smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	14862437	AOJPAUSBFJWZBA-BXHQQFBRSA-N	279.343	4.697	10	40	CJCB	
Cc1ccc(-c2ccncc2)n1-c1ccc(C(C)C)cc1	199782871	JQVMPYTWSOEODL-UHFFFAOYSA-N	276.383	4.971	10	40	CJCB	
COc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)c1	226789807	FJXHWDQOMCPJPN-VKJFTORMSA-N	295.357	4.661	10	40	CJCB	
CN1/C(=C\C(=S)CC(C)(C)C)Sc2ccccc21	100268053	XUKPPXYMDUDPPY-NTEUORMPSA-N	277.458	4.876	10	40	CJCB	
O=C(O)c1ccc(/N=N/c2sc3ccccc3c2O)cc1	100851959	DKURIEICHJIUDC-WUKNDPDISA-N	298.323	4.721	10	40	CJCB	
Nc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1	60158027	OESZKPAYOWQNHK-UHFFFAOYSA-N	287.668	4.733	10	40	CJCB	
Cc1[nH]c(=N)sc1/N=N\c1cccc(Cl)c1Cl	104128571	BYFCNCNFZVHKBK-NXVVXOECSA-N	287.175	4.586	10	40	CJCB	
CC[C@H](c1ccc(O)c(O)c1)[C@@H](CC)c1ccccc1	1608981	BQIYIEVGQPMURE-JKSUJKDBSA-N	270.372	4.785	10	40	CJCB	
c1ccc(Cn2cccc2/N=N\c2ccccc2)cc1	104092127	PLAVIAPIAPCNJV-HNENSFHCSA-N	261.328	4.952	10	40	CJCB	
CSCCC(=O)c1sc2ccc(Cl)cc2c1C	575362390	YIZXSRQMXBTDIB-UHFFFAOYSA-N	284.833	4.799	10	40	CJCB	
Fc1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21	4004158	SGLXEWDVTIRORE-XAYKYTGQSA-N	265.331	4.652	10	40	CJCB	
Cc1cc(N=Nc2ccccc2)nc(-c2ccccc2)n1	245232402	VCVQSOLUXAKWJE-UHFFFAOYSA-N	274.327	4.867	10	40	CJCB	
CCCCOc1ccc(/N=N/c2cccc(N)c2)cc1	4551234	WAOFGYDFKUYBIP-VHEBQXMUSA-N	269.348	4.863	10	40	CJCB	
Cc1c[nH]c(/N=N/c2ccccc2Oc2ccccc2)n1	18194642	JXSGXWVYHPMNIT-FMQUCBEESA-N	278.315	4.926	10	40	CJCB	
Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	409164354	HJILUEGIGWTQQF-VDZJLULYSA-N	279.358	4.961	10	40	CJCB	
Cc1ccc(CSc2ncc(-c3ccccc3)n2C)cc1	7423179	GBANMCWXBMJZQB-UHFFFAOYSA-N	294.423	4.688	10	40	CJCB	
Cc1cc(CNC2CCCCC2)c(C)n1-c1ccccc1	37329015	VAVPRXBDRSMAKK-UHFFFAOYSA-N	282.431	4.516	10	40	CJCB	
CCCCNCc1cc(C)n(-c2ccccc2Cl)c1C	223670414	YCCRGZSKFAPOSB-UHFFFAOYSA-N	290.838	4.637	10	40	CJCB	
COc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	6954831	BDAXQWHUTCTILG-RLFYNMQTSA-N	295.357	4.661	10	40	CJCB	
COc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1	58928470	FVXRAHBRAFLJKV-IEZWGBDMSA-N	277.367	4.522	10	40	CJCB	
Cc1ccc(-c2ccccc2F)n1-c1ccc(N(C)C)cc1	230481805	CUNGISJQLRLHGF-UHFFFAOYSA-N	294.373	4.658	10	40	CJCB	
Cc1ccc([C@@](C)(N=[N+]=[N-])c2ccccc2)cc1C	6205741	YMDWPNISGBBNHN-INIZCTEOSA-N	251.333	4.877	10	40	CJCB	
Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	6968654	HJILUEGIGWTQQF-HHXXYDBFSA-N	279.358	4.961	10	40	CJCB	
CCCCN1c2cc(Cl)c(CN)cc2[C@H](C)CC1(C)C	260719714	LUWXFGSWWDHTSV-GFCCVEGCSA-N	294.870	4.691	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	6954228	ZAHIULLYQBFCEU-MDZRGWNJSA-N	277.367	4.522	10	40	CJCB	
Cc1[nH]c(=N)sc1/N=N/c1ccc(Cl)cc1Cl	16951878	MYBGVGFLMIRUBY-FOCLMDBBSA-N	287.175	4.586	10	40	CJCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21	4140563	IOTCVFOATHRDOF-PMUMKWKESA-N	296.801	4.870	10	40	CJCB	
COc1ccccc1/N=N\c1c(O)ccc2ccccc12	18100764	ALLOLPOYFRLCCX-HNENSFHCSA-N	278.311	4.969	10	40	CJCB	
Nc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CCC[C@@H]21	101267475	DPDVLHAMYZQEMF-KEYYUXOJSA-N	298.817	4.973	10	40	CJCB	
CCCNCc1cc(C)n(-c2cc(Cl)ccc2C)c1C	223673171	LFEDGIPRRSPUHT-UHFFFAOYSA-N	290.838	4.556	10	40	CJCB	
COc1cccc2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21	3684438	HLZHPANVGJGEPW-DAYGRLMNSA-N	277.367	4.522	10	40	CJCB	
COc1ccc(/N=N\c2ccc(OC)cc2C)c(C)c1	104092556	PFRACQVWCUZOPC-ZCXUNETKSA-N	270.332	4.736	10	40	CJCB	
Cc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	409157533	RAGKRNFGJCBIFW-KVSKMBFKSA-N	261.368	4.822	10	40	CJCB	
O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(F)(F)F	18098810	IOOZXEIYKDRVSR-FMQUCBEESA-N	293.248	4.603	10	40	CJCB	
Fc1cccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)c1	409156237	NDFCXQNOBBFFIT-ZQIUZPCESA-N	283.321	4.791	10	40	CJCB	
Cc1ccc2c(c1)Sc1ccc(/N=N\N(C)C)cc1N2C	104212075	XBJFMQQGZHQXAZ-ZCXUNETKSA-N	298.415	4.788	10	40	CJCB	
CCC1=CC[C@@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@H]2C1	104219575	FROXBFFUEMSJAW-HOTGVXAUSA-N	290.362	4.581	10	40	CJCB	
Fc1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1	4155599	CSVQSQUSQOIXQM-MPGHIAIKSA-N	283.321	4.791	10	40	CJCB	
CCOc1cccc(CNc2ccc(C(C)C)cc2)c1O	19912412	RNIIHBCALVLWQJ-UHFFFAOYSA-N	285.387	4.526	10	40	CJCB	
c1ccc(Oc2ccc(/N=N/N3CCCCC3)cc2)cc1	4725850	DGBNOZBEQMSDSK-VHEBQXMUSA-N	281.359	4.964	10	40	CJCB	
Cc1cc2c(n1-c1ccc(C(C)C)cc1)C[C@@H](C)CC2=O	2512781	GIVUPPANHSMATO-CYBMUJFWSA-N	281.399	4.674	10	40	CJCB	
Nc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CCC[C@@H]21	13464680	DPDVLHAMYZQEMF-CKEIUWERSA-N	298.817	4.973	10	40	CJCB	
Fc1cccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)c1	409156235	NDFCXQNOBBFFIT-VBQJREDUSA-N	283.321	4.791	10	40	CJCB	
Cc1ccccc1/N=N\c1sc(=N)[nH]c1-c1ccccc1	17969456	WCNCGGNCFOSVPU-VXPUYCOJSA-N	294.383	4.946	10	40	CJCB	
Cc1cc(O)c(CN2CC[C@H]2c2ccccc2)cc1C(C)C	58417079	NYFQEHGTFYZRKR-IBGZPJMESA-N	295.426	4.771	10	40	CJCB	
CCN1c2cc(C)c(CNC(C)C)cc2[C@@H](C)CC1(C)C	223789163	WPQOMCLABUMWJU-HNNXBMFYSA-N	288.479	4.605	10	40	CJCB	
[O-]/[N+](=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1	101060922	NMAZIJPSESMWSA-FOCLMDBBSA-N	267.115	4.919	10	40	CJCB	
Fc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)c1	409150106	ABSJFFVUIFNTGI-VKJFTORMSA-N	283.321	4.791	10	40	CJCB	
CN(C)c1ccc(/C=C/C=C2/C=Cc3ccccc32)cc1	1662458	VHPHZHGXMQEQLQ-QYZIKYIRSA-N	273.379	4.876	10	40	CJCB	
CCCN1c2cc(Cl)c(CNC)cc2[C@@H](C)CC1(C)C	223783096	FIDFFKCOQOPIJR-LBPRGKRZSA-N	294.870	4.562	10	40	CJCB	
CCNCc1cc2c(cc1Cl)N(CC)C(C)(C)C[C@@H]2C	223785246	WWLOBEBNNFGEFN-LBPRGKRZSA-N	294.870	4.562	10	40	CJCB	
CC[C@@H](c1ccc(OC)cc1)N(CC)c1ccc(OC)cc1	5422725	WBYKYUZOGGOVTA-IBGZPJMESA-N	299.414	4.681	10	40	CJCB	
CN(C)c1ccc(/C=C/c2c(F)cccc2Cl)cc1	144591355	ZAXUUHSGXRGGON-DHZHZOJOSA-N	275.754	4.716	10	40	CJCB	
Cc1cc(O)c(C(C)C)cc1/N=N/c1ccccc1C(=O)O	5066034	QLPGFQXQBRVVFO-VHEBQXMUSA-N	298.342	4.938	10	40	CJCB	
CC[C@H](c1ccc(O)c(O)c1)[C@@H](CC)c1ccc(F)cc1	2048449	DPJZLFPEDRCZNL-JKSUJKDBSA-N	288.362	4.924	10	40	CJCB	
CCCCc1ccc(/[N+]([O-])=N\c2ccc(OC)cc2)cc1	100056995	LWPWICQRCLMVST-VHEBQXMUSA-N	284.359	4.964	10	40	CJCB	
CN(C)/N=N/c1ccc(/C=C2\C=Cc3ccccc32)cc1	1714024	QXOOINPVJXOXFR-ZMUVCXEASA-N	275.355	4.814	10	40	CJCB	
C=Cc1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1N(C)C	17748516	SAVUKFFVSWXOSO-ISLYRVAYSA-N	296.330	4.719	10	40	CJCB	
O=[N+]([O-])c1ccc(/N=N\c2c(O)ccc3ccccc23)cc1	3860831	WOTPFVNWMLFMFW-ZCXUNETKSA-N	293.282	4.869	10	40	CJCB	
CCCNCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C	223786774	FUXWCQAOKJPAOH-HNNXBMFYSA-N	288.479	4.687	10	40	CJCB	
COc1cccc(-n2c(C)ccc2-c2ccccc2F)c1	228977965	YRCZZDSWRBGNSF-UHFFFAOYSA-N	281.330	4.600	10	40	CJCB	
CCCCN1c2cc(Cl)c(CN)cc2[C@@H](C)CC1(C)C	223780851	LUWXFGSWWDHTSV-LBPRGKRZSA-N	294.870	4.691	10	40	CJCB	
CCN1c2cc(C)c(CNC(C)C)cc2C(C)=CC1(C)C	223821775	KQMYVRZDBHPVLC-UHFFFAOYSA-N	286.463	4.515	10	40	CJCB	
O=[N+]([O-])c1ccccc1/N=N\c1c(O)ccc2ccccc12	95918530	YTVNZOABECTEPK-ZCXUNETKSA-N	293.282	4.869	10	40	CJCB	
Clc1cccc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21	58850717	FBPZFYDMCSFVKP-WWGRRREGSA-N	282.774	4.562	10	40	CJCB	
COc1cccc(-n2c(C)ccc2-c2ccc(F)c(F)c2)c1	228924153	XMDXJVWJZMTJQV-UHFFFAOYSA-N	299.320	4.740	10	40	CJCB	
Nc1ccc(COc2ccc(-c3ccccc3)cc2)cc1	11804799	APASRZJRHHYGIL-UHFFFAOYSA-N	275.351	4.515	10	40	CJCB	
CCCNCc1cc2c(cc1C)N(CC)C(C)(C)C[C@H]2C	260717026	HTJFXGJUZMDJEM-OAHLLOKOSA-N	288.479	4.607	10	40	CJCB	
CCCCc1ccc(/N=N/c2ccc(N)c(C)c2N)cc1	73740084	KFXARUCAJXHVEC-QZQOTICOSA-N	282.391	4.917	10	40	CJCB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	4797940	DTYQIOJPXOFYPX-UWVAXJGDSA-N	289.378	4.716	10	40	CJCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	6935450	PWHZFFVMEAULAM-HLIPFELVSA-N	291.394	4.912	10	40	CJCB	
CN(C)c1ccc(/N=N\c2ccc(Cl)cc2)cc1	100013098	WQWHNMIYCHFRJK-MSUUIHNZSA-N	259.740	4.821	10	40	CJCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	409170189	UECZQRXLMRLBLW-JKIFEVAISA-N	283.321	4.791	10	40	CJCB	
CC(C)n1cnc2cc(NCc3ccccc3Cl)ccc21	3907428	MRPDYVOCGMGBQK-UHFFFAOYSA-N	299.805	4.883	10	40	CJCB	
CCCCN1c2ccc(CNCC)cc2[C@@H](C)CC1(C)C	223784662	HSVCGAFAJSNKSN-HNNXBMFYSA-N	288.479	4.688	10	40	CJCB	
Cc1cccc(C)c1N[C@H](C)c1cc(Cl)ccc1O	350158	NHTZGQFAVNDRPQ-GFCCVEGCSA-N	275.779	4.836	10	40	CJCB	
Cc1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)cc1	409054729	WCVWGNJXDHFYLO-GZTJUZNOSA-N	290.362	4.593	10	40	CJCB	
CC(C)c1ccc2oc(-c3ccc(N(C)C)cc3)nc2c1	216878565	CGYIYSLBQVZORG-UHFFFAOYSA-N	280.371	4.684	10	40	CJCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	14549638	HKCREDMAGAQMHT-GJYPPUQNSA-N	279.358	4.961	10	40	CJCB	
CCCCc1ccc(NCc2cccc(OCC)c2O)cc1	44836358	CGHCCCWMIUYBFS-UHFFFAOYSA-N	299.414	4.746	10	40	CJCB	
CCCNCc1ccc2c(c1)[C@H](C)CC(C)(C)N2CCC	223786708	LSRLTRPSOXNLCH-OAHLLOKOSA-N	288.479	4.688	10	40	CJCB	
CCOc1cccc(CNc2cccc(C(C)C)c2)c1O	19989992	BLWUAYRSOIPQTL-UHFFFAOYSA-N	285.387	4.526	10	40	CJCB	
Cc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	409157075	VJXLDHWZVKSOGW-KVSKMBFKSA-N	279.358	4.961	10	40	CJCB	
COc1ccc(/N=N/c2ccc3ccccc3c2)c(O)c1	100717099	SSZAIJWRZRKITC-VHEBQXMUSA-N	278.311	4.969	10	40	CJCB	
Fc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	4110489	TYQSVLSDEJEKSY-JJRVBVJISA-N	265.331	4.652	10	40	CJCB	
Cc1cccc2c(O)c(/N=N/c3ccc(N)cc3)ccc12	87492887	PBEAIQJHCRYKIL-FMQUCBEESA-N	277.327	4.851	10	40	CJCB	
Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	58850586	FRMLOSBBKIIHEG-IIYDPXPESA-N	282.774	4.562	10	40	CJCB	
Fc1cccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)c1	205463697	ABSJFFVUIFNTGI-MPGHIAIKSA-N	283.321	4.791	10	40	CJCB	
c1ccn(-c2ccc(-c3noc(C4CCCCC4)n3)cc2)c1	1423434	SPMWUEBDFCXFCM-UHFFFAOYSA-N	293.370	4.575	10	40	CJCB	
CCCN1c2ccc(CNC(C)C)cc2C(C)=CC1(C)C	223821497	IAMFTQSRITYCMX-UHFFFAOYSA-N	286.463	4.597	10	40	CJCB	
CC(=O)c1ccc(/N=N/c2ccc(C(C)=O)cc2)cc1	71256924	YLDZLMYBCBYPPZ-ISLYRVAYSA-N	266.300	4.507	10	40	CJCB	
CC(=O)c1cccc(-n2c(C)ccc2-c2ccccc2)c1	5589205	HMAICVAPBCNLIN-UHFFFAOYSA-N	275.351	4.655	10	40	CJCB	
CCCCOc1ccc(/N=N/c2cc(O)ccc2O)cc1	35585914	AKDKFKWUEYZZMZ-ISLYRVAYSA-N	286.331	4.692	10	40	CJCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	409151652	CRNQDKMKKXHCRB-VFVRVIDISA-N	283.321	4.791	10	40	CJCB	
Fc1cccc(F)c1C1Nc2cccc3cccc(c23)N1	70453989	LHHVVMKQWXJYEH-UHFFFAOYSA-N	282.293	4.654	10	40	CJCB	
CC(C)NCc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C	223788857	DJIYPAKFQGSWHC-OAHLLOKOSA-N	288.479	4.685	10	40	CJCB	
O=[N+]([O-])c1ccc(N=Nc2ccc(O)c3ccccc23)cc1	12358681	MDLLSWJQIIAUQU-UHFFFAOYSA-N	293.282	4.869	10	40	CJCB	
Cc1ccc2oc(-c3ccc(-n4cccc4)cc3)nc2c1	226281089	XTIKKWDYZHQIMT-UHFFFAOYSA-N	274.323	4.594	10	40	CJCB	
CN(C)Cc1cc(/N=N/c2cccc(Cl)c2)ccc1O	6005892	BGXQXXGWRMMVPZ-ISLYRVAYSA-N	289.766	4.523	10	40	CJCB	
Cc1ccc(NCc2cc(Cl)ccc2O)c(Cl)c1	20471193	KZPMJNNVIGDBTF-UHFFFAOYSA-N	282.170	4.620	10	40	CJCB	
O=[N+]([O-])c1ccccc1/N=N/c1cc(O)cc2ccccc12	110297463	NDFHVMRZENKFLA-ISLYRVAYSA-N	293.282	4.869	10	40	CJCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	226808007	PWHZFFVMEAULAM-FUHIMQAGSA-N	291.394	4.912	10	40	CJCB	
CN(C)/N=N/c1ccc(/C=C2/C=Cc3ccccc32)cc1	16925405	QXOOINPVJXOXFR-MKBQBHTGSA-N	275.355	4.814	10	40	CJCB	
COc1ccccc1N=Nc1c(O)ccc2ccccc12	254702107	ALLOLPOYFRLCCX-UHFFFAOYSA-N	278.311	4.969	10	40	CJCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	409151645	CRNQDKMKKXHCRB-FHSNZYRGSA-N	283.321	4.791	10	40	CJCB	
CC(=O)c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	113688397	QRUUQQGOIDKBMF-UHFFFAOYSA-N	282.170	4.604	10	40	CJCB	
CCc1ccc(/N=N/c2c(F)c(F)c(N)c(F)c2F)cc1	18140956	IYQOYJXTJWMAJV-QZQOTICOSA-N	297.255	4.803	10	40	CJCB	
CN(C)c1ccc(/C=C/c2ccnc3ccccc23)c(F)c1	6374990	XJQYJXNMNZHVKG-BQYQJAHWSA-N	292.357	4.610	10	40	CJCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2	6967027	FNILAIFHIHKQEA-MDZRGWNJSA-N	279.358	4.961	10	40	CJCB	
CCNCc1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C	260726574	ZDWXRLKHTODTLM-OAHLLOKOSA-N	288.479	4.605	10	40	CJCB	
Cc1ccc(-c2ccccn2)n1-c1ccc(C(C)C)cc1	199746278	FGIWFOGOONIJOT-UHFFFAOYSA-N	276.383	4.971	10	40	CJCB	
COc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	409164003	BDAXQWHUTCTILG-IIDMSEBBSA-N	295.357	4.661	10	40	CJCB	
CN(C)/N=N\c1ccc(/C=C2/C=Cc3ccccc32)cc1	100374415	QXOOINPVJXOXFR-OROSMMNWSA-N	275.355	4.814	10	40	CJCB	
Fc1cccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)c1	7098213	GNHUKOQXIWVUQT-KYJSFNMBSA-N	265.331	4.652	10	40	CJCB	
Cc1cc(O)c(CN(C2CCCC2)C2CC2)cc1C(C)C	58789439	UQJNEODXMNLPFY-UHFFFAOYSA-N	287.447	4.731	10	40	CJCB	
CN(C)Cc1cc(/N=N\c2ccccc2Cl)ccc1O	104312676	BCAAUQURENEARX-ZCXUNETKSA-N	289.766	4.523	10	40	CJCB	
Cc1ccc(-c2ccccc2)n1-c1cccc(F)c1	8413429	OGNCYKRCDNIBRX-UHFFFAOYSA-N	251.304	4.592	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@H]21	4004322	KHNWOFQSFYTZKW-MPGHIAIKSA-N	296.801	4.870	10	40	CJCB	
C=Cc1cc(/N=N\c2ccc([N+](=O)[O-])cc2)ccc1N(C)C	104039232	SAVUKFFVSWXOSO-ZCXUNETKSA-N	296.330	4.719	10	40	CJCB	
CCCCCCC1Nc2cccc3cccc(c23)N1	1581299	ZWJUCBQPXPZYAH-UHFFFAOYSA-N	254.377	4.974	10	40	CJCB	
CC(=O)c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	32128221	YMGLQZWRMDATAO-UHFFFAOYSA-N	282.170	4.604	10	40	CJCB	
[O-]/[N+](=N\c1ccc(Cl)cc1)c1ccc(Cl)cc1	18127919	NMAZIJPSESMWSA-NXVVXOECSA-N	267.115	4.919	10	40	CJCB	
Fc1cccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)c1	205463668	ABSJFFVUIFNTGI-DAYGRLMNSA-N	283.321	4.791	10	40	CJCB	
CCCNCc1cc2c(cc1C)N(CC)C(C)(C)C=C2C	223801680	ZRGQTNKFLXYBEK-UHFFFAOYSA-N	286.463	4.516	10	40	CJCB	
Fc1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1	4124404	MDNOVRZDHWCOMZ-KEYYUXOJSA-N	283.321	4.791	10	40	CJCB	
CCc1c(-c2ccc(C)cc2)cn2c1-c1ccc(C)n1CC2	970505	WKGHLVUISZBWLU-UHFFFAOYSA-N	290.410	4.816	10	40	CJCB	
CCc1ccc(O)c(/N=N/c2ccc(C(C)=O)cc2)c1	5877369	IJCUGVLXFDXCRP-ISLYRVAYSA-N	268.316	4.573	10	40	CJCB	
COc1cccc(-n2c(C)ccc2-c2cccc(F)c2)c1	199744345	JRMWIRXKBLCFME-UHFFFAOYSA-N	281.330	4.600	10	40	CJCB	
c1ccc(CNc2ccccc2NCc2ccccc2)cc1	1627390	KVTYPAGEBUKXFV-UHFFFAOYSA-N	288.394	4.911	10	40	CJCB	
CC(C)NCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C	223788795	DJIYPAKFQGSWHC-HNNXBMFYSA-N	288.479	4.685	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	409156027	SQDGDZBBHHJROE-JTDSTZFVSA-N	295.357	4.661	10	40	CJCB	
CCc1ccc2oc(-c3ccc(-n4cccc4)cc3)nc2c1	226281079	VDZTWBWZZOHHMY-UHFFFAOYSA-N	288.350	4.848	10	40	CJCB	
Nc1ccc(N=Nc2ccc(C(F)(F)F)cc2)cc1	256365745	YJPKSWNLIDWGNJ-UHFFFAOYSA-N	265.238	4.703	10	40	CJCB	
COc1cccc(-n2c(C)ccc2-c2ccc(F)cc2)c1	199745191	BFCBBZGSWAGFDB-UHFFFAOYSA-N	281.330	4.600	10	40	CJCB	
CN(C)c1ccc(/N=N\c2ccc3ncccc3c2)cc1	102824085	AJMNTQQJNZQACD-VXPUYCOJSA-N	276.343	4.716	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21	6721378	SQDUIPZNGIDXNR-IIDMSEBBSA-N	296.801	4.870	10	40	CJCB	
CC(=O)N(Cl)c1ccc(/N=N/c2ccccc2)cc1	18207916	KZBVHPXZBKJQLJ-WUKNDPDISA-N	273.723	4.609	10	40	CJCB	
Cc1cc(C)c(C(=O)C(=O)c2c(C)cc(C)cc2C)c(C)c1	2359836	WCDCASRNSNBIFI-UHFFFAOYSA-N	294.394	4.603	10	40	CJCB	
Cc1ccc([C@](C)(N=[N+]=[N-])c2ccccc2)cc1C	5004430	YMDWPNISGBBNHN-MRXNPFEDSA-N	251.333	4.877	10	40	CJCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	226808019	PWHZFFVMEAULAM-MBOZVWFJSA-N	291.394	4.912	10	40	CJCB	
CCCCCC[C@@H](C)c1cc(C)c(O)c(CN(C)C)c1	5524148	QNNWHUIQCOBLLA-CQSZACIVSA-N	277.452	4.836	10	40	CJCB	
Fc1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@@H]21	409153122	KUNGRNMZMXOACJ-NVGCLXPQSA-N	283.321	4.791	10	40	CJCB	
c1cc2c3c(cccc3c1)NC(C1CCCCC1)N2	1575685	IROQKXZYPCHLEF-UHFFFAOYSA-N	252.361	4.584	10	40	CJCB	
Fc1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1	4140474	CUZKSHUSJWGIED-HFTRVMKXSA-N	265.331	4.652	10	40	CJCB	
CCCCN1c2cc(Cl)c(CN)cc2C(C)=CC1(C)C	223796235	JTAXMDKKTDWXDY-UHFFFAOYSA-N	292.854	4.601	10	40	CJCB	
COc1cccc(/N=N/c2ccc3ccccc3c2O)c1	100717104	NYYNVKONGLWQQD-VHEBQXMUSA-N	278.311	4.969	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@H]21	4450148	SQDUIPZNGIDXNR-MPGHIAIKSA-N	296.801	4.870	10	40	CJCB	
CN(C)c1ccc(/C=C\C=C2\C=Cc3ccccc32)cc1	17380307	VHPHZHGXMQEQLQ-GLJROKQKSA-N	273.379	4.876	10	40	CJCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	409170183	UECZQRXLMRLBLW-CKEIUWERSA-N	283.321	4.791	10	40	CJCB	
COc1ccccc1/N=N\c1ccc(Br)cc1	100854687	UDNAOKMKOHEGDC-NXVVXOECSA-N	291.148	4.873	10	40	CJCB	
CCN(CC)c1ccc(/C=C/c2nc3ccccc3[nH]2)cc1	17014653	IFYRZIXMGSHBHA-SDNWHVSQSA-N	291.398	4.580	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	14549582	PBFINGWXXQJMFB-GJYPPUQNSA-N	295.357	4.661	10	40	CJCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	6967030	IKDXJGYHRGZHSX-PJIJBLCYSA-N	279.358	4.961	10	40	CJCB	
CN(C)c1ccc(/N=N/c2cccc3ccoc23)cc1	18068040	LHVRXAUETJRESN-ISLYRVAYSA-N	265.316	4.914	10	40	CJCB	in-vitro
CNc1ccc(/N=N\c2cccc3ncccc23)cc1	102815737	LJGFJKWOMPUOBR-VXPUYCOJSA-N	262.316	4.692	10	40	CJCB	
COc1ccccc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@@H]21	226861721	XEJLAZHQAVJFRC-FHSNZYRGSA-N	295.357	4.661	10	40	CJCB	
CN(C)c1ccc(/N=N/c2ccc3ncccc3c2)cc1	18033176	AJMNTQQJNZQACD-FMQUCBEESA-N	276.343	4.716	10	40	CJCB	
C1=C[C@@H]2c3cccc4c3N(C[C@H]2C1)c1ccccc1S4	314619	COHWOKHTBHDDGG-OLZOCXBDSA-N	277.392	4.963	10	40	CJCB	
Nc1ccc(Oc2ccccc2Cc2ccccc2)cc1	14630131	WXGBMRMSRIVQEK-UHFFFAOYSA-N	275.351	4.652	10	40	CJCB	in-vitro
Fc1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1	4181756	MDNOVRZDHWCOMZ-VBQJREDUSA-N	283.321	4.791	10	40	CJCB	
Cn1nc(-c2ccccc2)c2cccc-2c1-c1ccccc1	973270	UGQBWAARCFJMKR-UHFFFAOYSA-N	284.362	4.859	10	40	CJCB	biogenic
Fc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1	4140475	CUZKSHUSJWGIED-LESCRADOSA-N	265.331	4.652	10	40	CJCB	
CN(C)c1ccc(/[N+]([O-])=N\c2ccc3ccccc3c2)cc1	104270776	DITXVDWIAHFPKI-XUTLUUPISA-N	291.354	4.832	10	40	CJCB	
COc1ccc(C)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	409151480	BRKQTWUHUXTCRK-GPMSIDNRSA-N	291.394	4.830	10	40	CJCB	
O=Cc1cc(/N=N\c2cccc(C(F)(F)F)c2)ccc1O	101954536	QCIXFPPANUHLRW-HNENSFHCSA-N	294.232	4.639	10	40	CJCB	
Fc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	2481623	TYQSVLSDEJEKSY-JKIFEVAISA-N	265.331	4.652	10	40	CJCB	
O=[N+]([O-])c1ccc(N/N=N/c2cccc3ccccc23)cc1	17327087	HOSZIQGPZXDXIY-UHFFFAOYSA-N	292.298	4.859	10	40	CJCB	
COc1cc(/N=N/c2ccccc2)c(O)c2ccccc12	100020046	BXLAAHNBFBOJPG-VHEBQXMUSA-N	278.311	4.969	10	40	CJCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	409151650	CRNQDKMKKXHCRB-VBHSOAQHSA-N	283.321	4.791	10	40	CJCB	
Fc1ccccc1[C@@H]1Nc2ccccc2[C@H]2C=CC[C@@H]21	4959859	SGLXEWDVTIRORE-UVBSCNOISA-N	265.331	4.652	10	40	CJCB	
CCCNCc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C	223786827	FUXWCQAOKJPAOH-OAHLLOKOSA-N	288.479	4.687	10	40	CJCB	
Fc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)c1	409156229	NDFCXQNOBBFFIT-CPUCHLNUSA-N	283.321	4.791	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@@H]21	409154179	JXFJXWTVXRPKQF-LBTNJELSSA-N	296.801	4.870	10	40	CJCB	
CN(C)c1ccc(/C=C/C2=Nc3ccccc3C2(C)C)cc1	5305316	SXGAOGLBVSAZEI-SDNWHVSQSA-N	290.410	4.830	10	40	CJCB	
COc1ccc(/N=N\c2c(O)ccc3ccccc23)cc1	103295767	XYVPTQBXFHRJJR-HNENSFHCSA-N	278.311	4.969	10	40	CJCB	
CCNc1nc(-c2cc(C)n(-c3ccccc3)c2C)cs1	3207107	XEEZKWGRBRMFMS-UHFFFAOYSA-N	297.427	4.649	10	40	CJCB	
Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1	19964501	IXMDMCUYZFJMRC-UHFFFAOYSA-N	282.170	4.620	10	40	CJCB	
C[C@@H](Nc1ccc(Cl)cc1)c1cc(Cl)ccc1O	350138	GQHPWIMPJMNDDD-SECBINFHSA-N	282.170	4.872	10	40	CJCB	
COc1ccc(C)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	409151481	BRKQTWUHUXTCRK-JTDSTZFVSA-N	291.394	4.830	10	40	CJCB	
Cc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	6968684	VJXLDHWZVKSOGW-SZVBFZGTSA-N	279.358	4.961	10	40	CJCB	
Cc1ccc(-c2cn3c(c2C)-c2ccc(C)n2CC3)cc1	271209	SDHBVRQNQTXSMT-UHFFFAOYSA-N	276.383	4.562	10	40	CJCB	
COc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1	13635085	SVKBVHANMSXJQH-UWVAXJGDSA-N	291.394	4.830	10	40	CJCB	
CCc1ccc(O)c(/N=N/c2ccc(C)c(C)c2)c1	4671822	SLODPXJLGGQSJE-ISLYRVAYSA-N	254.333	4.987	10	40	CJCB	
CCN(CC)c1ccc(-c2nc3ccccc3s2)cc1	1665335	ADRCREMWPUFGDU-UHFFFAOYSA-N	282.412	4.810	10	40	CJCB	
CN(C)Cc1cc(C(C)(C)C)cc(C2CCCCC2)c1O	1706362	SXKSXRPDWJIDFZ-UHFFFAOYSA-N	289.463	4.799	10	40	CJCB	
COc1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@H]21	8169413	XEJLAZHQAVJFRC-VEVIJQCQSA-N	295.357	4.661	10	40	CJCB	
CCOC(=O)c1ccc(/N=N/c2c[nH]c3ccccc23)cc1	18191566	DOJQGFNTKDCDON-FMQUCBEESA-N	293.326	4.760	10	40	CJCB	
[O-][N+](=Nc1cccc(Cl)c1)c1cccc(Cl)c1	104065991	SXCDGVDBGGCCLV-UHFFFAOYSA-N	267.115	4.919	10	40	CJCB	
CC(C)c1ccc(/C=C2\C=C(c3ccccc3)OC2=O)cc1	409053599	NMJQECQZOZFVIP-LDADJPATSA-N	290.362	4.791	10	40	CJCB	
Fc1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1	1053929	MDNOVRZDHWCOMZ-JJRVBVJISA-N	283.321	4.791	10	40	CJCB	
COc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)c1	226904167	YSPVQXGGEHZRFY-GJYPPUQNSA-N	295.357	4.661	10	40	CJCB	
CCc1cc(N(C)C)ccc1/N=N/c1ccc([N+](=O)[O-])cc1	18007368	NWDXABNZVRJBKA-ISLYRVAYSA-N	298.346	4.639	10	40	CJCB	
COc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)c1	20755357	FJXHWDQOMCPJPN-RKVPGOIHSA-N	295.357	4.661	10	40	CJCB	
c1cc2c3c(cccc3c1)NC(c1c[nH]c3ccccc13)N2	405723	OFXWNHVVQHXPAO-UHFFFAOYSA-N	285.350	4.857	10	40	CJCB	
CCc1cc(N(C)C)ccc1/N=N\c1ccc([N+](=O)[O-])cc1	104039268	NWDXABNZVRJBKA-ZCXUNETKSA-N	298.346	4.639	10	40	CJCB	
CC(C)(C)CC(C)(C)NCc1ccc(N2CCCC2)cc1	6857385	DMASBIQSVYYNET-UHFFFAOYSA-N	288.479	4.591	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	409171147	ZAUMNCCJXOSROD-TYILLQQXSA-N	295.357	4.661	10	40	CJCB	
Fc1ccccc1[C@@H]1Nc2ccccc2[C@H]2C=CC[C@H]21	4959861	SGLXEWDVTIRORE-RVZJWNSFSA-N	265.331	4.652	10	40	CJCB	
Cc1cc(-n2c(C)ccc2-c2ccccc2)ccc1F	266617	RSOSEJXHVRCFLK-UHFFFAOYSA-N	265.331	4.900	10	40	CJCB	
O=C1c2ccccc2-c2nc3ccc4ccccc4c3cc21	1440364	DAFPXXKUFKALKG-UHFFFAOYSA-N	281.314	4.599	10	40	CJCB	
Cc1ccc(C)n1-c1ccccc1CN(C)C1CCCCC1	2647824	VPRQZVKGSKAVAV-UHFFFAOYSA-N	296.458	4.859	10	40	CJCB	
O=C(Nc1ccc(/N=N\c2ccccc2)cc1)C(F)(F)F	104082863	IOOZXEIYKDRVSR-VXPUYCOJSA-N	293.248	4.603	10	40	CJCB	
COc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	409167219	HLBIICCISDPQQG-VFVRVIDISA-N	295.357	4.661	10	40	CJCB	
CCOc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	6935688	QXBNULWBUYSJCY-TXPKVOOTSA-N	291.394	4.912	10	40	CJCB	
CC(=O)N(Cl)c1ccc(/N=N/c2ccccc2)cc1F	18053891	TZWIGDKAODCNLW-ISLYRVAYSA-N	291.713	4.748	10	40	CJCB	
Brc1ccc(/N=N\c2ccccc2)cc1	100184302	SVJSEJOASMWXGQ-PFONDFGASA-N	261.122	4.865	10	40	CJCB	
O=Cc1cc(/N=N/c2ccc(Cl)c(Cl)c2)ccc1O	70462744	JGQPWSKEIUSHBJ-WUKNDPDISA-N	295.125	4.927	10	40	CJCB	
O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c3ccccc23)cc1	100007143	MDLLSWJQIIAUQU-ISLYRVAYSA-N	293.282	4.869	10	40	CJCB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)ccc1-c1ccccc1	8413386	GGQWFYXDTAWVDG-UHFFFAOYSA-N	292.338	4.669	10	40	CJCB	
CCOc1ccc(/N=N/c2cc(C)ccc2O)cc1	4828576	RVBLBXYCACHTLV-WUKNDPDISA-N	256.305	4.515	10	40	CJCB	
C[C@H](Nc1ccc(Cl)cc1)c1cc(Cl)ccc1O	350136	GQHPWIMPJMNDDD-VIFPVBQESA-N	282.170	4.872	10	40	CJCB	
CC(C)NCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	223789550	YDZUVHASJMBBDB-LBPRGKRZSA-N	294.870	4.560	10	40	CJCB	
CN(C)c1ccc(CNc2ccc(Cl)cc2Cl)cc1	20562424	CVDIELITJALCJV-UHFFFAOYSA-N	295.213	4.672	10	40	CJCB	
Nc1ccc2c3ccccc3c3nc4ccccc4nc3c2c1	4762627	WTEVQRWHDKEZDT-UHFFFAOYSA-N	295.345	4.672	10	40	CJCB	
CCCCNCc1cc(C)n(-c2ccc(Cl)cc2)c1C	223671553	DTFQXBZUSLXFFU-UHFFFAOYSA-N	290.838	4.637	10	40	CJCB	
CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	6935413	PWHZFFVMEAULAM-UWVAXJGDSA-N	291.394	4.912	10	40	CJCB	
Clc1ccc2oc(-c3ccc(-n4cccc4)cc3)nc2c1	226281171	BVHUGDGTRVLZIF-UHFFFAOYSA-N	294.741	4.939	10	40	CJCB	
CCc1ccc(/N=N/c2ccc(OC(C)=O)cc2)cc1	5674306	UUTFOJJEWSRABS-ISLYRVAYSA-N	268.316	4.590	10	40	CJCB	
Cc1cccc2c(-c3ccccc3)c3cccc[n+]3cc12	1578104	WDNGDSDLZSSIEJ-UHFFFAOYSA-N	270.355	4.554	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	6954212	ZAUMNCCJXOSROD-BIENJYKASA-N	295.357	4.661	10	40	CJCB	
CCCCN(CCCC)Cc1c(O)ccc2ccccc12	5596412	BKKFHONHOYFZOP-UHFFFAOYSA-N	285.431	4.948	10	40	CJCB	
CC[n+]1c(-c2ccc(C)cc2)csc1Nc1ccccc1	1455038	ASLJEXHAPBGWNK-UHFFFAOYSA-O	295.431	4.775	10	40	CJCB	
CN(C)c1ccc(/N=N\c2cccc3ccoc23)cc1	100133307	LHVRXAUETJRESN-ZCXUNETKSA-N	265.316	4.914	10	40	CJCB	in-vitro
CNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C	260714420	CKJXFMUPLBGYPT-GFCCVEGCSA-N	294.870	4.560	10	40	CJCB	
C[N+](C)(C)c1ccc(/C=C/c2ccc3ccccc3n2)cc1	5336345	HVEOWOAYACQWGE-XYOKQWHBSA-N	289.402	4.602	10	40	CJCB	
CN(C)Cc1cc(/N=N/c2ccc(Cl)cc2)ccc1O	6005895	ARKLCDXQRNTCON-ISLYRVAYSA-N	289.766	4.523	10	40	CJCB	
Fc1cccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)c1	7098202	GNHUKOQXIWVUQT-LESCRADOSA-N	265.331	4.652	10	40	CJCB	
O=C(/N=N\c1ccccc1)Nc1ccc(Cl)cc1	104224947	CSFBDEJNRPISAL-MSUUIHNZSA-N	259.696	4.656	10	40	CJCB	
Cc1ccc(-n2c(C)ccc2-c2ccccc2)cc1[N+](=O)[O-]	8413149	VYKOYFLCBVJFEZ-UHFFFAOYSA-N	292.338	4.669	10	40	CJCB	
Cc1cc(N)ccc1/N=N\c1ccc(Br)cc1	104260759	DTLYXAPFDBWNND-MSUUIHNZSA-N	290.164	4.755	10	40	CJCB	
Cc1ccc(C(=S)SCc2ccccc2)cc1	71256981	XEFQYDJMGWTVNB-UHFFFAOYSA-N	258.411	4.604	10	40	CJCB	
COc1ccc(/N=N/c2ccc(OC)cc2C)c(C)c1	17820395	PFRACQVWCUZOPC-ISLYRVAYSA-N	270.332	4.736	10	40	CJCB	
CCc1ccc(/N=[N+](/[O-])c2ccc(CC)cc2)cc1	102312973	CJBOLQFDHYYOIK-ISLYRVAYSA-N	254.333	4.737	10	40	CJCB	
CN(C)c1c(F)c(F)c(/N=N\c2ccccc2)c(F)c1F	104091550	CWFCHCMZFKIZTD-VXPUYCOJSA-N	297.255	4.724	10	40	CJCB	
CC[C@H](c1ccc(F)cc1)[C@H](CC)c1ccc(O)c(O)c1	1664650	DPJZLFPEDRCZNL-HZPDHXFCSA-N	288.362	4.924	10	40	CJCB	
Cc1ccc([C@H](N=[N+]=[N-])c2coc3ccccc3c2=O)cc1	4277067	XLDXSPCSYUUOTP-INIZCTEOSA-N	291.310	4.501	10	40	CJCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2	6967022	FNILAIFHIHKQEA-GJYPPUQNSA-N	279.358	4.961	10	40	CJCB	
Oc1ccccc1/N=N/c1c(O)ccc2ccccc12	18043362	QFHZPBSLCHTFBB-ISLYRVAYSA-N	264.284	4.666	10	40	CJCB	
[O-][N+](=Nc1ccccc1Cl)c1ccccc1Cl	104054177	NKUNBLUACJUHOA-UHFFFAOYSA-N	267.115	4.919	10	40	CJCB	
CCC1=CC[C@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@H]2C1	104219571	FROXBFFUEMSJAW-CVEARBPZSA-N	290.362	4.581	10	40	CJCB	
CCN1c2cc(C)c(CNC(C)C)cc2[C@H](C)CC1(C)C	260725471	WPQOMCLABUMWJU-OAHLLOKOSA-N	288.479	4.605	10	40	CJCB	
Cc1ccc(/N=N\c2ccc3oc(=O)ccc3c2)cc1	102118190	YEESIYOIVCQHMN-ZCXUNETKSA-N	264.284	4.517	10	40	CJCB	
CC(=O)N(Cl)c1ccc(/N=N\c2ccccc2)cc1	104394928	KZBVHPXZBKJQLJ-MSUUIHNZSA-N	273.723	4.609	10	40	CJCB	
Cc1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1	4181762	SLEQAYVVZGJZFM-MPGHIAIKSA-N	279.358	4.961	10	40	CJCB	
Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	5010638	XTJBUPXVQDLXRF-UHFFFAOYSA-N	285.350	4.714	10	40	CJCB	
CCSc1ncc(-c2ccccc2)n1Cc1ccccc1	44085417	DOGBXWDWBWDCRR-UHFFFAOYSA-N	294.423	4.710	10	40	CJCB	
Cc1cc(/N=N\c2ccccc2)c2cccnc2c1N	104149280	VBTBAMUHGMYKSN-VXPUYCOJSA-N	262.316	4.541	10	40	CJCB	
Cc1cccc2c(/C=C\c3ccc(N(C)C)cc3)ccnc12	17047264	GRWFIWHHGVXOKK-YFHOEESVSA-N	288.394	4.780	10	40	CJCB	
Cc1cc(O)c(/N=N/c2cc(C)c(C)cc2[N+](=O)[O-])cc1C	18066655	ILXKHBWROURBRT-ISLYRVAYSA-N	299.330	4.949	10	40	CJCB	
Fc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	4110491	TYQSVLSDEJEKSY-GRDNDAEWSA-N	265.331	4.652	10	40	CJCB	
CCCCN1c2cc(C)c(CNC)cc2[C@H](C)CC1(C)C	260725292	UJYRDZYXQBBWRU-OAHLLOKOSA-N	288.479	4.607	10	40	CJCB	
CCC(C)(C)c1ccc(Oc2ccc(N)cc2)cc1	3175909	WBBJEKAHJPQRFN-UHFFFAOYSA-N	255.361	4.749	10	40	CJCB	in-vitro
O=Cc1ccc(CC2CCCCC2)n1Cc1ccc(F)cc1	226024306	PMTANPBBTXMHBL-UHFFFAOYSA-N	299.389	4.611	10	40	CJCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	409151974	IKDXJGYHRGZHSX-TYILLQQXSA-N	279.358	4.961	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccn1)[C@@H]1CC=C[C@H]21	6963538	JXFJXWTVXRPKQF-IYOUNJFTSA-N	296.801	4.870	10	40	CJCB	
COc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	226798134	WFUUKUXMRXRNIC-GJYPPUQNSA-N	295.357	4.661	10	40	CJCB	
c1ccc2sc(-c3ccc(N4CCCCC4)cc3)nc2c1	7099501	BHFKKUXIVIGKEQ-UHFFFAOYSA-N	294.423	4.954	10	40	CJCB	
CCN(CC)c1ccc(/N=N/c2cccc([N+](=O)[O-])c2)cc1	96180966	JXLGMTRDRVBTID-ISLYRVAYSA-N	298.346	4.856	10	40	CJCB	
Cc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)c(C)c1	350147	PKWAMUVVCDOLOE-LBPRGKRZSA-N	275.779	4.836	10	40	CJCB	
Nc1c(Cl)cc(/N=N/c2ccccc2)cc1Cl	18194036	CGFOMWCQKNHSOI-WUKNDPDISA-N	266.131	4.991	10	40	CJCB	
Cc1ccccc1-c1ccc(C)n1-c1ccc(N(C)C)cc1	228932304	PSPBXRQDOXPKIX-UHFFFAOYSA-N	290.410	4.827	10	40	CJCB	
Cc1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1	3636238	SLEQAYVVZGJZFM-DAYGRLMNSA-N	279.358	4.961	10	40	CJCB	
COc1cccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)c1	8168412	YSPVQXGGEHZRFY-FCEWJHQRSA-N	295.357	4.661	10	40	CJCB	
Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)cc1	20584931	YOYVPLVGGKFCCB-UHFFFAOYSA-N	276.339	4.805	10	40	CJCB	
CCc1ccc2oc(-c3ccc(N(CC)CC)cc3)nc2c1	216878363	NBRAVMOINZZFSU-UHFFFAOYSA-N	294.398	4.903	10	40	CJCB	
Cc1cc(N)ccc1/N=N/c1ccc(Br)cc1	4774664	DTLYXAPFDBWNND-WUKNDPDISA-N	290.164	4.755	10	40	CJCB	
Cc1ccccc1NCc1cc(Cl)cc(Cl)c1O	19965062	PEPUIGBXWOWVGQ-UHFFFAOYSA-N	282.170	4.620	10	40	CJCB	
CN(C)Cc1cc(/N=N\c2cccc(Cl)c2)ccc1O	104312682	BGXQXXGWRMMVPZ-ZCXUNETKSA-N	289.766	4.523	10	40	CJCB	
CCCNCc1cc(C)n(-c2ccc(Cl)cc2C)c1C	223672629	BNIZTWRMHSWXIP-UHFFFAOYSA-N	290.838	4.556	10	40	CJCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	409151648	CRNQDKMKKXHCRB-SNUQEOBHSA-N	283.321	4.791	10	40	CJCB	
Cc1ccc(C)n1-c1cc(Cl)ccc1N1CCCCC1	2654119	MWSZSZTWRMNOJX-UHFFFAOYSA-N	288.822	4.738	10	40	CJCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	409166633	FNILAIFHIHKQEA-JTDSTZFVSA-N	279.358	4.961	10	40	CJCB	
O=[N+]([O-])c1ccccc1/N=N/c1c(O)ccc2ccccc12	17324444	YTVNZOABECTEPK-ISLYRVAYSA-N	293.282	4.869	10	40	CJCB	
Cc1ccc(N[C@H](C)c2cc(Cl)ccc2O)cc1C	350155	DPJCVCFHQDYLAA-GFCCVEGCSA-N	275.779	4.836	10	40	CJCB	
CCN(CC)c1ccc(-c2nc3cc(C)cc(C)c3o2)cc1	216878432	AZRRSIVZLHMHSZ-UHFFFAOYSA-N	294.398	4.958	10	40	CJCB	
CN(C)c1c(F)c(F)c(/N=N/c2ccccc2)c(F)c1F	17427008	CWFCHCMZFKIZTD-FMQUCBEESA-N	297.255	4.724	10	40	CJCB	
O=Cc1cc(/N=N/c2ccc(Cl)cc2Cl)ccc1O	105669295	QRPRJVOCBOLJNX-WUKNDPDISA-N	295.125	4.927	10	40	CJCB	
Cc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21	409335411	WTKTZRABUXKRHF-GBJTYRQASA-N	297.829	4.801	10	40	CJCB	
CCCCc1ccc(/[N+]([O-])=N/c2ccc(OC)cc2)cc1	5193560	LWPWICQRCLMVST-HNENSFHCSA-N	284.359	4.964	10	40	CJCB	
Oc1ccc2ccccc2c1CNc1ccc(Cl)cc1	1679822	CJSKBHKIZJSZAP-UHFFFAOYSA-N	283.758	4.811	10	40	CJCB	
COc1ccc(Cn2c(C)ccc2-c2ccccc2)cc1	8550923	ALVYZVGORURQDO-UHFFFAOYSA-N	277.367	4.520	10	40	CJCB	
Cc1ccc(-c2cccnc2)n1-c1ccc(C(C)C)cc1	199766641	PHSHLJOBIWFIHF-UHFFFAOYSA-N	276.383	4.971	10	40	CJCB	
Fc1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1	4155595	CSVQSQUSQOIXQM-HDMKZQKVSA-N	283.321	4.791	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	6954202	ZAHIULLYQBFCEU-GJYPPUQNSA-N	277.367	4.522	10	40	CJCB	
Cc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	409157548	RAGKRNFGJCBIFW-VDZJLULYSA-N	261.368	4.822	10	40	CJCB	
CN(C)c1ccc(/N=N\c2cccc(Cl)c2)cc1	100015593	ZWJXJMMRLCEJAL-MSUUIHNZSA-N	259.740	4.821	10	40	CJCB	
CCN(CC)c1ccc(CNC(C)(C)CC(C)(C)C)cc1	6869655	JQMQEOGUGMAZOY-UHFFFAOYSA-N	290.495	4.837	10	40	CJCB	
COc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)c1	20755080	YSPVQXGGEHZRFY-MDZRGWNJSA-N	295.357	4.661	10	40	CJCB	
Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	4975192	CNOGIHIYJOKAKD-DAYGRLMNSA-N	265.331	4.652	10	40	CJCB	
CCc1ccc(/N=N\c2ccc(N(C)C)cc2)cc1	104081771	DGQBCKAZUSBZND-ZCXUNETKSA-N	253.349	4.730	10	40	CJCB	
CN(C)c1ccc(/C=C\c2ccnc3ccccc23)c(F)c1	17047268	XJQYJXNMNZHVKG-FPLPWBNLSA-N	292.357	4.610	10	40	CJCB	
Cc1cc(N(C)C)ccc1/C=C\c1ccnc2ccccc12	17062623	JKZSLJICFCDKBY-HJWRWDBZSA-N	288.394	4.780	10	40	CJCB	
Cc1ccccc1/N=N/c1sc(=N)[nH]c1-c1ccccc1	104108798	WCNCGGNCFOSVPU-FMQUCBEESA-N	294.383	4.946	10	40	CJCB	
S=C(c1ccc(Cl)cc1)c1ccccc1Cl	228968274	BMAUGWTZFOTUOB-UHFFFAOYSA-N	267.180	4.760	10	40	CJCB	
Cc1[nH]c(=N)sc1/N=N\c1ccc(Cl)cc1Cl	104125005	MYBGVGFLMIRUBY-NXVVXOECSA-N	287.175	4.586	10	40	CJCB	
Fc1ccc(C2Nc3cccc4cccc(c34)N2)c(F)c1	70453986	PLBYQTLKPAWRNN-UHFFFAOYSA-N	282.293	4.654	10	40	CJCB	
Cc1ncc(/N=N\c2ccccc2)c(-c2ccccc2)n1	13142550	HZUOAIKKERTFQU-MRCUWXFGSA-N	274.327	4.867	10	40	CJCB	
CC(=O)Nc1cc(C)c(C)cc1/N=N/c1ccccc1	4610614	XZRKOLTXYCJIDY-VHEBQXMUSA-N	267.332	4.677	10	40	CJCB	
Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(C(C)(C)C)cc1	408766808	GXVKHTXRRZUYIB-ZHACJKMWSA-N	298.386	4.639	10	40	CJCB	
S=C(c1ccccc1)c1ccc(Cl)c(Cl)c1	196662199	WKMYRDJNFRRUKS-UHFFFAOYSA-N	267.180	4.760	10	40	CJCB	
Nc1ccc(Oc2ccc(Cl)c3ccccc23)cc1	14630149	ZKDDFKIOAIQYSX-UHFFFAOYSA-N	269.731	4.868	10	40	CJCB	
Nc1nc(-c2ccccc2)c(/N=N/c2ccccc2)s1	18258628	LVGMTUUJQJESMM-VHEBQXMUSA-N	280.356	4.808	10	40	CJCB	
Cc1ccc2nccc(/C=C/c3ccc(N(C)C)cc3)c2c1	13221207	QOPZBBZPGCFMHI-VMPITWQZSA-N	288.394	4.780	10	40	CJCB	
CC[C@@H](c1ccccc1)[C@@H](CC)c1ccc(O)c(O)c1	1608979	BQIYIEVGQPMURE-HOTGVXAUSA-N	270.372	4.785	10	40	CJCB	
COc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	6954836	HLBIICCISDPQQG-LXIYXOSZSA-N	295.357	4.661	10	40	CJCB	
CCC(=S)/C=C1\Sc2ccc(Cl)cc2N1CC	264543	BBLSSFFGZOKVSN-JYRVWZFOSA-N	283.849	4.893	10	40	CJCB	
Fc1cccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)c1	7098206	GNHUKOQXIWVUQT-HFTRVMKXSA-N	265.331	4.652	10	40	CJCB	
Cc1ccc(Cl)c2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21	58850883	WMFFBAOSSOOBTP-GLJUWKHASA-N	296.801	4.870	10	40	CJCB	
c1ccc2sc(-c3ccc(N4CCCC4)cc3)nc2c1	19640	XIBXHJZVEMYJKO-UHFFFAOYSA-N	280.396	4.564	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21	802445	SQDUIPZNGIDXNR-RVKKMQEKSA-N	296.801	4.870	10	40	CJCB	
CC[n+]1c(-c2ccccc2)csc1Nc1cccc(C)c1	1466288	QCXMZDHHQULYHZ-UHFFFAOYSA-O	295.431	4.775	10	40	CJCB	
Cc1cc(O)c(CN(C)[C@@H]2CCCc3ccccc32)cc1C	32899412	PNPHDFQKIFVKNH-LJQANCHMSA-N	295.426	4.518	10	40	CJCB	
Cc1ccc(N=NN(C)N=Nc2ccc(C)cc2)cc1	254851767	QYJYKVPNNJFJGE-UHFFFAOYSA-N	267.336	4.933	10	40	CJCB	
Cc1cccc(C)c1N[C@@H](C)c1cc(Cl)ccc1O	350156	NHTZGQFAVNDRPQ-LBPRGKRZSA-N	275.779	4.836	10	40	CJCB	
c1ccc(Cn2cccc2/N=N/c2ccccc2)cc1	17950335	PLAVIAPIAPCNJV-VHEBQXMUSA-N	261.328	4.952	10	40	CJCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	229885008	CNOGIHIYJOKAKD-RKVPGOIHSA-N	265.331	4.652	10	40	CJCB	
Cc1ccc(N[C@@H](C)c2cc(Cl)ccc2O)cc1C	350154	DPJCVCFHQDYLAA-LBPRGKRZSA-N	275.779	4.836	10	40	CJCB	
Cc1ccc(C)n1-c1ccc(Cl)c(Br)c1	94671063	OMJRPPQTGQESSZ-UHFFFAOYSA-N	284.584	4.510	10	40	CJCB	
Cc1ccc(/N=N/c2ccc(O)cc2)c(Br)c1	100717101	YIDMWLUFNVJJHD-FOCLMDBBSA-N	291.148	4.879	10	40	CJCB	
CCCN1c2cc(C)c(CNCC)cc2C(C)=CC1(C)C	223799697	ZVYDTABXFYAZSO-UHFFFAOYSA-N	286.463	4.516	10	40	CJCB	
Cc1cc(/N=N/c2ccccc2)c2cccnc2c1N	17777780	VBTBAMUHGMYKSN-FMQUCBEESA-N	262.316	4.541	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21	4004323	KHNWOFQSFYTZKW-HDMKZQKVSA-N	296.801	4.870	10	40	CJCB	
Cc1ccc(/N=N\N(C)/N=N/c2ccc(C)cc2)cc1	101062992	QYJYKVPNNJFJGE-JQNBNMKOSA-N	267.336	4.933	10	40	CJCB	
Oc1ccc(/N=N\c2cc(Cl)ccc2Cl)c(O)c1	104252001	GKASMNGSPFYERF-NXVVXOECSA-N	283.114	4.820	10	40	CJCB	
O=C(O)c1ccccc1/N=N/c1ccc(O)c2ccccc12	4954387	SXAUIPSOPPASFY-VHEBQXMUSA-N	292.294	4.659	10	40	CJCB	in-vivo
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	409166631	FNILAIFHIHKQEA-GPMSIDNRSA-N	279.358	4.961	10	40	CJCB	
Cc1cccc2nc(-c3ccco3)c(Nc3ccccc3)n12	100638359	IHASZXAAECHGAS-UHFFFAOYSA-N	289.338	4.646	10	40	CJCB	
Cc1ccc(C)c(C2=C/C(=C\c3sccc3C)C(=O)O2)c1	409053147	XWVBSENSWZBXRW-GXDHUFHOSA-N	296.391	4.655	10	40	CJCB	
Cc1ccc(Cl)c2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@H]21	4140562	IOTCVFOATHRDOF-DEYYWGMASA-N	296.801	4.870	10	40	CJCB	
Cc1cc(C=O)c(C)n1-c1ccc(C2CCCCC2)cc1	555569	JKQSSTSAHUVGAO-UHFFFAOYSA-N	281.399	4.954	10	40	CJCB	
Cc1cc(-c2csc(Nc3ccc(N)cc3)n2)ccc1F	28465473	WTTWFPXHAVSZHS-UHFFFAOYSA-N	299.374	4.583	10	40	CJCB	
Cc1ccc(Cl)c2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@@H]21	58850870	CEUCPHWLQYFMIN-FHSNZYRGSA-N	296.801	4.870	10	40	CJCB	
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	4797943	DTYQIOJPXOFYPX-HLIPFELVSA-N	289.378	4.716	10	40	CJCB	
CCCCOc1ccc(/N=N/c2ccc(N)cc2)cc1	4663572	MBGVLUXPVVQTNS-VHEBQXMUSA-N	269.348	4.863	10	40	CJCB	
CCCNCc1ccc2c(c1)[C@@H](C)CC(C)(C)N2CCC	223786654	LSRLTRPSOXNLCH-HNNXBMFYSA-N	288.479	4.688	10	40	CJCB	
CC(=O)Nc1ccc(/N=N\c2ccccc2C)cc1C	4214919	GFMVVEHDEIYWTL-HNENSFHCSA-N	267.332	4.677	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@@H](c1ccncc1)[C@@H]1CC=C[C@H]21	4450150	SQDUIPZNGIDXNR-DAYGRLMNSA-N	296.801	4.870	10	40	CJCB	
CCNCc1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C	223799786	GWWDKTFDFPYBFX-UHFFFAOYSA-N	286.463	4.515	10	40	CJCB	
Cc1cc(/C=C\c2ccnc3ccccc23)ccc1N(C)C	4707093	TUPQBSLRXTUYJD-NTMALXAHSA-N	288.394	4.780	10	40	CJCB	
CCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	18144605	ORGKFNDDDGAYTI-VHEBQXMUSA-N	267.332	4.841	10	40	CJCB	
CCOc1cccc(C2Nc3cccc4cccc(c34)N2)c1	70453937	ZPIDAXAOBYQWMX-UHFFFAOYSA-N	290.366	4.775	10	40	CJCB	
CN(C)c1ccc(/C=C\c2nc3ccccc3s2)cc1	17157602	MVMOMSLTZMMLJR-XFXZXTDPSA-N	280.396	4.533	10	40	CJCB	
CCN(CC)c1ccc(-c2nc3cc(C)ccc3o2)cc1	216878237	SADXGLCIIFCAKC-UHFFFAOYSA-N	280.371	4.649	10	40	CJCB	
Nc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCC[C@H]21	1102507	DPDVLHAMYZQEMF-VBQJREDUSA-N	298.817	4.973	10	40	CJCB	
COc1cccc(-n2c(C)ccc2-c2ccccc2C)c1	228979458	UUYVWRBLQOUJPG-UHFFFAOYSA-N	277.367	4.770	10	40	CJCB	
CCNCc1cc2c(cc1Cl)N(CC)C(C)(C)C[C@H]2C	260725485	WWLOBEBNNFGEFN-GFCCVEGCSA-N	294.870	4.562	10	40	CJCB	
Cc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	6968673	GDEMQZQCGTWUSM-WTANOLMUSA-N	279.358	4.961	10	40	CJCB	
Oc1ccc(/N=N\c2ccc3ccccc3c2)c(O)c1	104046344	NALCMEBFZBQISH-ZCXUNETKSA-N	264.284	4.666	10	40	CJCB	
CCNCc1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C	223785003	ZDWXRLKHTODTLM-HNNXBMFYSA-N	288.479	4.605	10	40	CJCB	
O=C1OC(c2ccccc2)=C/C1=C\c1cccc2ccccc12	4852824	PUSLKOZQPUBYTQ-QGOAFFKASA-N	298.341	4.821	10	40	CJCB	
Fc1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1	4140476	CUZKSHUSJWGIED-KYJSFNMBSA-N	265.331	4.652	10	40	CJCB	
C=COc1ccc(/N=N/c2ccc(N(C)C)cc2)cc1	5797776	TVPKXQAQLQMUKR-ISLYRVAYSA-N	267.332	4.690	10	40	CJCB	
Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(C)c1	20007836	GJAADCSNQIGUDP-UHFFFAOYSA-N	296.197	4.928	10	40	CJCB	
Cc1c2cc(Cl)c3ccccc3c2c[n+]2ccccc12	1609550	VFLKSKSYXDOQMS-UHFFFAOYSA-N	278.762	4.694	10	40	CJCB	
Cc1cc(/C=C2\C=Cc3ccccc32)ccc1N(C)C	1730581	APDWNFSVJPHAHU-GHRIWEEISA-N	261.368	4.628	10	40	CJCB	
CCCCNCc1cc(C)n(-c2ccc(C)cc2C)c1C	223666850	TVFSJWVXKWWFPB-UHFFFAOYSA-N	284.447	4.601	10	40	CJCB	
CN(C)c1ccc(/C=C\C=C2/C=Cc3ccccc32)cc1	4826306	VHPHZHGXMQEQLQ-CWXWLJRESA-N	273.379	4.876	10	40	CJCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	409151973	IKDXJGYHRGZHSX-LPMFXHHGSA-N	279.358	4.961	10	40	CJCB	
Cc1cnc2ccccc2c1/C=C/c1ccc(N(C)C)cc1	6491793	LHGXTFQIXLJHGW-JLHYYAGUSA-N	288.394	4.780	10	40	CJCB	
COc1ccc(C)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	409151479	BRKQTWUHUXTCRK-FRQCXROJSA-N	291.394	4.830	10	40	CJCB	
Cc1cccc2c(/C=C/c3ccc(N(C)C)cc3)ccnc12	1763188	GRWFIWHHGVXOKK-JXMROGBWSA-N	288.394	4.780	10	40	CJCB	
CNc1ccc(/N=N/c2cccc3ncccc23)cc1	17821229	LJGFJKWOMPUOBR-FMQUCBEESA-N	262.316	4.692	10	40	CJCB	
CC(C)NCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	260725562	YDZUVHASJMBBDB-GFCCVEGCSA-N	294.870	4.560	10	40	CJCB	
CCN(CC)c1ccc(/N=N/c2ccc(OC)cc2)cc1	39045228	OGQVMTNUMLTVES-VHEBQXMUSA-N	283.375	4.957	10	40	CJCB	
CC(C)(C)OC(=O)NCCCCCCCCCN=[N+]=[N-]	714013623	BBOSBJPEOGMFBY-UHFFFAOYSA-N	284.404	4.552	10	40	CJCB	
Cc1ccc(-c2ccccc2)n1-c1ccc(Cl)cc1O	360896	IYTWRPJITOMIEO-UHFFFAOYSA-N	283.758	4.812	10	40	CJCB	
C[N+](C)(C)c1ccc(/C=C\c2ccc3ccccc3n2)cc1	13404392	HVEOWOAYACQWGE-WQLSENKSSA-N	289.402	4.602	10	40	CJCB	
Cc1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1	20058193	SLEQAYVVZGJZFM-RKVPGOIHSA-N	279.358	4.961	10	40	CJCB	
COc1cc(N=Nc2ccccc2)c(O)c2ccccc12	255003835	BXLAAHNBFBOJPG-UHFFFAOYSA-N	278.311	4.969	10	40	CJCB	
Cc1ccc(-c2cccc(F)c2)n1-c1ccccc1	199744384	FCNHVLJODKTLQT-UHFFFAOYSA-N	251.304	4.592	10	40	CJCB	
Cc1ccc(C)n1-c1ccc(-n2c(C)ccc2C)cc1	295148	ZZSXMBLVTHZLFB-UHFFFAOYSA-N	264.372	4.502	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21	4450147	SQDUIPZNGIDXNR-RLFYNMQTSA-N	296.801	4.870	10	40	CJCB	
Cc1ccc(C)c(/N=N/c2c(O)c3ccccc3oc2=O)c1	6425912	DDIOSOQNRPFYAJ-VHEBQXMUSA-N	294.310	4.531	10	40	CJCB	
CN(C)/N=N\c1ccc(/C=C2\C=Cc3ccccc32)cc1	100374418	QXOOINPVJXOXFR-XWLVTCQQSA-N	275.355	4.814	10	40	CJCB	
Nc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCC[C@@H]21	217488908	DPDVLHAMYZQEMF-CPUCHLNUSA-N	298.817	4.973	10	40	CJCB	
Cc1ccccc1C(=S)SCc1ccccc1	71256980	KKNMJQKDOQWHRS-UHFFFAOYSA-N	258.411	4.604	10	40	CJCB	
CC[C@@H](c1ccc(F)cc1)[C@@H](CC)c1ccc(O)c(O)c1	2048448	DPJZLFPEDRCZNL-HOTGVXAUSA-N	288.362	4.924	10	40	CJCB	
Cc1ccc(C)n1-c1cc(C(F)(F)F)ccc1Cl	276651	PKHNVROGZAYKGL-UHFFFAOYSA-N	273.685	4.766	10	40	CJCB	
COc1ccccc1/N=N/c1ccc(Br)cc1	32224458	UDNAOKMKOHEGDC-FOCLMDBBSA-N	291.148	4.873	10	40	CJCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	36235160	CNOGIHIYJOKAKD-RVKKMQEKSA-N	265.331	4.652	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21	802448	KHNWOFQSFYTZKW-RVKKMQEKSA-N	296.801	4.870	10	40	CJCB	
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	14862436	AOJPAUSBFJWZBA-ZDVUNINMSA-N	279.343	4.697	10	40	CJCB	
Fc1ccc(C2Nc3cccc4cccc(c34)N2)cc1F	70453985	POGADOZZPKFZEO-UHFFFAOYSA-N	282.293	4.654	10	40	CJCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	14551267	GJGTTYNEULDQFE-GJYPPUQNSA-N	261.368	4.822	10	40	CJCB	
Cc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21	409335417	WTKTZRABUXKRHF-LJISPDSOSA-N	297.829	4.801	10	40	CJCB	
Cc1cc(O)c(/N=N\c2cc(C)c(C)cc2[N+](=O)[O-])cc1C	104194397	ILXKHBWROURBRT-ZCXUNETKSA-N	299.330	4.949	10	40	CJCB	
CCc1ccc(/N=N\c2c(F)c(F)c(N)c(F)c2F)cc1	100278233	IYQOYJXTJWMAJV-MRCUWXFGSA-N	297.255	4.803	10	40	CJCB	
Oc1ccccc1/N=N\c1c(O)ccc2ccccc12	104219630	QFHZPBSLCHTFBB-ZCXUNETKSA-N	264.284	4.666	10	40	CJCB	
COc1cccc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21	4007959	HLZHPANVGJGEPW-MPGHIAIKSA-N	277.367	4.522	10	40	CJCB	
CCN(CC)c1ccc(N=Nc2ccccc2)cc1	12359011	SJJISKLXUJVZOA-UHFFFAOYSA-N	253.349	4.948	10	40	CJCB	in-vitro
Cc1cc(C)c(NCc2cc(Cl)ccc2O)c(C)c1	37763522	CZCNBJUSZLJKQL-UHFFFAOYSA-N	275.779	4.583	10	40	CJCB	
Cc1ccc(C)n1-c1ccc(OCc2ccccc2)cc1	295153	JNBBPLWHZXZJHS-UHFFFAOYSA-N	277.367	4.673	10	40	CJCB	
[N-]=[N+]=NCCCCCCCCCCCCCCN	1772716768	VATVEIODCNQEDM-UHFFFAOYSA-N	254.422	4.937	10	40	CJCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@@H]21	1461869	IOTCVFOATHRDOF-QWQRMKEZSA-N	296.801	4.870	10	40	CJCB	
CC[C@H](c1ccc(F)cc1)[C@@H](CC)c1ccc(O)c(O)c1	1664649	DPJZLFPEDRCZNL-CVEARBPZSA-N	288.362	4.924	10	40	CJCB	
Fc1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@H]21	409153130	KUNGRNMZMXOACJ-XWCIJXRUSA-N	283.321	4.791	10	40	CJCB	
Nc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CCC[C@H]21	4535360	DPDVLHAMYZQEMF-ZQIUZPCESA-N	298.817	4.973	10	40	CJCB	
Cc1cc(C)cc(-n2c(C)cc3c2CC(C)(C)CC3=O)c1	16739555	CZFXJBNZTAJVBP-UHFFFAOYSA-N	281.399	4.558	10	40	CJCB	
Cc1ccc(-c2n[nH]c(N)c2/N=N/c2ccccc2C)cc1	96316539	VOCKHRGRLWCBLC-XUTLUUPISA-N	291.358	4.691	10	40	CJCB	
CCCCNCc1cc(C)n(-c2cccc(C)c2C)c1C	223666318	VQASSSMDCZOQNP-UHFFFAOYSA-N	284.447	4.601	10	40	CJCB	
C1=C[C@@H]2c3cccc4c3N(C[C@@H]2C1)c1ccccc1S4	314621	COHWOKHTBHDDGG-STQMWFEESA-N	277.392	4.963	10	40	CJCB	
CC(C)CCc1ccc(C=O)n1Cc1ccc(Cl)cc1	226025365	QMOBKOKSZACMGE-UHFFFAOYSA-N	289.806	4.591	10	40	CJCB	
CCCNCc1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	223673662	GXAYFJSWKXPRSN-UHFFFAOYSA-N	290.838	4.556	10	40	CJCB	
Nc1ccc(Oc2ccc(SCC(F)(F)F)cc2)cc1	16401970	CLIOJWVNUICMDC-UHFFFAOYSA-N	299.317	4.716	10	40	CJCB	
CCOc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1	58928472	SITFEYNJJVZMFJ-QRFRQXIXSA-N	291.394	4.912	10	40	CJCB	
CN(C)Cc1cc(/N=N\c2ccc(Cl)cc2)ccc1O	104312689	ARKLCDXQRNTCON-ZCXUNETKSA-N	289.766	4.523	10	40	CJCB	
CCCNCc1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C	223801436	BJFOGTRUKZAWDW-UHFFFAOYSA-N	286.463	4.597	10	40	CJCB	
CC[C@H](c1ccc(OC)cc1)N(CC)c1ccc(OC)cc1	1662284	WBYKYUZOGGOVTA-LJQANCHMSA-N	299.414	4.681	10	40	CJCB	
Fc1ccccc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@@H]21	409153118	KUNGRNMZMXOACJ-BWACUDIHSA-N	283.321	4.791	10	40	CJCB	
Fc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1	4003802	CUZKSHUSJWGIED-ZVZYQTTQSA-N	265.331	4.652	10	40	CJCB	
CCN(CC)c1ccc(CNc2ccc(Cl)cc2)cc1	360667	OKEBKDNDKRWCCC-UHFFFAOYSA-N	288.822	4.798	10	40	CJCB	
Brc1ccc(N/N=N/c2ccccc2)cc1	18105583	NXKAANUEZJOFLD-UHFFFAOYSA-N	276.137	4.560	10	40	CJCB	
CCCCNCc1cc(C)n(-c2ccc(C)c(C)c2)c1C	223668052	WMFCDBLWGJCLPC-UHFFFAOYSA-N	284.447	4.601	10	40	CJCB	
Cc1ccc(-c2ccccc2)n1-c1ccc(F)cc1	266612	VLIZDFOLEKTLAO-UHFFFAOYSA-N	251.304	4.592	10	40	CJCB	
CCN(CC)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1	96170990	OLWAHWGYWVJXHO-UHFFFAOYSA-N	299.805	4.730	10	40	CJCB	
CCCN1c2ccc(CNC(C)C)cc2[C@@H](C)CC1(C)C	223788697	DZNWKJGPDZUKQN-HNNXBMFYSA-N	288.479	4.687	10	40	CJCB	
Fc1cccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)c1	7098181	GNHUKOQXIWVUQT-ZVZYQTTQSA-N	265.331	4.652	10	40	CJCB	
Fc1ccccc1[C@H]1Nc2ccccc2[C@H]2C=CC[C@H]21	972026	SGLXEWDVTIRORE-DFHBCGBQSA-N	265.331	4.652	10	40	CJCB	
CCCCN1c2ccc(CNCC)cc2C(C)=CC1(C)C	223799453	VIWCEOVKBPQRFH-UHFFFAOYSA-N	286.463	4.598	10	40	CJCB	
CN(C)c1ccc(N=Nc2ccccc2Cl)cc1	254348218	AXTUMSFTJSYZOD-UHFFFAOYSA-N	259.740	4.821	10	40	CJCB	
Cc1ccc(Cl)c2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21	94515	IOTCVFOATHRDOF-GLJUWKHASA-N	296.801	4.870	10	40	CJCB	biogenic
CC[C@H](c1ccccc1)[C@@H](CC)c1ccc(O)c(O)c1	1608980	BQIYIEVGQPMURE-CVEARBPZSA-N	270.372	4.785	10	40	CJCB	
Fc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	19893258	TYQSVLSDEJEKSY-CKEIUWERSA-N	265.331	4.652	10	40	CJCB	
Cc1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1	4124405	SLEQAYVVZGJZFM-VKJFTORMSA-N	279.358	4.961	10	40	CJCB	
CCN(CC)c1ccc([C@H]2Nc3ccccc3S2)cc1	5322009	PZDAADHPGBTCCU-KRWDZBQOSA-N	284.428	4.749	10	40	CJCB	
COc1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	4007993	SCUKTZVQOULZEG-MPGHIAIKSA-N	295.357	4.661	10	40	CJCB	
COc1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	4007994	SCUKTZVQOULZEG-DAYGRLMNSA-N	295.357	4.661	10	40	CJCB	
Cc1nn(-c2ccccc2)c(C)c1/N=N/c1ccccc1	34327798	WWVLYLOTMNISOE-VHEBQXMUSA-N	276.343	4.905	10	40	CJCB	
CN(C)c1ccc(/C=C\c2c(F)cnc3ccccc23)cc1	17047270	FVVXDBXZASBCNW-XFXZXTDPSA-N	292.357	4.610	10	40	CJCB	
Fc1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1	4155598	CSVQSQUSQOIXQM-RLFYNMQTSA-N	283.321	4.791	10	40	CJCB	
CN(C)c1ccc(N=Nc2cccc(Cl)c2)cc1	254521657	ZWJXJMMRLCEJAL-UHFFFAOYSA-N	259.740	4.821	10	40	CJCB	
O=C(O)c1cccc(/N=N/c2c(O)ccc3ccccc23)c1	4506074	NFCGYAAQTUVYNX-VHEBQXMUSA-N	292.294	4.659	10	40	CJCB	
Oc1ccc(/N=N\c2ccccc2)c2c1CCCC2	40545833	XECMFZNUXGNOCH-ZCXUNETKSA-N	252.317	4.686	10	40	CJCB	
Clc1cccc2c1N[C@@H](c1ccccn1)[C@H]1CC=C[C@@H]21	58850714	CXPMDAPCCGFGPX-PLQHRBFRSA-N	282.774	4.562	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	226808117	ZAHIULLYQBFCEU-GPMSIDNRSA-N	277.367	4.522	10	40	CJCB	
Cc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1	19877239	BVGOPISIXFVMSK-UHFFFAOYSA-N	282.170	4.620	10	40	CJCB	
Cc1cnc2ccccc2c1/C=C\c1ccc(N(C)C)cc1	17162401	LHGXTFQIXLJHGW-RAXLEYEMSA-N	288.394	4.780	10	40	CJCB	
Cc1cccc(Cl)c1NCc1cc(Cl)ccc1O	44836120	BXBLXUPOUIYUKR-UHFFFAOYSA-N	282.170	4.620	10	40	CJCB	
S=C(SCc1ccccc1)c1ccc(Cl)cc1	71256985	NTEOVSMTYUCTKA-UHFFFAOYSA-N	278.829	4.949	10	40	CJCB	
N#Cc1ccc(/N=N/c2cc(O)cc3ccccc23)cc1	108372868	FFCWUIKNHSVAKT-FMQUCBEESA-N	273.295	4.832	10	40	CJCB	
Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	4975191	CNOGIHIYJOKAKD-HDMKZQKVSA-N	265.331	4.652	10	40	CJCB	
N[C@H](Cc1ccccc1)c1cc(C2CCCCC2)ccc1O	1669612	MZFZXVZXEKJLMW-LJQANCHMSA-N	295.426	4.682	10	40	CJCB	
CCC1=CC[C@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@@H]2C1	104219566	FROXBFFUEMSJAW-HZPDHXFCSA-N	290.362	4.581	10	40	CJCB	
Cc1cc2c(n1-c1ccc(C(C)C)cc1)C[C@H](C)CC2=O	6613287	GIVUPPANHSMATO-ZDUSSCGKSA-N	281.399	4.674	10	40	CJCB	
C1=Cc2ccccc2/C1=C\c1cc2c3c(c1)CCCN3CCC2	1709411	FFYXWTARKYNAGZ-AQTBWJFISA-N	299.417	4.953	10	40	CJCB	
Cc1ccc(-c2ccc(F)cc2)n1-c1ccc(N(C)C)cc1	228978382	ILJRGMUBKGJAQS-UHFFFAOYSA-N	294.373	4.658	10	40	CJCB	
Cc1cc(/N=N\c2ccccc2)nc(-c2ccccc2)n1	95276451	VCVQSOLUXAKWJE-MRCUWXFGSA-N	274.327	4.867	10	40	CJCB	
Cc1ccc(Cl)c2c1N[C@@H](c1ccncc1)[C@@H]1CC=C[C@H]21	4140564	IOTCVFOATHRDOF-IYOUNJFTSA-N	296.801	4.870	10	40	CJCB	
CCCNCc1ccc2c(c1)C(C)=CC(C)(C)N2CCC	223801348	ZQELNAZPAWOPAW-UHFFFAOYSA-N	286.463	4.598	10	40	CJCB	
CCN(CC)c1ccc(/C=C\c2nc3ccccc3[nH]2)cc1	4824575	IFYRZIXMGSHBHA-KAMYIIQDSA-N	291.398	4.580	10	40	CJCB	
COc1cccc(/N=N/c2ccc(O)c3ccccc23)c1	4543523	GAFUWTRYGAKHAI-VHEBQXMUSA-N	278.311	4.969	10	40	CJCB	
COc1ccc(-n2c(C)ccc2-c2ccc(F)cc2)cc1	1403474	WWAMWGXHALXYRA-UHFFFAOYSA-N	281.330	4.600	10	40	CJCB	
Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1C	21518353	DQUHAWXIIMJTMB-UHFFFAOYSA-N	296.197	4.928	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@@H](c1cccnc1)[C@@H]1CC=C[C@H]21	4004324	KHNWOFQSFYTZKW-DAYGRLMNSA-N	296.801	4.870	10	40	CJCB	
COc1ccc(Oc2ccc(-n3c(C)ccc3C)cc2)cc1	37792	HGLXQIJBEXPKBV-UHFFFAOYSA-N	293.366	4.895	10	40	CJCB	
Fc1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1	4181753	MDNOVRZDHWCOMZ-ZQIUZPCESA-N	283.321	4.791	10	40	CJCB	
CCCCN1c2cc(C)c(CNC)cc2[C@@H](C)CC1(C)C	223782862	UJYRDZYXQBBWRU-HNNXBMFYSA-N	288.479	4.607	10	40	CJCB	
Fc1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]21	4959860	SGLXEWDVTIRORE-WPKBUWHJSA-N	265.331	4.652	10	40	CJCB	
Oc1ccc(/N=N/c2ccc3ccccc3c2)c(O)c1	18044703	NALCMEBFZBQISH-ISLYRVAYSA-N	264.284	4.666	10	40	CJCB	
CC(C)CC1=C/C(=C/c2ccc(-c3ccccc3)o2)C(=O)O1	507753	TUOCIJUKVDYMLV-PTNGSMBKSA-N	294.350	4.817	10	40	CJCB	
CC(=O)Nc1ccc(/N=N/c2cccc(C)c2)cc1C	17920323	DHPLYJTWHQYVBW-VHEBQXMUSA-N	267.332	4.677	10	40	CJCB	
CCN(CC)c1ccc(/N=N\c2ccccc2C(=O)O)cc1	35052096	HBRCDTRQDHMTDA-HNENSFHCSA-N	297.358	4.646	10	40	CJCB	
CCN(CC)c1ccc(CNC2CCCCCCC2)cc1	6869668	LYXDMSUIQHILCN-UHFFFAOYSA-N	288.479	4.735	10	40	CJCB	
Cc1c(N)ccc(/N=N/c2cccc3ccccc23)c1N	73740100	PAECBFLBNSSKCP-QZQOTICOSA-N	276.343	4.728	10	40	CJCB	
Fc1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1	197865	CSVQSQUSQOIXQM-DAYGRLMNSA-N	283.321	4.791	10	40	CJCB	
CCN(CC)c1ccc(/N=N\c2ccccc2)cc1	100013056	SJJISKLXUJVZOA-ZCXUNETKSA-N	253.349	4.948	10	40	CJCB	
COc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	6954844	BDAXQWHUTCTILG-HDMKZQKVSA-N	295.357	4.661	10	40	CJCB	
CCCN1c2cc(C)c(CNCC)cc2[C@@H](C)CC1(C)C	223784920	TZAXFQKLTKSVLG-HNNXBMFYSA-N	288.479	4.607	10	40	CJCB	
Cc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	6968698	GDEMQZQCGTWUSM-MUKKUYKPSA-N	279.358	4.961	10	40	CJCB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	35120129	QRSLEOWUWJBCTM-UHFFFAOYSA-N	273.685	4.766	10	40	CJCB	
OCc1cc(/N=N/c2ccc(Cl)c(Cl)c2)ccc1O	70462743	RSLABEXYGFUJPC-WUKNDPDISA-N	297.141	4.607	10	40	CJCB	
[O-]/[N+](=N\c1cccc(Cl)c1)c1cccc(Cl)c1	4578648	SXCDGVDBGGCCLV-NXVVXOECSA-N	267.115	4.919	10	40	CJCB	
Clc1cccc2c1N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21	58850721	WMPQDDQHBNPADT-WWGRRREGSA-N	282.774	4.562	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	409156026	SQDGDZBBHHJROE-GPMSIDNRSA-N	295.357	4.661	10	40	CJCB	
C1=C[C@H]2c3cccc4c3N(C[C@@H]2C1)c1ccccc1S4	314620	COHWOKHTBHDDGG-QWHCGFSZSA-N	277.392	4.963	10	40	CJCB	
CCCN1c2cc(Cl)c(CNC)cc2[C@H](C)CC1(C)C	260716756	FIDFFKCOQOPIJR-GFCCVEGCSA-N	294.870	4.562	10	40	CJCB	
CCC1=CC[C@@H]2C(=O)c3cc4ccccc4cc3C(=O)[C@@H]2C1	1577900	FROXBFFUEMSJAW-JKSUJKDBSA-N	290.362	4.581	10	40	CJCB	
Fc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	101125388	CSVQSQUSQOIXQM-VKJFTORMSA-N	283.321	4.791	10	40	CJCB	
Cc1ccc(-c2ccc(C)n2-c2ccc(N(C)C)cc2)cc1	228922309	NYJSAJRTAVHDRC-UHFFFAOYSA-N	290.410	4.827	10	40	CJCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	6967025	IKDXJGYHRGZHSX-BIENJYKASA-N	279.358	4.961	10	40	CJCB	
Cc1ccccc1O[C@H](CCN=[N+]=[N-])c1ccccc1	22049662	SPJNLNFZPWFKNL-MRXNPFEDSA-N	267.332	4.816	10	40	CJCB	in-vitro
CC(C)c1ccc(NCc2cc(Cl)ccc2O)cc1	20000713	YYUVKOVPQDPULJ-UHFFFAOYSA-N	275.779	4.781	10	40	CJCB	
CCCCOC(=O)Nc1c2ccccc2nc2ccccc12	4830955	MPYIURLTQHJANA-UHFFFAOYSA-N	294.354	4.737	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@H]21	6963504	JXFJXWTVXRPKQF-DEYYWGMASA-N	296.801	4.870	10	40	CJCB	
CCCC(=O)Nc1ccc(/N=N\c2ccccc2)cc1	104164498	ORGKFNDDDGAYTI-HNENSFHCSA-N	267.332	4.841	10	40	CJCB	
CC(=O)Nc1ccc(N=Nc2ccccc2C)cc1C	254814555	GFMVVEHDEIYWTL-UHFFFAOYSA-N	267.332	4.677	10	40	CJCB	
CSc1ncc(-c2ccc(C)cc2)n1Cc1ccccc1	44085425	YDXXIBFAXWWQCH-UHFFFAOYSA-N	294.423	4.629	10	40	CJCB	
O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1ccccc1	408722329	HGPLIUJLOSGYEE-UNOMPAQXSA-N	298.341	4.821	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21	4004321	KHNWOFQSFYTZKW-RLFYNMQTSA-N	296.801	4.870	10	40	CJCB	
Cc1cccc(-c2ccc(C)n2-c2ccc(N(C)C)cc2)c1	228977078	MGCZIPPFHZGXOC-UHFFFAOYSA-N	290.410	4.827	10	40	CJCB	
c1ccc2c(c1)CSc1sccc1C2=C1CCNCC1	346418	OUCFZPJFLDVIFR-UHFFFAOYSA-N	299.464	4.539	10	40	CJCB	
Brc1ccc(/N=N/c2ccccc2)cc1	18100027	SVJSEJOASMWXGQ-CCEZHUSRSA-N	261.122	4.865	10	40	CJCB	
CCCc1ccc(/N=N\c2ccc(C(=O)O)cc2)cc1	104049654	XERHXXKNIWFLEX-ZCXUNETKSA-N	268.316	4.753	10	40	CJCB	
Cc1ccc(/N=N\N(C)/N=N\c2ccc(C)cc2)cc1	18022947	QYJYKVPNNJFJGE-YGGBKCGDSA-N	267.336	4.933	10	40	CJCB	
CN(C)c1ccc(/C=C/c2c(F)cnc3ccccc23)cc1	1763208	FVVXDBXZASBCNW-FMIVXFBMSA-N	292.357	4.610	10	40	CJCB	
Cc1ccc2nccc(/C=C\c3ccc(N(C)C)cc3)c2c1	17047260	QOPZBBZPGCFMHI-YVMONPNESA-N	288.394	4.780	10	40	CJCB	
Cc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	409151329	GDEMQZQCGTWUSM-OHNRDTAOSA-N	279.358	4.961	10	40	CJCB	
Oc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	5162775	YJRBRXLARFRAFB-UHFFFAOYSA-N	286.334	4.837	10	40	CJCB	
Oc1c(-c2ccc3ccccc3n2)sc2ccccc12	12618655	BFBSLZGNDAUTBG-UHFFFAOYSA-N	277.348	4.822	10	40	CJCB	
O/N=N/c1ccc(Sc2ccc3ccccc3c2)cn1	12951834	RRYOGIKBIGWMJI-UHFFFAOYSA-N	281.340	4.859	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2	6954222	SQDGDZBBHHJROE-MDZRGWNJSA-N	295.357	4.661	10	40	CJCB	
CCOC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	18087424	MEKVKTVRSAZYFR-ISLYRVAYSA-N	269.304	4.670	10	40	CJCB	
COc1ccc(/N=N/c2ccc(O)c3ccccc23)cc1	18099053	BMIUVFWTYIHLOJ-VHEBQXMUSA-N	278.311	4.969	10	40	CJCB	
CCC(C)(C)c1ccc(OCc2ccc(N)cc2)cc1	11804793	TWCVNUXEZPJVDK-UHFFFAOYSA-N	269.388	4.535	10	40	CJCB	
CC(C)c1cccc(NCc2cc(Cl)ccc2O)c1	19990060	IFFJPUNPLAYOBP-UHFFFAOYSA-N	275.779	4.781	10	40	CJCB	
Oc1ccc(-c2ccccc2)cc1/N=N/c1cccnc1	5338511	OVVLPMYGGBYMIZ-FMQUCBEESA-N	275.311	4.870	10	40	CJCB	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	14862438	AOJPAUSBFJWZBA-FYFJHLKLSA-N	279.343	4.697	10	40	CJCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	229885002	CNOGIHIYJOKAKD-IIDMSEBBSA-N	265.331	4.652	10	40	CJCB	
Cc1cc(N(C)C)ccc1/C=C/c1ccnc2ccccc12	13221066	JKZSLJICFCDKBY-CMDGGOBGSA-N	288.394	4.780	10	40	CJCB	
CCN(CC)c1ccc(N=Nc2ccc(N)cc2)cc1	299888356	GJHHSJRCUUFBLO-UHFFFAOYSA-N	268.364	4.530	10	40	CJCB	
CCOc1ccccc1C1Nc2cccc3cccc(c23)N1	5393506	ISLHUTHZMXLQQQ-UHFFFAOYSA-N	290.366	4.775	10	40	CJCB	
CN(C)Cc1cc(/N=N/c2ccccc2Cl)ccc1O	6005890	BCAAUQURENEARX-ISLYRVAYSA-N	289.766	4.523	10	40	CJCB	
CN(C)c1ccc(/[N+]([O-])=N/c2ccc3ccccc3c2)cc1	5549639	DITXVDWIAHFPKI-VZCXRCSSSA-N	291.354	4.832	10	40	CJCB	
CC(C)(C)c1ccc(O)c(/N=N/c2ccc(C(=O)O)cc2)c1	100929616	KMZUSLLYSWUQDP-VHEBQXMUSA-N	298.342	4.803	10	40	CJCB	
CCc1ccc(/N=[N+](\[O-])c2ccc(CC)cc2)cc1	4582660	CJBOLQFDHYYOIK-ZCXUNETKSA-N	254.333	4.737	10	40	CJCB	
Cc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)s1	409055163	WTUJYSVKCSMFPS-OQLLNIDSSA-N	296.391	4.655	10	40	CJCB	
Cc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	6968659	VJXLDHWZVKSOGW-HHXXYDBFSA-N	279.358	4.961	10	40	CJCB	
CCCCCCc1ccc(-c2nc(N)sc2C)cc1	2650101	WASYNUYLPZKAOJ-UHFFFAOYSA-N	274.433	4.824	10	40	CJCB	
CCCC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1	1632438	YCNIOTOLQCJJBS-UHFFFAOYSA-N	296.458	4.751	10	40	CJCB	
CCCNCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	223787322	DLEJQXREFZHMNN-LBPRGKRZSA-N	294.870	4.562	10	40	CJCB	
COc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@H]21	8169412	GXJOGAQANZOQCY-IQUTYRLHSA-N	295.357	4.661	10	40	CJCB	
Cc1ccc2nc(-c3ccco3)c(Nc3ccccc3)n2c1	3909783	VHCMODDJFNSNAG-UHFFFAOYSA-N	289.338	4.646	10	40	CJCB	
Cc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1	226666139	XZJONYAUBJHWQK-IEZWGBDMSA-N	261.368	4.822	10	40	CJCB	
Cc1ccc2c(c1)Sc1ccc(/N=N/N(C)C)cc1N2C	17124850	XBJFMQQGZHQXAZ-ISLYRVAYSA-N	298.415	4.788	10	40	CJCB	
Cc1c(Cl)cccc1NCc1cc(Cl)ccc1O	21503924	OCJDUJKKFONBBG-UHFFFAOYSA-N	282.170	4.620	10	40	CJCB	
Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	6968678	HJILUEGIGWTQQF-SZVBFZGTSA-N	279.358	4.961	10	40	CJCB	
O=[N+]([O-])c1ccc(/N=N/c2cccc3ccc(O)cc23)cc1	68601073	VCDKKBWEWUKJRG-ISLYRVAYSA-N	293.282	4.869	10	40	CJCB	
CC(=O)N(Cl)c1ccc(/N=N\c2ccccc2)cc1F	104051294	TZWIGDKAODCNLW-ZCXUNETKSA-N	291.713	4.748	10	40	CJCB	
COc1cccc(-n2c(C)ccc2-c2ccc(C)cc2)c1	228977635	RYLGWQJXVOZRMM-UHFFFAOYSA-N	277.367	4.770	10	40	CJCB	
Cc1ccc(/N=N/c2ccc3oc(=O)ccc3c2)cc1	4109573	YEESIYOIVCQHMN-ISLYRVAYSA-N	264.284	4.517	10	40	CJCB	
O=[N+]([O-])c1ccc(/N=N\c2ccc(O)c3ccccc23)cc1	3861484	MDLLSWJQIIAUQU-ZCXUNETKSA-N	293.282	4.869	10	40	CJCB	
COc1ccc(/N=N/c2c(O)ccc3ccccc23)cc1	100488884	XYVPTQBXFHRJJR-VHEBQXMUSA-N	278.311	4.969	10	40	CJCB	
Oc1ccc(/N=N\c2ccc(O)c(Cl)c2)cc1Cl	104251082	WTIAICHPBWPDQK-NXVVXOECSA-N	283.114	4.820	10	40	CJCB	
Cc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	409151334	GDEMQZQCGTWUSM-RFUYNDQBSA-N	279.358	4.961	10	40	CJCB	
Cc1c(Cl)cccc1/N=N/c1ccc(O)c(C=O)c1	70461975	XLWGDQYLEBVZKG-WUKNDPDISA-N	274.707	4.582	10	40	CJCB	
CC(C)c1ccc(C2=C/C(=C/c3cccs3)C(=O)O2)cc1	4852833	NRVYAHCOWRYYAO-GDNBJRDFSA-N	296.391	4.853	10	40	CJCB	
Fc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)cc1	13576374	CSVQSQUSQOIXQM-RKVPGOIHSA-N	283.321	4.791	10	40	CJCB	
COc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@H]21	20749043	GXJOGAQANZOQCY-PJIJBLCYSA-N	295.357	4.661	10	40	CJCB	
CCCNCc1cc2c(cc1C)N(CC)C(C)(C)C[C@@H]2C	223787046	HTJFXGJUZMDJEM-HNNXBMFYSA-N	288.479	4.607	10	40	CJCB	
O=[N+]([O-])c1ccc(/N=N\c2ccc3ccccc3c2O)cc1	104366667	HPHIPYYTKHFLPA-ZCXUNETKSA-N	293.282	4.869	10	40	CJCB	
CCN(CC)c1ccc(/N=N/c2cccc(OC)c2)cc1	96180969	CWEVQRUPTVVICI-VHEBQXMUSA-N	283.375	4.957	10	40	CJCB	
CCCCNCc1cc(C)n(-c2cccc(Cl)c2)c1C	223670982	UBPLNJRKKWXFTF-UHFFFAOYSA-N	290.838	4.637	10	40	CJCB	
Cc1cc(O)c(CN2CC[C@@H]2c2ccccc2)cc1C(C)C	58417076	NYFQEHGTFYZRKR-LJQANCHMSA-N	295.426	4.771	10	40	CJCB	
CCCC1=C/C(=C/c2ccc(-c3ccc(C)cc3)o2)C(=O)O1	3848463	DFPGXIYFPSUJSN-QINSGFPZSA-N	294.350	4.879	10	40	CJCB	
CCCCN1c2cc(C)c(CNC)cc2C(C)=CC1(C)C	223797777	YSKYUEHNYADEMG-UHFFFAOYSA-N	286.463	4.516	10	40	CJCB	
Fc1cccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)c1	409150102	ABSJFFVUIFNTGI-RKVPGOIHSA-N	283.321	4.791	10	40	CJCB	
Cc1cc(NCc2cc(Cl)ccc2O)ccc1Cl	40477085	OPBIQUAPDHBSFH-UHFFFAOYSA-N	282.170	4.620	10	40	CJCB	
Cc1ccc(-c2ccccc2)n1-c1cc(Cl)ccc1O	1598118	PZGHJYGQDQZLOI-UHFFFAOYSA-N	283.758	4.812	10	40	CJCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	5155517	CNOGIHIYJOKAKD-VKJFTORMSA-N	265.331	4.652	10	40	CJCB	
Cc1ccc(/N=N/c2ccc(O)c(C=O)c2)cc1Cl	13940379	GRHZDNWTHJDWFC-WUKNDPDISA-N	274.707	4.582	10	40	CJCB	
COc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	409167215	HLBIICCISDPQQG-VBHSOAQHSA-N	295.357	4.661	10	40	CJCB	
CCCN1c2ccc(CNC(C)C)cc2[C@H](C)CC1(C)C	260714701	DZNWKJGPDZUKQN-OAHLLOKOSA-N	288.479	4.687	10	40	CJCB	
Cc1ccc(N[C@H](C)c2cc(Cl)ccc2O)c(C)c1	350148	PKWAMUVVCDOLOE-GFCCVEGCSA-N	275.779	4.836	10	40	CJCB	
Cc1[nH]c2ccccc2c1/N=N/c1ccc(C(=O)O)cc1	4906320	ICYPJUGWHVJVHM-VHEBQXMUSA-N	279.299	4.590	10	40	CJCB	
Cc1ccc(-c2ccc(F)cc2)n1-c1ccccc1	90558220	PHHUDEYEGBXDTH-UHFFFAOYSA-N	251.304	4.592	10	40	CJCB	
S=C(/C=C/c1c[nH]c2ccccc12)c1ccsc1	95115986	SAHJKCCYCYYVNA-AATRIKPKSA-N	269.394	4.661	10	40	CJCB	
CCOc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	20757789	QXBNULWBUYSJCY-GPMSIDNRSA-N	291.394	4.912	10	40	CJCB	
Oc1cccc(O)c1/N=N/c1ccc(C(F)(F)F)cc1	110341804	AVCWSBIKZNPNCS-ISLYRVAYSA-N	282.221	4.532	10	40	CJCB	
Cc1ccc(/C=C2\C=C(c3cc(C)ccc3C)OC2=O)cc1	409051446	ABWUSZSDBSPCGL-GZTJUZNOSA-N	290.362	4.593	10	40	CJCB	
Cc1ccc(/N=N\c2ccc(O)c(C=O)c2)cc1Cl	101404256	GRHZDNWTHJDWFC-MSUUIHNZSA-N	274.707	4.582	10	40	CJCB	
Cc1ccc(C2=C/C(=C\c3sccc3C)C(=O)O2)cc1C	409060255	YUGDFRGRNJJZNF-XNTDXEJSSA-N	296.391	4.655	10	40	CJCB	
CN(C)c1ccc(-c2nc(-c3cccs3)cs2)cc1	8042108	GQLGYEZTPRYUEB-UHFFFAOYSA-N	286.425	4.605	10	40	CJCB	
Cc1ccc(NCc2cc(Cl)ccc2O)cc1Cl	21518302	SSELOPJFHVPIIN-UHFFFAOYSA-N	282.170	4.620	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	409171146	ZAUMNCCJXOSROD-LPMFXHHGSA-N	295.357	4.661	10	40	CJCB	
Cc1ccc2nc(/N=N/c3ccc(O)cc3)sc2c1	4832913	YUDXVPBWWMQYHK-WUKNDPDISA-N	269.329	4.726	10	40	CJCB	
Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	302462	CNOGIHIYJOKAKD-MPGHIAIKSA-N	265.331	4.652	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2	251489540	SBJIUGGGNRZEKF-UWVAXJGDSA-N	291.394	4.830	10	40	CJCB	
COc1ccc(C)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	409151482	BRKQTWUHUXTCRK-TXPKVOOTSA-N	291.394	4.830	10	40	CJCB	
C1=Cc2ccccc2/C1=C/c1cc2c3c(c1)CCCN3CCC2	16919344	FFYXWTARKYNAGZ-QGOAFFKASA-N	299.417	4.953	10	40	CJCB	
CCOc1ccc(/N=N/c2cc(CC)ccc2O)cc1	4615058	JUIKBWCRTFZVSV-ISLYRVAYSA-N	270.332	4.769	10	40	CJCB	
Cc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1C	20016490	GMVHBMBDVBGJKP-UHFFFAOYSA-N	296.197	4.928	10	40	CJCB	
Fc1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1	4181750	MDNOVRZDHWCOMZ-GRDNDAEWSA-N	283.321	4.791	10	40	CJCB	
Oc1ccccc1CNc1ccc(Oc2ccccc2)cc1	8436278	ZHPWLZZRAORBJQ-UHFFFAOYSA-N	291.350	4.797	10	40	CJCB	
Cc1ccc(-c2cccn2C)n1-c1ccc(C(C)C)cc1	228978939	TWFFNNKXUCSHQE-UHFFFAOYSA-N	278.399	4.915	10	40	CJCB	
O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1	100002606	WOTPFVNWMLFMFW-ISLYRVAYSA-N	293.282	4.869	10	40	CJCB	in-vitro
Cc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	409164353	HJILUEGIGWTQQF-KVSKMBFKSA-N	279.358	4.961	10	40	CJCB	
Cc1ccc(C2=C/C(=C\c3ccc(C)s3)C(=O)O2)c(C)c1	409055585	ZOLLPKHBOCJOJJ-NTEUORMPSA-N	296.391	4.655	10	40	CJCB	
Cc1c[nH]c(/N=N/c2ccc(OCc3ccccc3)cc2)n1	20085932	XCFQOHCFSSUJDU-QZQOTICOSA-N	292.342	4.713	10	40	CJCB	
Nc1ccc(Oc2ccc(Cc3ccccc3)cc2)cc1	14630146	GAMYREXEPNQPLR-UHFFFAOYSA-N	275.351	4.652	10	40	CJCB	
Oc1cccc(Nc2c3ccccc3nc3ccccc23)c1	3953550	MIJMJOMZVVWZPN-UHFFFAOYSA-N	286.334	4.837	10	40	CJCB	
O=Cc1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O	3900216	QCIXFPPANUHLRW-VHEBQXMUSA-N	294.232	4.639	10	40	CJCB	
Cc1cc(/C=C2/C=Cc3ccccc32)ccc1N(C)C	17354427	APDWNFSVJPHAHU-LGMDPLHJSA-N	261.368	4.628	10	40	CJCB	
CNc1ccc(/N=N/c2ccccc2)cc1SC	33505702	MYABYDOTBZTTJE-WUKNDPDISA-N	257.362	4.866	10	40	CJCB	
Oc1ccc(/N=N/c2ccc(O)c(Cl)c2)cc1Cl	4798485	WTIAICHPBWPDQK-FOCLMDBBSA-N	283.114	4.820	10	40	CJCB	
O=[N+]([O-])c1ccc(/N=N/c2cc(O)cc3ccccc23)cc1	110306373	VRFNDXFFFLOBMX-ISLYRVAYSA-N	293.282	4.869	10	40	CJCB	
CNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@@H]2C	223783183	CKJXFMUPLBGYPT-LBPRGKRZSA-N	294.870	4.560	10	40	CJCB	
CN(C)c1ccc(CNc2cc(Cl)cc(Cl)c2)cc1	19232450	RNSVZBZFAZJBRA-UHFFFAOYSA-N	295.213	4.672	10	40	CJCB	
Cc1cccc(C)c1NCc1c(O)ccc2ccccc12	5589836	WTHVTPMNJBBBBW-UHFFFAOYSA-N	277.367	4.774	10	40	CJCB	
COc1cccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)c1	8168423	FJXHWDQOMCPJPN-DAYGRLMNSA-N	295.357	4.661	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	226808106	ZAHIULLYQBFCEU-JTDSTZFVSA-N	277.367	4.522	10	40	CJCB	
Cc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21	409335415	WTKTZRABUXKRHF-KBUPBQIOSA-N	297.829	4.801	10	40	CJCB	
Fc1ccc([C@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]23)cc1	37719	MDNOVRZDHWCOMZ-JKIFEVAISA-N	283.321	4.791	10	40	CJCB	
Cc1cc(-c2ccc(-n3c(C)ccc3C)c(C)c2)ccc1N	408737605	DVISOQKGPUZXST-UHFFFAOYSA-N	290.410	4.960	10	40	CJCB	
Oc1ccc(Br)cc1/N=N/c1ccccc1	4837375	RQZVFUITFLWKPZ-CCEZHUSRSA-N	277.121	4.570	10	40	CJCB	
CCCNCc1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	260714640	DLEJQXREFZHMNN-GFCCVEGCSA-N	294.870	4.562	10	40	CJCB	
Cc1ccc(C2=C/C(=C\c3sccc3C)C(=O)O2)c(C)c1	409052451	SROSFCZABYXMGZ-GXDHUFHOSA-N	296.391	4.655	10	40	CJCB	
COc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	6954850	HLBIICCISDPQQG-JCGVRSQUSA-N	295.357	4.661	10	40	CJCB	
COc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]21	8169421	GXJOGAQANZOQCY-CKFHNAJUSA-N	295.357	4.661	10	40	CJCB	
CC(=O)Nc1ccc(/N=N\c2cccc(C)c2)cc1C	104254676	DHPLYJTWHQYVBW-HNENSFHCSA-N	267.332	4.677	10	40	CJCB	
Cc1cc(Br)c(O)c(/N=N/c2ccccc2)c1	100094570	PRZDCRXXDXYIOU-FOCLMDBBSA-N	291.148	4.879	10	40	CJCB	
CC[C@H](c1ccccc1)[C@H](CC)c1ccc(O)c(O)c1	1608982	BQIYIEVGQPMURE-HZPDHXFCSA-N	270.372	4.785	10	40	CJCB	
COc1ccc(-c2ccc(C)n2-c2ccccc2)cc1F	199744278	DEHORTXFVXLUBL-UHFFFAOYSA-N	281.330	4.600	10	40	CJCB	
Cc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1	408742422	OWWQBGRGTUFPAO-XNTDXEJSSA-N	296.753	4.630	10	40	CJCB	
Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	4975194	CNOGIHIYJOKAKD-RLFYNMQTSA-N	265.331	4.652	10	40	CJCB	
COc1ccccc1[C@@H]1Nc2ccc(F)cc2[C@@H]2C=CC[C@@H]21	226900521	GXJOGAQANZOQCY-BIENJYKASA-N	295.357	4.661	10	40	CJCB	
Cc1ccc(C)n1-c1ccc(Br)c(Cl)c1	4620742	CDVOAZMIAWFJMR-UHFFFAOYSA-N	284.584	4.510	10	40	CJCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@@H]21	13471277	IOTCVFOATHRDOF-HBUWYVDXSA-N	296.801	4.870	10	40	CJCB	
CC[n+]1c(-c2ccccc2)csc1Nc1ccccc1C	1466208	ZQWNIJLTGHPQIK-UHFFFAOYSA-O	295.431	4.775	10	40	CJCB	
CCCCCC[C@H](C)c1cc(C)c(O)c(CN(C)C)c1	1706351	QNNWHUIQCOBLLA-AWEZNQCLSA-N	277.452	4.836	10	40	CJCB	
Cc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	6968663	RAGKRNFGJCBIFW-HHXXYDBFSA-N	261.368	4.822	10	40	CJCB	
c1ccc2sc(-c3ccc(-n4cccc4)cc3)nc2c1	226280902	SNXNDUKGNYJDMO-UHFFFAOYSA-N	276.364	4.754	10	40	CJCB	
Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1O	21517957	ZCZWBKRRKORFHY-UHFFFAOYSA-N	282.170	4.620	10	40	CJCB	
O=c1ccc2cc(/N=N/c3ccc(Cl)cc3)ccc2o1	4109574	REPXVSJYRIFGRJ-ISLYRVAYSA-N	284.702	4.862	10	40	CJCB	
Cc1ccc(-c2ccccc2F)n1-c1ccccc1	222739597	CFMAIRHQYYCFGU-UHFFFAOYSA-N	251.304	4.592	10	40	CJCB	
Cc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	226669025	QFXDTOXIKHZLJM-GJYPPUQNSA-N	279.358	4.961	10	40	CJCB	
Fc1cccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)c1	409156231	NDFCXQNOBBFFIT-KEYYUXOJSA-N	283.321	4.791	10	40	CJCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(CNC(C)C)cc21	223821572	IBJNZKGHWPUVIV-UHFFFAOYSA-N	286.463	4.595	10	40	CJCB	
CCc1ccccc1NCc1cc(Cl)cc(Cl)c1O	19993225	OESPBBFTVYJHCQ-UHFFFAOYSA-N	296.197	4.874	10	40	CJCB	
Cc1ccc(C2=C/C(=C/c3cccc(Cl)c3)C(=O)O2)cc1	206283860	LQDPZVUMPVDKTF-DHDCSXOGSA-N	296.753	4.630	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccn1)[C@H]1CC=C[C@@H]21	409154174	JXFJXWTVXRPKQF-GLJUWKHASA-N	296.801	4.870	10	40	CJCB	
Fc1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1	13389446	MDNOVRZDHWCOMZ-CPUCHLNUSA-N	283.321	4.791	10	40	CJCB	
Cc1ccc(/N=N/c2ccc([N+](C)(C)C)cc2)cc1	96191706	DRGQRURHIPFTRQ-ISLYRVAYSA-N	254.357	4.607	10	40	CJCB	
CCCN1c2cc(C)c(CNCC)cc2[C@H](C)CC1(C)C	260725250	TZAXFQKLTKSVLG-OAHLLOKOSA-N	288.479	4.607	10	40	CJCB	
Fc1ccccc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@H]21	409153126	KUNGRNMZMXOACJ-PSTGCABASA-N	283.321	4.791	10	40	CJCB	
Cc1cc(/C=C/c2ccnc3ccccc23)ccc1N(C)C	16991352	TUPQBSLRXTUYJD-CSKARUKUSA-N	288.394	4.780	10	40	CJCB	
CCN(CC)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1	254381192	LVQIWDUSUJTZJF-UHFFFAOYSA-N	298.346	4.856	10	40	CJCB	
COc1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@@H]21	8169422	XEJLAZHQAVJFRC-ZJNRKIDTSA-N	295.357	4.661	10	40	CJCB	
Cc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	409157079	VJXLDHWZVKSOGW-VDZJLULYSA-N	279.358	4.961	10	40	CJCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	84670353	UECZQRXLMRLBLW-KEYYUXOJSA-N	283.321	4.791	10	40	CJCB	
Cc1[nH]c(=N)sc1/N=N/c1cccc(Cl)c1Cl	16953653	BYFCNCNFZVHKBK-FOCLMDBBSA-N	287.175	4.586	10	40	CJCB	
Cc1ccc(O)c(CNc2ccc3sccc3c2)c1	71407440	ZKTLDLQSADYKQX-UHFFFAOYSA-N	269.369	4.527	10	40	CJCB	
Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	409170186	UECZQRXLMRLBLW-CPUCHLNUSA-N	283.321	4.791	10	40	CJCB	
CCc1ccc(C2=C/C(=C/c3ccc(C)cc3)C(=O)O2)cc1	4852818	AXDRLWHSGDBCOX-PDGQHHTCSA-N	290.362	4.539	10	40	CJCB	
Cc1cc(/N=N/c2ccccc2)nc(-c2ccccc2)n1	13303683	VCVQSOLUXAKWJE-QZQOTICOSA-N	274.327	4.867	10	40	CJCB	
CCN(CC)c1ccc(-c2nc3cc(C)c(C)cc3o2)cc1	216878490	LCMOXCFPDDARDJ-UHFFFAOYSA-N	294.398	4.958	10	40	CJCB	
O=C(/N=N/c1ccccc1)Nc1ccc(Cl)cc1	18158716	CSFBDEJNRPISAL-WUKNDPDISA-N	259.696	4.656	10	40	CJCB	
c1ccc2nc(-c3ccc(-n4cccc4)cc3)ccc2c1	4051045	TWDHLUPVBDPVAI-UHFFFAOYSA-N	270.335	4.693	10	40	CJCB	
CCCNCc1cc(C)n(-c2cccc(Cl)c2C)c1C	223672039	XTAMKZHVJIHZGS-UHFFFAOYSA-N	290.838	4.556	10	40	CJCB	
CN(C)c1ccc(/C=C/C=C2\C=Cc3ccccc32)cc1	1662455	VHPHZHGXMQEQLQ-QLGUIBHBSA-N	273.379	4.876	10	40	CJCB	
CCOc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	6935742	QXBNULWBUYSJCY-FRQCXROJSA-N	291.394	4.912	10	40	CJCB	
CCOc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	20757785	QXBNULWBUYSJCY-JTDSTZFVSA-N	291.394	4.912	10	40	CJCB	
CC[n+]1c(-c2ccccc2)csc1Nc1ccc(C)cc1	26570006	BCBKXWKSEMTZCO-UHFFFAOYSA-O	295.431	4.775	10	40	CJCB	
N[C@@H](Cc1ccccc1)c1cc(C2CCCCC2)ccc1O	6580578	MZFZXVZXEKJLMW-IBGZPJMESA-N	295.426	4.682	10	40	CJCB	
Cc1ccc(-c2ccc(F)c(F)c2)n1-c1ccccc1	228929279	RDMQKOSYYADXEW-UHFFFAOYSA-N	269.294	4.731	10	40	CJCB	
Cc1ccc(-c2ccccc2)n1-c1ccccc1F	5589211	NXWHOAMQSOIEBO-UHFFFAOYSA-N	251.304	4.592	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	6954238	ZAUMNCCJXOSROD-PJIJBLCYSA-N	295.357	4.661	10	40	CJCB	
CCOc1cccc(-n2c(C)ccc2-c2ccccc2)c1	6870594	AZAVSMKQDYHCNY-UHFFFAOYSA-N	277.367	4.851	10	40	CJCB	
Cc1[nH]c2ccccc2c1/N=N/c1ccccc1[N+](=O)[O-]	18192593	XRCOWBDRDSVSKI-ISLYRVAYSA-N	280.287	4.800	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21	4623293	KHNWOFQSFYTZKW-IIDMSEBBSA-N	296.801	4.870	10	40	CJCB	
COc1ccccc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@H]21	20749285	XEJLAZHQAVJFRC-SNUQEOBHSA-N	295.357	4.661	10	40	CJCB	
CC(C)(C)OC(=O)NCCCCCCCCCCN=[N+]=[N-]	714013608	AJQWUNOZRJRQML-UHFFFAOYSA-N	298.431	4.942	10	40	CJCB	
CN(C)c1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1	7620946	SYBDESKSEHQUPP-BJMVGYQFSA-N	298.773	4.718	10	40	CJCB	
CCCC1=C/C(=C/c2ccc(-c3ccccc3)o2)C(=O)O1	63410	QGIZPIHHESTBOG-OWBHPGMISA-N	280.323	4.571	10	40	CJCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccncc1)[C@@H]1CC=C[C@H]21	4450149	SQDUIPZNGIDXNR-HDMKZQKVSA-N	296.801	4.870	10	40	CJCB	
Cc1cc2c3c(c1Cl)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21	33704567	WTKTZRABUXKRHF-APIJFGDWSA-N	297.829	4.801	10	40	CJCB	
Cc1cc(/N=N/c2ccccc2)cc(Br)c1O	95117831	QOEGXSUQCWSYBX-FOCLMDBBSA-N	291.148	4.879	10	40	CJCB	
CCOC(=O)Nc1ccc(/N=N\c2ccccc2)cc1	102381638	MEKVKTVRSAZYFR-ZCXUNETKSA-N	269.304	4.670	10	40	CJCB	
C1=C[C@H]2c3cccc4c3N(C[C@H]2C1)c1ccccc1S4	314617	COHWOKHTBHDDGG-CHWSQXEVSA-N	277.392	4.963	10	40	CJCB	
CCc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1	21010052	QBYZQLGMAQNKJC-UHFFFAOYSA-N	296.197	4.874	10	40	CJCB	
CCCc1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1	4896186	XERHXXKNIWFLEX-ISLYRVAYSA-N	268.316	4.753	10	40	CJCB	
O=[N+]([O-])c1cccc(/N=N/c2cc(O)cc3ccccc23)c1	110297444	SVJMJVBYJINQBU-ISLYRVAYSA-N	293.282	4.869	10	40	CJCB	
Cc1cc(Cl)ccc1/N=N/c1ccc(O)c(C=O)c1	70461978	KFIQVQJIZGQCSU-WUKNDPDISA-N	274.707	4.582	10	40	CJCB	
Cc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)cc1	409050996	GLICTWFRERMMMJ-WOJGMQOQSA-N	290.362	4.593	10	40	CJCB	
O=Cc1cc(/N=N\c2ccc(Cl)cc2Cl)ccc1O	59514565	QRPRJVOCBOLJNX-MSUUIHNZSA-N	295.125	4.927	10	40	CJCB	
Cc1ccc(/N=N/c2[nH]c3ccccc3c2O)cc1	100555890	YTVRQRQLAUYEKJ-ISLYRVAYSA-N	251.289	4.597	10	40	CJCB	
CCCCNCc1cc(C)n(-c2cc(C)ccc2C)c1C	223667439	NQNYJIJZMIRELL-UHFFFAOYSA-N	284.447	4.601	10	40	CJCB	
Cc1c(N)ccc(/N=N/c2ccc(C(C)C)cc2)c1N	73740082	MYINCIWPINKLKF-FMQUCBEESA-N	268.364	4.698	10	40	CJCB	
CCN(CC)c1ccc(-c2nc3cc(C)cc(C)c3[nH]2)cc1	216879818	NHBOBQNMLIOOBB-UHFFFAOYSA-N	293.414	4.693	10	40	CJCB	
CCCCN1c2ccc(CNCC)cc2[C@H](C)CC1(C)C	260716998	HSVCGAFAJSNKSN-OAHLLOKOSA-N	288.479	4.688	10	40	CJCB	
C1=C(N2CCC(Cc3ccccc3)CC2)Cc2ccccc21	55145587	KGKZCQKVXUWKDZ-UHFFFAOYSA-N	289.422	4.538	10	40	CJCB	
COc1cccc(-n2c(C)ccc2-c2cccc(C)c2)c1	228927047	RPNWEHXUUHHYDD-UHFFFAOYSA-N	277.367	4.770	10	40	CJCB	
CCN(CC)c1ccc([C@@H]2Nc3ccccc3S2)cc1	5321980	PZDAADHPGBTCCU-QGZVFWFLSA-N	284.428	4.749	10	40	CJCB	
COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2	6954198	SQDGDZBBHHJROE-GJYPPUQNSA-N	295.357	4.661	10	40	CJCB	
COc1cccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)c1	8168477	FJXHWDQOMCPJPN-MPGHIAIKSA-N	295.357	4.661	10	40	CJCB	
C[C@H]1C[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	14862439	AOJPAUSBFJWZBA-RVHRBBGMSA-N	279.343	4.697	10	40	CJCB	
Cc1ccc(-c2nc3ccccn3c2Nc2ccccc2)o1	3906234	AZESAEVPZQWQQN-UHFFFAOYSA-N	289.338	4.646	10	40	CJCB	
Cc1cc(O)c(CN(C)[C@H]2CCCc3ccccc32)cc1C	32899413	PNPHDFQKIFVKNH-IBGZPJMESA-N	295.426	4.518	10	40	CJCB	
Cc1ccc(-c2ccccc2)n1-c1ccccc1S	96308154	IKUCCKLDEGEMDH-UHFFFAOYSA-N	265.381	4.741	10	40	CJCB	
Cc1ccc([C@@H](N=[N+]=[N-])c2coc3ccccc3c2=O)cc1	4277068	XLDXSPCSYUUOTP-MRXNPFEDSA-N	291.310	4.501	10	40	CJCB	
Cc1ccc(-c2cnc(SCc3ccccc3)n2C)cc1	44085585	PVSQZIDETMDWRZ-UHFFFAOYSA-N	294.423	4.688	10	40	CJCB	
Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2O)c1	20005385	WCTVSCQVCNJKJT-UHFFFAOYSA-N	296.197	4.928	10	40	CJCB	
CCCCNCc1cc(C)n(-c2cc(C)cc(C)c2)c1C	223668670	OYXDHHNNYVOARS-UHFFFAOYSA-N	284.447	4.601	10	40	CJCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccncc1)[C@H]1CC=C[C@H]21	4140561	IOTCVFOATHRDOF-SUNYJGFJSA-N	296.801	4.870	10	40	CJCB	
Cc1ccc(Nc2c(-c3ccco3)nc3ccccn23)cc1	3906249	AIVDZQMHHTVYFK-UHFFFAOYSA-N	289.338	4.646	10	40	CJCB	
Nc1c(Cl)cc(/N=N\c2ccccc2)cc1Cl	100354170	CGFOMWCQKNHSOI-MSUUIHNZSA-N	266.131	4.991	10	40	CJCB	
COc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	409164004	BDAXQWHUTCTILG-RVKKMQEKSA-N	295.357	4.661	10	40	CJCB	
Cc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	6968688	RAGKRNFGJCBIFW-SZVBFZGTSA-N	261.368	4.822	10	40	CJCB	
O=C1OC(c2cccc3ccccc23)=C/C1=C/c1ccccc1	408723308	SZURNONUIHIJGV-LGMDPLHJSA-N	298.341	4.821	10	40	CJCB	
Cc1ccc(-c2ccccc2)n1-c1ccc(N(C)C)cc1	266619	JXSWZCBAJQVLIB-UHFFFAOYSA-N	276.383	4.519	10	40	CJCB	
[O-]/[N+](=N/c1cccc(Cl)c1)c1cccc(Cl)c1	100062085	SXCDGVDBGGCCLV-FOCLMDBBSA-N	267.115	4.919	10	40	CJCB	
Cc1ccc(-c2cccc(F)c2)n1-c1ccc(N(C)C)cc1	228978804	WRJFFLOITJOUEY-UHFFFAOYSA-N	294.373	4.658	10	40	CJCB	
COc1cccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)c1	8168466	YSPVQXGGEHZRFY-BXWFABGCSA-N	295.357	4.661	10	40	CJCB