UHFFFAOYSA-N	582.038	4.415	5	40	KIBB	
CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@H](Cn5c4cccc5=O)[C@@H]23)OC(C)(C)O1	618250530	FFPATDDYJWTOFW-UITMPGGJSA-N	636.746	4.069	5	40	KIBB	
Cn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1	100817031	AYRAPZTYHRSFMP-OAQYLSRUSA-N	579.639	4.324	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)Nc1ccc(Cl)cc1)N1C=Cc3ccccc3[C@@H]21	100883152	DQHRRIALCJSXKU-NDBXHCKUSA-N	544.951	4.411	5	40	KIBB	
COc1ccc(N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	102993035	QDBGTEQIJPVHOV-UHFFFAOYSA-N	535.918	4.427	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408642148	DOVGTQXACBSOEN-IAGOWNOFSA-N	502.310	4.093	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1	408652058	OCJWFUURLVCGCP-OAQYLSRUSA-N	516.506	4.210	5	40	KIBB	
CC(=O)Oc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1	408780346	BCESHVICGWMYEK-QTTRZTASSA-N	523.570	4.152	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1	408782344	FYASRJPIDXYBKT-CMISJSSVSA-N	651.744	4.196	5	40	KIBB	
COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(C)cc1	409175919	DTLSFWDFZOWYFP-UHFFFAOYSA-N	508.870	4.406	5	40	KIBB	
O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1I	409369192	HFHGPYCZPBWNJK-ISQHLFTMSA-N	522.298	4.076	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(C)cc1	409402572	WVTUXIZEMVCCEM-JAIQZWGSSA-N	535.509	4.353	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)[C@H]2c2ccccc2)cc1	98007347	UCILZYYBXHLFDX-XMMPIXPASA-N	537.623	4.104	5	40	KIBB	
COc1ccc(CCNC(=O)CSc2cn(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1OC	100820164	JBLAWCBNNPVUGD-UHFFFAOYSA-N	562.648	4.448	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(OCC)cc1	102921375	MQRHYYBHKCOTAB-GKPLWNPISA-N	514.582	4.471	5	40	KIBB	
CCOC(=O)COc1c(I)cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC	215001206	MHPPIBOPRASEHS-VCHYOVAHSA-N	598.371	4.386	5	40	KIBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222466843	CVMKAZVUYWQGLN-HHHXNRCGSA-N	566.680	4.431	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225060844	ISYFUPLIVHSTJR-DHIUTWEWSA-N	566.680	4.431	5	40	KIBB	
COc1ccc(N(CC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	225524602	GCOJKHJQHSLDMQ-QHCPKHFHSA-N	596.706	4.357	5	40	KIBB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225679763	YMIBGIGEKAJYNL-OAQYLSRUSA-N	570.643	4.119	5	40	KIBB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1[N+](=O)[O-]	408672330	VSZINBCCOKJHCI-ZDUSSCGKSA-N	524.755	4.162	5	40	KIBB	
CCCN1C(=O)/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)NC1=S	409090111	KZUNPXGNXPMNCA-YVLHZVERSA-N	553.378	4.255	5	40	KIBB	
CC1(C)[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC[C@]1(C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	4109246	GKIYPLFGLXZJAC-RXFWQSSRSA-N	526.498	4.098	5	40	KIBB	
CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	59331818	RWPZXEMDJYOQKK-UHFFFAOYSA-N	517.055	4.117	5	40	KIBB	
COc1ccc([C@@H]2N(C(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1	98007986	UULHYWMGXUEUOZ-RUZDIDTESA-N	567.649	4.112	5	40	KIBB	
COc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1Br	102759248	ZVLJIPOFYVHUDN-XPWALMASSA-N	538.354	4.413	5	40	KIBB	
CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	222421844	JICFSAGTRLKYDX-HXUWFJFHSA-N	603.097	4.232	5	40	KIBB	
CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223301340	DQQWMGVBAPJPHB-AREMUKBSSA-N	587.098	4.099	5	40	KIBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@@H](Cc1ccccc1)C(=O)NCC(C)C	225753193	UBCHQNWEGLKGHC-NDEPHWFRSA-N	580.707	4.082	5	40	KIBB	
Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)c2ccc(Br)cc2C1=O	408663029	NIOAUZCUXVUNDO-OAHLLOKOSA-N	564.348	4.425	5	40	KIBB	
COc1ccc(N(CC(=O)NCCSCc2cccc(C)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	408923090	FHKDGPDHKFZGIN-UHFFFAOYSA-N	559.666	4.165	5	40	KIBB	
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(SC)cc1	409001981	RMKSWXYUTOZWES-VFHYMGCCSA-N	603.678	4.280	5	40	KIBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c2=O)=N1	409043503	MRBZRAGQRGQION-CMISJSSVSA-N	555.612	4.286	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(=O)c3cccc(C(F)(F)F)c3)C2=O)o1	409408768	LLGUTNWURZTUPE-BOPFTXTBSA-N	559.409	4.305	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)S(C)(=O)=O	10338360	SWEGCEDYLZWXMZ-UHFFFAOYSA-N	501.948	4.192	5	40	KIBB	
O=C(NC1CCCC1)c1ccc2c(=O)n(C[C@H]3CCCO3)c(SCc3cccc([N+](=O)[O-])c3)nc2c1	33269214	ZBPVFHIQLAYWRZ-OAQYLSRUSA-N	508.600	4.448	5	40	KIBB	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1	44947069	JCAJXPMIFRTSJU-UHFFFAOYSA-N	516.801	4.191	5	40	KIBB	
CCOC(=O)C1=C(COC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1cccs1	103091311	XXJRVIXSYVBTLS-PBPSECFOSA-N	542.614	4.167	5	40	KIBB	
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1	3240689	VOVVDMYSLLJRJP-UHFFFAOYSA-N	519.329	4.198	5	40	KIBB	
Cc1ccc(C(=O)N2CCN(c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)CC2)cc1	59331752	HKQATNUJXWQGCL-UHFFFAOYSA-N	517.611	4.301	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	59953597	VRZKQRWVCNFHDM-UHFFFAOYSA-N	550.387	4.209	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1cc(Br)ccc1Cl	100820883	ZXWDRAJXTQVSFI-IADYIPOJSA-N	573.831	4.019	5	40	KIBB	
CCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	102762631	PYWWPPKIHWRSDQ-JQYIIUTOSA-N	549.536	4.070	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(F)cc1	408831504	QSBPGZHBYDYOFW-MFUBYVTQSA-N	551.527	4.245	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C(F)(F)F)ccc3OC)C2=O)cc([N+](=O)[O-])c1O	408868247	OVVVAZKYAVPURI-IUXPMGMMSA-N	541.460	4.402	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)c(=O)n2[C@@H]1c1ccc(F)cc1	1814712	BLPTVCHOVZPNRR-CBYYHRJHSA-N	547.564	4.414	5	40	KIBB	
O=C(c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccc([N+](=O)[O-])cc2)c1)c1cc(Cl)ccc1O	102988302	MXBNNRTUKVLSSO-UHFFFAOYSA-N	534.868	4.496	5	40	KIBB	
O=C(O)CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)c2sc(=O)[nH]c2S[C@H]31	150473877	IYFPCTAFGYNUBW-LENUXNTDSA-N	625.656	4.011	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	222969271	VQQYSMFBFIAUNU-INIZCTEOSA-N	573.499	4.308	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223400211	GQTRCCPQJPCHFB-INIZCTEOSA-N	559.472	4.001	5	40	KIBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224232847	CZHYFMAAAQDMBL-SANMLTNESA-N	552.653	4.042	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1	408658405	VAKLCUUMSATXFN-CLJLJLNGSA-N	567.554	4.314	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409271634	KRKIOXFCQYNTBY-PQRKSKNISA-N	620.728	4.350	5	40	KIBB	
COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1OCc1ccccc1	100166107	ZIUYVJOLCQNGLV-BQYQJAHWSA-N	521.267	4.159	5	40	KIBB	
Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nn12	105306213	BYKGAQJPODEETG-UHFFFAOYSA-N	522.616	4.187	5	40	KIBB	
CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccc(OC)c(OC)c4OC)[C@H]3C2=O)cc1	105990093	UUJWSXITQVVYAS-ONBPZOJHSA-N	563.563	4.461	5	40	KIBB	
O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]2C1=O)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)c2sc(=O)[nH]c2S[C@@H]31	150352301	KVEXQSMVCLEQPB-BNRFJHKNSA-N	628.084	4.135	5	40	KIBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	205802136	YCRFGINRDNYKGB-CIAFOILYSA-N	542.526	4.353	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224783624	DRGKFKKBTOTIPY-HXUWFJFHSA-N	573.071	4.387	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)ccc3O)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408730126	NQCQVEHPGXEUIW-RWTNITNYSA-N	657.442	4.277	5	40	KIBB	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	409089902	PBLJBQQHJKONGJ-NNLQFVHNSA-N	598.371	4.385	5	40	KIBB	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)ccc1Cl	409159799	UYKMQWIFRNWQNU-APSNUPSMSA-N	510.311	4.363	5	40	KIBB	
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccc(Cl)cc4Cl)[nH]c(=O)c32)cc1[N+](=O)[O-]	40399562	UTGQGXYXHINWBM-LBPRGKRZSA-N	503.302	4.101	5	40	KIBB	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	103070800	GTVVUDIYQBWBSL-MRXNPFEDSA-N	538.022	4.343	5	40	KIBB	
CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224391096	FEPOKMPSSCJHDF-SANMLTNESA-N	631.549	4.290	5	40	KIBB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(OC)cc3OC)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1	408920597	JWLUAGLWZVXUID-UHFFFAOYSA-N	686.721	4.264	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccccc1OC	409274572	PSBIXAIGSAZEEW-ZIRCPPMYSA-N	603.745	4.257	5	40	KIBB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1cc(=O)oc2ccc3ccccc3c12	3376739	OHISOEMLEGJURE-PDFOZTTASA-N	512.971	4.221	5	40	KIBB	
COC(=O)c1c(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)sc(C)c1C	101670405	BEEMOXPCOZCOQX-KEZOAJOQSA-N	557.584	4.458	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3N=Cc4ccccc4[C@@H]3[C@@H]2C1=O	103899229	PMDRROAUXZSIKJ-YCAMKHIRSA-N	530.924	4.018	5	40	KIBB	
CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC(=O)OC	106739173	VRMAQPLHNRRXNA-ZDLGFXPLSA-N	506.920	4.435	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	261092399	UIFFPTGXGHVDIK-DFHRPNOPSA-N	598.697	4.363	5	40	KIBB	
Cc1ccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4[C@H]5C=C[C@@H]([C@H]6C[C@H]65)[C@H]4C3=O)cc2)cc1	408640386	HUVZPCQCUCEHNV-NPTXDTCSSA-N	605.603	4.416	5	40	KIBB	
CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)c(C)c3)CC2=O)cc1	408660949	MCCNNKBMRCLKFM-KRWDZBQOSA-N	529.505	4.061	5	40	KIBB	
COC(=O)Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc(OC)c4OCc4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1	409081802	LBSTYQUOJRFITJ-PSAPEEBNSA-N	671.728	4.398	5	40	KIBB	
COc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	27533714	HAMRFBICNZQRLJ-UHFFFAOYSA-N	519.963	4.408	5	40	KIBB	
Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21	35851582	ADMFIICMWZIGRN-IQXSCUCBSA-N	500.580	4.425	5	40	KIBB	
Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc2c1=O	103129607	GQYYMJCHAJURRX-UHFFFAOYSA-N	568.633	4.011	5	40	KIBB	
CCCCC1CCC(C(=O)/N=c2/c(C(=O)OCC)cc3c(=O)n4ccccc4nc3n2C[C@@H]2CCCO2)CC1	103629094	XAEGRKJNACPGPE-ZWBPZCMYSA-N	534.657	4.429	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	111461075	LFSKQKQTGJDUIT-PRLWALMFSA-N	619.652	4.382	5	40	KIBB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	224059301	OIGSBOGMDHXMAD-FQEVSTJZSA-N	570.643	4.261	5	40	KIBB	
COc1cccc(C(=O)Oc2ccc(C(=O)CN(C(=O)c3ccc([N+](=O)[O-])cc3)N3C(=O)[C@H]4CC(C)=CC[C@H]4C3=O)cc2)c1	408646816	UQNFYKICKOJBAO-SXOMAYOGSA-N	597.580	4.404	5	40	KIBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)c2=O)=N1	409036379	REXOIFJFEXSQFV-DBXPASCUSA-N	555.612	4.286	5	40	KIBB	
COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c([N+](=O)[O-])cc1OC	18246821	LAWHJOWCNVZMAM-VABKMULXSA-N	509.902	4.317	5	40	KIBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCSc1ccc(Cl)cc1	20239086	CSOVFDMUTOLMFN-UHFFFAOYSA-N	506.005	4.352	5	40	KIBB	
CS(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1	100825743	ICMLFCIOFRUVGS-JOCHJYFZSA-N	535.003	4.160	5	40	KIBB	
O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1Br	112234049	CNJBKRVGJYFAKF-UHFFFAOYSA-N	517.327	4.213	5	40	KIBB	
CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261071517	PVOPDFVYRPCSEQ-FIPFOOKPSA-N	610.733	4.233	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409182005	HURGFQXHCPUJNJ-KEQCBNTKSA-N	588.598	4.492	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409271631	KRKIOXFCQYNTBY-NNAGEYCMSA-N	620.728	4.350	5	40	KIBB	
CCOC(=O)COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	409276820	WTVJAQOTXXMNGY-VXLYETTFSA-N	549.355	4.218	5	40	KIBB	
Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1C	6194809	RHKSYPPAJMWRLL-MHZLTWQESA-N	542.644	4.456	5	40	KIBB	
CN(C)c1ccc([P@@](=O)(Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)c(NC(=O)c2cccs2)c1	8687459	MGNIKYAMBTUHBE-UUWRZZSWSA-N	515.532	4.237	5	40	KIBB	
COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1cccc(OC)c1OC)CC2	11726267	QRNLLBMWMUSIID-QFIPXVFZSA-N	508.527	4.448	5	40	KIBB	
CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl	22248226	WTBIHHLHEZVOOE-OAQYLSRUSA-N	517.991	4.484	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1	102548967	XMTZUQDRFZIUTL-BNIPGBBVSA-N	606.676	4.108	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccccc1OCC	103628820	ROZJJMOUNFIXBP-ZXPTYKNPSA-N	514.582	4.471	5	40	KIBB	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	104026450	FPGFSNILVCQDKB-YCAMKHIRSA-N	514.925	4.402	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	105501085	IDXYUTWWVAMBPH-UPWSPCOFSA-N	599.621	4.014	5	40	KIBB	
COc1cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c([N+](=O)[O-])cc1OC	197871870	ICVVVOYSBRVROA-SUAMDDGLSA-N	525.586	4.244	5	40	KIBB	
CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222606833	LAIHCMQCZQTBFY-HHHXNRCGSA-N	601.125	4.427	5	40	KIBB	
CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	223396364	PGLRHVBMJATRDE-XMMPIXPASA-N	633.123	4.323	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3O)c(=O)n2[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408730725	UPBCNZAQEGAORJ-RWTNITNYSA-N	610.442	4.435	5	40	KIBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCCCCC3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409100411	NCRKNEXXVMYOOV-WWWKDLBZSA-N	633.771	4.409	5	40	KIBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1Oc1ccc([N+](=O)[O-])cn1	409402493	VVCSNYKZUUHDHT-IUXPMGMMSA-N	587.339	4.416	5	40	KIBB	
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	3310661	CZHMHFBIZFRAGB-LBPRGKRZSA-N	554.400	4.404	5	40	KIBB	
COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	20153234	FVPYLOJBVDIIHL-UHFFFAOYSA-N	510.572	4.473	5	40	KIBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	223896393	CVHKCRCWYCEEET-HXUWFJFHSA-N	617.522	4.496	5	40	KIBB	
CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224406096	GGXAPKXHGLWYPF-AREMUKBSSA-N	584.670	4.055	5	40	KIBB	
C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccc(OC(=O)c4ccco4)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	408639887	GMYBBNIWTKFHGV-VSDWSMLSSA-N	559.531	4.068	5	40	KIBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408643949	GPYSASIFBVRKAQ-PLQXJYEYSA-N	600.540	4.138	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1	408843262	SFWLUOVMWYALDQ-YMSBRDKKSA-N	533.537	4.106	5	40	KIBB	
CCOC(=O)c1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2CC)c1	409126159	NDLVSVOJFQSCDU-JOCHJYFZSA-N	554.629	4.241	5	40	KIBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	409144264	NRXIZGZRDKSYGF-WSDLNYQXSA-N	606.451	4.230	5	40	KIBB	
Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	21578411	ZBJONMMBGWFLHH-UHFFFAOYSA-N	514.991	4.320	5	40	KIBB	
COCCn1/c(=N/C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)sc2cc([N+](=O)[O-])ccc21	100872711	RFAQXKQFZPALEI-IZHYLOQSSA-N	526.596	4.108	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(F)cc1	111470441	PAJZJPKVIVVCIB-CBYYHRJHSA-N	563.563	4.114	5	40	KIBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C)S(C)(=O)=O	224862039	HCHDVEXUCDXXNP-SANMLTNESA-N	617.124	4.188	5	40	KIBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1	408730548	HVFWRZYSLALDEM-FUFNRSNVSA-N	585.638	4.403	5	40	KIBB	
COc1ccc(OC)c([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(Sc5ncccn5)c([N+](=O)[O-])c4)c(=O)n32)c1	409105631	NQDIEWFYPJKYAK-ZSJKCPIUSA-N	633.708	4.053	5	40	KIBB	
COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCC2	409120026	SKBBPFAYKAEAAS-UHFFFAOYSA-N	573.649	4.473	5	40	KIBB	
CC(C)COc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	22834547	LETLJLRONFOZLV-UHFFFAOYSA-N	510.538	4.485	5	40	KIBB	
Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1)S(C)(=O)=O	224855711	LSQGHZUIVGTUTI-UHFFFAOYSA-N	517.991	4.332	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	225436351	LKMDLBSSQGRYCI-DNQXCXABSA-N	610.733	4.482	5	40	KIBB	
CN1C[C@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12	408568292	SXMNTYZNVNEIIT-VPHKFGTKSA-N	553.369	4.458	5	40	KIBB	
O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc([N+](=O)[O-])c1	408641127	JUCHKANMDSPHID-UHFFFAOYSA-N	543.275	4.346	5	40	KIBB	
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)OCc1ccccc1	408737022	KWDICUHURGIWFP-DEOSSOPVSA-N	501.495	4.340	5	40	KIBB	
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc(Br)c3O)C2=O)cc1C	408930632	ZUJKJUWFYJZTGB-FRKPEAEDSA-N	506.334	4.355	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)c(=O)n2[C@@H]1c1ccc(OCC)cc1	409196054	SOMPZDIWIOXACH-JGZDWKDESA-N	562.431	4.412	5	40	KIBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N(c1cccc2ccccc12)S(=O)(=O)c1ccccc1[N+](=O)[O-]	2758369	FHIAMVDUBUFUQV-UHFFFAOYSA-N	513.509	4.240	5	40	KIBB	
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl	20006482	OUYGSGCMPDCGSY-NRFANRHFSA-N	503.964	4.094	5	40	KIBB	
COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OC)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-]	101963939	WDJSKFQQZBAFTQ-QPJBPQEWSA-N	555.612	4.253	5	40	KIBB	
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(OS(=O)(=O)c4ccccc4)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	102890626	OOYIYJUIOLYHID-ZONZVBGPSA-N	571.567	4.414	5	40	KIBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1cccc(Cl)c1	102920450	XHDAOBNIXJLXRE-BGABXYSRSA-N	522.989	4.036	5	40	KIBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)[C@H](C)C(=O)NC(C)C)c1	260720155	GJVZZRSLCPOIMA-JOCHJYFZSA-N	552.653	4.040	5	40	KIBB	
O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)Nc1cccc([N+](=O)[O-])c1	408554482	SGTQMPGKAOSLOZ-UHFFFAOYSA-N	506.334	4.176	5	40	KIBB	
CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	408839778	WHMGHHIRJDWXSV-DEDYPNTBSA-N	503.423	4.465	5	40	KIBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c(=O)n2[C@H]1c1ccc(OCC)cc1	409198461	GHMHGACSBXHPPB-WWFXOLRUSA-N	586.626	4.293	5	40	KIBB	
CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc(C(=O)NC2CCCCC2)c1C	15277502	CVMYVATYIRSOKR-UHFFFAOYSA-N	504.521	4.364	5	40	KIBB	
CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223404229	IQJVGKVKUVYORD-INIZCTEOSA-N	589.498	4.010	5	40	KIBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225329720	NZKJNBPGXXMIQC-HZPDHXFCSA-N	589.498	4.008	5	40	KIBB	
COc1cc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(OC)cc1Cl	408624789	UOFNDVDKFUHCJS-UHFFFAOYSA-N	505.936	4.099	5	40	KIBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)C2=O)o1	409402602	XHFAHRJWMCHPKE-ODLFYWEKSA-N	556.325	4.409	5	40	KIBB