smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
c1ccc(/N=N\c2ccccc2/N=N\c2ccccc2)cc1	95470209	HGRDUZITLBEBJY-WRBBJXAJSA-N	286.338	6.517	10	40	CKCB	
C1=C[C@@H]2c3c(ccc4ccccc34)N[C@@H](c3ccccc3)[C@H]2C1	4131753	QRNCQNCMEJDRCT-IPJJNNNSSA-N	297.401	5.666	10	40	CKCB	
CCc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	6944811	WDODSZFMLDWUMN-IMFGXOCKSA-N	293.385	5.215	10	40	CKCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	169617161	COHMVEZBHSOLFC-IIDMSEBBSA-N	299.776	5.306	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	409151781	CAPBQGWCFZQHBU-ABSDTBQOSA-N	293.385	5.269	10	40	CKCB	
COc1cccc(-n2c(C)ccc2-c2ccc(Cl)cc2)c1	199744939	LFPYQZYUVMWKCK-UHFFFAOYSA-N	297.785	5.115	10	40	CKCB	
Cc1c(Cl)cccc1-n1c(C)ccc1-c1ccccc1	8413464	IMLRRQGKNPJEJV-UHFFFAOYSA-N	281.786	5.415	10	40	CKCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	229836738	COHMVEZBHSOLFC-RKVPGOIHSA-N	299.776	5.306	10	40	CKCB	
Oc1c(/N=N/c2ccc(Cl)cc2)sc2ccccc12	18192995	JKOXPTMZHDDIQA-WUKNDPDISA-N	288.759	5.676	10	40	CKCB	
Oc1ccc2ccccc2c1/N=N/c1cccc2ccccc12	17303134	CYZWPZHRSZNWLS-QURGRASLSA-N	298.345	6.114	10	40	CKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	20757608	NSGTXULNJIRAFW-ZRGWGRIASA-N	295.813	5.475	10	40	CKCB	
CCN(CC)c1ccc(/N=N/c2cccc(F)c2)cc1	4774667	WBAPZYAUNDQWNB-VHEBQXMUSA-N	271.339	5.087	10	40	CKCB	
Cc1nc(/N=N\c2ccccc2)[nH]c1/N=N/c1ccccc1	100365662	JLRWIRBFDUKCMN-FHGBILNFSA-N	290.330	5.549	10	40	CKCB	
CCc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	409157903	WDODSZFMLDWUMN-ILZDJORESA-N	293.385	5.215	10	40	CKCB	
CCc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	409161885	BQTFOQWXNJWOBU-UWVAXJGDSA-N	293.385	5.215	10	40	CKCB	
CN(C)c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1	13477080	KSGXGIDRHWKRFO-FMQUCBEESA-N	291.354	5.027	10	40	CKCB	
Nc1ccc(-c2ccc(/N=N\c3ccccc3)cc2)cc1	100368646	AJSGOWHOHHVXAV-MRCUWXFGSA-N	273.339	5.351	10	40	CKCB	
CSc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1	58850561	PCQPHVUEIGXODF-IEZWGBDMSA-N	293.435	5.235	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	409169031	PBYKCQXSXMLSKZ-MBOZVWFJSA-N	293.385	5.215	10	40	CKCB	
Fc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)c1	409164204	DXUHKYNOBHAOSQ-MPGHIAIKSA-N	299.776	5.306	10	40	CKCB	
c1ccc2cc(/N=N\c3ccc4ccccc4c3)ccc2c1	104343766	GSCOATNEHHMXKY-DQRAZIAOSA-N	282.346	6.408	10	40	CKCB	
Fc1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@@H]21	409157772	RWKRLBCXEIHTQK-FHSNZYRGSA-N	299.776	5.306	10	40	CKCB	
Fc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)cc1	13615496	DQHRCIFCYYPLIS-CPUCHLNUSA-N	299.776	5.306	10	40	CKCB	
S=C1SC(c2ccccc2)=C/C1=C/Nc1ccccc1	103467302	ADTKZHDMVKAPGW-OWBHPGMISA-N	295.432	5.098	10	40	CKCB	
[N-]=[N+]=N[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1	4536843	IMPZPCFZILDTNL-LJQANCHMSA-N	285.350	5.753	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	409155221	COEJRUDAQJKXES-SXGZJXTBSA-N	293.385	5.269	10	40	CKCB	
Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	169313696	RZBJBIDHOBSXEP-IIDMSEBBSA-N	281.786	5.167	10	40	CKCB	
Cc1ccccc1N=Nc1c(N)ccc2ccccc12	256172346	BWLVSYUUKOQICP-UHFFFAOYSA-N	261.328	5.146	10	40	CKCB	
Clc1ccccc1/N=N/c1c[nH]c2ccccc12	18191553	VVNOMRFLVRKKIK-ISLYRVAYSA-N	255.708	5.237	10	40	CKCB	
Cc1cc(C)c2c(c1)N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	226908906	XUJVSJNZLOPNPT-UWVAXJGDSA-N	293.385	5.269	10	40	CKCB	
CCc1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1	8087439	BQTFOQWXNJWOBU-ZWOKBUDYSA-N	293.385	5.215	10	40	CKCB	
c1ccc(/N=N/c2ccc3c(c2)Cc2ccccc2-3)cc1	16930120	CCYXIDZPPFRJML-QZQOTICOSA-N	270.335	5.673	10	40	CKCB	
Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1	3159906	RRKPBKXJONFPGS-UHFFFAOYSA-N	288.561	5.021	10	40	CKCB	
Cc1cc(C)c2c(c1)N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	6962660	SXJJUACECWLPPI-SQGPQFPESA-N	293.385	5.269	10	40	CKCB	
C1=C[C@@H]2c3c(ccc4ccccc34)N[C@H](c3ccccc3)[C@H]2C1	4131751	QRNCQNCMEJDRCT-CNNODRBYSA-N	297.401	5.666	10	40	CKCB	
Cc1cccc(N=Nc2cc(C)nc(-c3ccccc3)n2)c1	245232575	XZIZWGBYMHABIB-UHFFFAOYSA-N	288.354	5.176	10	40	CKCB	
Fc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	103554407	OIYHGTMRFWZLSX-KEYYUXOJSA-N	299.776	5.306	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	20754212	NHZLDWKRYOQEFL-SQGPQFPESA-N	293.385	5.269	10	40	CKCB	
CC(C)[n+]1c(-c2ccccc2)csc1Nc1ccccc1	1466370	JBSMNIUXRLXEEH-UHFFFAOYSA-O	295.431	5.027	10	40	CKCB	
c1ccc(/N=N/c2ccc3c(ccc4ccccc43)c2)cc1	18057547	LDXXLWOZELZFLU-QURGRASLSA-N	282.346	6.408	10	40	CKCB	
CCCCc1ccc(/N=N/c2ccc(OC)cc2)cc1	3848679	QLNKXPFUPQGUDA-VHEBQXMUSA-N	268.360	5.453	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	6944916	LWTXSNDMVFPJHX-YVWKXTFCSA-N	275.395	5.076	10	40	CKCB	
Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	197859	HTPQDUAIFDURPW-IQUTYRLHSA-N	295.813	5.475	10	40	CKCB	
Cc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1	226666609	LGJLMDROSPXVOC-VKJFTORMSA-N	295.813	5.475	10	40	CKCB	
Fc1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1	4156833	DQHRCIFCYYPLIS-VBQJREDUSA-N	299.776	5.306	10	40	CKCB	
CCc1ccc(O)c(/N=N/c2c(C)cc(C)cc2C)c1	4551264	AYUWBZUUKDEQQU-VHEBQXMUSA-N	268.360	5.295	10	40	CKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	8336070	QURTYLWRADFHJY-TXPKVOOTSA-N	295.813	5.475	10	40	CKCB	
CN(C)c1ccc(/N=N/c2cc(Cl)cc(Cl)c2)cc1	18038431	GTRBBODTGWNQQF-ISLYRVAYSA-N	294.185	5.475	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	6967090	RTWWMLTXWOBRFY-AVYPCKFXSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc(/N=N\c2c(O)ccc3ccccc23)c(C)c1	12358830	JBTHDAVBDKKSRW-VXPUYCOJSA-N	276.339	5.578	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	409160601	UTLQYTRUXRYLAQ-SXGZJXTBSA-N	293.385	5.215	10	40	CKCB	
CCCCCC[C@@H](C)Nc1ccc(Nc2ccccc2)cc1	2522828	JQTYAZKTBXWQOM-QGZVFWFLSA-N	296.458	6.201	10	40	CKCB	
CCCCCCc1ccc(O)c(/N=N/c2cccnc2)c1	5261181	WBBDYFOWCSIWSE-FMQUCBEESA-N	283.375	5.325	10	40	CKCB	
S=C1SC(c2ccccc2)=C/C1=C\Nc1ccccc1	100813809	ADTKZHDMVKAPGW-WYMLVPIESA-N	295.432	5.098	10	40	CKCB	
Cc1ccc(-c2ccc(F)c(Cl)c2)n1-c1ccccc1	199743760	ZCHMQKXNNIHVGG-UHFFFAOYSA-N	285.749	5.245	10	40	CKCB	
CCc1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1	8087451	LFYKWLHKPIEKIG-BXWFABGCSA-N	293.385	5.215	10	40	CKCB	
S=C(C=C1Sc2ccccc2S1)c1ccccc1	384105	NVVRLGYQUYEVHS-UHFFFAOYSA-N	286.446	5.144	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	409159678	RTWWMLTXWOBRFY-SXGZJXTBSA-N	293.385	5.269	10	40	CKCB	
Clc1ccccc1/N=N/Nc1ccccc1Cl	17354821	YWFBICWAYSUKBW-UHFFFAOYSA-N	266.131	5.104	10	40	CKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	409159522	QURTYLWRADFHJY-GPMSIDNRSA-N	295.813	5.475	10	40	CKCB	
Oc1ccc(/N=N\c2cc(Cl)ccc2Cl)cc1	104251994	AKIOYUFHFCDHTO-NXVVXOECSA-N	267.115	5.114	10	40	CKCB	
c1ccc(/N=N\c2ccccc2NNc2ccccc2)cc1	13402463	QMBCLWMHMHVQJG-XDOYNYLZSA-N	288.354	5.541	10	40	CKCB	
Fc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	101125384	AHDBIRAJXUWVRI-VKJFTORMSA-N	299.776	5.306	10	40	CKCB	
c1ccc(-c2ccccc2/N=N/c2c[nH]c3ccccc23)cc1	18191564	ZRXAAOXNAWTDDZ-GHVJWSGMSA-N	297.361	6.250	10	40	CKCB	
CCn1c2ccccc2c2ccc(/N=N\c3ccccc3)cc21	104201789	CNYXWEWFSUWBCI-DQRAZIAOSA-N	299.377	6.230	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	409151791	CAPBQGWCFZQHBU-SQGPQFPESA-N	293.385	5.269	10	40	CKCB	
Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	4156815	COHMVEZBHSOLFC-DAYGRLMNSA-N	299.776	5.306	10	40	CKCB	
CCN(CC)c1ccc(/N=N\c2cccc(F)c2)cc1	104260778	WBAPZYAUNDQWNB-HNENSFHCSA-N	271.339	5.087	10	40	CKCB	
Cc1ccc(/N=N\c2ccc(N(C)C)cc2)c2cccnc12	104149183	CGOSBNDARVLJIZ-MRCUWXFGSA-N	290.370	5.025	10	40	CKCB	
CCN(CC)c1ccc(/N=N/c2ccc(C)cc2)cc1	18097154	PLMSBTMZGPIOAZ-VHEBQXMUSA-N	267.376	5.257	10	40	CKCB	
Clc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1	14464793	PKTHILWDBNXPFM-ZVZYQTTQSA-N	281.786	5.167	10	40	CKCB	
c1ccc2[nH]c(/N=N\c3cccc4ccccc34)cc2c1	104208621	ZZYLGLMHJRWQFL-MRCUWXFGSA-N	271.323	5.737	10	40	CKCB	
Cc1ccccc1/N=N/c1c(O)ccc2ccccc12	100028391	BQFCCCIRTOLPEF-VHEBQXMUSA-N	262.312	5.269	10	40	CKCB	in-vitro
CCCCc1ccc(NCc2cc(Cl)ccc2O)cc1	21809055	VUAZFINKPNNVML-UHFFFAOYSA-N	289.806	5.000	10	40	CKCB	
Fc1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@@H]21	409169537	QPAOQTHYMBRXEP-NVGCLXPQSA-N	299.776	5.306	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	409163403	QZXUDIHLOCFFAY-MBOZVWFJSA-N	293.385	5.215	10	40	CKCB	
Cc1ccc(-c2ccco2)n1-c1ccc(C(C)C)cc1	199760421	SPURLFHRNGFDAX-UHFFFAOYSA-N	265.356	5.169	10	40	CKCB	
Fc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)c1	409164205	DXUHKYNOBHAOSQ-RKVPGOIHSA-N	299.776	5.306	10	40	CKCB	
Cc1[nH]c(/N=N/c2ccccc2)nc1/N=N/c1ccccc1	18085106	JLRWIRBFDUKCMN-FLFKKZLDSA-N	290.330	5.549	10	40	CKCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	20757941	MQNNJDXLAUOKQZ-SPYBWZPUSA-N	295.813	5.475	10	40	CKCB	
Clc1cccc(/N=N\Nc2cccc(Cl)c2)c1	18178658	LJFGVHJIOVPLEQ-UHFFFAOYSA-N	266.131	5.104	10	40	CKCB	
CCCCCCc1ccc(O)c(/N=N/c2ccc(C)cc2)c1	5418496	QLFHOCMUIWPPTN-QZQOTICOSA-N	296.414	6.239	10	40	CKCB	
Cc1ccc(-c2nc(N)sc2/N=N/c2ccccc2)cc1	16756752	MNALDZPGNUHUNL-FMQUCBEESA-N	294.383	5.116	10	40	CKCB	
CN(C)c1ccc(/N=N\c2cccc(Cl)c2Cl)cc1	104149060	ZLKSFACZQYTCIF-ZCXUNETKSA-N	294.185	5.475	10	40	CKCB	
Cc1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	6968696	PUZIBDYIROBOQZ-MUKKUYKPSA-N	295.813	5.475	10	40	CKCB	
Cc1cccc(/N=N/c2cc(O)cc3ccccc23)c1	107364902	JZEOYFFGGAZFKX-VHEBQXMUSA-N	262.312	5.269	10	40	CKCB	
CC(C)(C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	18118018	UAERVFGYVTYUNF-FMQUCBEESA-N	281.359	5.087	10	40	CKCB	
Oc1ccc2ccccc2c1/N=N/c1ccc(F)cc1	17887209	IVVQQRFRRJBPRA-VHEBQXMUSA-N	266.275	5.100	10	40	CKCB	
Cc1ccc(-c2ccc(F)cc2)n1-c1ccc(C(C)C)cc1	199745211	PEFGXYOPIWHJIA-UHFFFAOYSA-N	293.385	5.715	10	40	CKCB	
CC(C)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	5384153	WUKKVSGAXJMUQQ-FMQUCBEESA-N	281.359	5.087	10	40	CKCB	
c1ccc2c(c1)ccn2-c1c2ccccc2nc2ccccc12	4893051	AUYIMVRGDSFNAD-UHFFFAOYSA-N	294.357	5.332	10	40	CKCB	
Cc1ccccc1/N=N\c1c(N)ccc2ccccc12	104179499	BWLVSYUUKOQICP-VXPUYCOJSA-N	261.328	5.146	10	40	CKCB	
Cc1ccc(-n2c(C)ccc2-c2ccccc2)c(C)c1	8410725	JOXCYLWOYWOFLD-UHFFFAOYSA-N	261.368	5.070	10	40	CKCB	
CCc1ccc(-c2ccc(C)n2-c2cccc(OC)c2)cc1	199745074	BEYRORVGAGWYGE-UHFFFAOYSA-N	291.394	5.024	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2	226903165	GHECMUFXGUDBEG-FUHIMQAGSA-N	293.385	5.269	10	40	CKCB	
CSc1ccccc1-n1c(C)ccc1-c1ccccc1	5589213	BIVHTXFYQDEACX-UHFFFAOYSA-N	279.408	5.175	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	409159619	RLLFAQSIIVGKAU-SIFCLUCFSA-N	293.385	5.269	10	40	CKCB	
Oc1ccc2ccccc2c1/N=N/c1ccccc1Cl	97024733	UYPPPLKYCVGNJV-VHEBQXMUSA-N	282.730	5.614	10	40	CKCB	
Nc1ccc(CCCCc2ccc(Cl)cc2Cl)cc1	1728039	VQRKSABHGWKAII-UHFFFAOYSA-N	294.225	5.141	10	40	CKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	20757613	NSGTXULNJIRAFW-SPYBWZPUSA-N	295.813	5.475	10	40	CKCB	
Clc1cccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)c1	14460176	VXXBDBLRCPPPPV-ZVZYQTTQSA-N	281.786	5.167	10	40	CKCB	
CCN(CC)c1ccc(/C=C2/C=Cc3ccccc32)cc1	17354425	YUBYXGSEQVSOSN-SDXDJHTJSA-N	275.395	5.100	10	40	CKCB	
CC(C)(C)c1ccc(/N=N/c2ccc(O)cc2)cc1	4829427	QNPDODTZFASIHE-ISLYRVAYSA-N	254.333	5.105	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	409159676	RTWWMLTXWOBRFY-SIFCLUCFSA-N	293.385	5.269	10	40	CKCB	
CCN(CC)c1ccc(/C=C2\C=Cc3ccccc32)cc1	1730577	YUBYXGSEQVSOSN-OBGWFSINSA-N	275.395	5.100	10	40	CKCB	
COc1cccc(/N=N/c2cc(Cl)cc(Cl)c2O)c1	4698659	HVTBOFFTQNQXDJ-WUKNDPDISA-N	297.141	5.123	10	40	CKCB	
Oc1ccc(Cl)cc1N=Nc1c(O)ccc2ccccc12	254853678	HQKOBNMULFASAN-UHFFFAOYSA-N	298.729	5.320	10	40	CKCB	
Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	4155580	RZBJBIDHOBSXEP-DAYGRLMNSA-N	281.786	5.167	10	40	CKCB	
Oc1ccc(/N=N/c2cc(Cl)ccc2Cl)cc1	18208236	AKIOYUFHFCDHTO-FOCLMDBBSA-N	267.115	5.114	10	40	CKCB	
Cc1ccc(/N=N/c2ccc(N(C)C)cc2)c2cccnc12	17001699	CGOSBNDARVLJIZ-QZQOTICOSA-N	290.370	5.025	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	6944852	HMNUNZMMDKRMMW-IIMJZQEZSA-N	293.385	5.215	10	40	CKCB	
Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)C2CC2)cc1	102259793	RCRKBUCKTLAHTO-QZQOTICOSA-N	293.370	5.067	10	40	CKCB	
Oc1cc2c(cc1/N=N/c1ccccc1)Cc1ccccc1-2	104389639	FUEKEVTXXAJVPQ-QZQOTICOSA-N	286.334	5.379	10	40	CKCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	969719	COHMVEZBHSOLFC-RVKKMQEKSA-N	299.776	5.306	10	40	CKCB	
Fc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1	4155576	AHDBIRAJXUWVRI-MPGHIAIKSA-N	299.776	5.306	10	40	CKCB	
Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)C2CC2)cc1	104171144	DSWDPYAVLIHLGK-MRCUWXFGSA-N	293.370	5.067	10	40	CKCB	
C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@H](N=[N+]=[N-])CC[C@]3(C)[C@H]1CC2	4025947	ZWFQFSKOLDXWJT-PHFHYRSDSA-N	299.462	5.874	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2	409169030	PBYKCQXSXMLSKZ-FUHIMQAGSA-N	293.385	5.215	10	40	CKCB	
c1ccc(/N=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1	4138679	LWCWIHGNMUNHLX-QURGRASLSA-N	299.377	5.622	10	40	CKCB	
CN(C)c1ccc(/N=N/c2cccc3ccccc23)cc1	18099377	RKGIHRYVFSZPKN-FMQUCBEESA-N	275.355	5.321	10	40	CKCB	
Cc1ccccc1-c1ccc(C)n1-c1ccc(C(C)C)cc1	228919411	QBLBMIAICXQIEX-UHFFFAOYSA-N	289.422	5.885	10	40	CKCB	
[N-]=[N+]=N[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1	8614823	IMPZPCFZILDTNL-IBGZPJMESA-N	285.350	5.753	10	40	CKCB	
Cc1ccc(C)n1-c1ccc(C2CCCCC2)cc1	6216156	XEUYDZQDZXKCRH-UHFFFAOYSA-N	253.389	5.142	10	40	CKCB	
Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	4155581	RZBJBIDHOBSXEP-RLFYNMQTSA-N	281.786	5.167	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	409175074	POSGFPKBZGVYGA-ILZDJORESA-N	293.385	5.215	10	40	CKCB	
Oc1ccc(N=Nc2cccc3ccccc23)c2ccccc12	299888542	NSWKKBKROCMOHA-UHFFFAOYSA-N	298.345	6.114	10	40	CKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	20758145	FWRPIAFDNHGBKT-QWFCFKBJSA-N	289.422	5.637	10	40	CKCB	
CC(C)(C)c1ccc(O)c(/N=N/c2ccccc2)c1	34773378	IFYDLKKPIFEVOU-ISLYRVAYSA-N	254.333	5.105	10	40	CKCB	
Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	4155578	RZBJBIDHOBSXEP-HDMKZQKVSA-N	281.786	5.167	10	40	CKCB	
c1ccc(/N=N\c2ccc(Nc3ccccc3)cc2)cc1	100027911	VXLFYNFOITWQPM-MRCUWXFGSA-N	273.339	5.846	10	40	CKCB	
CCc1ccc(/N=N\c2ccc(Br)cc2)cc1	100278528	IBDPZJBJJPCQDD-MSUUIHNZSA-N	289.176	5.427	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	409170789	WLLNLGXUQVPARG-MBOZVWFJSA-N	275.395	5.076	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	6962741	RLKYJFIGCXLORB-HLIPFELVSA-N	275.395	5.130	10	40	CKCB	
Cc1noc(-c2ccccc2)c1/N=N\c1ccccc1	104188678	LSTKIGHUFIJZML-ZCXUNETKSA-N	263.300	5.065	10	40	CKCB	
Cc1ccc(-c2ccccc2Cl)n1-c1ccccc1	222739692	BPROCOQFJWNIOX-UHFFFAOYSA-N	267.759	5.106	10	40	CKCB	
Fc1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)c1	409166956	GISDWGLEAUMBLJ-KEYYUXOJSA-N	299.776	5.306	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	6944788	POSGFPKBZGVYGA-IMFGXOCKSA-N	293.385	5.215	10	40	CKCB	
Cc1ccc(Nc2c3ccccc3nc3ccccc23)c(C)c1	3892250	IEVGATZJBLRGMA-UHFFFAOYSA-N	298.389	5.748	10	40	CKCB	
Cc1cc(C)c2c(c1)N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	409165126	SXJJUACECWLPPI-FUHIMQAGSA-N	293.385	5.269	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	409153214	LWTXSNDMVFPJHX-XKGZKEIXSA-N	275.395	5.076	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	6962731	GHECMUFXGUDBEG-HLIPFELVSA-N	293.385	5.269	10	40	CKCB	
Cc1ccccc1Nc1c2ccccc2nc2ccccc12	3953567	XHEJSUGYAUCWQH-UHFFFAOYSA-N	284.362	5.440	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	6967098	QBUVBHCWTNGRPC-SQGPQFPESA-N	275.395	5.130	10	40	CKCB	
Cc1ccc(C)c(-n2c(C)ccc2-c2ccccc2)c1	8411197	YFJYLECEJOQEFW-UHFFFAOYSA-N	261.368	5.070	10	40	CKCB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(C)C)cc1	8413276	GJUQWKYEHYUUMW-UHFFFAOYSA-N	275.395	5.576	10	40	CKCB	
Fc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1	101151633	DQHRCIFCYYPLIS-KEYYUXOJSA-N	299.776	5.306	10	40	CKCB	
CCc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12	2077945	FFMMBIZJYVBRKG-UHFFFAOYSA-N	297.401	5.860	10	40	CKCB	
c1ccc(N=Nc2ccccc2NNc2ccccc2)cc1	245240603	QMBCLWMHMHVQJG-UHFFFAOYSA-N	288.354	5.541	10	40	CKCB	
C1=C[C@H]2c3ccc4ccccc4c3N[C@@H](c3ccccc3)[C@H]2C1	408736235	MZTDFHFITJWFJI-DYXWJJEUSA-N	297.401	5.666	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	20757582	SWSQGMOBPLHQGY-SQGPQFPESA-N	275.395	5.130	10	40	CKCB	
Cc1cccc(C)c1Nc1c2ccccc2nc2ccccc12	5394573	FRHBUIKVKYWTEN-UHFFFAOYSA-N	298.389	5.748	10	40	CKCB	
c1ccc2cc(/N=N/c3cccc4ccccc34)ccc2c1	18128283	INTYTLPOFHZKQE-QURGRASLSA-N	282.346	6.408	10	40	CKCB	
Clc1cccc(/N=N/c2c[nH]c3ccccc23)c1	18191571	OXFYGWPWEPLIAG-ISLYRVAYSA-N	255.708	5.237	10	40	CKCB	
[N-]=[N+]=NCc1ccc2ccc3cccc4ccc1c2c34	263619001	WLKXPQFZTSRGHP-UHFFFAOYSA-N	257.296	5.394	10	40	CKCB	in-vitro
c1cnc2ccc(/N=N/c3c[nH]c4ccccc34)cc2c1	18191561	VFKNFMWSJNJDGT-QZQOTICOSA-N	272.311	5.132	10	40	CKCB	
CCn1c(/N=N/c2ccc(C)cc2C)nc2ccccc21	4815983	HHKJHFGCIGVQIZ-FMQUCBEESA-N	278.359	5.088	10	40	CKCB	
Clc1ccccc1[C@H]1Nc2ccccc2[C@H]2C=CC[C@H]21	20033480	VKLOEKYWXCWIBZ-DFHBCGBQSA-N	281.786	5.167	10	40	CKCB	
Clc1cccc(N=Nc2cccc(Cl)c2)c1	245241223	ZAUXEPYLONOZEK-UHFFFAOYSA-N	251.116	5.409	10	40	CKCB	
Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	4156818	COHMVEZBHSOLFC-MPGHIAIKSA-N	299.776	5.306	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	6943932	PBYKCQXSXMLSKZ-UWVAXJGDSA-N	293.385	5.215	10	40	CKCB	
C1=C[C@H]2c3ccc4ccccc4c3N[C@@H](c3cccnc3)[C@H]2C1	58851003	KUNXDIRCJCHTJT-HBFSDRIKSA-N	298.389	5.061	10	40	CKCB	
Cn1cccc1/N=N/c1ccccc1Oc1ccccc1	18192853	XIQBVBJIGAERJH-VHEBQXMUSA-N	277.327	5.233	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2	6962737	NRFOKLKPMHJQDA-HLIPFELVSA-N	293.385	5.269	10	40	CKCB	
Cc1cc(N(C)C)ccc1/N=N\c1ccc2ncccc2c1	102712243	PYUGLZIVWJGWCX-MRCUWXFGSA-N	290.370	5.025	10	40	CKCB	
Cc1ccc(C)n1-c1cccc2c(-c3ccccc3)ccnc12	2267896	NZUAEXCCAOMTIM-UHFFFAOYSA-N	298.389	5.309	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	6967085	QBUVBHCWTNGRPC-ABSDTBQOSA-N	275.395	5.130	10	40	CKCB	
Nc1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1	2012970	YDIXMXKRLYKJJM-UHFFFAOYSA-N	288.561	5.021	10	40	CKCB	
Cc1ccc(/N=N\c2c(N)ccc3ccccc23)cc1	104186079	BQGNKVPRHVXLFL-VXPUYCOJSA-N	261.328	5.146	10	40	CKCB	
Oc1ccc(Cl)cc1/N=N/c1c(O)ccc2ccccc12	100049462	HQKOBNMULFASAN-VHEBQXMUSA-N	298.729	5.320	10	40	CKCB	
Oc1cc(/N=N/c2cccc(F)c2)c2ccccc2c1	108129011	WBAZZABIKSLDAZ-VHEBQXMUSA-N	266.275	5.100	10	40	CKCB	
Cc1ccccc1Oc1ccc(-n2c(C)ccc2C)cc1	173097	LNQTVBZYWPMWEF-UHFFFAOYSA-N	277.367	5.195	10	40	CKCB	
COc1cccc(-n2c(C)ccc2-c2ccccc2Cl)c1	228930634	MTQWORHJNFQXQM-UHFFFAOYSA-N	297.785	5.115	10	40	CKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	6347745	FWRPIAFDNHGBKT-NLWGTHIKSA-N	289.422	5.637	10	40	CKCB	
CCCCc1ccc(/N=N/c2ccc(O)cc2Cl)cc1	3848690	CNWKDFLOHSHUOD-VHEBQXMUSA-N	288.778	5.804	10	40	CKCB	
Clc1cccc(/N=N/c2cccc(Cl)c2)c1	13410916	ZAUXEPYLONOZEK-FOCLMDBBSA-N	251.116	5.409	10	40	CKCB	
Cc1ccc(-c2ccc(C(C)C)cc2)n1-c1ccccc1	199745269	QIFMSDUVPSKURM-UHFFFAOYSA-N	275.395	5.576	10	40	CKCB	
C1=C[C@H]2c3ccc4ccccc4c3N[C@@H](c3ccccn3)[C@H]2C1	58850998	ORDNSCDXRSSVKF-LLGFUMIMSA-N	298.389	5.061	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	6962715	RLKYJFIGCXLORB-UWVAXJGDSA-N	275.395	5.130	10	40	CKCB	
C[N+](C)(C)c1ccc(/N=N/c2cccc3ccccc23)cc1	96191710	HXAJIEHQDHKMGS-QZQOTICOSA-N	290.390	5.452	10	40	CKCB	
Cc1c(C)c(/N=N/c2ccccc2)c(C)c(C)c1O	4829256	GFBMQRZQDSJVCU-ISLYRVAYSA-N	254.333	5.041	10	40	CKCB	
Cc1ccc(-c2ccco2)n1-c1cccc(C(F)(F)F)c1	1393039	NOWPWVJBEDPQJF-UHFFFAOYSA-N	291.272	5.065	10	40	CKCB	
Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	101084316	RZBJBIDHOBSXEP-RKVPGOIHSA-N	281.786	5.167	10	40	CKCB	
C[N+](C)(C)c1ccc(/N=N/c2ccc3ccccc3c2)cc1	96191713	RCYQYPLEKYOESU-QZQOTICOSA-N	290.390	5.452	10	40	CKCB	
CN(C)c1ccc(/N=N\c2ccc(Cl)c(Cl)c2)cc1	104149057	UFIRCJCHYJYING-ZCXUNETKSA-N	294.185	5.475	10	40	CKCB	
CCCCN(CCCC)/N=N\N(CCCC)CCCC	104219526	ILPYEQCVYIUDHI-ZCXUNETKSA-N	284.492	5.073	10	40	CKCB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(C)(C)C)cc1	1410370	PNZNQNANYMBCPC-UHFFFAOYSA-N	289.422	5.750	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	409163402	QZXUDIHLOCFFAY-FUHIMQAGSA-N	293.385	5.215	10	40	CKCB	
Clc1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21	4003761	VKLOEKYWXCWIBZ-XAYKYTGQSA-N	281.786	5.167	10	40	CKCB	
C1=C[C@H]2c3ccccc3N[C@@H](c3cccc4ccccc34)[C@H]2C1	408736881	BLZLXIINCSYVNV-XJABCFGWSA-N	297.401	5.666	10	40	CKCB	
Cc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21	409158316	XEOKFLFVCUVUPC-KVSKMBFKSA-N	295.813	5.475	10	40	CKCB	
Cc1cccc(Nc2ccc(N=Nc3ccccc3)cc2)c1	256081143	ZVGJKUHDXJNCHH-UHFFFAOYSA-N	287.366	6.154	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	6962725	RLLFAQSIIVGKAU-QEEYODRMSA-N	293.385	5.269	10	40	CKCB	
Cc1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12	980086	CANSZCSJTKSWNL-UHFFFAOYSA-N	283.374	5.606	10	40	CKCB	
Fc1cccc(Cl)c1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21	58850551	BNVCIESZPIDWEG-RRUGBERISA-N	299.776	5.306	10	40	CKCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	101151597	COHMVEZBHSOLFC-VKJFTORMSA-N	299.776	5.306	10	40	CKCB	
CCCOc1ccc(-c2ccc(C)n2-c2ccccc2)cc1	199761124	BNIACRVWDWTHPP-UHFFFAOYSA-N	291.394	5.242	10	40	CKCB	
Fc1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@H]21	409157785	RWKRLBCXEIHTQK-VEVIJQCQSA-N	299.776	5.306	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	6962750	RLLFAQSIIVGKAU-STXHMFSFSA-N	293.385	5.269	10	40	CKCB	
C1=C[C@@H]2c3c(ccc4ccccc34)N[C@H](c3ccccc3)[C@@H]2C1	4131745	QRNCQNCMEJDRCT-NNMXDRDESA-N	297.401	5.666	10	40	CKCB	
Oc1ccc2ccccc2c1/N=N\c1ccc(F)cc1	100365758	IVVQQRFRRJBPRA-HNENSFHCSA-N	266.275	5.100	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	409174567	NRFOKLKPMHJQDA-FUHIMQAGSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc(Cl)cc1-n1c(C)ccc1-c1ccccc1	5740492	BQXFGTPSCFCFBH-UHFFFAOYSA-N	281.786	5.415	10	40	CKCB	
CC(C)c1ccc(O)c(/N=N/c2ccccc2Cl)c1	4657159	VRPYWGNNYNZSDL-ISLYRVAYSA-N	274.751	5.584	10	40	CKCB	
C=COc1ccc(/N=N/c2ccc(N(CC)CC)cc2)cc1	5585425	MHRPJACCGUZWBA-FMQUCBEESA-N	295.386	5.471	10	40	CKCB	
Cc1ccc(-c2ccccc2)n1-c1ccc2ccccc2c1	8413405	IUVWIAJLALJOAT-UHFFFAOYSA-N	283.374	5.606	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	6944824	LWTXSNDMVFPJHX-IMFGXOCKSA-N	275.395	5.076	10	40	CKCB	
CN(C)c1ccc(/N=N\c2ccc(C(C)(C)C)cc2)cc1	104149039	JWLFMUICIGZZCE-VXPUYCOJSA-N	281.403	5.466	10	40	CKCB	
Cc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc1	4699046	LMXVSNDDHUICEX-DAYGRLMNSA-N	297.348	5.100	10	40	CKCB	
CCN(/N=N\c1ccc(C)cc1)/N=N\c1ccc(C)cc1	104141004	VQAVMXFAKOWZPK-CLFAGFIQSA-N	281.363	5.323	10	40	CKCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	43964996	QVDQZGUDCMASFY-VFVRVIDISA-N	299.776	5.306	10	40	CKCB	
CC(C)(C)/C=C\N=N\Nc1cc2ccccc2s1	17141716	LQDALNXHYVVZJL-HJWRWDBZSA-N	259.378	5.240	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	6944947	HMNUNZMMDKRMMW-KKVAFCGZSA-N	293.385	5.215	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	20757568	SWSQGMOBPLHQGY-FUHIMQAGSA-N	275.395	5.130	10	40	CKCB	
CN(C)c1ccc(/N=N\c2cccc3ccccc23)cc1	104040464	RKGIHRYVFSZPKN-VXPUYCOJSA-N	275.355	5.321	10	40	CKCB	
Cc1cccc(-c2ccc(C)n2-c2ccc(C(C)C)cc2)c1	228929187	UBOOSCCCXRNRHK-UHFFFAOYSA-N	289.422	5.885	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	6967083	JRCDQNOMXFJEEN-ABSDTBQOSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	409154058	JRCDQNOMXFJEEN-MBOZVWFJSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	6967080	MLDPKAWULSAJQA-ABSDTBQOSA-N	293.385	5.269	10	40	CKCB	
Cc1cc(C)c2c(c1)N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	409165127	SXJJUACECWLPPI-MBOZVWFJSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1	226683471	WKSCKFFSVXXGCK-UWVAXJGDSA-N	275.395	5.130	10	40	CKCB	
CC12CCC(/N=N\C34CCC(C)(CC3)CC4)(CC1)CC2	100350266	SYSCQOUFKYMDKT-VXPUYCOJSA-N	274.452	5.664	10	40	CKCB	
Fc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1	197864	AHDBIRAJXUWVRI-DAYGRLMNSA-N	299.776	5.306	10	40	CKCB	
FC(F)(F)C(=S)c1c2ccccc2cc2ccccc12	228954813	ZSXYLVILJDDQLC-UHFFFAOYSA-N	290.309	5.273	10	40	CKCB	
c1ccc(/N=N/c2ccc(CNc3ccccc3)cc2)cc1	4867684	XKFJXGSWNJARQS-QURGRASLSA-N	287.366	5.714	10	40	CKCB	
COc1cccc(/N=N/c2sc3ccccc3c2O)c1	4565506	FVVDHACVJPWFJB-WUKNDPDISA-N	284.340	5.031	10	40	CKCB	
Cc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21	6968682	XEOKFLFVCUVUPC-SZVBFZGTSA-N	295.813	5.475	10	40	CKCB	
c1ccc(/N=N\c2nc3ccccn3c2-c2ccccc2)cc1	97323829	FBBSQXXJYVAGIM-DQRAZIAOSA-N	298.349	5.417	10	40	CKCB	
CCc1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1	8087391	BQTFOQWXNJWOBU-QKLQHJQFSA-N	293.385	5.215	10	40	CKCB	
c1ccc2c(/N=N\c3cccc4ccccc34)cccc2c1	15657760	ICIDZHMCYAIUIJ-DQRAZIAOSA-N	282.346	6.408	10	40	CKCB	
Fc1ccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1	4156829	DQHRCIFCYYPLIS-GRDNDAEWSA-N	299.776	5.306	10	40	CKCB	
Fc1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1	4156830	DQHRCIFCYYPLIS-ZQIUZPCESA-N	299.776	5.306	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	6943962	WLLNLGXUQVPARG-UWVAXJGDSA-N	275.395	5.076	10	40	CKCB	
C1C2CC3CC1CC(/N=N\C14CC5CC(CC(C5)C1)C4)(C2)C3	100350260	WVQRDPQFWSLLII-DQRAZIAOSA-N	298.474	5.376	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	409151619	HMNUNZMMDKRMMW-UVFQYZLESA-N	293.385	5.215	10	40	CKCB	
Fc1ccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1	969736	DQHRCIFCYYPLIS-JJRVBVJISA-N	299.776	5.306	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	409175075	POSGFPKBZGVYGA-XKGZKEIXSA-N	293.385	5.215	10	40	CKCB	
Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	4321220	HTPQDUAIFDURPW-CKFHNAJUSA-N	295.813	5.475	10	40	CKCB	
Cc1cccc(/N=N/c2cc(C)nc(-c3ccccc3)n2)c1	13303679	XZIZWGBYMHABIB-QURGRASLSA-N	288.354	5.176	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	6944019	PBYKCQXSXMLSKZ-HLIPFELVSA-N	293.385	5.215	10	40	CKCB	
ClC(Cl)=C/N=N/c1ccc(Cl)cc1Cl	4827950	PODGOMIYICKHFP-BUHFOSPRSA-N	269.946	5.354	10	40	CKCB	
Oc1cc(/N=N/c2ccccc2F)c2ccccc2c1	110297460	JKMAMLDLYMMYCR-VHEBQXMUSA-N	266.275	5.100	10	40	CKCB	
CC(C)c1ccc(/N=N/c2ccc(C(C)C)cc2)cc1	18085907	BCCJRCKGVMFWDL-FMQUCBEESA-N	266.388	6.349	10	40	CKCB	
Cc1ncc(/N=N\c2ccc(Cl)cc2)c(-c2ccco2)n1	5423613	LZZVDDKXYLHNGW-VXPUYCOJSA-N	298.733	5.114	10	40	CKCB	
CC(C)(C)/C=C/N/N=N/c1cc2ccccc2s1	18125186	LQDALNXHYVVZJL-CMDGGOBGSA-N	259.378	5.049	10	40	CKCB	
c1ccc([C@@H]2Nc3ccccc3N[C@H]2c2ccccc2)cc1	1728910	XQHUFNLOARWBAX-PMACEKPBSA-N	286.378	5.007	10	40	CKCB	
Cc1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	408737104	IYOHWNMYJFTTTL-IEZWGBDMSA-N	295.813	5.475	10	40	CKCB	
c1ccc2[nH]c(/N=N/c3cccc4ccccc34)cc2c1	18055200	ZZYLGLMHJRWQFL-QZQOTICOSA-N	271.323	5.737	10	40	CKCB	
Cc1ccc(/N=N/c2cc(O)cc3ccccc23)cc1	107143488	XVDIPWAFQBCYOG-VHEBQXMUSA-N	262.312	5.269	10	40	CKCB	
Cc1ccc(Oc2ccc(-n3c(C)ccc3C)cc2)cc1	173088	BNDNHRAZFZKAAM-UHFFFAOYSA-N	277.367	5.195	10	40	CKCB	
CCn1c(/N=N/c2cc(C)ccc2C)nc2ccccc21	4816003	RXVDSCWGUIIUSW-FMQUCBEESA-N	278.359	5.088	10	40	CKCB	
Fc1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	14466159	XTBIBSPEHQXEQQ-PRXAMGSTSA-N	299.776	5.306	10	40	CKCB	
Cc1ccc(/N=N/c2ccc(/C=C/c3ccccc3)cc2)cc1	5257109	OLYOVURPQJLKTQ-OVEXIPILSA-N	298.389	6.581	10	40	CKCB	
CCc1cccc2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	409157906	WDODSZFMLDWUMN-XKGZKEIXSA-N	293.385	5.215	10	40	CKCB	
Cc1ccc(-c2ccccc2)n1-c1ccccc1Cl	8413498	VRUQYPOKKOFQGT-UHFFFAOYSA-N	267.759	5.106	10	40	CKCB	
Fc1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)c1	409166954	GISDWGLEAUMBLJ-CPUCHLNUSA-N	299.776	5.306	10	40	CKCB	
Fc1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	20700400	XTBIBSPEHQXEQQ-PEBVRCNWSA-N	299.776	5.306	10	40	CKCB	
CC(C)c1ccc(/N=N\c2ccc(N(C)C)cc2)cc1	104149046	GIYUBPYYTBWGPK-HNENSFHCSA-N	267.376	5.291	10	40	CKCB	
c1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1	17918419	QLYZYCHWGGSYBD-FLFKKZLDSA-N	286.338	6.517	10	40	CKCB	
CCCCN(CCCC)/N=N/N(CCCC)CCCC	5783509	ILPYEQCVYIUDHI-ISLYRVAYSA-N	284.492	5.073	10	40	CKCB	
Cc1cccc(Oc2ccc(-n3c(C)ccc3C)cc2)c1	173092	MGPAKFGBAWSFIQ-UHFFFAOYSA-N	277.367	5.195	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	20754203	NHZLDWKRYOQEFL-FUHIMQAGSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc(Oc2ccc(-n3c(C)ccc3C)cc2)cc1C	7468533	JYFIGVATZYBVFL-UHFFFAOYSA-N	291.394	5.503	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	409151614	HMNUNZMMDKRMMW-NBQZKYEYSA-N	293.385	5.215	10	40	CKCB	
Nc1ccc(-c2ccc(N=Nc3ccccc3)cc2)cc1	245238736	AJSGOWHOHHVXAV-UHFFFAOYSA-N	273.339	5.351	10	40	CKCB	
Clc1ccc(/N=N\c2ccc(Br)cc2)cc1	100340169	FICSPQVTDKNMFD-NXVVXOECSA-N	295.567	5.518	10	40	CKCB	
Cc1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	409169110	PUZIBDYIROBOQZ-RFUYNDQBSA-N	295.813	5.475	10	40	CKCB	
Cn1cccc1/N=N/c1ccc(-c2ccc(Cl)cc2)cc1	12346537	JFEVHSFLDJAJAI-FMQUCBEESA-N	295.773	5.761	10	40	CKCB	
c1ccc(/N=N\c2ccccc2/N=N/c2ccccc2)cc1	95470210	HGRDUZITLBEBJY-OLAQIDGISA-N	286.338	6.517	10	40	CKCB	
Cc1ccccc1/N=N/c1sc2ccccc2c1O	95099929	BDNICGKLAHCXEP-WUKNDPDISA-N	268.341	5.331	10	40	CKCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	8371312	MQNNJDXLAUOKQZ-YZVOILCLSA-N	295.813	5.475	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	409155215	COEJRUDAQJKXES-MDOVXXIYSA-N	293.385	5.269	10	40	CKCB	
CCCC(=O)Nc1cc(C)ccc1/N=N\c1ccc(C)cc1	104166417	LRRGWTBYUQFSFV-MRCUWXFGSA-N	295.386	5.457	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2	6944039	QZXUDIHLOCFFAY-HLIPFELVSA-N	293.385	5.215	10	40	CKCB	
c1ccc(/N=N\c2ccc3c(ccc4ccccc43)c2)cc1	100212010	LDXXLWOZELZFLU-DQRAZIAOSA-N	282.346	6.408	10	40	CKCB	
C1C2CC3CC1CC(N=NC14CC5CC(CC(C5)C1)C4)(C2)C3	245241061	WVQRDPQFWSLLII-UHFFFAOYSA-N	298.474	5.376	10	40	CKCB	
Cc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1	59267142	LMXVSNDDHUICEX-VKJFTORMSA-N	297.348	5.100	10	40	CKCB	
COc1ccc(Cl)cc1-n1c(C)ccc1-c1ccccc1	360897	QICJIJYKRWLYKI-UHFFFAOYSA-N	297.785	5.115	10	40	CKCB	
Cc1ccc(-c2ccccc2F)n1-c1ccc(C(C)C)cc1	228928884	FBRGIPHXOIHPSO-UHFFFAOYSA-N	293.385	5.715	10	40	CKCB	
Oc1ccc2ccccc2c1/N=N\c1cccc2ccccc12	102958348	CYZWPZHRSZNWLS-DQRAZIAOSA-N	298.345	6.114	10	40	CKCB	
C1=C[C@H]2c3ccc4ccccc4c3N[C@@H](c3ccncc3)[C@H]2C1	58851007	MHJXYKGBKSIBJM-HBFSDRIKSA-N	298.389	5.061	10	40	CKCB	
Fc1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@H]21	409169539	QPAOQTHYMBRXEP-XWCIJXRUSA-N	299.776	5.306	10	40	CKCB	
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	6962670	CWRHHVYKQAVYHZ-MDOVXXIYSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	20757577	SWSQGMOBPLHQGY-MBOZVWFJSA-N	275.395	5.130	10	40	CKCB	
Cc1ccc(-n2c(C)ccc2-c2ccccc2)cc1C	2120301	MPBMZIMEPJQBHB-UHFFFAOYSA-N	261.368	5.070	10	40	CKCB	
CC(C)c1cccc(C(C)C)c1NCc1ccccc1O	3183003	IJFVECRAGWBIFQ-UHFFFAOYSA-N	283.415	5.251	10	40	CKCB	
Oc1ccc(/N=N/c2ccccc2Cl)c2ccccc12	4616867	CGZFBHMTAKNASX-VHEBQXMUSA-N	282.730	5.614	10	40	CKCB	
CCOc1ccc(/N=N/c2cc(C(C)C)ccc2O)cc1	100014601	RRJIYLPMVLTWJJ-VHEBQXMUSA-N	284.359	5.330	10	40	CKCB	
CCc1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)cc1	409158472	LFYKWLHKPIEKIG-MDZRGWNJSA-N	293.385	5.215	10	40	CKCB	
c1ccc(/N=N\c2ccc3c(c2)Cc2ccccc2-3)cc1	104115251	CCYXIDZPPFRJML-MRCUWXFGSA-N	270.335	5.673	10	40	CKCB	
Cc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc1	4699048	LMXVSNDDHUICEX-MPGHIAIKSA-N	297.348	5.100	10	40	CKCB	
Cc1nc(/N=N/c2ccccc2)[nH]c1/N=N\c1ccccc1	100365660	JLRWIRBFDUKCMN-OLAQIDGISA-N	290.330	5.549	10	40	CKCB	
c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	3899979	LNVQBBHYPGFSMX-UHFFFAOYSA-N	270.335	5.132	10	40	CKCB	
Fc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)c1	409164203	DXUHKYNOBHAOSQ-DAYGRLMNSA-N	299.776	5.306	10	40	CKCB	
Cc1ccccc1/N=N/c1cc(O)cc2ccccc12	110297452	XQJVQIFRLHLMHS-VHEBQXMUSA-N	262.312	5.269	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	20757572	SWSQGMOBPLHQGY-ABSDTBQOSA-N	275.395	5.130	10	40	CKCB	
CCN(/N=N/c1ccc(C)cc1)/N=N/c1ccc(C)cc1	18067982	VQAVMXFAKOWZPK-XPWSMXQVSA-N	281.363	5.323	10	40	CKCB	
c1cc(/N=N/c2cccc3ncccc23)c2cccnc2c1	4728918	ORDJEIDQNAFJHK-QURGRASLSA-N	284.322	5.198	10	40	CKCB	
Oc1ccc2ccccc2c1/N=N/c1ccc(Cl)cc1	18067544	YDEBPHALQZHQLZ-VHEBQXMUSA-N	282.730	5.614	10	40	CKCB	
CCN(CC)c1ccc(/N=N\c2ccc(C)cc2)cc1	100992317	PLMSBTMZGPIOAZ-HNENSFHCSA-N	267.376	5.257	10	40	CKCB	
Cc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	409158323	XEOKFLFVCUVUPC-VDZJLULYSA-N	295.813	5.475	10	40	CKCB	
CCN(CC)c1ccc(/N=N/c2ccc(F)cc2)cc1	4774666	CJJHQGMPOHDAEG-VHEBQXMUSA-N	271.339	5.087	10	40	CKCB	
Cc1ccc(-c2ccoc2)n1-c1ccc(C(C)C)cc1	199760466	PYMSBYBNDNVNST-UHFFFAOYSA-N	265.356	5.169	10	40	CKCB	
CCCCc1ccc(/N=N/c2ccc(OCCC)cc2)cc1	3848680	NFJLLYSEVCCFGP-QZQOTICOSA-N	296.414	6.233	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	409153213	LWTXSNDMVFPJHX-ILZDJORESA-N	275.395	5.076	10	40	CKCB	
CCc1ccc(-n2c(C)ccc2-c2ccccc2)cc1	6871043	WJCOZJDMXNEIKD-UHFFFAOYSA-N	261.368	5.015	10	40	CKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	20758142	FWRPIAFDNHGBKT-WSTZPKSXSA-N	289.422	5.637	10	40	CKCB	
CN(C)c1ccc(/N=N/c2ccc(Cl)c(Cl)c2)cc1	17778120	UFIRCJCHYJYING-ISLYRVAYSA-N	294.185	5.475	10	40	CKCB	
Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	4155583	RZBJBIDHOBSXEP-MPGHIAIKSA-N	281.786	5.167	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	20754209	NHZLDWKRYOQEFL-MBOZVWFJSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	20757743	QBUVBHCWTNGRPC-FUHIMQAGSA-N	275.395	5.130	10	40	CKCB	
c1ccc(/N=N\c2ccc(/N=N\c3ccccc3)cc2)cc1	100214366	QLYZYCHWGGSYBD-WRBBJXAJSA-N	286.338	6.517	10	40	CKCB	
Nc1ccc(-c2ccc(/N=N/c3ccccc3)cc2)cc1	13403207	AJSGOWHOHHVXAV-QZQOTICOSA-N	273.339	5.351	10	40	CKCB	
Cc1ccc(C)n1-c1ccc(Oc2ccc(Cl)cc2)cc1	173099	LLZOHQYSSTYIAS-UHFFFAOYSA-N	297.785	5.540	10	40	CKCB	
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21	409153409	CWRHHVYKQAVYHZ-SXGZJXTBSA-N	293.385	5.269	10	40	CKCB	
Oc1ccc(/N=N/c2ccc(Cl)cc2)c2cccnc12	102034855	VTDPXQYPDDHNLB-VHEBQXMUSA-N	283.718	5.009	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	226807659	RLKYJFIGCXLORB-FUHIMQAGSA-N	275.395	5.130	10	40	CKCB	
Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1C	5011893	AWGVFXBQMOUMOR-UHFFFAOYSA-N	298.389	5.748	10	40	CKCB	
Fc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1	4155574	AHDBIRAJXUWVRI-RLFYNMQTSA-N	299.776	5.306	10	40	CKCB	
Oc1cc(/N=N/c2ccc(F)cc2)c2ccccc2c1	107952864	GDCNNLXZUWQPIW-VHEBQXMUSA-N	266.275	5.100	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	409155212	COEJRUDAQJKXES-AVYPCKFXSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1	226670737	NFDOHYKSKICDFC-GJYPPUQNSA-N	295.813	5.475	10	40	CKCB	
c1ccc([C@H]2Nc3ccccc3N[C@@H]2c2ccccc2)cc1	1728909	XQHUFNLOARWBAX-WOJBJXKFSA-N	286.378	5.007	10	40	CKCB	
CCc1ccc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1	8087404	LFYKWLHKPIEKIG-FCEWJHQRSA-N	293.385	5.215	10	40	CKCB	
Cc1cc(C)c2c(c1)N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21	58928546	GYMMFRSDYROWLI-UWVAXJGDSA-N	275.395	5.130	10	40	CKCB	
CC(C)c1ccc(/N=N\c2ccc(C(C)C)cc2)cc1	100232506	BCCJRCKGVMFWDL-VXPUYCOJSA-N	266.388	6.349	10	40	CKCB	
Cc1ccc(/N=N/c2c(O)ccc3ccccc23)cc1	18083745	JCZUIEHTNMQCRK-VHEBQXMUSA-N	262.312	5.269	10	40	CKCB	
CCC(CC)C(=S)/C=C1\Sc2ccccc2N1CC	100023705	XXBLHOPQYJKTTO-WJDWOHSUSA-N	291.485	5.266	10	40	CKCB	
Cc1ccc(/N=N/c2c(N)ccc3ccccc23)cc1	18068323	BQGNKVPRHVXLFL-FMQUCBEESA-N	261.328	5.146	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	409160600	UTLQYTRUXRYLAQ-SIFCLUCFSA-N	293.385	5.215	10	40	CKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	409159525	QURTYLWRADFHJY-JTDSTZFVSA-N	295.813	5.475	10	40	CKCB	
Cc1ccc(-c2ccc(C)n2-c2ccc(C(C)C)cc2)cc1	228919497	PEYPATPOFYQHGV-UHFFFAOYSA-N	289.422	5.885	10	40	CKCB	
CN(C)c1ccc(/N=N\c2cc(Cl)cc(Cl)c2)cc1	104085941	GTRBBODTGWNQQF-ZCXUNETKSA-N	294.185	5.475	10	40	CKCB	
Cc1ccccc1/N=N\c1c(O)ccc2ccccc12	17315617	BQFCCCIRTOLPEF-HNENSFHCSA-N	262.312	5.269	10	40	CKCB	
Cc1ccc(-c2cccc(F)c2)n1-c1ccc(C(C)C)cc1	199744367	APJPTLOKNXFETB-UHFFFAOYSA-N	293.385	5.715	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	20757747	QBUVBHCWTNGRPC-MBOZVWFJSA-N	275.395	5.130	10	40	CKCB	
Cc1noc(-c2ccccc2)c1/N=N/c1ccccc1	17060774	LSTKIGHUFIJZML-ISLYRVAYSA-N	263.300	5.065	10	40	CKCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2	4321221	HTPQDUAIFDURPW-PJIJBLCYSA-N	295.813	5.475	10	40	CKCB	
Cc1ccc(/N=N/c2c(O)ccc3ccccc23)cc1C	5257453	CDNZZXJHRHBOIR-FMQUCBEESA-N	276.339	5.578	10	40	CKCB	
Fc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1	409164206	DXUHKYNOBHAOSQ-VKJFTORMSA-N	299.776	5.306	10	40	CKCB	
Clc1cccc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21	226807336	BYWIOZQFLPVCBQ-KEYYUXOJSA-N	281.786	5.167	10	40	CKCB	
Cc1c(Cl)cccc1/N=N/c1ccc(O)c2ccccc12	4670484	NAUFCANFCGIQFV-FMQUCBEESA-N	296.757	5.923	10	40	CKCB	
Cc1cccc(/N=N\c2cc(C)nc(-c3ccccc3)n2)c1	95276450	XZIZWGBYMHABIB-DQRAZIAOSA-N	288.354	5.176	10	40	CKCB	
CCNc1ccc(Oc2cccc3ccccc23)cc1	216780809	YQZYTJJKXWRHAI-UHFFFAOYSA-N	263.340	5.064	10	40	CKCB	
Fc1cccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)c1	409166959	GISDWGLEAUMBLJ-VBQJREDUSA-N	299.776	5.306	10	40	CKCB	
CCc1ccc(/N=N/c2ccc(Br)cc2)cc1	18154161	IBDPZJBJJPCQDD-WUKNDPDISA-N	289.176	5.427	10	40	CKCB	
C1C2CC3CC1CC(/N=N/C14CC5CC(CC(C5)C1)C4)(C2)C3	5133287	WVQRDPQFWSLLII-QURGRASLSA-N	298.474	5.376	10	40	CKCB	
c1ccc2c(/N=N/c3cccc4ccccc34)cccc2c1	90755055	ICIDZHMCYAIUIJ-QURGRASLSA-N	282.346	6.408	10	40	CKCB	in-vitro
CSc1ccc(-c2ccc(C)n2-c2ccccc2)cc1	199761303	XCNSIRXXMNOTEO-UHFFFAOYSA-N	279.408	5.175	10	40	CKCB	
Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	205875626	CLBTZGVPSWBYAI-VKJFTORMSA-N	299.776	5.306	10	40	CKCB	
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	409153175	CWRHHVYKQAVYHZ-SIFCLUCFSA-N	293.385	5.269	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	6944048	WLLNLGXUQVPARG-HLIPFELVSA-N	275.395	5.076	10	40	CKCB	
Cc1cc(C)c2c(c1)N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21	6962645	SXJJUACECWLPPI-ABSDTBQOSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc(C)c(Nc2c3ccccc3nc3ccccc23)c1	5394301	CLHUKMDESYSMGH-UHFFFAOYSA-N	298.389	5.748	10	40	CKCB	
Fc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	95951751	DBHRGANISADCCD-UHFFFAOYSA-N	291.369	5.162	10	40	CKCB	
CCCCOc1ccc(/N=N/c2ccc(CC)cc2)cc1	3848676	WERIMWLPEDSRPX-FMQUCBEESA-N	282.387	5.843	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	409151784	CAPBQGWCFZQHBU-FUHIMQAGSA-N	293.385	5.269	10	40	CKCB	
CCc1ccc(O)c(/N=N/c2cccc3ccccc23)c1	4599092	LUJPAIKTPARZSX-FMQUCBEESA-N	276.339	5.523	10	40	CKCB	
CCCCCC[C@H](C)Nc1ccc(Nc2ccccc2)cc1	5315404	JQTYAZKTBXWQOM-KRWDZBQOSA-N	296.458	6.201	10	40	CKCB	
Oc1ccc(Cl)cc1/N=N\c1c(O)ccc2ccccc12	100455488	HQKOBNMULFASAN-HNENSFHCSA-N	298.729	5.320	10	40	CKCB	
Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	2474000	RZBJBIDHOBSXEP-VKJFTORMSA-N	281.786	5.167	10	40	CKCB	
Cc1cccc(Oc2ccc(-n3c(C)ccc3C)cc2)c1C	7468529	ZIBXSKFANSWLBX-UHFFFAOYSA-N	291.394	5.503	10	40	CKCB	
CCn1c2ccccc2c2ccc(/N=N/c3ccccc3)cc21	18067424	CNYXWEWFSUWBCI-QURGRASLSA-N	299.377	6.230	10	40	CKCB	
Cc1ccc(-c2ccccc2)n1-c1cccc2ccccc12	977545	SQSZCWZCKCQOHW-UHFFFAOYSA-N	283.374	5.606	10	40	CKCB	
Cc1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3C=CC[C@@H]32)cc1	226670541	DFCGKNCAAQWMDA-LQWHRVPQSA-N	289.422	5.438	10	40	CKCB	
Cc1cc(N(C)C)ccc1/N=N/c1ccc2ncccc2c1	18211623	PYUGLZIVWJGWCX-QZQOTICOSA-N	290.370	5.025	10	40	CKCB	
FC(F)(F)c1ccccc1/N=N/c1c[nH]c2ccccc12	18191559	UALODWHSZUNZNS-QZQOTICOSA-N	289.260	5.602	10	40	CKCB	
COc1ccccc1/N=N/c1sc2ccccc2c1O	100573343	SXGKPRZDOQGPCH-WUKNDPDISA-N	284.340	5.031	10	40	CKCB	
[N-]=[N+]=NC(c1ccccc1)(c1ccccc1)c1ccccc1	4771313	OZHQKHFCDZKWFC-UHFFFAOYSA-N	285.350	5.289	10	40	CKCB	
Cc1ccc(-n2c(C)ccc2-c2ccccc2)cc1Cl	8412970	GCXLOOQXRGXMGZ-UHFFFAOYSA-N	281.786	5.415	10	40	CKCB	
Cc1ccc(/N=N/c2cc(-c3ccccc3)ccc2O)cc1	5543334	LWHHIMNQXAVIKL-QZQOTICOSA-N	288.350	5.783	10	40	CKCB	
CCn1c(/N=N/c2c(C)cc(C)cc2C)nc2ccccc21	4816041	VEVLSDDCJQRIFX-QZQOTICOSA-N	292.386	5.397	10	40	CKCB	
Cc1ccc(-c2cccc(Cl)c2)n1-c1ccccc1	35273037	IYWUZAUEJUMXGU-UHFFFAOYSA-N	267.759	5.106	10	40	CKCB	
Cc1ccc(-c2ccccc2)n1-c1cccc(Cl)c1	5589207	PNVMUHHSUXQDSQ-UHFFFAOYSA-N	267.759	5.106	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21	409151787	CAPBQGWCFZQHBU-MBOZVWFJSA-N	293.385	5.269	10	40	CKCB	
Clc1cc(Cl)cc(/N=N\c2ccccc2)c1	100354926	HZILWDQYQBVWEQ-NXVVXOECSA-N	251.116	5.409	10	40	CKCB	
Cc1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	409169108	PUZIBDYIROBOQZ-OHNRDTAOSA-N	295.813	5.475	10	40	CKCB	
Cc1[nH]c(/N=N\c2ccccc2)nc1/N=N\c1ccccc1	18085109	JLRWIRBFDUKCMN-WRBBJXAJSA-N	290.330	5.549	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	409159621	RLLFAQSIIVGKAU-SXGZJXTBSA-N	293.385	5.269	10	40	CKCB	
Cc1cccc(C)c1/N=N/c1c(C)cc(O)cc1C	100717103	SWHNYDMLYMUMPA-ISLYRVAYSA-N	254.333	5.041	10	40	CKCB	
CCN(/N=N\c1ccc(C)cc1)/N=N/c1ccc(C)cc1	104141008	VQAVMXFAKOWZPK-YAFCTCPESA-N	281.363	5.323	10	40	CKCB	
Fc1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@@H]21	409157791	RWKRLBCXEIHTQK-ZJNRKIDTSA-N	299.776	5.306	10	40	CKCB	
c1ccc([C@@H]2Nc3ccccc3N[C@@H]2c2ccccc2)cc1	15922377	XQHUFNLOARWBAX-BGYRXZFFSA-N	286.378	5.007	10	40	CKCB	
c1ccc(/N=N/c2ccccc2NNc2ccccc2)cc1	95470211	QMBCLWMHMHVQJG-LSDHQDQOSA-N	288.354	5.541	10	40	CKCB	
CC(C)(C)c1ccc(/N=N\c2ccc(O)cc2)cc1	104260767	QNPDODTZFASIHE-ZCXUNETKSA-N	254.333	5.105	10	40	CKCB	
Fc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1	13576369	AHDBIRAJXUWVRI-RKVPGOIHSA-N	299.776	5.306	10	40	CKCB	
Cc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc1	12630216	LMXVSNDDHUICEX-RKVPGOIHSA-N	297.348	5.100	10	40	CKCB	
Clc1cc(Cl)cc(/N=N/c2ccccc2)c1	17723708	HZILWDQYQBVWEQ-FOCLMDBBSA-N	251.116	5.409	10	40	CKCB	
Cc1ccc(-c2ccco2)n1-c1cc(Cl)cc(Cl)c1	1393040	XQPAUXVAGLPAPB-UHFFFAOYSA-N	292.165	5.353	10	40	CKCB	
Cc1ccccc1/N=N/c1c(N)ccc2ccccc12	17145826	BWLVSYUUKOQICP-FMQUCBEESA-N	261.328	5.146	10	40	CKCB	in-vitro
[N-]=[N+]=NCCCCCCCCCCCCCC(=O)O	230828170	BDKKINJEPJYWSL-UHFFFAOYSA-N	269.389	5.063	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	6967096	JRCDQNOMXFJEEN-SQGPQFPESA-N	293.385	5.269	10	40	CKCB	
Oc1c(/N=N/c2ccc(F)cc2)ccc2ccccc12	100717100	MASXPDHDCTUJJH-VHEBQXMUSA-N	266.275	5.100	10	40	CKCB	
Cc1ccc(-c2ccc(Cl)cc2)n1-c1ccccc1	5931015	ARPFEVLLURJSLY-UHFFFAOYSA-N	267.759	5.106	10	40	CKCB	
Clc1ccc(/N=N/Nc2ccc(Cl)cc2)cc1	18029147	JGGKQOIDGHALJJ-UHFFFAOYSA-N	266.131	5.104	10	40	CKCB	
Cc1cccc(-c2ccc(C)n2-c2ccc(C(C)C)cc2)n1	199746255	NWBMQXAHWYHQMH-UHFFFAOYSA-N	290.410	5.280	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	226903175	GHECMUFXGUDBEG-MBOZVWFJSA-N	293.385	5.269	10	40	CKCB	
Clc1cccc(/N=N\c2cccc(Cl)c2)c1	100349214	ZAUXEPYLONOZEK-NXVVXOECSA-N	251.116	5.409	10	40	CKCB	
ClC(Cl)=C/N=N\c1ccc(Cl)cc1Cl	104257855	PODGOMIYICKHFP-YPKPFQOOSA-N	269.946	5.354	10	40	CKCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	8371339	MQNNJDXLAUOKQZ-QMTMVMCOSA-N	295.813	5.475	10	40	CKCB	
Oc1ccc(/N=N/c2cccc3ccccc23)c2cccnc12	6345280	UBQQPYJRFSCNRS-QURGRASLSA-N	299.333	5.509	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	6943987	UTLQYTRUXRYLAQ-QEEYODRMSA-N	293.385	5.215	10	40	CKCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2	14460284	SALHZDXWFMJPAX-GJYPPUQNSA-N	295.813	5.475	10	40	CKCB	
CN(C)c1ccc(/N=N/c2cccc(C(F)(F)F)c2)cc1	3874078	VEPXTLDJAORPCZ-FMQUCBEESA-N	293.292	5.187	10	40	CKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	8276616	NSGTXULNJIRAFW-YZVOILCLSA-N	295.813	5.475	10	40	CKCB	
c1ccc(/N=N/c2ccccc2/N=N/c2ccccc2)cc1	13402458	HGRDUZITLBEBJY-FLFKKZLDSA-N	286.338	6.517	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21	6967103	RTWWMLTXWOBRFY-MDOVXXIYSA-N	293.385	5.269	10	40	CKCB	
Fc1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@H]21	409169538	QPAOQTHYMBRXEP-PSTGCABASA-N	299.776	5.306	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2	6962712	NRFOKLKPMHJQDA-UWVAXJGDSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc(-c2ccc(F)cc2)n1-c1ccc(Cl)cc1	1403483	BZERNHLUCJECCZ-UHFFFAOYSA-N	285.749	5.245	10	40	CKCB	
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	8336100	QURTYLWRADFHJY-FRQCXROJSA-N	295.813	5.475	10	40	CKCB	
Fc1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@@H]21	409169536	QPAOQTHYMBRXEP-BWACUDIHSA-N	299.776	5.306	10	40	CKCB	
c1ccc2cc(/N=N\c3cccc4ccccc34)ccc2c1	104343860	INTYTLPOFHZKQE-DQRAZIAOSA-N	282.346	6.408	10	40	CKCB	
Oc1ccc(C2CCCCC2)cc1/N=N/c1ccccc1	226272303	GRMSLAKQCVMUTI-FMQUCBEESA-N	280.371	5.855	10	40	CKCB	
CC(C)c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1	58928466	BULDFLACLVIWBT-CUWPLCDZSA-N	289.422	5.637	10	40	CKCB	
Oc1ccc2ccccc2c1CNc1ccc2ccccc2c1	1679495	FDLFDSDZJXCTHE-UHFFFAOYSA-N	299.373	5.311	10	40	CKCB	
[N-]=[N+]=NCCCCCCCCCCCCCCC(=O)O	34204427	PYGQAGHMXCCROO-UHFFFAOYSA-N	283.416	5.453	10	40	CKCB	
Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	179774	COHMVEZBHSOLFC-HDMKZQKVSA-N	299.776	5.306	10	40	CKCB	
Fc1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	20700403	XTBIBSPEHQXEQQ-QFSBIZTOSA-N	299.776	5.306	10	40	CKCB	
Cc1ccc(/N=N\c2c(O)ccc3ccccc23)cc1	104081686	JCZUIEHTNMQCRK-HNENSFHCSA-N	262.312	5.269	10	40	CKCB	
CCc1ccc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)cc1	409161883	BQTFOQWXNJWOBU-HLIPFELVSA-N	293.385	5.215	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21	20754354	MLDPKAWULSAJQA-FUHIMQAGSA-N	293.385	5.269	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	409170786	WLLNLGXUQVPARG-FUHIMQAGSA-N	275.395	5.076	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	409174568	NRFOKLKPMHJQDA-MBOZVWFJSA-N	293.385	5.269	10	40	CKCB	
Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2	4320908	QVDQZGUDCMASFY-JCGVRSQUSA-N	299.776	5.306	10	40	CKCB	
Cc1c(C)c(/N=N\c2ccccc2)c(C)c(C)c1O	104260139	GFBMQRZQDSJVCU-ZCXUNETKSA-N	254.333	5.041	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21	409154055	JRCDQNOMXFJEEN-FUHIMQAGSA-N	293.385	5.269	10	40	CKCB	
Clc1ccc(/N=N/c2c[nH]c3ccccc23)cc1	18191551	CRLHQIASHPZSQP-ISLYRVAYSA-N	255.708	5.237	10	40	CKCB	
CCc1cccc(CC)c1-n1c(C)ccc1-c1ccccc1	1667705	ZPGIOLFZGBOCJC-UHFFFAOYSA-N	289.422	5.578	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2	6943952	QZXUDIHLOCFFAY-UWVAXJGDSA-N	293.385	5.215	10	40	CKCB	
c1ccc2cc(/N=N/Nc3ccc4ccccc4c3)ccc2c1	18054873	IFIYWEWLCDTTHL-UHFFFAOYSA-N	297.361	6.104	10	40	CKCB	
CC(C)c1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	6347706	FWRPIAFDNHGBKT-CMKODMSKSA-N	289.422	5.637	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	6967093	MLDPKAWULSAJQA-SQGPQFPESA-N	293.385	5.269	10	40	CKCB	
Fc1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@H]21	409157781	RWKRLBCXEIHTQK-SNUQEOBHSA-N	299.776	5.306	10	40	CKCB	
Oc1cc2c(cc1/N=N\c1ccccc1)Cc1ccccc1-2	104389634	FUEKEVTXXAJVPQ-MRCUWXFGSA-N	286.334	5.379	10	40	CKCB	
Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	4156816	COHMVEZBHSOLFC-RLFYNMQTSA-N	299.776	5.306	10	40	CKCB	
Clc1ccc(/N=N/c2ccc(Br)cc2)cc1	17920021	FICSPQVTDKNMFD-FOCLMDBBSA-N	295.567	5.518	10	40	CKCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	4321219	HTPQDUAIFDURPW-BIENJYKASA-N	295.813	5.475	10	40	CKCB	
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	20757938	MQNNJDXLAUOKQZ-ZRGWGRIASA-N	295.813	5.475	10	40	CKCB	
CCCCC(=O)c1sc2ccc(Cl)cc2c1C	575243120	LHUKLOWBSMORNA-UHFFFAOYSA-N	266.793	5.236	10	40	CKCB	
CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	6944072	UTLQYTRUXRYLAQ-STXHMFSFSA-N	293.385	5.215	10	40	CKCB	
Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	169313695	RZBJBIDHOBSXEP-RVKKMQEKSA-N	281.786	5.167	10	40	CKCB	
CC(C)Nc1ccc(Nc2ccc(NC(C)C)cc2)cc1	5498921	VDPQCTCYTUTBQU-UHFFFAOYSA-N	283.419	5.071	10	40	CKCB	
Cc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21	6968657	XEOKFLFVCUVUPC-HHXXYDBFSA-N	295.813	5.475	10	40	CKCB	
Cc1ccc(-c2ccccc2)n1-c1ccccc1C(C)C	8413490	STKKCPQJONCWAF-UHFFFAOYSA-N	275.395	5.576	10	40	CKCB	
CCc1ccc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)cc1	409158467	LFYKWLHKPIEKIG-GJYPPUQNSA-N	293.385	5.215	10	40	CKCB	
Cc1ccc2c(c1C)N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21	20754357	MLDPKAWULSAJQA-MBOZVWFJSA-N	293.385	5.269	10	40	CKCB	
c1ccc(/N=N\c2ccc(/N=N/c3ccccc3)cc2)cc1	100214370	QLYZYCHWGGSYBD-OLAQIDGISA-N	286.338	6.517	10	40	CKCB	
CCc1cccc2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21	6944905	WDODSZFMLDWUMN-YVWKXTFCSA-N	293.385	5.215	10	40	CKCB	
CC(=O)c1cc2cc(/N=N/c3ccccc3)ccc2o1	4492475	JKNQGSAWBAPDSR-ISLYRVAYSA-N	264.284	5.051	10	40	CKCB	
Fc1cccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)c1	409166962	GISDWGLEAUMBLJ-ZQIUZPCESA-N	299.776	5.306	10	40	CKCB	
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	8276816	NSGTXULNJIRAFW-QMTMVMCOSA-N	295.813	5.475	10	40	CKCB	
Clc1ccc(/N=N\c2ccc(Cl)cc2)cc1	100437787	XHQLXCFUPJSGOE-NXVVXOECSA-N	251.116	5.409	10	40	CKCB	
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	14464957	BGXYZPIGOJSEAN-GJYPPUQNSA-N	295.813	5.475	10	40	CKCB	
C1=C[C@@H]2c3c(ccc4ccccc34)N[C@@H](c3ccccc3)[C@@H]2C1	1515151	QRNCQNCMEJDRCT-JQVVWYNYSA-N	297.401	5.666	10	40	CKCB	
CCc1ccc(-c2ccc(C)n2-c2ccccc2)cc1	199745120	JPQYLXVSULPUMK-UHFFFAOYSA-N	261.368	5.015	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21	20754206	NHZLDWKRYOQEFL-ABSDTBQOSA-N	293.385	5.269	10	40	CKCB	
CN(C)c1ccc(/N=N/c2ccc3ccccc3c2)cc1	18068556	RGYAGKVUDLVFOW-FMQUCBEESA-N	275.355	5.321	10	40	CKCB	
Oc1ccc2ccccc2c1/N=N\c1ccc(Cl)cc1	104392890	YDEBPHALQZHQLZ-HNENSFHCSA-N	282.730	5.614	10	40	CKCB	
CN(C)c1ccc(/N=N\c2c(O)ccc3ccccc23)cc1	104223884	KSGXGIDRHWKRFO-VXPUYCOJSA-N	291.354	5.027	10	40	CKCB	
Cc1ccc(-c2ccccc2)n1-c1ccc(Cl)cc1	5930999	BZPQLJRROGWWPZ-UHFFFAOYSA-N	267.759	5.106	10	40	CKCB	
Cc1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	6968671	PUZIBDYIROBOQZ-WTANOLMUSA-N	295.813	5.475	10	40	CKCB	
Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)C2CC2)cc1	18086973	DSWDPYAVLIHLGK-QZQOTICOSA-N	293.370	5.067	10	40	CKCB	
Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	4714732	KTFWKOXVMZSFHO-UHFFFAOYSA-N	284.362	5.440	10	40	CKCB	
Fc1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	226721989	UVZWALWZTOXFRZ-KEYYUXOJSA-N	299.776	5.306	10	40	CKCB	
CC(C)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1	18157568	GIYUBPYYTBWGPK-VHEBQXMUSA-N	267.376	5.291	10	40	CKCB	
Cc1ccc(-c2ccc(C)n2-c2ccc(C(C)C)cc2)o1	199733894	PTXHERXQLGRTKZ-UHFFFAOYSA-N	279.383	5.478	10	40	CKCB	
Oc1ccc2ccccc2c1/N=N/c1ccnc(Cl)c1	4473119	PDDUPGURAYRISW-VHEBQXMUSA-N	283.718	5.009	10	40	CKCB	
Fc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1	4155570	AHDBIRAJXUWVRI-HDMKZQKVSA-N	299.776	5.306	10	40	CKCB	
CCc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21	6944885	POSGFPKBZGVYGA-YVWKXTFCSA-N	293.385	5.215	10	40	CKCB	
Fc1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	14466155	XTBIBSPEHQXEQQ-JKDFXYPNSA-N	299.776	5.306	10	40	CKCB	
CN(C)c1ccc(/N=N/c2cccc(Cl)c2Cl)cc1	18101195	ZLKSFACZQYTCIF-ISLYRVAYSA-N	294.185	5.475	10	40	CKCB	
CCCCCC(=O)Oc1ccc(/N=N/c2ccccc2)cc1	4675333	JGJMQCYSLCMKIT-FMQUCBEESA-N	296.370	5.588	10	40	CKCB	
Cc1ccc(C)c2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	409155217	COEJRUDAQJKXES-SIFCLUCFSA-N	293.385	5.269	10	40	CKCB	
Cc1ccc(-c2ccc(C)n2-c2ccc(Cl)cc2)cc1	13120164	NZIPXLYJICJPJI-UHFFFAOYSA-N	281.786	5.415	10	40	CKCB	
Cc1cc(C)c2c(c1)N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21	6962654	CWRHHVYKQAVYHZ-AVYPCKFXSA-N	293.385	5.269	10	40	CKCB	
Oc1c(/N=N\c2ccccc2)c2ccccc2c2ccccc12	104356490	WAVHCKVIMLPQQP-DQRAZIAOSA-N	298.345	6.114	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	6962706	GHECMUFXGUDBEG-UWVAXJGDSA-N	293.385	5.269	10	40	CKCB	
CN(C)c1ccc(/N=N\c2ccc3ccccc3c2)cc1	101258975	RGYAGKVUDLVFOW-VXPUYCOJSA-N	275.355	5.321	10	40	CKCB	
CN(C)c1ccc(/N=N/c2ccc(C(C)(C)C)cc2)cc1	17723653	JWLFMUICIGZZCE-FMQUCBEESA-N	281.403	5.466	10	40	CKCB	
Clc1cccc(/N=N/c2ccccc2Cl)c1	4127758	CAGZFDUVHBQWBO-FOCLMDBBSA-N	251.116	5.409	10	40	CKCB	
COc1ccc(-n2c(C)ccc2-c2ccccc2)cc1Cl	8413262	ZHYGUBIPDIBDSV-UHFFFAOYSA-N	297.785	5.115	10	40	CKCB	
COc1cccc(-n2c(C)ccc2-c2cccc(Cl)c2)c1	199743899	XTTSSSQDLMDUSD-UHFFFAOYSA-N	297.785	5.115	10	40	CKCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	226807669	RLKYJFIGCXLORB-MBOZVWFJSA-N	275.395	5.130	10	40	CKCB