smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc([N+](=O)[O-])cc1	100508269	KMOSZMOEOSCFRJ-AMBBKQMRSA-N	287.319	2.747	50	40	CFGB	
CC[C@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	20190689	IZVAYQZEQANPHN-JTQLQIEISA-N	275.801	2.545	50	40	CFGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(C)cc2O)c1	4746732	QPGLCBLDYYZKBT-VXLYETTFSA-N	297.358	2.571	50	40	CFGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccccc1	409382143	YNBJTVSADXRNIH-GDNBJRDFSA-N	265.316	2.782	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)[C@H]1C[C@H]2CC[C@@H]1C2	5621196	FENJDODVLIIMQQ-PZEKQYFXSA-N	272.348	2.934	50	40	CFGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1O	6218222	FALLOHUZVUTJNX-JYRVWZFOSA-N	294.310	2.952	50	40	CFGB	
CCc1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1	30803186	XFCKTDIUVUZTJY-ZDLGFXPLSA-N	267.332	2.716	50	40	CFGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccco1	253233	UZLCCZMTOAJPRS-LZYBPNLTSA-N	292.722	2.771	50	40	CFGB	
Cc1nc2ccccn2c1C(=O)NN=C1CCCCC1	6210473	AKKDVLBWWYYDON-UHFFFAOYSA-N	270.336	2.693	50	40	CFGB	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2O)cc1	2768338	ZSZMKLSZXMSVRD-MHWRWJLKSA-N	292.338	2.924	50	40	CFGB	
C/C(=N/NC(=O)c1ccccc1O)[C@@H]1C[C@H]2CC[C@H]1C2	107926099	FENJDODVLIIMQQ-ZIDSVENASA-N	272.348	2.934	50	40	CFGB	
O=S(=O)(NC1CCCC1)c1ccc(CCCl)cc1	20190695	NQBBHPNMYSSQGI-UHFFFAOYSA-N	287.812	2.689	50	40	CFGB	
C=CCNC(=O)/C(C#N)=C/c1ccccc1Br	3570475	DDACZWMBEXAWIL-DHZHZOJOSA-N	291.148	2.658	50	40	CFGB	
CC(C)[C@H](Br)C(=O)NCc1ccccc1F	19435635	GTHBCOVKMPAFBJ-NSHDSACASA-N	288.160	2.861	50	40	CFGB	in-vitro
C/C(=N\NC(=O)CNC1CCCCC1)c1cccs1	409389153	ZNRRLTBNZRTKFQ-LFIBNONCSA-N	279.409	2.511	50	40	CFGB	
C#C[C@](Cn1cncn1)(O[Si](C)(C)C)C(C)(C)C	255189004	NBSRWABODHFQIG-CYBMUJFWSA-N	265.433	2.548	50	40	CFGB	
C[C@@H](Cl)C(=O)c1ccc(OCCN2CCCC2)cc1	575358868	HDQXBOYINZSJDC-GFCCVEGCSA-N	281.783	2.971	50	40	CFGB	
C[C@H]1[C@@H]2C[C@@H](C/C2=N\NC(=O)c2ccncc2)C1(C)C	16034533	IOTDVNRGAXIZDI-GYUBLSHTSA-N	271.364	2.870	50	40	CFGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	5731375	RJQAXPSLBIDXTA-NTEUORMPSA-N	293.282	2.889	50	40	CFGB	
O=c1cc(CCl)nc(C23CC4CC(CC(C4)C2)C3)[nH]1	11328284	FSPBZUNSFVOYHG-UHFFFAOYSA-N	278.783	2.977	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)cc1C	61802	DJRFIUSQLVWRQQ-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
COc1ccccc1OCC(=O)NN=C1CCCCC1	510817	GRJYBXCCIFWJEW-UHFFFAOYSA-N	276.336	2.510	50	40	CFGB	
N#CCCN(CCc1ccccc1)C(=O)C(Cl)Cl	1614585	IJSHQTDKBGSAFD-UHFFFAOYSA-N	285.174	2.775	50	40	CFGB	
CO[C@H](C(=O)N/N=C(\C)c1cccs1)c1ccccc1	408831063	PKFHUWJCJKGPBP-LUYJPIOASA-N	288.372	2.976	50	40	CFGB	
COc1ccccc1C1=NO[C@@H](CBr)C1	217843194	UOSKIPXXOMDWST-MRVPVSSYSA-N	270.126	2.583	50	40	CFGB	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)O	48638728	GFAJBBSHZCKQSX-BJMVGYQFSA-N	273.679	2.517	50	40	CFGB	
Nc1ccc(Cl)cc1C(=O)NNc1ccccc1	159781	RTDRHIWNISFUHR-UHFFFAOYSA-N	261.712	2.679	50	40	CFGB	
NC(=O)N/N=C\c1c2ccccc2cc2ccccc12	4566063	UDRHLNLVJZOJSF-ZDLGFXPLSA-N	263.300	2.995	50	40	CFGB	
CC/C(Cc1ccccc1)=N\NC(=O)Cn1nc(C)cc1C	5119623	VGJHXVCVNYGPOM-FBMGVBCBSA-N	298.390	2.625	50	40	CFGB	
Cc1cc(/C=C(/C#N)C(=O)OC(C)C)cc(C)c1O	44867293	OHNILDWQIBROGF-QPEQYQDCSA-N	259.305	2.868	50	40	CFGB	
Cc1cc(C)c(/C=N\NC(=O)c2ccncc2)c(C)c1	25665788	BKAZOJCNGPCUGN-ZDLGFXPLSA-N	267.332	2.771	50	40	CFGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	59333503	CETCHNLGIVMBEH-UITAMQMPSA-N	269.131	2.989	50	40	CFGB	
N#C[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br	253532872	DEEVDUKZMAWCQE-IGQOVBAYSA-N	291.192	2.794	50	40	CFGB	
O=S(=O)(N[C@H]1CCCC[C@@H]1Cl)c1ccccc1	1643927	VHVYFYASSLVPSH-RYUDHWBXSA-N	273.785	2.515	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2cccc3cc[nH]c23)cc1	3169244	AUHFWIJRYSWQHD-YBFXNURJSA-N	293.326	2.940	50	40	CFGB	
C/C(=N\NC(=O)c1cccc(C)c1)c1ccc(O)cc1	502779	RONYATGCAGFXCI-SFQUDFHCSA-N	268.316	2.855	50	40	CFGB	
CC(C)OC(CBr)CBr	1592143	JEAOJJGVGMVMFZ-UHFFFAOYSA-N	259.969	2.570	50	40	CFGB	
CCOC(=O)OCCSSC(C)(C)C(=O)OCC	1626944	NSUIEZYSFANJLK-UHFFFAOYSA-N	296.410	2.883	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(N)cc1)c1ccc(F)cc1	4697576	FJOFDZJTFMMKCX-VCHYOVAHSA-N	271.295	2.562	50	40	CFGB	
COc1cccc(C(=O)N/N=C2/C[C@H]3CC[C@H]2C3)c1	103795691	DDFXZNFQISCFDQ-OULFDTIJSA-N	258.321	2.601	50	40	CFGB	
CCOC(=O)[C@H](Cl)/C(C)=N/c1ccccc1N	100011199	YHXYZCGRGQECIM-OXFWXOROSA-N	254.717	2.532	50	40	CFGB	
N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(N)=O	408942280	YUXUYUXFLJCOKJ-AUWJEWJLSA-N	296.301	2.797	50	40	CFGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccccc1	5164087	JWVMPRVTJBQGAH-GZTJUZNOSA-N	282.299	2.569	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2ccoc2C)cc(C)c1O	8228966	RPVSQELBKJHYII-LZYBPNLTSA-N	272.304	2.674	50	40	CFGB	
CC1=C/C(=N\NC(=O)NCCc2cccs2)CC1	97931204	JWJSBKRLZPWCCW-PTNGSMBKSA-N	263.366	2.686	50	40	CFGB	
CC(C)COc1ccccc1/C=N/NC(=O)c1ccncc1	408601254	JJDBNEGVJZNZBC-YBFXNURJSA-N	297.358	2.880	50	40	CFGB	
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)CCl	83264724	OLKZBAFBHRIJEV-SECBINFHSA-N	261.749	2.584	50	40	CFGB	
Cc1ccc(SCC(=O)NNC(=O)CC(C)(C)C)cc1	12915168	JGMCWWBSUKOUNH-UHFFFAOYSA-N	294.420	2.671	50	40	CFGB	
Br[C@@H]1[C@@H]2C[C@@H]3[C@H]1[N+]3(Cc1ccccc1)C2	4277194	XHYJGHLAIHMIPV-DVKSKCSOSA-N	265.174	2.551	50	40	CFGB	
O=c1c2c3c(sc2ncn1CCCCl)CCCC3	6253029	HRNVQYJGZIHMQN-UHFFFAOYSA-N	282.796	2.966	50	40	CFGB	
COC(=O)N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	4860725	MKJQMUYUMFVWQT-ZSOIEALJSA-N	289.247	2.545	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(C)c1O	6825862	MZFSDOXBLFZTSY-GIJQJNRQSA-N	286.306	2.912	50	40	CFGB	
CCC(CC)=NNC(=O)C(=O)Nc1ccccc1Cl	59434379	IRYIEOAWBBXJOT-UHFFFAOYSA-N	281.743	2.571	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2ccsc2)cc1C	409001895	XMNALTXIOVZXSV-CAOOACKPSA-N	287.388	2.927	50	40	CFGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(C)c1C	408768465	FXHHLJYMZDVTCV-VCHYOVAHSA-N	299.374	2.723	50	40	CFGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1O	408741602	KFSCYQAEBLUGJH-JLHYYAGUSA-N	294.310	2.946	50	40	CFGB	
CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@@]2(CO)CCCN12	1857776027	UEZMBVPCOJWAER-UKRRQHHQSA-N	285.504	2.998	50	40	CFGB	
N#CCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1	262846	MOHTXXUYVZVFMY-LDADJPATSA-N	279.299	2.843	50	40	CFGB	
C[C@H](Sc1ccccn1)C(=O)NN=C1CCCC1	5130166	QIUHQPDKBBRVOA-JTQLQIEISA-N	263.366	2.608	50	40	CFGB	
COc1ccccc1C(=O)N/N=C/c1ccc(C)s1	5618612	BIXRORHCVFMWHU-OQLLNIDSSA-N	274.345	2.829	50	40	CFGB	
CSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1	8970273	ALYPSYUMKXGVOJ-NSHDSACASA-N	258.346	2.697	50	40	CFGB	
C=CCc1ccccc1OCC(=O)N/N=C/c1ccccc1	225697	JCPRAPBJTCGMLA-CPNJWEJPSA-N	294.354	2.944	50	40	CFGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1	44022811	JLQRWPTTYKKGRR-GXDHUFHOSA-N	270.332	2.683	50	40	CFGB	
C=CCn1cc(/C=C(/C#N)C(=O)N(C)C)c2ccccc21	59334561	FKGPVEWZSRQJFG-RAXLEYEMSA-N	279.343	2.822	50	40	CFGB	
CCOc1ccc(O)c(/C=N/NC(=O)c2ccccc2C)c1	9202636	PJAZSRUPQCTVMX-WOJGMQOQSA-N	298.342	2.863	50	40	CFGB	
CC(=O)N(C(C)C)N(C(=O)Cc1ccccc1)C(C)C	12346601	SSJFXIVIKFTHCV-UHFFFAOYSA-N	276.380	2.638	50	40	CFGB	
Cc1cccc2cc(/C=N/NC(=O)CC#N)c(Cl)nc12	5943109	BLJKYPQZOXBMTQ-CAOOACKPSA-N	286.722	2.560	50	40	CFGB	
CC(=O)N/N=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C	208206306	MODKMDWLRJNGLJ-MUOOZZNISA-N	273.380	2.879	50	40	CFGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)CC#N)cc21	208436832	SSKSKOHOUIHOSZ-YBFXNURJSA-N	296.374	2.682	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2ccc(Cl)cc2)cn1	30802849	RKWDKQXIGQRIQP-IUXPMGMMSA-N	273.723	2.807	50	40	CFGB	
COc1ccc(OCC(=O)N/N=C2/CCC[C@H](C)C2)cc1	33792371	NZRAFGJYULRCTJ-PAXVZKIFSA-N	290.363	2.756	50	40	CFGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(N(C)C)cc1	493665	MHIJXEIWFUZDBF-LDADJPATSA-N	281.359	2.825	50	40	CFGB	
CCN(CC)C(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1	59435603	UICVFUSOJZLQGO-UHFFFAOYSA-N	295.427	2.563	50	40	CFGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)OCC)cc1OCC	96662769	XYWANFUCJJXFAG-UVTDQMKNSA-N	299.326	2.567	50	40	CFGB	
N#CC(C#N)=Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1	35189719	DVUGUWQUBAEKIS-UHFFFAOYSA-N	281.227	2.991	50	40	CFGB	
CC1=CC(C)(C)N(C(C)(C)C(=O)NN)c2ccc(F)cc21	223207483	UINBDRFHQNHOSN-UHFFFAOYSA-N	291.370	2.596	50	40	CFGB	
CC(C)(C)OC(=O)N1CCCC[C@H](Br)C1=O	98213719	DMCYBVCCGFTNNH-QMMMGPOBSA-N	292.173	2.698	50	40	CFGB	
O=C(COc1ccc(F)cc1)NN=C1CCCCC1	6686650	DTXPPXCMBOEDPH-UHFFFAOYSA-N	264.300	2.641	50	40	CFGB	
CC(=O)Nc1ccc(SC#N)cc1Br	4545676	CXNCAFYOKDWDOL-UHFFFAOYSA-N	271.139	2.981	50	40	CFGB	
CCOc1cc(Cl)c(/C=N/NC(C)=O)cc1OCC	409012181	JKMDYFFRKDLSGR-OVCLIPMQSA-N	284.743	2.607	50	40	CFGB	
C[C@H](Cl)C(=O)c1ccc(OCCN2CCCC2)cc1	575358869	HDQXBOYINZSJDC-LBPRGKRZSA-N	281.783	2.971	50	40	CFGB	
O=C1OC(=O)c2cc([N+](=O)[O-])c(Cl)c3cccc1c23	100027178	IJVILRCYHDHVKF-UHFFFAOYSA-N	277.619	2.712	50	40	CFGB	
CCOc1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1	4890890	IARLOUQDSFNHON-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
Cc1cc(C)nc(NNC(=O)Nc2ccc(Cl)cc2)n1	8774752	QEWRRUOZXYCCND-UHFFFAOYSA-N	291.742	2.895	50	40	CFGB	
O=C(N/N=C1\C[C@@H]2C=CC[C@@H]12)c1ccc(Cl)cc1O	17007672	ZPBWFUCYLLDCLG-SBDSFVMSSA-N	276.723	2.727	50	40	CFGB	
NNC(=O)c1cn(Cc2ccccc2Cl)c2ccccc12	216946226	FPKVPCGNSDTMKC-UHFFFAOYSA-N	299.761	2.947	50	40	CFGB	
Cc1ccc(-n2c(C)cc(C(=O)NN)c2C)c(Cl)c1	223702883	BESKYDSYRXELNP-UHFFFAOYSA-N	277.755	2.659	50	40	CFGB	
Cn1c(SCCCCl)nnc1-c1ccncc1	199783823	LWJRKKCQLNJMOK-UHFFFAOYSA-N	268.773	2.598	50	40	CFGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(C#N)cc1	47916	RKZAWWHRWQDNBK-MSSMSBRASA-N	281.359	2.835	50	40	CFGB	
CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)Cl)cc1	20280788	BCJPDLJPGGMXIB-VIFPVBQESA-N	269.728	2.818	50	40	CFGB	in-vitro
CCOC(=O)/C(C#N)=C\c1cc2c(C)cc(C)cc2[nH]c1=O	4778893	FEZCHZYNYMAMAU-QPEQYQDCSA-N	296.326	2.615	50	40	CFGB	
C[C@H](Cl)C(=O)N(CCC#N)c1ccc(F)cc1	38338678	XAVBLBHZGOJNPR-VIFPVBQESA-N	254.692	2.700	50	40	CFGB	
O=C(CCl)Nc1oncc1-c1ccc(F)cc1	40478736	OPIBTNITOHFBDV-UHFFFAOYSA-N	254.648	2.658	50	40	CFGB	
C/C(=N/NC(=O)c1cc(C2CC2)[nH]n1)c1ccc(C)cc1	13714626	WIABNQXUNUOVDQ-BOPFTXTBSA-N	282.347	2.750	50	40	CFGB	
CC(C)OC(=O)c1ccc(C(=O)CBr)cc1	68605209	XTFQRAKWSAQRHA-UHFFFAOYSA-N	285.137	2.829	50	40	CFGB	
COc1ccc(/C=N/NC(=O)CNc2cccc(C)c2)cc1	4746697	XJUCZWVLKQGAKZ-YBFXNURJSA-N	297.358	2.566	50	40	CFGB	
N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccccc1	408742043	MPRSSLXERPAABM-NTMALXAHSA-N	283.243	2.733	50	40	CFGB	
COc1ccc(N2CCCC2)c(NC(=O)[C@H](C)Cl)c1	34776818	QCYOWMAYFZYBSX-JTQLQIEISA-N	282.771	2.861	50	40	CFGB	
Cc1ccccc1CSCCNC(=O)CCl	19887496	QNPUIRVTDYLWTQ-UHFFFAOYSA-N	257.786	2.583	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(C)cc1	5868482	DKCSTCFVHHTAFQ-MDWZMJQESA-N	281.315	2.855	50	40	CFGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccncc1	175298	JICUSJASJIAWAO-OOIIIRTPSA-N	285.372	2.713	50	40	CFGB	
O=C(N/N=C/c1ccncc1)c1ccccc1-n1cccc1	3468684	LEIQMDAVBVVOMC-CPNJWEJPSA-N	290.326	2.636	50	40	CFGB	
CCOC(=O)/C(C#N)=C/[C@@H]1CCO[C@](C)(CC)C1	494408	WHTREOJLLJWTIG-NDBUSZBKSA-N	251.326	2.595	50	40	CFGB	
COc1ccc2c(c1)CC[C@@H]1C2=CC[C@@H]2C(=O)OC(=O)[C@@]21C	104373516	CFIUTHMLFDZXOQ-IIDMSEBBSA-N	298.338	2.751	50	40	CFGB	
CC(C)N1CCC(=NNC(=O)CCc2ccccc2)CC1	55074138	PXBNBUXGZAZBOE-UHFFFAOYSA-N	287.407	2.596	50	40	CFGB	
C#CCOc1ccc(C=C(C#N)C#N)cc1OCC	5712458	KJGMVOMUMYCTDP-UHFFFAOYSA-N	252.273	2.528	50	40	CFGB	
NC(=O)N/N=C\c1ccc(-c2ccccc2C(F)(F)F)o1	409200643	JEBHBOIQGZWBMK-WSVATBPTSA-N	297.236	2.968	50	40	CFGB	
O=C(N/N=C/c1ccc[nH]1)c1ccc2ccccc2c1	408599569	WMVFZWZQXMGTJT-WOJGMQOQSA-N	263.300	2.932	50	40	CFGB	
Cc1ccccc1Cn1c(C)c(C(=O)NN)c2ccccc21	216946370	CQIVZNLXJKCCBQ-UHFFFAOYSA-N	293.370	2.910	50	40	CFGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C)cc1C	43619	MWLHIOHPQRUPPK-OAHLLOKOSA-N	298.342	2.558	50	40	CFGB	
O=P(Cc1cc(O)n[nH]1)(c1ccccc1)c1ccccc1	3290358	GUFJYKPLZMDGPG-UHFFFAOYSA-N	298.282	2.629	50	40	CFGB	
CCCCOC(=O)NP1(=O)NCc2ccccc2CN1	104225632	WSBXQAALUGCIPO-UHFFFAOYSA-N	297.295	2.514	50	40	CFGB	
CCOC(=O)/C(C#N)=C(/C)c1ccc(OC)c(OC)c1	12504677	VRVDGLSITMUIHU-BENRWUELSA-N	275.304	2.564	50	40	CFGB	
O=C(NNc1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccco1	49376427	UOWFAHORFHRYFC-NWDGAFQWSA-N	260.268	2.666	50	40	CFGB	
CC(C)(C)OC(=O)[C@H](N)c1ccc(N=C=S)cc1	80430164	OGQHDSUPCRGSNY-LLVKDONJSA-N	264.350	2.762	50	40	CFGB	
COc1cc(Br)cc(/C=C(\C)C=O)c1O	40546308	GKPLZPXZGYWOCP-XVNBXDOJSA-N	271.110	2.766	50	40	CFGB	
COc1ccc(C[N@@]2C[C@]2(C)CBr)cc1	1857622559	GWZBGTBZXJLPDO-JSGCOSHPSA-N	270.170	2.664	50	40	CFGB	
CCC/C=N/NC(=O)CSc1nc2ccccc2o1	4117810	HKXAOWGUNUNSNS-RIYZIHGNSA-N	277.349	2.822	50	40	CFGB	
CC/C(=N\OCc1ccccc1)NNC(=O)c1ccccc1	4620976	INWABFQUAGFADF-UHFFFAOYSA-N	297.358	2.861	50	40	CFGB	
CC[C@@H](C)Sc1nnc(NC(=O)CCCl)s1	2451447	PFIPULXLLGVKCA-ZCFIWIBFSA-N	279.818	2.996	50	40	CFGB	
CCC[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	550613	MFNMAMXSYIZSGS-SECBINFHSA-N	282.299	2.763	50	40	CFGB	aggregator
COc1ccc(OCCN(CCCl)CCCl)cc1	1724231	RYEQNTPIZUOQAZ-UHFFFAOYSA-N	292.206	2.854	50	40	CFGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc[nH]2)c1	32578371	XZMJFOOJECMWLZ-FMIVXFBMSA-N	251.289	2.869	50	40	CFGB	
COc1ccc(OCC(=O)N/N=C/c2cccc(C)c2)cc1	499082	HRHNMFCTRRVYEG-WOJGMQOQSA-N	298.342	2.533	50	40	CFGB	
O=CN(Cc1ccccc1)/N=C/c1ccc([N+](=O)[O-])cc1	3153739	SEHYCRNGEZWJQA-MHWRWJLKSA-N	283.287	2.587	50	40	CFGB	
CCCCCCC(=O)N/N=C/c1ccccc1C(=O)O	5524973	SWEDLTCBEPWHMV-LFIBNONCSA-N	276.336	2.805	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(C)c([N+](=O)[O-])c1	408811158	LEPJXYSLUWUXHP-DELQEKLWSA-N	287.319	2.725	50	40	CFGB	
CC(=O)Nc1ccc2nc(NC(=O)[C@H](C)Cl)sc2c1	20132170	ACDFYNLLIVILQV-LURJTMIESA-N	297.767	2.821	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(OC)cc2)cc1	5282538	OYKWFVKWRMAZMH-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
O=C(N/N=C/c1ccoc1)c1ccccc1Br	15933696	SIPIPMAMSGZYQU-VGOFMYFVSA-N	293.120	2.806	50	40	CFGB	
Cc1c(C(=O)NNC(=O)CC(C)C)oc2ccc(F)cc12	8734022	UFUGCYLUKVHTSG-UHFFFAOYSA-N	292.310	2.687	50	40	CFGB	
CC(C)[C@@H](Br)C(=O)N1C[C@@H](C)C[C@@H](C)C1	19507991	NSMZGWTYMABJNA-OUAUKWLOSA-N	276.218	2.910	50	40	CFGB	in-vitro
CSC1=C(C#N)[C@]2(CCC[C@@H](C)C2)[C@@H](C#N)C(=O)N1	170622662	YNAVOJRYHMGRRQ-BFVZDQMLSA-N	275.377	2.551	50	40	CFGB	
CC1=C[C@]2(Nc3cc(C(C)C)ccc3O2)C(C#N)=C(N)O1	40546226	SLKVKUMPLORCSQ-MRXNPFEDSA-N	283.331	2.938	50	40	CFGB	
COc1cc(CNC(=O)CCl)cc2ccccc12	96527827	GYPZKXAKCAHVBE-UHFFFAOYSA-N	263.724	2.703	50	40	CFGB	
CCCC/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1	4595404	SRMQGIJENVDTHG-GXDHUFHOSA-N	263.297	2.891	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	277586	OGQNTBFUBRUDRI-DHZHZOJOSA-N	297.270	2.508	50	40	CFGB	
COc1ccccc1C(=O)N/N=C/c1ccccc1F	234839	YNZLTLJJKVZYSR-LICLKQGHSA-N	272.279	2.598	50	40	CFGB	
COC(=O)/C(C#N)=C/c1ccc(Br)s1	256294	YCCQWPRQOAAVCT-GQCTYLIASA-N	272.123	2.591	50	40	CFGB	
CC1(C)CC(=O)[C@@H](C(=O)/C=C/c2ccco2)C(=O)[C@@H]1Cl	104832586	NNZWVGFLAYKQKT-LJXRPBPOSA-N	294.734	2.654	50	40	CFGB	
O=C(COc1ccccc1)NNc1nc2ccccc2s1	554618	IXSUFVHXYAESQE-UHFFFAOYSA-N	299.355	2.818	50	40	CFGB	
O=C(CCl)NCc1c(Cl)cccc1-n1cccc1	4054840	LWBCMDZSFPGJCQ-UHFFFAOYSA-N	283.158	2.986	50	40	CFGB	
O=C(N/N=C/c1ccccc1O)[C@H]1C[C@@H]1c1ccccc1	5530889	WDDILJSKMLHYDK-PKMXSDERSA-N	280.327	2.646	50	40	CFGB	
COC(=O)c1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1	33694499	IDANFUMLGOEHIB-WQRHYEAKSA-N	296.326	2.546	50	40	CFGB	
CCC[C@H](C(=O)NN)N1c2ccccc2[C@H](C)CC1(C)C	260613070	CQBFVYFOVUPKQT-IUODEOHRSA-N	289.423	2.937	50	40	CFGB	
CNC(=O)/C(C#N)=C\c1ccc2c(c1)C(C)=CC(C)(C)N2C	208449115	MXSBMKXIATVWRV-ZSOIEALJSA-N	295.386	2.971	50	40	CFGB	
O=C(CCCl)Nc1ccccc1NC(=O)CCCl	6336810	HIBMKTSQDMMISJ-UHFFFAOYSA-N	289.162	2.821	50	40	CFGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1	58536693	QSLRIZGBTWMPPM-XFXZXTDPSA-N	285.303	2.561	50	40	CFGB	
C[C@H]1CN(/C(=C/C#N)c2ccc(F)cc2)C[C@@H](C)O1	72314599	NVUIYDNSZGBFNH-LRSXGLDUSA-N	260.312	2.799	50	40	CFGB	
CC(/C=N\NC(=O)c1ccccn1)=C\c1ccccc1	33294583	QIVJPFTZBKAJPU-FHPPUIMOSA-N	265.316	2.901	50	40	CFGB	
C/C(CC[C@H]1CCc2ccccc2C1)=N/NC(N)=O	5503183	HFNOOOSSOLEJDC-UEMWTREESA-N	259.353	2.616	50	40	CFGB	
CCCC(=O)NN(CC)c1cc(C)c(C#N)c(Cl)n1	12419231	XJIQJGMCVOYPOK-UHFFFAOYSA-N	280.759	2.573	50	40	CFGB	
O=C(NNC(=O)c1cccc(Cl)c1)NC1CCCCC1	4156162	OYAUDXLAOHHHAK-UHFFFAOYSA-N	295.770	2.617	50	40	CFGB	
COc1ccc(Br)c(CBr)n1	136236666	VRGDDQOMGYAWIT-UHFFFAOYSA-N	280.947	2.748	50	40	CFGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C)cc1C	43618	MWLHIOHPQRUPPK-HNNXBMFYSA-N	298.342	2.558	50	40	CFGB	
C[C@@H](OCCCl)OCc1ccc2c(c1)OCO2	2042595	SCBJLRVFLDVAKT-VIFPVBQESA-N	258.701	2.533	50	40	CFGB	
CO[C@]12CCCC[C@@]1(C)C(C#N)(C#N)C(C#N)=C(Cl)N2	35323786	CDRJQCYJRGLIRI-GXTWGEPZSA-N	290.754	2.520	50	40	CFGB	
ClCc1cc2c(cc1Br)OCCO2	4204496	MPYUWWANTIKFKC-UHFFFAOYSA-N	263.518	2.959	50	40	CFGB	
CCc1nc(NC(=O)[C@H](C)Br)sc1C	4511911	QZUBVHBFBZKVBI-YFKPBYRVSA-N	277.187	2.736	50	40	CFGB	
Cc1cccc(N(CCC#N)C(=O)CCl)c1C	68583527	MAHJFQNRLUSSKJ-UHFFFAOYSA-N	250.729	2.789	50	40	CFGB	
O=C(Cl)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	22124405	PBVAJCJMSQKCCN-SSDOTTSWSA-N	291.656	2.824	50	40	CFGB	
N#Cc1ccc(C(=O)N/N=C/C=C\c2ccccc2)cc1	408737750	WNZPZFAUEAATCK-ACUJIFODSA-N	275.311	2.987	50	40	CFGB	
CCOc1ccc([C@H]2OC[C@@H](CCl)O2)cc1OC	1689344	PVVFEBSSVWPLQF-MFKMUULPSA-N	272.728	2.747	50	40	CFGB	
O=C(NNc1cccc(Cl)n1)NC1CCCCC1	4419278	FDYLDMUQFUSMTG-UHFFFAOYSA-N	268.748	2.694	50	40	CFGB	
F[C@@H]1C[C@@H]2[C@@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F	100145992	DVWLACCWRDCQEN-TXICZTDVSA-N	285.590	2.787	50	40	CFGB	
O=C(N/N=C/c1ccncc1)C12CC3CC(CC(C3)C1)C2	3909333	ZVYAKLUGXGXGGK-YBFXNURJSA-N	283.375	2.748	50	40	CFGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	408883543	RHGIPIPZDKYAPQ-UKTHLTGXSA-N	294.310	2.946	50	40	CFGB	
O=C1ON=C(CCl)/C1=C\c1ccc(Br)o1	34926743	LQVQQAPKAJGVEJ-ZZXKWVIFSA-N	290.500	2.577	50	40	CFGB	
CN(C)/C=C(/C#N)C(=O)Nc1cc(Cl)cc(Cl)c1	12861058	NJQDDPIDMBHIFF-FPLPWBNLSA-N	284.146	2.901	50	40	CFGB	
Cc1cc(/C=C(/C#N)C(N)=O)c(C)n1-c1ccc(F)cc1	13799984	OZCVCHHUOIYKFN-JYRVWZFOSA-N	283.306	2.626	50	40	CFGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccnc1	43036	UEHLSZJDQXWTDH-YBFXNURJSA-N	291.310	2.704	50	40	CFGB	
COc1ccc(CC(=O)NN=C2CCCCC2)cc1OC	59515913	UFAFFXGIMYKOEU-UHFFFAOYSA-N	290.363	2.683	50	40	CFGB	
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1	4764034	RQKSKDPZNFTDJS-SFQUDFHCSA-N	297.314	2.678	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)o1	408796701	PQFQHPNAGHGJKW-CSKARUKUSA-N	284.271	2.539	50	40	CFGB	
O=S(=O)(c1ccccc1)C(F)(F)[C@@H](F)Cl	16924546	QDMZYPIQHAHYLZ-SSDOTTSWSA-N	258.648	2.588	50	40	CFGB	
C/C(=N\NC(N)=O)[C@@](C)(OCC(C)C)c1ccccc1	17156918	VPNNIROKWMPBJI-YHZJOHHESA-N	277.368	2.619	50	40	CFGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccnc1	535449	AACRMUOFQLNNSV-XYOKQWHBSA-N	267.263	2.766	50	40	CFGB	
COc1cc(CN(CCCl)CCCl)cc(OC)c1	1847097	FASWOAUBVKLDNH-UHFFFAOYSA-N	292.206	2.983	50	40	CFGB	
CN(C)CC[C@](C)(C(=O)CBr)c1ccccc1	6499680	UESDIBLBXYIRLZ-AWEZNQCLSA-N	298.224	2.860	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc2c(c1)OCO2	4611063	BRMYNNUFXFURIT-GZTJUZNOSA-N	282.299	2.569	50	40	CFGB	
CO[C@@H](C(=O)N/N=C/c1ccccc1F)c1ccccc1	408719573	GNJRRKRKBBHHIN-CLXYIWAZSA-N	286.306	2.664	50	40	CFGB	
Cc1nc(NC(=O)CCl)c(Cl)cc1Cl	3267991	JHRCHPNFKWSWAK-UHFFFAOYSA-N	253.516	2.874	50	40	CFGB	
CC(C)=NNC(=O)COc1ccc(Cl)cc1C	6527817	AIDLPFZHLYDEMN-UHFFFAOYSA-N	254.717	2.539	50	40	CFGB	
Cc1cc(Cl)ccc1-c1ccc(/C=C/C(=O)NN)o1	57351189	YNZPMKXCPVTJPA-QPJJXVBHSA-N	276.723	2.912	50	40	CFGB	
FC1(F)Oc2ccc(CBr)cc2O1	59840615	AJSFRSHQRVBBKB-UHFFFAOYSA-N	251.026	2.903	50	40	CFGB	
O=C(NNc1ccccc1)C1C[C@@H]2CCC[C@H](C1)C2=O	28467255	FSBAAUAJCVVJQM-FUNVUKJBSA-N	272.348	2.525	50	40	CFGB	
Cc1ccc(-n2c(C)cc(C(=O)NN)c2C)cc1Cl	223702580	CBBHGAHSNYKMBN-UHFFFAOYSA-N	277.755	2.659	50	40	CFGB	
CC1(C)CC(=O)C(C#N)=C(Nc2cccc(N)c2)C1	5260973	OPOYQBFPXCEJLD-UHFFFAOYSA-N	255.321	2.847	50	40	CFGB	
Cc1ccc(Cl)cc1-c1ccc(C(=O)NN)o1	226300503	BUZYQTFJWGQXQI-UHFFFAOYSA-N	250.685	2.512	50	40	CFGB	
O=C(NNC(=O)c1cccs1)Nc1ccc(Cl)cc1	585574	IGEWYPDRERTIJP-UHFFFAOYSA-N	295.751	2.868	50	40	CFGB	
Nc1ccc(S(=O)(=O)[C@@H](Cl)c2ccccc2)cc1	1703082	WLWWOOJBMLDPLN-CYBMUJFWSA-N	281.764	2.980	50	40	CFGB	
C[C@H](C(=O)NNc1ccccc1C(F)(F)F)n1cccn1	45067925	JLBTZBFZYHUZCX-SECBINFHSA-N	298.268	2.606	50	40	CFGB	
CCC(CC)=NNC(=O)C(=O)Nc1cc(Cl)ccc1C	59434253	RPZNDICQLXXKQT-UHFFFAOYSA-N	295.770	2.879	50	40	CFGB	
C[C@@]12CC[C@H](C[C@@H]1O)[C@@]2(C)CI	100746658	MBRHUYLTVIYBIZ-UTINFBMNSA-N	280.149	2.609	50	40	CFGB	
CC(C)(C)C1CCC(=C(C#N)C(=O)N2CCOCC2)CC1	5976472	JIWKVYWRGCNZNO-UHFFFAOYSA-N	290.407	2.902	50	40	CFGB	
CNC(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	40889079	TZABBQZVFNKCIN-YWEYNIOJSA-N	255.104	2.646	50	40	CFGB	
Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NN)(C4)C2)C3)cc1	18059023	WIIPTUCEIVCYAP-MWABVPJASA-N	284.403	2.823	50	40	CFGB	
Br[C@H]1[C@@H]2C[C@H]3[C@H]1[N+]3(Cc1ccccc1)C2	169799298	XHYJGHLAIHMIPV-JZQBXTLISA-N	265.174	2.551	50	40	CFGB	
COc1cc(/C=C(\C#N)C(=O)C(C)C)cc(OC)c1	40549600	DMSQFRQOKWBUHB-LFYBBSHMSA-N	259.305	2.836	50	40	CFGB	
O=C(CCSc1ccccc1)N/N=C/c1ccco1	59473425	UBPHBDCWVLPYLK-RVDMUPIBSA-N	274.345	2.912	50	40	CFGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccc(O)cc1	558985	BJBPCBQRTIRONX-CSKARUKUSA-N	254.245	2.531	50	40	CFGB	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)CCl	6882770	GFGQSTIUFXHAJS-OLZOCXBDSA-N	299.798	2.722	50	40	CFGB	
O=C(Cl)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1	68675259	CVMQXEXZQCQJSQ-UHFFFAOYSA-N	299.713	2.862	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1C	5697630	PZOKOYQUFXRKIZ-LICLKQGHSA-N	293.370	2.865	50	40	CFGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cc2ccccc2o1	13109170	HUYNVPAPUBSRKR-NVNXTCNLSA-N	299.242	2.698	50	40	CFGB	
O=C(CCl)NCCOc1ccc2ccccc2c1	41357800	CGYGCUMMGCNLNT-UHFFFAOYSA-N	263.724	2.574	50	40	CFGB	in-vitro
Cc1cc(C(=O)N/N=C/c2ccc(C#N)cc2)c(C)o1	3233012	GIXBFXXMYBBIJX-RQZCQDPDSA-N	267.288	2.532	50	40	CFGB	
N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(N)=O	408894588	JRPIBISLOZIWOA-NTEUORMPSA-N	296.301	2.797	50	40	CFGB	
C/C(Cc1ccccc1)=N\NC(=O)c1ccccc1O	5289460	BMSGZMZXJRSKQA-SFQUDFHCSA-N	268.316	2.741	50	40	CFGB	
N#C/C(=C\c1cccnc1)c1nc(O)c2ccccc2n1	8974774	QPMPPBBWDPVSFG-XYOKQWHBSA-N	274.283	2.795	50	40	CFGB	
Cc1n[nH]c(Sc2ccc(C(=O)Cl)cc2[N+](=O)[O-])n1	70462566	VJFLJKUJACWLKV-UHFFFAOYSA-N	298.711	2.552	50	40	CFGB	
CC[C@@H](Cl)C(=O)c1ccc(C(=O)OC)cc1C	575362250	BPYICRDVOQIUEN-LLVKDONJSA-N	254.713	2.982	50	40	CFGB	
Cc1cccc(NCC(=O)N/N=C/c2cccs2)c1	61753	XVNAGGSOOWHVPN-CXUHLZMHSA-N	273.361	2.619	50	40	CFGB	
COc1ccc2c(c1)CCC1=C2CC[C@H]2C(=O)OC(=O)[C@]12C	103891327	GMONDBYKIPBMHG-MAUKXSAKSA-N	298.338	2.895	50	40	CFGB	
O=C1OC(=O)c2ccccc2/C1=C\Nc1ccc(O)cc1	103324227	JOXWHLXKROCBLT-NTEUORMPSA-N	281.267	2.542	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)c(C)c1	408808594	QIKASTKXYDKCFH-IGVUGNCQSA-N	272.348	2.825	50	40	CFGB	
Fc1ccc(C2=NO[C@H](CBr)C2)cc1	217841900	NYQDALSJAOTJGU-VIFPVBQESA-N	258.090	2.714	50	40	CFGB	
FC(F)(F)C1(C(F)(F)F)[C@@H]2C[C@@H]3[C@@H]([C@H]2Cl)N31	100114771	KTZIHWKLLROSMN-PSEOZTEZSA-N	265.584	2.544	50	40	CFGB	
C=C(Cl)CN(NC(=O)c1ccccc1)C(C)C	1592362	WFSUDOYMCXSRIS-UHFFFAOYSA-N	252.745	2.794	50	40	CFGB	
N#C/C(=C\c1cccs1)C(=O)NCc1ccccc1	509925	UHCRPGWVHXKQNI-UKTHLTGXSA-N	268.341	2.971	50	40	CFGB	
C/C(=N\NC(=O)c1cccc(C)c1)c1ccccc1O	112498	KZKQTDSCYPLZDE-SFQUDFHCSA-N	268.316	2.855	50	40	CFGB	
CC(=O)CP(=O)(c1ccccc1)c1ccccc1	3308428	NBYWFYAQBSZFPC-UHFFFAOYSA-N	258.257	2.590	50	40	CFGB	
Cc1ccc(O)c(/C=N/NC(=O)COc2ccccc2C)c1	354669	XJLIASDUWVJMLQ-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
Cc1ccc(CNC(=O)NNC(=O)Nc2ccccc2)cc1	12778733	NMEGZPPPJUNTOD-UHFFFAOYSA-N	298.346	2.531	50	40	CFGB	
Cc1ccccc1C(=O)NNC(=O)c1cc2ccccc2o1	5824623	DVRUOUHPFVMODN-UHFFFAOYSA-N	294.310	2.816	50	40	CFGB	
Cc1c(/C=N/NC(=O)c2ccco2)c2ccccc2n1C	562615	SUKMXIAVBZVBDD-LICLKQGHSA-N	281.315	2.844	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1	487154	OAZXGQXYZZVYIY-VXLYETTFSA-N	285.322	2.696	50	40	CFGB	
COc1ccc2cc(C(=O)Cl)sc(=O)c2c1OC	2554155	LRKZYFRCWHPHPY-UHFFFAOYSA-N	284.720	2.658	50	40	CFGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1	12576582	TXUQQAKHIBBCNP-NTEUORMPSA-N	289.316	2.810	50	40	CFGB	
COc1ccc(N(CC(F)(F)F)C(=O)CCl)cc1	8037264	LDPNNVPYMSXJQV-UHFFFAOYSA-N	281.661	2.829	50	40	CFGB	
O=C(CCl)N1CCS[C@H]1c1ccccc1F	4218708	HRCDRXQTRIPZOO-NSHDSACASA-N	259.733	2.639	50	40	CFGB	
N#C/C(=C/c1cccc(O)c1)C(=O)c1ccc2c(c1)OCO2	44028774	HNMIGGVKQIQZTC-MLPAPPSSSA-N	293.278	2.911	50	40	CFGB	
COC1=C/C(=C(\C#N)c2ccccc2)C=C/C1=N\O	16951615	YBKTXKZDUUDTKN-MIFVOYFBSA-N	252.273	2.894	50	40	CFGB	
CC1(C)[C@H]2CC[C@]1(CI)C(=O)C2	4228138	KQYSDWDPNRZEJA-XVKPBYJWSA-N	278.133	2.817	50	40	CFGB	
COc1c(Cl)cc(-c2ccccc2)cc1C(=O)NN	57339908	STINCBBOPAIWQL-UHFFFAOYSA-N	276.723	2.619	50	40	CFGB	
COc1ccc2c(c1)CCC1=C2CC[C@@]2(C)C(=O)OC(=O)[C@@H]12	104144556	BPDWLNHGMNZBGQ-CRAIPNDOSA-N	298.338	2.895	50	40	CFGB	
O=C1C[C@]2(C[C@@H](Cl)N=N2)C(=O)N1c1cccc(Cl)c1	4498633	QYSOCVAWJAGDBL-JOYOIKCWSA-N	298.129	2.763	50	40	CFGB	
CN(C)c1ccc(-n2cccc2C=C(C#N)C#N)cc1	408954212	RXJSDSPSAQDJFN-UHFFFAOYSA-N	262.316	2.974	50	40	CFGB	
N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1cccc(F)c1	409391490	IGWSVRUZNRBOJN-ZSOIEALJSA-N	296.301	2.754	50	40	CFGB	
COc1ccc(N(CC2CC2)C(=O)CCl)cc1OC	199758000	UUYYTNOZPQUDGW-UHFFFAOYSA-N	283.755	2.686	50	40	CFGB	
CCOc1cc(/C=C(/C#N)C(N)=S)cc(Cl)c1O	408543380	ONWOEIFNVDLXTH-BAQGIRSFSA-N	282.752	2.637	50	40	CFGB	
O=c1[nH]c(CCl)nc2c1[C@H]1CCCC[C@@H]1S2	71981133	YNHOYFMCCWIJNK-BQBZGAKWSA-N	256.758	2.641	50	40	CFGB	
COc1ccc(-c2nnc(NC(=O)[C@@H](C)Cl)s2)cc1	39765697	ODZAJSOGZIJIPC-SSDOTTSWSA-N	297.767	2.780	50	40	CFGB	
C#CCn1cc(/C=C(\C#N)C(=O)NC(C)C)c2ccccc21	303622	XDBOFZPWAWHMOM-GXDHUFHOSA-N	291.354	2.706	50	40	CFGB	
COC(=O)C1=C(C)NC(C)=C(C#N)[C@H]1c1cccs1	23203353	LEXMACZSDOSGEC-ZDUSSCGKSA-N	274.345	2.679	50	40	CFGB	
Cc1nc2ccccc2nc1C(=O)CBr	2546227	MPPWMEYERKALCY-UHFFFAOYSA-N	265.110	2.516	50	40	CFGB	
CCc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1	3340195	XDNZCEWAQBWUTN-GZTJUZNOSA-N	268.316	2.719	50	40	CFGB	
O=C(N/N=C/c1ccccc1F)Nc1ccccc1	8111184	KJGOSZYFUHCJNM-MHWRWJLKSA-N	257.268	2.981	50	40	CFGB	
CC/C(C)=N\NC(=O)c1ccc(Br)cc1	13602004	ONLKGQTWPCSLLZ-JYRVWZFOSA-N	269.142	2.965	50	40	CFGB	
O=C(O)/C=C/c1ccc(N(CCF)CCCl)cc1	1736778	NEHQIFYEZKEVMS-ZZXKWVIFSA-N	271.719	2.799	50	40	CFGB	
Nc1ccc(C(=O)N/N=C/c2c(F)cccc2Cl)cc1	3085658	ABGMDKXZUJXLDO-QGMBQPNBSA-N	291.713	2.825	50	40	CFGB	
CCC1=NN(c2ccccc2)C(=O)[C@@H]1Br	100988417	BUOMSISPMUDDPY-SNVBAGLBSA-N	267.126	2.563	50	40	CFGB	
Cc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])c(C)c1	12622222	GNQNQSCTEVJAQL-UHFFFAOYSA-N	285.303	2.969	50	40	CFGB	
C/C(=N/NC(=O)Cc1cccs1)c1ccc(F)cc1	5024451	ARMDFFLBOFFJGZ-YBEGLDIGSA-N	276.336	2.970	50	40	CFGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(F)cc2)c1	58886	BDQQZOVWEOQZME-VXLYETTFSA-N	285.322	2.696	50	40	CFGB	
O=S(=O)(OCCCl)c1ccc(Cl)c(Cl)c1	1724576	MPIPDBAJZFPTNT-UHFFFAOYSA-N	289.567	2.938	50	40	CFGB	
Cc1ccc(C)c(-n2nc(C)cc2NC(=O)CCl)c1	12505040	MNBCVDAGUBSWBG-UHFFFAOYSA-N	277.755	2.975	50	40	CFGB	
Cc1ccc(Cl)cc1N1CCN(C(=O)CCl)CC1	5614596	BMXOSIYZHNHTFW-UHFFFAOYSA-N	287.190	2.536	50	40	CFGB	
COc1ccc(CN2C[C@]2(C)CBr)cc1	198393868	GWZBGTBZXJLPDO-NBFOIZRFSA-N	270.170	2.664	50	40	CFGB	
CC(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C(C=O)[C@H](C=O)[C@]21C	2048392554	UKUFQFBUGIRQJW-LJIGWXMPSA-N	292.375	2.705	50	40	CFGB	biogenic
CC[C@@H](Cl)C(=O)c1ccc(N2CCOCC2)cc1	575358639	KFNWAHSZYABNGA-CYBMUJFWSA-N	267.756	2.723	50	40	CFGB	
N#C[C@H]1c2ccccc2C=CN1C(=O)CCBr	1735870	OFIKVVUUYOUPJS-LBPRGKRZSA-N	291.148	2.849	50	40	CFGB	
O=c1cc(-c2ccc(Br)cc2)nc(CCl)[nH]1	72207469	YDOIXEDONXALPD-UHFFFAOYSA-N	299.555	2.938	50	40	CFGB	
N#CC=C1CCN(C(=O)OCc2ccccc2)CC1	72137451	FTVWOQKTVKETOR-UHFFFAOYSA-N	256.305	2.869	50	40	CFGB	in-vitro
CCN(CC)c1ccc2c3c(cccc13)C(=O)OC2=O	105623407	QETRLTQRIKLOHW-UHFFFAOYSA-N	269.300	2.997	50	40	CFGB	
CC1(CC(=O)NN=C2CCC(C(C)(C)C)CC2)OCCO1	268272	VFJOAKKBSRPWNG-UHFFFAOYSA-N	296.411	2.848	50	40	CFGB	
CC(=O)N/N=C/c1cccn1-c1ccc(Cl)cc1	59247800	MSZPIARLBYWYTQ-OQLLNIDSSA-N	261.712	2.601	50	40	CFGB	
C/C(N)=C(\C#N)C(=O)COc1ccc(Cl)c(Cl)c1	105802324	UWUUCYCLZPNPLW-CLFYSBASSA-N	285.130	2.698	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cc1	3555146	CHOWHJLTPHEBKN-UHFFFAOYSA-N	294.310	2.816	50	40	CFGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccccn1	408862460	ZBJJBQOUYIYYDE-FHXOWUIVSA-N	299.399	2.854	50	40	CFGB	
C[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)C[C@@H](C)O1	72314601	NVUIYDNSZGBFNH-ATHKEBROSA-N	260.312	2.799	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)cc1C	408808437	IUKKJKQRXYSVTM-ZMTLZGASSA-N	272.348	2.825	50	40	CFGB	
CCOc1ccccc1/C=N\NC(=O)c1cccc(OC)c1	35343326	VPJFQWBYSVSNEE-PDGQHHTCSA-N	298.342	2.858	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccccc1OC	40866077	OKNKVGJOQHPTIF-VSXLWIIGSA-N	258.321	2.517	50	40	CFGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccccc1O	245226607	GNLXYQYPXVSRCD-YFKVMKKCSA-N	272.348	2.669	50	40	CFGB	
Cc1cc(Cl)cc(/C=N/NC(=O)c2ccncc2)c1O	569113	QHCSMWXIOHKKGW-CAOOACKPSA-N	289.722	2.513	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC)c(OCC)c1	2043119	PHTJWFOOOINUNC-UKTHLTGXSA-N	289.331	2.954	50	40	CFGB	
CCOC(=O)COc1ccc(SC#N)cc1C	1542984504	KMZNZPFOXCUZNK-UHFFFAOYSA-N	251.307	2.510	50	40	CFGB	
O=C1ON=C(CCl)/C1=C/c1cccc(Cl)c1	44804592	UBAKEJDMUKYLOT-UITAMQMPSA-N	256.088	2.875	50	40	CFGB	in-vitro
CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)CSC#N)C2	100092930	IXEVGHXRXDBAOB-CWSCBRNRSA-N	253.367	2.959	50	40	CFGB	in-vitro
N#CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1	3193525	QUNBGVFFWDDQJR-NTCAYCPXSA-N	266.344	2.974	50	40	CFGB	
N#CSCC(=O)c1sccc1Br	8730089	ZEGPVRABJZKIRO-UHFFFAOYSA-N	262.153	2.908	50	40	CFGB	
CCNC(=O)/C(C#N)=C/c1c(C)n(C)c2ccccc12	408808152	DVSIRCNMCASYFN-FMIVXFBMSA-N	267.332	2.530	50	40	CFGB	
COc1ccc(CC[C@@]2(C)OC[C@H](CCl)O2)cc1	1677871	ZSAZCHBDTHJWNU-KBPBESRZSA-N	270.756	2.998	50	40	CFGB	
C[C@H](Br)c1nc2ccccc2cc1C(N)=O	1716428	KTWPCQIHKVDDLR-ZETCQYMHSA-N	279.137	2.790	50	40	CFGB	
O=C(N/N=C\c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1	4963368	UAYCQKYHXREZLT-AUWJEWJLSA-N	293.666	2.605	50	40	CFGB	
C[C@H]1[C@@H]2C[C@H]([C@H](Br)C23OCCO3)C1(C)C	101052571	MBWIJPYDHZDSFW-QEYWKRMJSA-N	275.186	2.805	50	40	CFGB	
C[C@@H](Br)c1nc2ccccc2cc1C(N)=O	8627923	KTWPCQIHKVDDLR-SSDOTTSWSA-N	279.137	2.790	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1	2743186	LKRNVHGNBHVQHS-NTEUORMPSA-N	266.300	2.811	50	40	CFGB	
CN(C)c1ccc(C(=O)N/N=C2/C[C@@H]3CC[C@@H]2C3)cc1	102403481	WSPOVTPLKHUSIO-CPQALAHRSA-N	271.364	2.658	50	40	CFGB	
C[C@@H]1CN(/C=C/C=O)[C@H](C)C[C@H]1OC(=O)c1ccccc1	3900206	AMWSLZCCVAAWRN-QGDIRPMESA-N	287.359	2.655	50	40	CFGB	
CCC(=O)NNC(=S)Nc1cc(Cl)cc(Cl)c1	6396328	FTHDAAQIKWLKMW-UHFFFAOYSA-N	292.191	2.721	50	40	CFGB	
C[C@H](Cl)C(=O)Nc1ccc2c(c1)OC(F)(F)O2	19803680	HEJRVSZXCMJVSZ-YFKPBYRVSA-N	263.627	2.574	50	40	CFGB	in-vitro
CCOc1ccccc1/C=N\NC(=O)c1ccc(F)cc1	30822072	IEYTWGSBUZBLPK-WQRHYEAKSA-N	286.306	2.988	50	40	CFGB	
C[C@@H](Cl)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	54815	QRJGJOUSXBFSAF-ILFKPUCNSA-N	269.684	2.779	50	40	CFGB	biogenic,in-vitro
O=C(N/N=C/C1=CCCCC1)c1ccc([N+](=O)[O-])cc1	11613911	YWYWCAVWHPAHFF-XNTDXEJSSA-N	273.292	2.811	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2)cc1	5370315	PPRUFMPOMMALAU-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
CN(C)c1ccc(/C=C\C=N/NC(=O)c2ccncc2)cc1	5328443	XDGSNRUKXMMGFE-IZOIPUOYSA-N	294.358	2.577	50	40	CFGB	
C[C@]12CC[C@H](C[C@@H]1O)[C@@]2(C)CI	4228157	MBRHUYLTVIYBIZ-XFWSIPNHSA-N	280.149	2.609	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)Cc2ccccc2)s1	524532	MOJMQLVKVUZDTQ-XNTDXEJSSA-N	258.346	2.749	50	40	CFGB	
O=C(N/N=C/C(Br)=C\c1ccccc1)C1CC1	33408354	HMOTYVUWCHRUBV-NVXXTVOZSA-N	293.164	2.934	50	40	CFGB	
CCCC/C(C)=N\NC(=O)Cc1ccc(OC)c(OC)c1	59515911	PSTPSNCPYYRXSV-ATVHPVEESA-N	292.379	2.929	50	40	CFGB	
COc1ccc(C(=O)N/N=C/[C@@H]2CC=CCC2)cc1OC	5444378	MJTJQLYBJSPXOF-PBSOMRJOSA-N	288.347	2.776	50	40	CFGB	
C/C(=N\NC(=O)Cc1cccnc1)c1ccc(Cl)cc1	5605646	BHKBVNYMSIICCH-WOJGMQOQSA-N	287.750	2.818	50	40	CFGB	
CCC(=O)N(C)N(C)C(=O)Cc1cccc2ccccc12	18193507	OYPUPWYGHQXVMK-UHFFFAOYSA-N	284.359	2.624	50	40	CFGB	
Cc1nc(=O)c(-c2ccccc2)c(C)n1CCCl	499694	YUSMHFCLSSJFBX-UHFFFAOYSA-N	262.740	2.766	50	40	CFGB	
COc1ccc(C(=O)N/N=C2\C[C@H]3CC[C@H]2C3)cc1OC	104045099	VYBBBOSWYNVACK-HMILLTCMSA-N	288.347	2.610	50	40	CFGB	
CC(C)(C#CC(=O)O)OOC(C)(C)c1ccccc1	1829413	ZSCNIKTWPQECCZ-UHFFFAOYSA-N	262.305	2.737	50	40	CFGB	
CCC(/C=N/NC(=O)COc1ccc(OC)cc1)CC	8182522	VNSMLQZUZNEMNS-MHWRWJLKSA-N	278.352	2.612	50	40	CFGB	
CCn1c(C)cc(/C=N/NC(=O)c2cccc(OC)c2)c1C	409097586	MRLBUBSBAJUIDM-WOJGMQOQSA-N	299.374	2.897	50	40	CFGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-]	44264264	DQWIASBLRHEQFI-CABCVRRESA-N	297.314	2.521	50	40	CFGB	
O=C(NNC(=O)c1cccs1)c1cc2ccccc2o1	5272702	HOGDQTWBORTDPG-UHFFFAOYSA-N	286.312	2.569	50	40	CFGB	
C=CCN[P@](=O)(CCl)N(CCCl)CCCl	5426628	OEJWBBWIJDAREG-OAHLLOKOSA-N	293.562	2.931	50	40	CFGB	
CO[C@@H](C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1	59445077	DJWFFJSEBLMZJT-CLXYIWAZSA-N	286.306	2.664	50	40	CFGB	
COCCCNC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12	23382648	UXIDQLRYFHIQTP-JLHYYAGUSA-N	297.358	2.536	50	40	CFGB	
O=C1ON=C(CCl)/C1=C\c1ccccc1Cl	34926701	HCDQMGBXFFZWHX-VMPITWQZSA-N	256.088	2.875	50	40	CFGB	
CC(C)Oc1ccccc1NC(=O)CBr	35605175	XZKPWOUOBLAIGS-UHFFFAOYSA-N	272.142	2.807	50	40	CFGB	
COC(=O)c1nc(C(F)(F)F)ccc1CBr	95763612	YCIHOCQWXUIXSJ-UHFFFAOYSA-N	298.058	2.782	50	40	CFGB	
C#CCOc1ccc(/C=C/C#N)cc1Br	6021217	UJQSRLFBZUYHFD-ONEGZZNKSA-N	262.106	2.998	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc(O)cc2)c(C)c1	3388865	CUJJLKZVGDXOEY-LICLKQGHSA-N	268.316	2.773	50	40	CFGB	
CCCCCCCOc1ccc(C(=O)NN)cc1	100013734	RAMJHOQWSUOJHC-UHFFFAOYSA-N	250.342	2.639	50	40	CFGB	
COc1ccccc1C(=O)N/N=C/c1cccs1	237294	LYJKQVBFCYOQTQ-NTEUORMPSA-N	260.318	2.521	50	40	CFGB	
O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1ccccc1	354828	OXBADCWFAIHBRT-XDHOZWIPSA-N	290.326	2.841	50	40	CFGB	
C[C@]12CC[C@@H](CC1=O)[C@@]2(C)CI	100746548	FOPVQQUAABFQPF-UJNFCWOMSA-N	278.133	2.817	50	40	CFGB	
Cc1cc(C(=O)NN)c(C)n1-c1ccc2ccccc2c1	223717576	MUCONGYZQFPSTK-UHFFFAOYSA-N	279.343	2.851	50	40	CFGB	
C[C@@H]1CC(C)(C)N([C@H](C)C(=O)NN)c2cc(Cl)ccc21	260725444	WLTBIEFSLSHBTB-NXEZZACHSA-N	295.814	2.811	50	40	CFGB	
O=C(CCl)NCc1ccc(F)cc1C(F)(F)F	62146650	HRGWDZDMRIGQLM-UHFFFAOYSA-N	269.625	2.700	50	40	CFGB	in-vitro
C=CCSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1	9110900	ZQMMDNKNXIHOKE-GFCCVEGCSA-N	270.357	2.944	50	40	CFGB	
CCC(/C=N/NC(=O)CNc1ccc(F)cc1)CC	7977801	NFYDJFKWGGEYSK-RQZCQDPDSA-N	265.332	2.776	50	40	CFGB	
COCCOC(=O)/C(C#N)=C/c1cccn1-c1ccccc1	4106931	AUJZQTXYMOPGKU-WYMLVPIESA-N	296.326	2.574	50	40	CFGB	
O=C(Cl)Cc1cc(F)ccc1Br	35244831	HIZAEOHIBQFTNN-UHFFFAOYSA-N	251.482	2.896	50	40	CFGB	
CC(C)=NNC(=O)CCSc1ccc(C)cc1	409135105	PVDQKCNAWJOFET-UHFFFAOYSA-N	250.367	2.989	50	40	CFGB	
Cc1c(Cl)cccc1-c1ccc(C(=O)NN)o1	216737676	AKLOIBHKDMQERQ-UHFFFAOYSA-N	250.685	2.512	50	40	CFGB	
Cc1ccc(-c2ccc(CCC(=O)NN)o2)cc1Cl	216924154	KIDPGNFINCQMJA-UHFFFAOYSA-N	278.739	2.831	50	40	CFGB	
C[C@@H]1CC[C@@H]2c3c(nc(CCl)[nH]c3=O)S[C@@H]2C1	71981126	WVSFLXFOASPUSP-GJMOJQLCSA-N	270.785	2.887	50	40	CFGB	
OC[C@H](Br)[C@H](Br)c1ccccc1	140339951	QBFQIVMHGSMOJV-DTWKUNHWSA-N	293.986	2.878	50	40	CFGB	
C[C@@H]1[C@H]2C[C@@H]([C@H](Br)C23OCCO3)C1(C)C	254877018	MBWIJPYDHZDSFW-IMSYWVGJSA-N	275.186	2.805	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2O)cn1	12362762	WFJCOIYOWKRVAX-IUXPMGMMSA-N	289.722	2.513	50	40	CFGB	
COc1cccc(C(=O)N/N=C(\C)c2ccccc2)c1	5381968	WESXYVHXEJNRNU-SFQUDFHCSA-N	268.316	2.849	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/C=C/c2ccco2)cc1	2899996	QFCUXOWHNHMWCN-MLBXATLCSA-N	283.331	2.815	50	40	CFGB	
COc1ccccc1OCC(=O)NN=C1CCCCCC1	8182345	CUSONRXYYWJSOZ-UHFFFAOYSA-N	290.363	2.900	50	40	CFGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccncc1	8571110	QFBCEMZQSVUCTN-VCHYOVAHSA-N	299.399	2.774	50	40	CFGB	
CCCC[C@@H](CC)C(=O)NNC(=O)c1ccccc1C	1750024	GYUFGKPPKWWRPH-CYBMUJFWSA-N	276.380	2.972	50	40	CFGB	
O=C(CCl)N1CCS[C@@H]1c1ccccc1F	4218707	HRCDRXQTRIPZOO-LLVKDONJSA-N	259.733	2.639	50	40	CFGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)NC1CC1	7163937	ZTUGZNLJZPKVEG-SOFGYWHQSA-N	264.687	2.665	50	40	CFGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccccc1	130906	LUWJXRRTYLHWAO-RIYZIHGNSA-N	293.120	2.806	50	40	CFGB	
C[C@@H]1CCCC/C1=N/NC(=O)c1cccc([N+](=O)[O-])c1	101036593	UUSCUPNYERVZJQ-QMLLPTRZSA-N	275.308	2.891	50	40	CFGB	
CCCCOc1ccc(N2C(=O)C[C@H](Cl)C2=O)cc1	100103763	QVBBOJSXNIAAIY-LBPRGKRZSA-N	281.739	2.736	50	40	CFGB	
COc1ccc([C@@H]2CCCN2C(=O)CCl)c(OC)c1	58033183	AGZLUWLUUKHWEC-LBPRGKRZSA-N	283.755	2.606	50	40	CFGB	in-vitro
O=[P@@H](O)CCP(c1ccccc1)c1ccccc1	2329707	GHNIKDVUTBQUAL-UHFFFAOYSA-N	278.228	2.586	50	40	CFGB	
C[C@@H]1CCCC/C1=N\NC(=O)COc1ccc(C#N)cc1	5164442	RTPBXWJXYHPSHS-JIUKNFRESA-N	285.347	2.619	50	40	CFGB	
COC(=O)/C=C/c1ccc(OCCBr)cc1	95829652	AHJLWGDEBQDQCV-QPJJXVBHSA-N	285.137	2.647	50	40	CFGB	
CCOc1ccc(CBr)cc1C(=O)OC	308882482	PCVDKZNHVRHJAE-UHFFFAOYSA-N	273.126	2.767	50	40	CFGB	
Cn1cccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	563922	XUDBRPFMUFPZLZ-PKNBQFBNSA-N	269.279	2.710	50	40	CFGB	
O=C(CCl)Nc1ccc(F)cc1Br	12336824	AJEHASUZJSSWCE-UHFFFAOYSA-N	266.497	2.766	50	40	CFGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccco1	12362650	FEYFSMCTSKOJSE-GZTJUZNOSA-N	294.314	2.824	50	40	CFGB	
CC/C(=N\NC(N)=O)[C@@H]1C[C@@]2(C)CC[C@H]1C2(C)C	103212550	XOEPTCGYDLHANO-CFQPTBDRSA-N	251.374	2.883	50	40	CFGB	
CCCCCC(=O)N/N=C(\C)c1ccc2c(c1)OCO2	5458852	CDZRZRVGLIGNBN-LFIBNONCSA-N	276.336	2.836	50	40	CFGB	
Cc1ccc(C=NNC(=O)c2sc(N)c(C#N)c2C)cc1	408729034	BYEPDFOKLNIHEM-UHFFFAOYSA-N	298.371	2.583	50	40	CFGB	
C/C(=N/NC(=O)COc1ccccc1C)c1ccc(C)o1	33619688	POVCXFIOPWJSNL-LGMDPLHJSA-N	286.331	2.816	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)c1ccccc1F	225629784	GTHHRFQFFPRILT-ZUBUPENXSA-N	258.296	2.754	50	40	CFGB	
O=C(Cl)c1ccc(C(F)(F)Br)nc1	1848350340	VCMIKCJIUYCKBB-UHFFFAOYSA-N	270.460	2.905	50	40	CFGB	
N#CS[C@H](Cc1ccccc1)C(=O)OCCCl	2973775	NLZISJLALPMLDA-LLVKDONJSA-N	269.753	2.594	50	40	CFGB	
COc1ccc(/C(C)=C(\C#N)C(=O)OC(C)C)cc1OC	370168	YXPDFLOVZKUUFW-ACCUITESSA-N	289.331	2.952	50	40	CFGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccco1	20249012	LECNLLVYJGKOCH-KBVGCWLLSA-N	274.345	2.911	50	40	CFGB	
N#C/C(=C/c1ccsc1)C(=O)Nc1ccccc1C(=O)O	96669637	SHSCLIKTIHNPAX-XFFZJAGNSA-N	298.323	2.992	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cccc(OC)c1OC	408815233	PRVKETJFRXEQPV-GJSJWPQCSA-N	288.347	2.525	50	40	CFGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(N)=O	409076825	BYTILGLPWUSYOJ-NTMALXAHSA-N	270.313	2.823	50	40	CFGB	
NNC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12	11920056	RUCJNKYYKWBAJC-UHFFFAOYSA-N	299.761	2.947	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(O)cc2)cc1	16045122	MINVANJRQWMLPD-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
Cc1ccc(N/N=C2\C(=O)OC(=O)c3ccccc32)cc1	100025440	PDGWOEBPJVPKHR-JXAWBTAJSA-N	280.283	2.508	50	40	CFGB	
COc1ccc(/C=C/C(C)=N/NC(=O)c2ccncc2)cc1	8616785	TUSBBRJQHKILME-KSKJDCMYSA-N	295.342	2.909	50	40	CFGB	
Cc1cccc(C)c1C[C@H](Br)C(=O)O	107843357	XGBYIOKPGOMEDN-JTQLQIEISA-N	257.127	2.694	50	40	CFGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)[C@H](O)c1ccccc1	6241939	FUVOFRXMGADVHI-MKNZINHZSA-N	298.386	2.648	50	40	CFGB	
COc1ccccc1N/C=C(\C#N)C(=O)NC1CCCCC1	5021753	YOOMMVRKBNRDGZ-OUKQBFOZSA-N	299.374	2.963	50	40	CFGB	
CN(C)c1ccc(C(=O)N/N=C/c2ccsc2)cc1	4045910	WUCOOODOVWVVGA-OQLLNIDSSA-N	273.361	2.578	50	40	CFGB	
N#C/C(=C\c1ccc(Cl)cc1)C1=NC(=O)CS1	34200071	VTMWYOZEBYWNLM-WEVVVXLNSA-N	262.721	2.919	50	40	CFGB	
COc1cc(C[C@H](C)Br)cc2c1OCO2	14987782	KTIRBVQBSQHJBY-ZETCQYMHSA-N	273.126	2.750	50	40	CFGB	
CCO/C(C)=N\NC(=O)c1ccc(C(F)(F)F)cc1	100911101	GPERAPHAUXRALL-PXNMLYILSA-N	274.242	2.805	50	40	CFGB	
NNC(=O)c1ccc(CSc2nc3ccccc3o2)cc1	3885857	GIIMLPHBHLFTQZ-UHFFFAOYSA-N	299.355	2.724	50	40	CFGB	
CS(=O)(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	9497996	OUKHGHNIFLFFPS-VMPITWQZSA-N	276.144	2.902	50	40	CFGB	
CCOc1ccc(/C=N\NC(=O)c2cccc(OC)c2)cc1	38203584	IARLOUQDSFNHON-PDGQHHTCSA-N	298.342	2.858	50	40	CFGB	
O=C(N/N=C/c1cccnc1)c1cc2ccccc2o1	548735	RZXPNOSCWJYQCV-LICLKQGHSA-N	265.272	2.592	50	40	CFGB	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(F)cc1	485231	VWKVHGPMKBAFTJ-UHFFFAOYSA-N	292.697	2.554	50	40	CFGB	
Cc1cccc(NC(=O)NNC(=O)OC(C)(C)C)c1C	95466988	MQNSOBIBANKGEO-UHFFFAOYSA-N	279.340	2.865	50	40	CFGB	
COC(=O)C=C(C(Cl)Cl)C(Cl)Cl	72399688	SDAXPQBGRAUIBB-UHFFFAOYSA-N	251.924	2.693	50	40	CFGB	in-vitro
Cc1ccc(OCC(=O)N/N=C\c2ccccc2)cc1	31776079	KHDATCNPSPZWJF-BOPFTXTBSA-N	268.316	2.524	50	40	CFGB	
CC(C)(C)OC(=O)NC12CC(CBr)(C1)C2	616582333	MODSMOOZXDCUKD-UHFFFAOYSA-N	276.174	2.829	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(C)cc2O)cc1	354666	IJURWNTYCRVSDJ-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
O=C(Cc1cccs1)N/N=C\c1ccccc1F	16712334	AOAROABYRQKTJU-DHDCSXOGSA-N	262.309	2.580	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C2\C[C@@H]3C=CC[C@H]23)c1	8182634	QYTSNTXESMKIDG-MVYAWKFMSA-N	284.359	2.750	50	40	CFGB	
C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccccc1	5070959	WNQLRZWDZAJYDH-XDHOZWIPSA-N	292.342	2.797	50	40	CFGB	
CCC(=O)NNC(=S)Nc1ccc([C@@H](C)CC)cc1	6394325	ZBWHYDNWOVZDNC-JTQLQIEISA-N	279.409	2.928	50	40	CFGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OC)cc2)cc1	409361213	AXEBAVVVBKZTAB-UYRXBGFRSA-N	296.370	2.950	50	40	CFGB	
O=C(N/N=C\c1ccc(O)cc1O)c1cc2ccccc2o1	83330607	HGHWTZCPQBQKAY-MFOYZWKCSA-N	296.282	2.608	50	40	CFGB	
O=C(CBr)c1cccc(OCC(F)F)c1	169795963	YTESSXPNKUBVCH-UHFFFAOYSA-N	279.080	2.908	50	40	CFGB	
COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1	4502010	LATOOWQXQBASQV-RAXLEYEMSA-N	270.332	2.661	50	40	CFGB	
CC[C@@H](Cl)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12	4027582	RMBGDEJIZNNLOF-YNEHKIRRSA-N	273.804	2.812	50	40	CFGB	biogenic
COC(=O)N/N=C(\C)c1ccccc1Br	4921931	JGDOBPSYXCEEIZ-KPKJPENVSA-N	271.114	2.529	50	40	CFGB	
N#C/C(=C/c1ccccc1Cl)C(=O)NCc1cccnc1	16790520	PCNSCYNEKDWLTM-ZSOIEALJSA-N	297.745	2.958	50	40	CFGB	
CN(C)c1c(Cl)cc(C(=O)Cl)cc1[N+](=O)[O-]	70462211	PQGPJHZOBBYEMZ-UHFFFAOYSA-N	263.080	2.693	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C\c1ccc(F)cc1	33329299	KJUUQJVCLRNXCW-BOPFTXTBSA-N	256.280	2.519	50	40	CFGB	
CC(C)Cn1c(CCc2ccccc2)ccc1C(=O)NN	226028425	XCGOAZWCXLDDSK-UHFFFAOYSA-N	285.391	2.533	50	40	CFGB	
Cc1ccc(/C=C/C(=O)N/N=C/c2ccc(O)cc2)cc1	409060531	UEJIAQMMPBKMPV-BUJDNCMTSA-N	280.327	2.864	50	40	CFGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(C)ccc2O)c1	59972	AMNMHBPJBVOVTN-VXLYETTFSA-N	297.358	2.571	50	40	CFGB	
C/C(=N\NC(=O)CNc1ccc(C)cc1C)C1CC1	68815	JOFWLFHCNJMLOF-SFQUDFHCSA-N	259.353	2.617	50	40	CFGB	
COc1ccc(C(=O)O)cc1[C@@]1(O)CCCC[C@H]1Cl	1632986	WSIZHAAZWUJWDU-OCCSQVGLSA-N	284.739	2.762	50	40	CFGB	
C/C(=N\NC(=O)CC#N)c1ccc(C(C)(C)C)cc1	408720249	WSCFEYZCADIOPI-GZTJUZNOSA-N	257.337	2.738	50	40	CFGB	
C/C(=N/NC(=O)c1cc(C(C)C)n[nH]1)c1ccc(F)cc1	4980462	QVAMDMPEPWAWON-YVLHZVERSA-N	288.326	2.826	50	40	CFGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC	4814076	NDSOVRDQPBCAOK-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
CC(F)(F)OC[C@H](Br)C(F)(F)F	1083807965	LFXONBNZLKFUQK-VKHMYHEASA-N	256.996	2.942	50	40	CFGB	
C/C(=N\NC(=O)c1ccoc1C)c1cccc([N+](=O)[O-])c1	580962	SXAIVEHLTGVYLN-OQLLNIDSSA-N	287.275	2.650	50	40	CFGB	
CCOC(=O)c1sc(NC2CC2)nc1CCl	12357377	HFGDAXPURAHLJQ-UHFFFAOYSA-N	260.746	2.633	50	40	CFGB	
C[C@@H](Br)[C@H](Br)CBr	2579094	HKTNRDJXZCCMGH-QWWZWVQMSA-N	294.812	2.928	50	40	CFGB	
C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(C)s1	370050	NEMISYKSYVIULI-DSQDWWTGSA-N	288.372	2.630	50	40	CFGB	
COc1ccccc1C(=O)N/N=C1\C[C@H]2CC[C@H]1C2	104041364	NXUNHWFVYPSFBF-LYQCPJKTSA-N	258.321	2.601	50	40	CFGB	
C[C@@H]1C[C@H]1c1ccc(/C=N/NC(=O)c2cccnc2)o1	8263495	LOYOEURRCWKGOQ-HYOTWNCRSA-N	269.304	2.562	50	40	CFGB	
C[C@@H](Cl)C(=O)Nc1cc(C(=O)O)ccc1Cl	74941408	TWBOEBJBDVIDBP-RXMQYKEDSA-N	262.092	2.604	50	40	CFGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2O)cc1	6212606	QQPCECGXDNRMEQ-MDWZMJQESA-N	294.310	2.952	50	40	CFGB	
CCCCCCCC[S@@](=O)C[C@@H](O)CCl	100243485	DOGDGSIXWAWHNZ-NHYWBVRUSA-N	254.823	2.695	50	40	CFGB	
C[C@@H](CC1C(C#N)=C(N)SC(N)=C1C#N)c1ccccc1	278402	YRAABLMQIMFEJO-JTQLQIEISA-N	296.399	2.931	50	40	CFGB	
COc1ccc2c(c1)CCC1=C2CC[C@H]2C(=O)OC(=O)[C@@]12C	103891324	GMONDBYKIPBMHG-YJBOKZPZSA-N	298.338	2.895	50	40	CFGB	
Cn1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cn1	24365919	XXARBPSHIZIQAB-ONNFQVAWSA-N	278.237	2.898	50	40	CFGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)NNc1ccccc1)CC2=O	100748966	BOYHLQNNYGPZKO-IAGOWNOFSA-N	286.375	2.915	50	40	CFGB	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1	3247904	PQAYRCMWIJHUIB-GXDHUFHOSA-N	296.326	2.902	50	40	CFGB	
CC(C)[C@@H](Br)C(=O)NCc1ccccc1	9646672	UVDSXPGCKZKVMG-LLVKDONJSA-N	270.170	2.722	50	40	CFGB	
CCCCNC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1	96663429	VOFMCEXMWOSENQ-ZROIWOOFSA-N	272.348	2.832	50	40	CFGB	
COc1ccc(CC(=O)N/N=C(\C)C(C)(C)C)cc1OC	408791160	UYMUJYBGTIEVTJ-GZTJUZNOSA-N	292.379	2.785	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1	213142688	SDKQRIAFVFWLMV-JXMROGBWSA-N	267.231	2.758	50	40	CFGB	
Cc1ccc(F)cc1NC(=O)c1cnn(CCCl)c1	74166743	HYHDGTUVJNYHQC-UHFFFAOYSA-N	281.718	2.822	50	40	CFGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1	66787	QYSIPVATUUSMKJ-INIZCTEOSA-N	294.310	2.619	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2cccs2)c(Cl)c1	569158	HAFCZDNBTMTSJE-UHFFFAOYSA-N	294.763	2.785	50	40	CFGB	
NNC(=O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1	4505783	WBWDOOBDYREQEJ-UHFFFAOYSA-N	277.327	2.952	50	40	CFGB	
C=CCc1cc(/C=C(/C#N)C(N)=S)cc(OC)c1OC	408541465	BBAQJRCIIOMDMG-GHXNOFRVSA-N	288.372	2.625	50	40	CFGB	
Cc1ccc(Cc2ccc(C(=O)NN)n2C(C)C)cc1	226029751	PPHCMKWZTNLYPA-UHFFFAOYSA-N	271.364	2.572	50	40	CFGB	
Cc1ccc(C23C[C@@H]4C[C@@H](CC(NC(=O)NN)(C4)C2)C3)cc1	18100358	LNBAWWJKTKKANZ-MWABVPJASA-N	299.418	2.758	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)C2CCCCC2)cc1Cl	6033837	LGUHJZYJFSKNNN-UHFFFAOYSA-N	294.782	2.990	50	40	CFGB	
FC(F)(F)N(CCBr)C(F)(F)F	59872056	FSFDGHJZNNXOFZ-UHFFFAOYSA-N	259.975	2.723	50	40	CFGB	
FC(F)(F)C(I)C(F)(F)F	80440245	KQSPFAXUTMJXCT-UHFFFAOYSA-N	277.933	2.915	50	40	CFGB	in-vitro
COc1ccccc1/C=N/NC(=O)c1ccc(C)cc1OC	408748241	APJKVYKQGCOWBM-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1	195751024	SSULBRAXGPPQPG-BOPFTXTBSA-N	297.314	2.596	50	40	CFGB	
Cc1cccc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)c1	6645990	IFZXDIZFMDVVBZ-CVEARBPZSA-N	294.354	2.560	50	40	CFGB	
CC(C)C1=C2OC(N)=C(C#N)C(C#N)=C2[C@@H](C)CC1	128250	DUIHAWBNAVFAEK-VIFPVBQESA-N	255.321	2.871	50	40	CFGB	
Br[C@H]1CC[C@H]2O[C@@H]2CC[C@H]1Br	101042963	FDVJISGFGLBDFP-ULAWRXDQSA-N	283.991	2.855	50	40	CFGB	
C[C@H](Br)C(=O)c1ccc2c(c1)CCC(=O)N2	34962681	LJJPTQNZBAIGAX-ZETCQYMHSA-N	282.137	2.537	50	40	CFGB	
O=C(CCl)N1N=C(c2ccco2)C[C@@H]1c1ccco1	4204666	OPRWTSGLXDLNBZ-SNVBAGLBSA-N	278.695	2.789	50	40	CFGB	
O=C(N/N=C\c1cccn1-c1ccccc1)c1ccncc1	30803278	PTWHJSCMJMZRKH-UYRXBGFRSA-N	290.326	2.636	50	40	CFGB	
C[C@@H]1C(=O)[C@@H](Br)[C@H]2C[C@@H](O)CC[C@@]2(C)[C@@H]1C	5014720	LIIFSZVNNQGFRU-ZTHPDXAWSA-N	289.213	2.772	50	40	CFGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	59333588	CCEKVTHDMUBVFI-UITAMQMPSA-N	269.131	2.989	50	40	CFGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CC#N	4502589	NDWIWXCJFFYTFR-SFQUDFHCSA-N	257.337	2.760	50	40	CFGB	
C/C(=N/NC(=O)c1ccc(C)s1)c1ccncc1	15933607	DIUAGXZMXOWTRE-GDNBJRDFSA-N	259.334	2.606	50	40	CFGB	
O=S1(=O)C[C@@H](Cl)[C@H](Sc2ccc(Cl)cc2)C1	71605941	NWPMWWNEXNOQGK-NXEZZACHSA-N	297.228	2.837	50	40	CFGB	
Cc1cc(-c2ccc(C(=O)NN)o2)ccc1Br	216737821	RGLVBXAWKRPCEL-UHFFFAOYSA-N	295.136	2.621	50	40	CFGB	
CCOP(=O)(OCC)C(F)(F)C(=O)Cl	2528674	ZKYUQNZVQOGWSL-UHFFFAOYSA-N	250.565	2.611	50	40	CFGB	
C[C@H](OCCCNC(=O)CCl)c1ccccc1	68583506	VDBGQVKOSQBZDX-NSHDSACASA-N	255.745	2.509	50	40	CFGB	in-vitro
C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1cccs1	13111343	YGBBADIXIZJDND-ZROIWOOFSA-N	289.316	2.810	50	40	CFGB	
N#Cc1ccc(CSCC(=O)NN=C2CCCC2)cc1	343197	HHWRCTLIGDWLRQ-UHFFFAOYSA-N	287.388	2.838	50	40	CFGB	
O=C(CBr)c1ccc(O)c(C(F)(F)F)c1	2243396	ZGNDGYJPHFCODJ-UHFFFAOYSA-N	283.043	2.989	50	40	CFGB	
c1c(SSc2cn3c(n2)CCC3)nc2n1CCC2	285513	ZQQUBNXDJSIART-UHFFFAOYSA-N	278.406	2.771	50	40	CFGB	
FC(F)(F)[C@H](Br)CBr	2584290	XFOCTDPLVDZSGA-UWTATZPHSA-N	255.859	2.707	50	40	CFGB	in-vitro
CCCCCCC/C=N\NC(=O)c1ccc[n+](C)c1	104183234	RZNJYRPEIAYANK-WJDWOHSUSA-O	262.377	2.587	50	40	CFGB	
CCN(CC)c1ccc(/C=C(/C#N)C(N)=S)cc1	12403968	YOMMFFDVFZELPA-XFXZXTDPSA-N	259.378	2.726	50	40	CFGB	
CCCc1cc(C(=O)NNC(=O)c2ccco2)sc1C	12567607	JZGYIMKFMSSUES-UHFFFAOYSA-N	292.360	2.677	50	40	CFGB	
BrCc1ccc(Br)cn1	39120773	PKCHRWPMNDRVMI-UHFFFAOYSA-N	250.921	2.739	50	40	CFGB	in-vitro
CC(C)/C=N/NC(=O)c1cc(Br)ccc1O	5177294	WUCWWGZXLBYBJJ-AWNIVKPZSA-N	285.141	2.526	50	40	CFGB	
Fc1cccc(C2=NO[C@H](CBr)C2)c1	217841681	GKPHRMJFAZFZQH-VIFPVBQESA-N	258.090	2.714	50	40	CFGB	
CCc1sc(C(=O)NNC(=O)c2cccs2)cc1C	14840374	NUKPSSRGHXDRCL-UHFFFAOYSA-N	294.401	2.755	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)o1	3093687	ZCIIYIQURJMPDZ-KDBUPRFSSA-N	260.337	2.864	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(C)cc1	5728067	DKCSTCFVHHTAFQ-JYRVWZFOSA-N	281.315	2.855	50	40	CFGB	
CC(C)(C)OC(=O)C1CC(CI)C1	616568745	BMSIGKUADQSGMK-UHFFFAOYSA-N	296.148	2.789	50	40	CFGB	
N#C/C(C(=O)Nc1ccccc1)=C1/C(=O)Nc2ccccc21	13915869	JRHWSFYJEXLTKX-SQFISAMPSA-N	289.294	2.555	50	40	CFGB	
O=C(c1ccccc1)[C@H](Cl)C(=O)C(F)(F)F	100496760	JIKVHDUUAACUNO-ZETCQYMHSA-N	250.603	2.608	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2cc(C)cc(C)c2)cc1	516586	HMZPTKZIAZSRJN-UHFFFAOYSA-N	282.343	2.687	50	40	CFGB	
Cn1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)n1	536364	ATPPASQSMOGGAP-UHFFFAOYSA-N	296.374	2.864	50	40	CFGB	
CCCC/C(C)=N/NC(=O)C(=O)Nc1ccccc1Cl	59434383	JMUSLWWXPVCNRW-LICLKQGHSA-N	295.770	2.961	50	40	CFGB	
CCCC(=O)NNC(=S)Nc1cc(Cl)ccc1C	6397375	KCSKRBUPJRVFEC-UHFFFAOYSA-N	285.800	2.766	50	40	CFGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(F)cc1	36223936	IGTCHSGWTMKHMS-ZDLGFXPLSA-N	274.270	2.658	50	40	CFGB	
CCCC[C@H](CC)COc1ccc(C(=O)NN)cc1	3848700	OGXVTPGAVQEQDC-LBPRGKRZSA-N	264.369	2.885	50	40	CFGB	biogenic
Cc1ccccc1C(=O)N/N=C/c1ccc(F)cc1	524123	BXWUFBFTAPXEQN-LICLKQGHSA-N	256.280	2.898	50	40	CFGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1	3570606	KWFCGRNBVUXLFQ-RVDMUPIBSA-N	285.391	2.964	50	40	CFGB	
C/C(=N/NC(=O)CCc1ccccc1)c1cc(O)ccc1O	20115192	SGPJVRVFSUMGLS-PDGQHHTCSA-N	298.342	2.571	50	40	CFGB	
Cc1cc(C)cc(NC(=O)CI)c1	48546047	CKQSJHDVLZFZTM-UHFFFAOYSA-N	289.116	2.677	50	40	CFGB	
CC(C)n1c(CC2CCCCC2)ccc1C(=O)NN	226024112	XTDUHLYMSDBYQW-UHFFFAOYSA-N	263.385	2.795	50	40	CFGB	
O=C(COc1ccccc1)N/N=C\C=C\c1ccccc1	12362716	BBNLLWIEIVTYBA-DQBOXZGESA-N	280.327	2.881	50	40	CFGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccco1	7157975	GMBJHAOHWSFNEG-QYSAYTBLSA-N	258.321	2.881	50	40	CFGB	
CC(=O)Nc1cc(NC(=O)CCCCl)ccc1C	40546450	RGZNHIGTGPPENN-UHFFFAOYSA-N	268.744	2.911	50	40	CFGB	
CCc1ccc(/C(C)=N/NC(=O)c2ccco2)cc1	20192060	PGYURKSOGNNFAB-LFIBNONCSA-N	256.305	2.996	50	40	CFGB	
CCc1ccc(CC(=O)N/N=C/c2ccccc2)cc1	409364295	OVUIBVNOFYGNIY-QGOAFFKASA-N	266.344	2.942	50	40	CFGB	
C[C@@H]1CC(C)(C)N([C@H](C)C(=O)NN)c2ccc(Cl)cc21	260619384	KLNBMOSPSYWYEM-NXEZZACHSA-N	295.814	2.811	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2	100335321	SETCSWXEUHFLEF-JUDDCAFASA-N	260.381	2.961	50	40	CFGB	
C[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	42037611	NTMUUBGTTLEOTM-RYUDHWBXSA-N	289.466	2.948	50	40	CFGB	
CCCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1	2335740	NXMNIEIGVVZHNL-GXDHUFHOSA-N	281.312	2.998	50	40	CFGB	
C/C(=N/NC(=O)Cc1cccs1)c1ccc(O)cc1	4902842	MATPTJXPJYJWMZ-GDNBJRDFSA-N	274.345	2.537	50	40	CFGB	
O=C(N=C=S)c1ccc(Br)cc1F	37116146	UENMSVUSPDAXOJ-UHFFFAOYSA-N	260.087	2.831	50	40	CFGB	
COc1cc2c(O)c(C#N)cnc2cc1OCCCCl	95093029	TUVSLUWYBFYQLA-UHFFFAOYSA-N	292.722	2.828	50	40	CFGB	
Nc1ccc(C(=O)N/N=C\C=C/c2ccccc2)cc1	17024607	ZEFVWVLAAHAGBG-CQNYBPIDSA-N	265.316	2.698	50	40	CFGB	
CC(C)[C@@H](Br)C(=O)N1CCc2ccccc2C1	19516529	HVJYVTAVVRRXSJ-CYBMUJFWSA-N	296.208	2.991	50	40	CFGB	in-vitro
Cc1cccc2sc(NNC(=O)c3ccco3)nc12	4121298	INTKPKHJKICSFO-UHFFFAOYSA-N	273.317	2.955	50	40	CFGB	
Cc1cc2oc(=O)cc(C)c2cc1NC(=O)CCl	501724	LCMGGQOQMSENQL-UHFFFAOYSA-N	265.696	2.587	50	40	CFGB	
CCN(CCCl)c1ccc(CCC(=O)O)cc1	1665878	SIMKXWVDNQATQF-UHFFFAOYSA-N	255.745	2.769	50	40	CFGB	
O=C(NNc1ccccc1)C(C(F)(F)F)C(F)(F)F	3157965	ACDXWSQWLMOGLX-UHFFFAOYSA-N	286.175	2.871	50	40	CFGB	
O=C(CC1CCCC1)NNC(=O)c1ccc(Cl)cc1	3560876	MMUNYULUXNWGGT-UHFFFAOYSA-N	280.755	2.681	50	40	CFGB	
CN(C(=O)/C(C#N)=C/c1ccco1)c1ccc(F)cc1	48805626	YCEATIPDOZWSNH-PKNBQFBNSA-N	270.263	2.989	50	40	CFGB	
Cc1cc(C(F)F)nn1CC(=O)N/N=C1/CCC[C@H](C)C1	6787354	GYMHUZZPQXWDCQ-MQAXGYDLSA-N	298.337	2.811	50	40	CFGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CC#N)c1C	96402149	QGYWUZSYKOLKAG-SEJMYLSOSA-N	298.390	2.840	50	40	CFGB	
CO[Si](CC/C=C/c1ccccc1)(OC)OC	196861692	SOUMBTQFYKZXPN-YRNVUSSQSA-N	252.386	2.968	50	40	CFGB	
NC(=O)N/N=C1\CCCC[C@H]1c1nccc2ccccc12	5246733	RJVXCAXXHJEMMM-DVDIPCOMSA-N	282.347	2.917	50	40	CFGB	
CCCCCCOc1ccc(/C=N/NC(N)=O)cc1	3469278	XPEIYUMOTJXQGF-LFIBNONCSA-N	263.341	2.648	50	40	CFGB	
N#C/C(=C\c1ccccc1F)C(=O)Nc1nccs1	6430387	SHFNOBITSJITJI-JXMROGBWSA-N	273.292	2.828	50	40	CFGB	
O[C@@H](CBr)c1ccnc2ccccc12	1671644	USRFYXPKXFXQNK-NSHDSACASA-N	252.111	2.663	50	40	CFGB	
O=C(N[C@H](Cl)C(=O)c1ccccc1)c1ccccc1	40541880	ZMANAHPLPILSDM-AWEZNQCLSA-N	273.719	2.864	50	40	CFGB	in-vitro
Cc1cccc(NCC(=O)N/N=C/c2ccccc2F)c1	251884	WVNFLYNXVVTYLE-VXLYETTFSA-N	285.322	2.696	50	40	CFGB	
Cc1c(/C=N/NC(=O)c2csc3ccccc23)cnn1C	372733	DUXJTALOCYFQBE-FRKPEAEDSA-N	298.371	2.707	50	40	CFGB	
C[C@@]1(Cc2ccccc2)CCCC/C1=N/NC(N)=O	104064366	DVBLNGOZMQFTGF-SUCHYCSPSA-N	259.353	2.834	50	40	CFGB	
CC(C)(C)c1cc(SC#N)c(O)c(C(=O)O)c1	57339059	BDPSHUDLFOBWAT-UHFFFAOYSA-N	251.307	2.961	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)s1	107342192	WSKBYQQAPHYJKB-SDDRHHMPSA-N	292.404	2.644	50	40	CFGB	
Cc1ccc(C)c(/C=N/NC(=O)c2ccc(O)cc2)c1	3340260	YCVXVENTECADCG-LICLKQGHSA-N	268.316	2.773	50	40	CFGB	
CC1=C/C(=N\NC(=O)c2cc(Br)cn2C)CC1	17684008	SELIRLANSQJTKY-UVTDQMKNSA-N	296.168	2.614	50	40	CFGB	
Cc1ccccc1C(=O)N/N=C/c1ccccc1OCC#N	4544383	PJYAQBAEOUVLDO-XDHOZWIPSA-N	293.326	2.661	50	40	CFGB	
CCSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1	9374903	PEPUZIALBDALCC-NSHDSACASA-N	258.346	2.778	50	40	CFGB	
CO[C@@]12CC[C@@H](C(C)(C)C)CC1=C(C#N)C(C#N)=C(N)O2	96336590	VRGACUCQYZATBY-QLJPJBMISA-N	287.363	2.720	50	40	CFGB	
CCOC(=O)[C@@](OCc1ccccc1)(C(=O)Cl)C(C)C	5834412	NDLVNWMMDZJRTC-HNNXBMFYSA-N	298.766	2.927	50	40	CFGB	
N#C/C(=C\c1ccncc1)C(=O)Nc1ccccc1F	7156496	IWFNNFUOFGLCAA-FMIVXFBMSA-N	267.263	2.766	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccco2)cc1O	6182194	HJKIMYFTZXNGTM-YRNVUSSQSA-N	284.271	2.539	50	40	CFGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1	66789	QYSIPVATUUSMKJ-MRXNPFEDSA-N	294.310	2.619	50	40	CFGB	
Cc1ccccc1N[C@H](C)C(=O)N/N=C/c1ccccc1	370551	MPYOPBXQKYLHSB-CRRKTRLDSA-N	281.359	2.946	50	40	CFGB	
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Cl)cc1	38338684	LLQFEJOMMQSNKE-NSHDSACASA-N	250.729	2.869	50	40	CFGB	in-vitro
Cc1ccc(C)c(CC(=O)N/N=C/c2ccccc2)c1	409366032	SKFFYJRVLDTLSF-LDADJPATSA-N	266.344	2.996	50	40	CFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)[C@@H]1C[C@@H]1c1ccccc1	5684929	YHEIMBVHBHKWFQ-CDCWIKPSSA-N	266.344	2.858	50	40	CFGB	
N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1ccccc1	206484056	IUTYORFSPXSQID-JLHYYAGUSA-N	292.294	2.930	50	40	CFGB	
Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1	45710	SGTDPPBZVGIOMC-RQZCQDPDSA-N	273.723	2.686	50	40	CFGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccccc1F	372571	MALHONGOTXIOKB-CSKARUKUSA-N	256.236	2.964	50	40	CFGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cccs1	3157863	PTXJLXLQFFSTEZ-OVCLIPMQSA-N	294.763	2.931	50	40	CFGB	
O=C(CCl)NCc1ccc(Cl)cc1Cl	3276764	PTNHNOLFSVBBBD-UHFFFAOYSA-N	252.528	2.848	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1	8371660	GTRZDKHNNIZXDM-QUYZQLMHSA-N	277.327	2.753	50	40	CFGB	
COc1cccc(C(=O)N/N=C(\C)c2ccc(F)cc2)c1	5621159	RIEDTXJMUQKWTF-WOJGMQOQSA-N	286.306	2.988	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)Cc2ccccc2)cc1	12362382	GSKLDCSVBQNXOF-QGOAFFKASA-N	282.343	2.778	50	40	CFGB	
O=C(CCl)Nc1ccnn1Cc1cccc(Cl)c1	12505047	QXGHYDWQRZDACR-UHFFFAOYSA-N	284.146	2.762	50	40	CFGB	
N#C/C(=C/c1ccsc1)C(=O)NCc1ccccc1	5900329	MQPMHJGMAXVTHR-ZSOIEALJSA-N	268.341	2.971	50	40	CFGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccncc2)c1	211486110	OWMODYVVSFNENL-UVTDQMKNSA-N	263.300	2.936	50	40	CFGB	
O=C(CBr)c1ccc(O)cc1C(F)(F)F	2243397	XGDKECCETITMNI-UHFFFAOYSA-N	283.043	2.989	50	40	CFGB	
COC(=O)/C(C#N)=C(C)\C=C\c1ccc(OC)cc1	17109756	FSSNVGAAFDTPRH-QFERZNBHSA-N	257.289	2.721	50	40	CFGB	
CC1=C/C(=N\NC(=O)c2ccncc2)CC(C)(C)C1	17315934	TUNOKQRAOHXRJU-GHRIWEEISA-N	257.337	2.934	50	40	CFGB	
Cc1c(C(=O)CBr)cnn1-c1ccccc1	158817	VYGXRQSIPNGJNK-UHFFFAOYSA-N	279.137	2.758	50	40	CFGB	in-vitro
COc1ccccc1NCC(=O)N/N=C(/C)c1ccccc1	4817519	CNWPMXOUBJOAKV-UYRXBGFRSA-N	297.358	2.648	50	40	CFGB	
CCC(CC)=NNC(=O)c1ccc(Br)o1	5791867	BYSFBLYBULGRCE-UHFFFAOYSA-N	273.130	2.948	50	40	CFGB	
C/C(=N\NC(=O)c1cnccn1)c1cccc2ccccc12	4898560	ZAGORTIWIZVCPO-UDWIEESQSA-N	290.326	2.784	50	40	CFGB	
Cc1ccccc1[C@H](O)C(=O)N/N=C1\CCCC[C@H]1C	4975589	KWTNJKVVCOOGSF-NRKFOGTBSA-N	274.364	2.711	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1	97147289	QWDHNRSFQAEMRB-ZROIWOOFSA-N	272.348	2.905	50	40	CFGB	
N#C[C@@H](C(=O)N/N=C/c1ccccc1F)c1ccccc1	409204574	AMQXJAIHYRSZEA-HIPSJFSSSA-N	281.290	2.583	50	40	CFGB	
O=C1COCCN1c1ccc(CCl)c(C(F)(F)F)c1	199775886	OZBXGNGCVBURGO-UHFFFAOYSA-N	293.672	2.807	50	40	CFGB	
Cc1cc(O)ccc1N(Cc1cccnc1)C(=O)CCl	199756051	RRNPUDHRBPQJPC-UHFFFAOYSA-N	290.750	2.868	50	40	CFGB	
CC(/C=C\c1ccccc1)=N/NC(=O)c1ccncc1	17311120	COSOIDVYPRKBNX-UULHPABUSA-N	265.316	2.901	50	40	CFGB	
O=P(CCCl)(OCCCl)OCCCl	1699904	XXIDKSWYSYEFAG-UHFFFAOYSA-N	269.492	2.929	50	40	CFGB	
O=C(Cl)c1nnc2sc(-c3ccccc3Cl)nn12	57332583	GOZXINGPNOGYLC-UHFFFAOYSA-N	299.142	2.885	50	40	CFGB	
NNC(=O)c1ccccc1OCc1ccccc1Cl	3885860	JFSSRAYLSPMLIQ-UHFFFAOYSA-N	276.723	2.523	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(C#N)cc2)c(C)c1	216046188	BTOGQAJDXVBFJU-NDENLUEZSA-N	291.354	2.868	50	40	CFGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(N)=S	5271767	YZOWVVYKBDXAOD-YRNVUSSQSA-N	298.323	2.838	50	40	CFGB	
COc1cc(NC(=O)[C@@H](C)Cl)ccc1N1CCCC1	34776815	XQDCYNGOWGDZHK-SNVBAGLBSA-N	282.771	2.861	50	40	CFGB	
O=C(CBr)Nc1cc(-c2ccccc2)no1	3603308	ZWCYNKMAYQTQBA-UHFFFAOYSA-N	281.109	2.675	50	40	CFGB	
CC[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	22415188	PCPPLYASGVKPAM-JTQLQIEISA-N	294.420	2.824	50	40	CFGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cccnc2)cc1	6199177	DQICACAYOYNJIG-OQLLNIDSSA-N	284.340	2.728	50	40	CFGB	
O=C(CNc1ccccc1)N/N=C1\CCCc2ccccc21	21673229	NHDUMQKZNJRXKP-LVZFUZTISA-N	293.370	2.955	50	40	CFGB	
CCS(=O)(=O)[C@H](Cl)C(=O)c1cccc(Cl)c1	96517789	XTYUPUMAADNKRK-JTQLQIEISA-N	281.160	2.522	50	40	CFGB	
Cc1ccccc1N/C=C/C(=C(C#N)C#N)N(C)C	100924337	HCYLNQFAIDSQLS-CMDGGOBGSA-N	252.321	2.783	50	40	CFGB	
C[C@@H](c1ccccc1)C1C(C#N)=C(N)SC(N)=C1C#N	278680	NOCKQMOIGSIBGQ-VIFPVBQESA-N	282.372	2.541	50	40	CFGB	
COc1ccc(C(=O)N/N=C/c2ccsc2)cc1	6127741	KRTPNLHUXQSIKG-RIYZIHGNSA-N	260.318	2.521	50	40	CFGB	
COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Cl	39946632	UYWHOLBFYDFNAA-SNVBAGLBSA-N	266.728	2.569	50	40	CFGB	in-vitro
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1ccc(Br)o1	4646728	WRCBFCPBMKOYPQ-OEFOPLCXSA-N	295.136	2.724	50	40	CFGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccccc1O	4676988	VZYKHRUOCGBMAD-NTEUORMPSA-N	250.298	2.641	50	40	CFGB	
CCOC(=O)N/N=C(C)\C=C\c1ccc2c(c1)OCO2	4702535	MHGHYFAALAIMPT-QPYLURDPSA-N	276.292	2.551	50	40	CFGB	
C/C(=N\NC(=O)c1cccc(C)c1)c1ccncc1	5619380	BDFNXPBRNIQZEN-SFQUDFHCSA-N	253.305	2.544	50	40	CFGB	
CO[C@H](C(=O)N/N=C/C(C)(C)CCC#N)c1ccccc1	408719786	LGRAUKVENOHVPX-QCUKBLKESA-N	287.363	2.806	50	40	CFGB	
O=C(CBr)c1cnccc1C(F)(F)F	199751845	HHPMVZWCKTXVDJ-UHFFFAOYSA-N	268.032	2.678	50	40	CFGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21	66791	JSINZKYQKSXBQD-INIZCTEOSA-N	294.310	2.619	50	40	CFGB	
C[C@H](COc1ccccc1Cl)OC(=O)CCl	1689185	JYFWZRAGTUNCMX-MRVPVSSYSA-N	263.120	2.889	50	40	CFGB	
COc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1	4211333	BPPAFVLADPNTTF-MDWZMJQESA-N	282.299	2.512	50	40	CFGB	
CSC1=C(C#N)[C@H](c2ccccc2C)CC(=O)N1	9110297	SYNHLRVTXPNRQX-NSHDSACASA-N	258.346	2.697	50	40	CFGB	
CCC[C@@H](C(=O)NN)N1c2ccccc2[C@@H](C)CC1(C)C	223221326	CQBFVYFOVUPKQT-WFASDCNBSA-N	289.423	2.937	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc1	206298225	SGJHEMDUSCQTBL-NTEUORMPSA-N	281.315	2.756	50	40	CFGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)N1CCCC1	3194531	LZNHKLXTCMZZBP-FMIVXFBMSA-N	292.285	2.817	50	40	CFGB	
O=C1c2ccc(Br)cc2O[C@H]1Br	103571379	OUJKMWLCBFHRMP-MRVPVSSYSA-N	291.926	2.745	50	40	CFGB	
CC[N+](C)(C)CCSSCC[N+](C)(C)CC	1999063	WENCFWIWAVOZEF-UHFFFAOYSA-N	266.520	2.560	50	40	CFGB	
CCCC(O)(CCC)C(=O)NNc1ccccc1C	175577	SKMRXJGXBQKAJK-UHFFFAOYSA-N	264.369	2.769	50	40	CFGB	
CO[C@@]1(C)OO[C@](C)(O)C12[C@H]1CC[C@@H]2c2ccccc21	104291994	SBLJMFQAJJHXCN-HAXBKTOASA-N	276.332	2.681	50	40	CFGB	
CCCCN(CCCC)C(=O)CBr	33506538	UQISDSAIAARTPX-UHFFFAOYSA-N	250.180	2.810	50	40	CFGB	
CN(CC1CCN(Cc2ccccc2)CC1)C(=O)CCl	79393692	VGTNUVMHUVPYLX-UHFFFAOYSA-N	294.826	2.596	50	40	CFGB	
CCS(=O)(=O)[C@H](Cl)C(=O)c1ccc(Cl)cc1	96517797	ASZBKAQJTUPVJA-JTQLQIEISA-N	281.160	2.522	50	40	CFGB	
CSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1	8970276	ALYPSYUMKXGVOJ-LLVKDONJSA-N	258.346	2.697	50	40	CFGB	
CCOC(=O)c1ccc(C(=O)C(C)(C)CCl)o1	575361969	WPZHMIRQFROWCD-UHFFFAOYSA-N	258.701	2.904	50	40	CFGB	
C[C@]12CC[C@@H](C[C@@H]1O)[C@@]2(C)CI	100746659	MBRHUYLTVIYBIZ-AATLWQCWSA-N	280.149	2.609	50	40	CFGB	
O=C(CCSc1ccccc1)N/N=C/c1ccncc1	59473250	CPBDELHDUJCOBL-SFQUDFHCSA-N	285.372	2.714	50	40	CFGB	
CCN(CC)Cc1nnc2sc(C(Cl)Cl)nn12	102424900	USBAABOAKFCSMN-UHFFFAOYSA-N	294.211	2.504	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C/c1cccc(F)c1	3576143	FQPODBAMLRQTAH-GZTJUZNOSA-N	256.280	2.519	50	40	CFGB	
C[C@@H](Sc1ccccn1)C(=O)NN=C1CCCC1	5130168	QIUHQPDKBBRVOA-SNVBAGLBSA-N	263.366	2.608	50	40	CFGB	
O=C(CBr)c1cccc(OC(F)F)c1	16158758	WPBYWRSJRLRFJH-UHFFFAOYSA-N	265.053	2.866	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2/C[C@H]3CC[C@@H]2C3)c1O	16989800	RNHVRARFPRPHMP-PVKAUPSBSA-N	258.321	2.606	50	40	CFGB	
COCCCNC(=O)/C(C#N)=C/c1cccc2ccccc12	6638483	WJCHAFAJOQNXSA-FOWTUZBSSA-N	294.354	2.899	50	40	CFGB	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)NC1CC1	1456730	ALXKXAJZJQOBMT-SPEXVAAVSA-N	252.317	2.818	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(O)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	107901996	PCNFIBVMSMWWPY-NEPIVZGDSA-N	272.348	2.934	50	40	CFGB	
C[C@@H](C(=O)NNc1ccccc1C(F)(F)F)n1cccn1	45067922	JLBTZBFZYHUZCX-VIFPVBQESA-N	298.268	2.606	50	40	CFGB	
C/C(=N/NC(=O)c1ccoc1C)c1ccc(F)cc1	13940473	BMJVWUPYZMQJSX-SXGWCWSVSA-N	260.268	2.881	50	40	CFGB	
FC(F)(F)CN1CCC(CBr)CC1	87753105	ITHURIPHWCHSPN-UHFFFAOYSA-N	260.097	2.656	50	40	CFGB	
FC(F)(F)[C@H](Br)COCCCl	1083807982	NKTLDNHOIRMUFH-SCSAIBSYSA-N	255.461	2.568	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)c1c[nH]c2ccccc12	576797	FOGHCIMIGWUXKF-VXLYETTFSA-N	293.326	2.940	50	40	CFGB	
CC(C)c1n[nH]c2c1[C@@H](c1ccccc1)C(C#N)=C(N)O2	5130213	LSWALYDXSJAXML-LBPRGKRZSA-N	280.331	2.751	50	40	CFGB	
COC(=O)C[C@H](NC(=O)CCl)c1ccc(C(C)C)cc1	5614101	LBBWUKVIIRBQCN-ZDUSSCGKSA-N	297.782	2.769	50	40	CFGB	
COCCOC(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	6421425	NHOCURKAYMFJMP-DHZHZOJOSA-N	299.248	2.802	50	40	CFGB	
Cc1cc2c(c(=O)o1)[C@H](C1CCCCC1)C(C#N)=C(N)O2	42815	RVFYTUIZCQNJEY-CYBMUJFWSA-N	286.331	2.698	50	40	CFGB	
CCCCCCCCOc1ccc(C(=O)NN)c(O)c1	1919906	XKHWRNDCWXOEHD-UHFFFAOYSA-N	280.368	2.735	50	40	CFGB	
CC1(C)[C@H]2CC[C@@]1(CI)OC(=O)C2	100746483	MSQROIFTGJCYJT-XVKPBYJWSA-N	294.132	2.543	50	40	CFGB	
CCOC(=O)c1ccc(OC)cc1CBr	38526895	NTRWNKUDEDMRBR-UHFFFAOYSA-N	273.126	2.767	50	40	CFGB	
COc1ccc(-c2n[nH]cc2C=C(C#N)C#N)cc1OC	6628100	NAPJDRWLMJEFDG-UHFFFAOYSA-N	280.287	2.524	50	40	CFGB	
NNC(=O)c1cccc(OCc2ccc(Cl)cc2)c1	121211569	IFXDIGUCOYPGTD-UHFFFAOYSA-N	276.723	2.523	50	40	CFGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)[C@H]1CCCO1	1738813	AVDPQMRWSJPQNX-LBMJDHPKSA-N	287.146	2.623	50	40	CFGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2nccs2)cc1	17009482	JBSVPRFHUOOIJB-FLIBITNWSA-N	285.328	2.697	50	40	CFGB	
O=C(CSc1nc2ccccc2[nH]1)NN=C1CCCC1	32519914	FEIJGFHMWICIJS-UHFFFAOYSA-N	288.376	2.701	50	40	CFGB	
COc1ccccc1CN(C(=O)CCl)C(C)C	32108868	SFGGIQPTCXMDQV-UHFFFAOYSA-N	255.745	2.671	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1	576794	WEEXPTYQGIKQPW-VXLYETTFSA-N	293.326	2.940	50	40	CFGB	
CC(C)C(=O)/C(C#N)=C\c1ccc(-n2cncn2)c(F)c1	40549544	WOLFNEGXGFZEMM-XGICHPGQSA-N	284.294	2.538	50	40	CFGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CC(C)(C)C	2639434	QUDDGINJBGWTEH-UHFFFAOYSA-N	298.770	2.546	50	40	CFGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCCCC1	6930708	UVILIVAVZFZCRK-UHFFFAOYSA-N	294.782	2.610	50	40	CFGB	
CC(C)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1	408859917	VLRXCESQJSYULF-VXLYETTFSA-N	297.358	2.880	50	40	CFGB	
Cn1cccc1/C=N\NC(=O)c1ccc(-n2cccc2)cc1	33862955	NSOMSOLJLWIYOW-AQTBWJFISA-N	292.342	2.580	50	40	CFGB	
CC(C)c1ccc(/C=N\NC(=O)c2ccccn2)cc1	32704166	WFJIMRAEOLALEO-WQRHYEAKSA-N	267.332	2.969	50	40	CFGB	
C/C(=N\NC(=O)Cc1ccccc1)c1oc(C)cc1C	48508622	ASOXBJCNPLQOSN-GHRIWEEISA-N	270.332	2.979	50	40	CFGB	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)o1	5409138	ZQXUJXLESVSYTH-LLVKDONJSA-N	298.346	2.827	50	40	CFGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccnc2)cc1	5931675	GFUNAFAMWBKUBW-LCYFTJDESA-N	279.299	2.636	50	40	CFGB	
COc1ccc(Br)c(OC)c1C(=O)Cl	38956735	CHIRKTGXHJSREC-UHFFFAOYSA-N	279.517	2.845	50	40	CFGB	
COc1ccc(OCC(=O)N/N=C/C2CCCCC2)cc1	5917473	GIXWNYBQRATDGX-GZTJUZNOSA-N	290.363	2.756	50	40	CFGB	
CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)CCl	79393682	JAEASTRFBRJPRU-HNNXBMFYSA-N	294.826	2.738	50	40	CFGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cccnc2)c1	6569570	IGQLAPFUWLDSTA-JYRVWZFOSA-N	279.299	2.636	50	40	CFGB	
COCCCNC(=O)N/N=C1/C[C@H](C)CC[C@@H]1C(C)C	102119194	LMMXAUBSWAGYAR-QXSGKPNDSA-N	283.416	2.770	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C2/C[C@@H]3CC[C@H]2C3)cc1	4646915	FGXBZQCQCXYCLX-BVTOWSSGSA-N	272.348	2.991	50	40	CFGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)NC1CCCC1)OCO2	409192918	GBTHJJRMCJFTFK-QPEQYQDCSA-N	298.342	2.690	50	40	CFGB	
Cc1cccc(Nc2nc(N)nc(CCl)n2)c1C	18037536	UXJDIALRLMIANN-UHFFFAOYSA-N	263.732	2.553	50	40	CFGB	
O=C(COc1ccccc1Cl)N/N=C\c1ccsc1	33593254	ADLMFOUMZSCCDW-CHHVJCJISA-N	294.763	2.931	50	40	CFGB	
O=P(Cl)(Cl)NS(=O)(=O)c1ccccc1	95719258	MYNVYOSPXMTLKD-UHFFFAOYSA-N	274.065	2.551	50	40	CFGB	
BrCc1cc(Br)ccn1	96023969	ADHJWVUGJNQQDD-UHFFFAOYSA-N	250.921	2.739	50	40	CFGB	
Cc1ccc2c(CBr)cc(=O)[nH]c2c1	3331315	CUIKICYOEVFXSC-UHFFFAOYSA-N	252.111	2.731	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc2c(c1)OCCO2	6512775	KMYBHVZZGGKYOT-LDADJPATSA-N	296.326	2.612	50	40	CFGB	
CCCC(CCC)=NNC(=O)C(=O)Nc1ccccc1	59434207	OGALWTNGJNVOOS-UHFFFAOYSA-N	275.352	2.698	50	40	CFGB	
N#Cc1cccc(C(=O)/C=C/c2cnn(CCCl)c2)c1	57739297	QXRJGFQHMRVGIU-SNAWJCMRSA-N	285.734	2.890	50	40	CFGB	
C[C@@]12C(=O)OC(=O)[C@H]1C1c3ccccc3C2c2ccccc21	103570719	YFHAQHCIPCPOBW-FCJNSDPXSA-N	290.318	2.983	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)[nH]c2C)cc1	7282305	XHJBQYVWZVKZGH-LICLKQGHSA-N	285.347	2.794	50	40	CFGB	
O=C1CCCC[C@H]1CN(CCCl)CCCl	1684610	VLLMTPMOWCWMDX-JTQLQIEISA-N	252.185	2.525	50	40	CFGB	
O=C(c1ccc([N+](=O)[O-])cc1)N(CCCl)CCCl	1763019	NMNJIQKNVNODPA-UHFFFAOYSA-N	291.134	2.515	50	40	CFGB	
O=C(N/N=C1/CCCc2ccccc21)c1ccccc1O	33615008	BPJJBIBDXNNAAS-SDXDJHTJSA-N	280.327	2.863	50	40	CFGB	
N#CC(C#N)=CN[C@H](c1ccccc1)c1ccncc1	13143792	USGWLBDYKLFYMZ-MRXNPFEDSA-N	260.300	2.692	50	40	CFGB	
CN(C)/C=C(\C#N)C(=O)c1ccc2ccccc2c1	33413568	JFTYRFVZROBFLT-RVDMUPIBSA-N	250.301	2.992	50	40	CFGB	
CCOC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	4293482	XPSJVPLTUALCGN-UHFFFAOYSA-N	292.122	2.776	50	40	CFGB	biogenic
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CBr	606301352	JYLQTSMQJJFJIY-YUMQZZPRSA-N	282.153	2.729	50	40	CFGB	
CO[Si](CCCCc1ccccc1)(OC)OC	203839548	DFZGBLVHGSETPS-UHFFFAOYSA-N	254.402	2.887	50	40	CFGB	
Cc1ccc(-c2csc(NNC(=O)CCl)n2)cc1	1415094	ZYLJNOAQIYEMJV-UHFFFAOYSA-N	281.768	2.800	50	40	CFGB	
O=C(Cl)[C@@H](Cl)CC[C@H](Cl)C(=O)Cl	104181011	ZWSBFWFTKGEOHJ-IMJSIDKUSA-N	251.924	2.512	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)n1	59484675	WOHYBAXQZCASCF-VCHYOVAHSA-N	297.358	2.536	50	40	CFGB	
COc1cccc(/C=N\NC(=O)c2ccc(C)cc2)c1OC	33575000	PERHSAMKBBAYLZ-WQRHYEAKSA-N	298.342	2.776	50	40	CFGB	
O=C(Cl)[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1	45952356	PHIITPCBQSXASK-LBPRGKRZSA-N	273.719	2.958	50	40	CFGB	
CCCC(=O)OC[C@@H](Br)C(F)(F)F	1083809818	ODCCQRLEANUVKH-RXMQYKEDSA-N	263.053	2.656	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(F)cc1	567231	SJKQWGFTWIMQIL-OVCLIPMQSA-N	262.309	2.960	50	40	CFGB	
N[C@@H](C#CCN(CCCl)CCCl)C1CCCCC1	5840629	MATNUQGOIDSTOE-AWEZNQCLSA-N	291.266	2.677	50	40	CFGB	
N#C/C(=C/c1ccc(O)c(O)c1)C(=O)Nc1ccccc1	12352660	HKHOVJYOELRGMV-WQLSENKSSA-N	280.283	2.643	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)o1	7384258	NCSPZDQVDRCFQN-LDADJPATSA-N	297.358	2.952	50	40	CFGB	
O=C(Cc1ccccc1)OCCSCCCl	1668700	SDXCVRJJIAUUCS-UHFFFAOYSA-N	258.770	2.744	50	40	CFGB	
CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)OC(=O)[C@@H]12	100083319	XLYXLZREVVUOAS-YJTLQXIOSA-N	290.318	2.767	50	40	CFGB	
CCSS(=O)(=O)c1cccc2cccnc12	497586	ZYWHWUSZBOXLPP-UHFFFAOYSA-N	253.348	2.677	50	40	CFGB	
CN(C)/C=C(\C=O)Oc1c(Cl)cccc1Cl	33376820	UUODUXLKNLHFSX-SOFGYWHQSA-N	260.120	2.974	50	40	CFGB	
CCCc1nc2c(o1)OC(N)=C(C#N)[C@H]2c1cccc(O)c1	125637	QBEOWXKEHZDXJZ-CYBMUJFWSA-N	297.314	2.551	50	40	CFGB	
Cc1occc1C(=O)N/N=C/c1ccc2ncccc2c1	12524220	BWRXKEHSALQLAZ-VCHYOVAHSA-N	279.299	2.900	50	40	CFGB	
CC1(C(Br)Br)C=CC(=O)C=C1	5171195	VSBFUOPTTCMDST-UHFFFAOYSA-N	279.959	2.804	50	40	CFGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(C#N)cc2)NC(=O)N1	409367898	JCYOFFLIQGAPOG-CYBMUJFWSA-N	280.331	2.736	50	40	CFGB	
CCc1ccc2c(c1)C[C@H](CI)O2	218735983	DFUKHSRBWSMVQN-SNVBAGLBSA-N	288.128	2.988	50	40	CFGB	
CCOC(=O)c1c(NC(=O)CCl)ssc1=S	5834928	XAQZEWHPSUWZPA-UHFFFAOYSA-N	297.810	2.893	50	40	CFGB	
N#CC1=C(N)OC2=C(CCCC2=O)[C@@H]1c1ccc(F)cc1	125593	QCDIFOIKMSKYQQ-AWEZNQCLSA-N	284.290	2.640	50	40	CFGB	
COc1ccc([C@H]2CCCN2C(=O)CCl)cc1OC	68581015	SBCVXVOZSHFRJE-LLVKDONJSA-N	283.755	2.606	50	40	CFGB	in-vitro
CC[C@@H](Br)C(=O)N1CCCC[C@H]1CC	32919619	HPIFPOOZFCOCLA-NXEZZACHSA-N	262.191	2.951	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2ccccc2[C@@H](C)CC1(C)C	223202433	OUEUJBBECLCHNL-AAEUAGOBSA-N	275.396	2.547	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(C)o2)cc1	5618411	KLMSPEFSQOQMAL-LFIBNONCSA-N	272.304	2.751	50	40	CFGB	
CN(/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1	1718805	AGAWXPDBUREQRM-LFIBNONCSA-N	283.287	2.701	50	40	CFGB	
CCC(=O)NNc1nc2c(Cl)cccc2s1	4121368	ZUDCQUSSDSAZGT-UHFFFAOYSA-N	255.730	2.803	50	40	CFGB	
CNc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1[N+](=O)[O-]	40549631	ATRQZPLSNODLAS-IZZDOVSWSA-N	273.292	2.769	50	40	CFGB	
COc1ccc(NC(=O)CCl)cc1C(F)(F)F	4205215	ZJLYSUYBGKIGBW-UHFFFAOYSA-N	267.634	2.891	50	40	CFGB	
N#C/C(=C\N1CCCC1)C(=O)Nc1cccc(Cl)c1	5031028	ZDIBSKHGDOFYBB-ZHACJKMWSA-N	275.739	2.782	50	40	CFGB	
CCOC(=O)N/N=C(/C)c1ccc(Cl)c([N+](=O)[O-])c1	35604534	KWLZHEYUNPLVKR-QPEQYQDCSA-N	285.687	2.718	50	40	CFGB	
N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)C(N)=S	33710761	PEDATZYSZRQCPW-YFHOEESVSA-N	298.327	2.579	50	40	CFGB	
FC(F)(F)OC[C@@H](Br)C(F)(F)F	1083807903	AAVHJFZBFXTASS-UWTATZPHSA-N	260.959	2.849	50	40	CFGB	
C[C@@H](/C=N/NC(=O)c1ccncc1)c1ccccc1	5515390	FWEDGCOLIDBJGV-OOIIIRTPSA-N	253.305	2.601	50	40	CFGB	
N#CC(C(=O)c1ccncc1)=C1Nc2ccccc2N1	11667634	HYGYZRYZBHWTGI-UHFFFAOYSA-N	262.272	2.537	50	40	CFGB	
COC(=O)N/N=C\c1c(C)nn(-c2ccccc2)c1Cl	4464550	WBKZQBGLSLKTEC-NVNXTCNLSA-N	292.726	2.524	50	40	CFGB	
C/C(=N\NC(=O)c1cc(O)ccc1O)c1ccccc1C	17009164	IUAYHTWKJGRWEA-GZTJUZNOSA-N	284.315	2.560	50	40	CFGB	
O=C(N/N=C1/CCc2ccccc21)c1ccc(F)cc1	33668282	CVWPYGAIXWZDCN-SDXDJHTJSA-N	268.291	2.906	50	40	CFGB	
O[C@@H](CBr)c1ccccc1Br	88247255	LSOZDQDHEMEVRG-QMMMGPOBSA-N	279.959	2.877	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1ccnc2ccccc12	13214889	NHAQXIGAEKRJQM-FMIVXFBMSA-N	252.273	2.705	50	40	CFGB	
CO[C@H](c1ccc2c(c1)OCO2)[C@@H](C)Br	1608720	JQJJDOUHCWKQHF-HQJQHLMTSA-N	273.126	2.886	50	40	CFGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)OC)cc1	2636427	DTTSVUFQILNUBD-JLHYYAGUSA-N	258.321	2.613	50	40	CFGB	
FC[C@@](Cl)(Br)CBr	63146282	VWXWQRSPCISHJB-GSVOUGTGSA-N	254.324	2.681	50	40	CFGB	
O=C(NNC(=O)C1CC1)c1sccc1-c1ccccc1	15663193	CHOAABWZGTXTMC-UHFFFAOYSA-N	286.356	2.586	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1	33319084	BJAXQGYKAOTJGB-YBEGLDIGSA-N	283.287	2.667	50	40	CFGB	
CCOc1ccc(-c2nc(CCl)n[nH]2)cc1OC	85385585	PLVXIWHXSLQXII-UHFFFAOYSA-N	267.716	2.618	50	40	CFGB	
Cc1ccc(NC(=O)[C@H](C)Br)cc1[N+](=O)[O-]	28225	AKLIPVZSVUDVBZ-ZETCQYMHSA-N	287.113	2.625	50	40	CFGB	
CCCCNC(=S)NNC(=O)c1csc(C(C)C)c1	8829108	NSAJSIBOZIQZFR-UHFFFAOYSA-N	299.465	2.781	50	40	CFGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(N)=O	3255562	WIVQLGBUDFITQF-NTEUORMPSA-N	296.301	2.797	50	40	CFGB	
CCSC1=C(C#N)[C@@H](c2ccc(C)o2)CC(=O)N1	8973440	JEWOUWCNKJLSOO-VIFPVBQESA-N	262.334	2.680	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2cccn2C)c(Cl)c1	32110873	UFEZTYIKYMMCOW-SXGWCWSVSA-N	275.739	2.751	50	40	CFGB	
BrC[C@@H]1CC(Cc2ccccc2)=NO1	138702216	CVKGPWGHPJUUQN-NSHDSACASA-N	254.127	2.769	50	40	CFGB	
C=C1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1	95117446	ZJBJQOVKBPNEOF-OAHLLOKOSA-N	278.311	2.667	50	40	CFGB	
N#C/C(=C\c1ccco1)C(=O)OCc1ccccc1	12376506	JOWATGQDYCSXPE-UKTHLTGXSA-N	253.257	2.930	50	40	CFGB	
COc1cccc(/C(C)=N/NC(=O)c2ccc(O)cc2)c1	5163668	XCJQMMHRCHQNTD-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
O=C(N/N=C1/CCc2ccccc21)c1ccccc1	4358001	VEJYJKYPBQSRBP-ICFOKQHNSA-N	250.301	2.767	50	40	CFGB	
CC(C)=C1C(=O)OC(=O)/C1=C\c1cn(C)c2ccccc12	101391587	KHUITRFQRYFKER-JYRVWZFOSA-N	281.311	2.982	50	40	CFGB	
CCC[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	550614	MFNMAMXSYIZSGS-VIFPVBQESA-N	282.299	2.763	50	40	CFGB	aggregator
CCCc1cc(C(=O)N/N=C/c2cnn(CC)c2)cs1	17022456	HDNLQZZTSXFJGW-VIZOYTHASA-N	290.392	2.681	50	40	CFGB	
CSc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1	33362198	VNERUTRUCRGMPC-WQLSENKSSA-N	260.362	2.840	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2N)c(C)c1	45737	WMLBAORSQAFMNP-VCHYOVAHSA-N	267.332	2.650	50	40	CFGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1	5475416	OBHNAAIXCYOMKD-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
N#C/C(=C\C=C\c1ccco1)C(=O)NCc1ccco1	20479669	ZVPANMWQOZGUGP-BBZRJGFTSA-N	268.272	2.652	50	40	CFGB	
CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CCl	8231175	ZUUNIIXOHMKVLE-UHFFFAOYSA-N	299.783	2.776	50	40	CFGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1	43080336	RQHCJSIDHJFLPY-SDNWHVSQSA-N	292.342	2.693	50	40	CFGB	
Cc1ccccc1COc1ccc(/C=C/C(=O)NN)cc1	226332585	HLOUTQKXJICXDI-DHZHZOJOSA-N	282.343	2.577	50	40	CFGB	
ClCCN(CCCl)C1Cc2ccccc2C1	1568747	ALYDGZOKMQGHJH-UHFFFAOYSA-N	258.192	2.933	50	40	CFGB	
CC(C)(C)OC(=O)N1C(=O)OC(=O)[C@H]1Cc1ccccc1	104850595	MFGBEMRROYABSH-LLVKDONJSA-N	291.303	2.512	50	40	CFGB	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1	13586190	FONUMHBHOAHTAW-KRWDZBQOSA-N	291.354	2.971	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2O)cc1C	408565853	BMVAWRKWVKKFMJ-WOJGMQOQSA-N	282.343	2.702	50	40	CFGB	
CCOc1cc(/C=C(/C#N)C(N)=S)ccc1OC(F)F	408543290	NTPBFIVCZMLJSV-UITAMQMPSA-N	298.314	2.880	50	40	CFGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(O)cc1	36476298	DBDYIVALDDTKPD-NTRNKVOISA-N	272.348	2.669	50	40	CFGB	
CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1	40864550	GEJLTBFBNTYAGW-LCYFTJDESA-N	258.321	2.517	50	40	CFGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)OCC)cc1OCC	5712409	XYWANFUCJJXFAG-GXDHUFHOSA-N	299.326	2.567	50	40	CFGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cccn2C)c1	205794829	VWKAQLATDKPUEP-XFXZXTDPSA-N	281.315	2.579	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)OC(C)(C)C)c(Cl)c1	2178231	FDBQITKBZYSLAC-UHFFFAOYSA-N	284.743	2.818	50	40	CFGB	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)NCc1ccccn1	6644631	AJGQKWIMZDJPQA-LCYFTJDESA-N	297.745	2.958	50	40	CFGB	
O=C(CBr)c1cccc2cnccc12	199752072	FLYHCHAFXYEAJK-UHFFFAOYSA-N	250.095	2.812	50	40	CFGB	
COc1cccc(/C=N/NC(=O)Nc2ccccc2)c1	524136	QMXLTDVCADTHSS-LFIBNONCSA-N	269.304	2.851	50	40	CFGB	
O=[S@](Sc1ccc(O)cc1)c1ccc(O)cc1	1857775580	MPPFLJFCMKWNLU-QGZVFWFLSA-N	266.343	2.913	50	40	CFGB	
COc1ccc(Cc2cnc(NC(=O)CCl)s2)cc1	134136	MNFXCVLIVZJTDH-UHFFFAOYSA-N	296.779	2.920	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)c1ccccc1C	502777	NSDXPKMEMIFUFG-GZTJUZNOSA-N	268.316	2.768	50	40	CFGB	
O=C(c1ccccc1[N+](=O)[O-])N(CCCl)CCCl	1763101	QPRRTJHYSKVXSM-UHFFFAOYSA-N	291.134	2.515	50	40	CFGB	
Cn1c(/C(C#N)=C(\O)CCCC(=O)O)nc2ccccc21	100830985	HJXOUIZOLOPTIS-RAXLEYEMSA-N	285.303	2.621	50	40	CFGB	
Cc1cc(NC(=O)NNc2ccc(F)c(F)c2F)no1	58310236	CSVJXDCDHGVWSK-UHFFFAOYSA-N	286.213	2.549	50	40	CFGB	
CC(C)OP(=O)(OC(C)C)[C@@H](Br)C=O	2271800	XHGDJRFKXPWFJK-MRVPVSSYSA-N	287.090	2.949	50	40	CFGB	
N#C/C(=C/c1ccco1)C(=O)Nc1ccc(F)cc1	6221967	GXQNNJBUMFIJBA-NTMALXAHSA-N	256.236	2.964	50	40	CFGB	
COc1cccc(C2=NO[C@H](CBr)C2)c1	217840758	KRPYMDJINMRBSL-JTQLQIEISA-N	270.126	2.583	50	40	CFGB	
CC(C)(C)OC(=O)N/N=C(\N)c1ccc(F)c(Cl)c1	43769299	XGMDPPBDZZUZSA-UHFFFAOYSA-N	287.722	2.624	50	40	CFGB	
CCCC1CCC(c2ccc(B(O)O)c(F)c2)CC1	196681545	OZKQZVHMAGMWIN-UHFFFAOYSA-N	264.149	2.579	50	40	CFGB	
CC(=O)OC1[C@@H](Br)CCC[C@@H]1Br	1557111	CMSPBOMUJNOKFZ-BQBZGAKWSA-N	299.990	2.629	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccccc2C)o1	370061	VSRRETRSLGEDJP-VZWMTCDZSA-N	285.347	2.847	50	40	CFGB	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)NC1CCCCC1	2768575	WZRYCHCBBITYND-CSKARUKUSA-N	289.291	2.544	50	40	CFGB	
CCOC(=O)N/N=C/c1ccc(N(CC)CC)cc1	1713018	PMXDNOSFQBDWNG-RVDMUPIBSA-N	263.341	2.613	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)o1	15230763	RJTBTWJQVJQZGT-YFKVMKKCSA-N	289.379	2.622	50	40	CFGB	
CC(=O)Nc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1	19594377	KVLQVEOOKPZEJG-UHFFFAOYSA-N	292.342	2.927	50	40	CFGB	
Cc1ccc(/C=C/C(=O)N/N=C/c2cccnc2)cc1	409054562	BWCPVTPRLBOPLV-JSZSTJHOSA-N	265.316	2.554	50	40	CFGB	
CC(C)N(Cc1ccccc1C#N)C(=O)CCl	79420190	BOWJSODBOLDISN-UHFFFAOYSA-N	250.729	2.534	50	40	CFGB	
CCOC(=O)C(F)(F)c1ccc(CBr)cn1	199817211	IOYASLVTODQRMZ-UHFFFAOYSA-N	294.095	2.631	50	40	CFGB	
O=C(Cl)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1	45952696	RSBILLBNJJTBEN-ZCFIWIBFSA-N	276.094	2.597	50	40	CFGB	
NC(=O)N/N=C/c1c(-c2ccccc2)cc2ccccn12	5902428	JGWOYFVSPLZXSA-WOJGMQOQSA-N	278.315	2.609	50	40	CFGB	
C/C(=N/NC(=O)Cc1cccs1)c1ccccc1	12362190	DGBOKDCIOKZJBS-PTNGSMBKSA-N	258.346	2.831	50	40	CFGB	
C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccccc14	100473369	VFUITWPFKLGEQA-FGJKEHQJSA-N	292.382	2.857	50	40	CFGB	biogenic
CN(C)c1cccc(C(=O)N/N=C/c2ccsc2)c1	372675	PWXHFEZRHBGKNO-OQLLNIDSSA-N	273.361	2.578	50	40	CFGB	
O=C(N/N=C/C#Cc1ccccc1)c1cccc(F)c1	59377995	ALSYTVLGOFGJFL-WOJGMQOQSA-N	266.275	2.593	50	40	CFGB	
O=C(NC1CC1)[C@@H](Br)c1ccc(F)cc1	9256649	NNVQPUIQEPLXIJ-JTQLQIEISA-N	272.117	2.540	50	40	CFGB	
CO[C@@H](C(=O)N/N=C(\C)c1cccs1)c1ccccc1	408831058	PKFHUWJCJKGPBP-DSQDWWTGSA-N	288.372	2.976	50	40	CFGB	
Cc1cccc(Cn2cc(C(=O)NN)c3ccccc32)c1	216946806	GOCNDNWLFKCTHJ-UHFFFAOYSA-N	279.343	2.602	50	40	CFGB	
Cc1cccc2c1N(C(C)(C)C(=O)NN)C(C)(C)C[C@H]2C	260616366	JGICCGBVKUXMLT-GFCCVEGCSA-N	289.423	2.856	50	40	CFGB	
CCOP(=O)(OCC)/C(C#N)=C\c1cccn1N(C)C	17256777	VHILLNLPYVSLHJ-RAXLEYEMSA-N	297.295	2.816	50	40	CFGB	
CCOc1ccc([C@@H]2OC[C@@H](CCl)O2)cc1OC	1689345	PVVFEBSSVWPLQF-ZWNOBZJWSA-N	272.728	2.747	50	40	CFGB	
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Cl	2537779	IGMCOMFRXDLRGR-UHFFFAOYSA-N	261.030	2.629	50	40	CFGB	
Cc1ccc(CSCCNC(=O)CCl)cc1	4206198	BJHCFWDTXAWTGA-UHFFFAOYSA-N	257.786	2.583	50	40	CFGB	
Cc1c(Br)cccc1NC(=O)CCl	20416283	JSVXFZNVIWFUHL-UHFFFAOYSA-N	262.534	2.935	50	40	CFGB	
Cc1cc(C(=O)NN)c(C)n1-c1cccc(C(F)(F)F)c1	223714345	TXAIYDGDQAALRR-UHFFFAOYSA-N	297.280	2.716	50	40	CFGB	
C[C@H](CCC(=O)O)SSc1ccc([N+](=O)[O-])cn1	90694411	PRPUZAGHPOFJRJ-SSDOTTSWSA-N	288.350	2.983	50	40	CFGB	
CC(C)O[P@](=O)(OCCCO)C(Cl)Cl	5456657	HBAJBJSKGHTGFC-CQSZACIVSA-N	265.073	2.765	50	40	CFGB	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)c1	42436	XASKBVHQFRIXMC-AWEZNQCLSA-N	280.331	2.553	50	40	CFGB	
COC(=O)CSSCc1ccc([N+](=O)[O-])cc1	1596098	QXKKNZRCMRBLPV-UHFFFAOYSA-N	273.335	2.649	50	40	CFGB	
COc1cc(/C=C(\C#N)c2nc(C)cc(C)n2)ccc1O	32789550	VYMVRROIBSVZMC-NTUHNPAUSA-N	281.315	2.872	50	40	CFGB	
CCC(=O)NNC(=S)Nc1ccc(C(C)C)cc1	6388732	BRRVMNOSYWTNDY-UHFFFAOYSA-N	265.382	2.538	50	40	CFGB	
C[C@H](CP(=O)(c1ccccc1)c1ccccc1)C(=O)O	104133492	DLHAOJSRHRLBTJ-CYBMUJFWSA-N	288.283	2.721	50	40	CFGB	
O=C(CCl)N[C@@H](c1ccccc1)c1nccs1	57218674	HQKQFWBIXDPHDK-NSHDSACASA-N	266.753	2.588	50	40	CFGB	in-vitro
C/C(=N/NC(=O)COc1ccc(C)cc1C)c1ccco1	13895656	DPIVVVXSYREBBM-LGMDPLHJSA-N	286.331	2.816	50	40	CFGB	
O=C(CNC1CCCCC1)N/N=C/c1cccc(Cl)c1	409379625	YTIMNFQEGARYPO-VCHYOVAHSA-N	293.798	2.712	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(OC)ccc1OC	408800469	MPZFAAOMKDWSGF-ZWSXMNCCSA-N	288.347	2.525	50	40	CFGB	
C[C@@H]1CN1P(=O)(N1CC2CCC(CC2)C1)N1C[C@H]1C	301054433	LOCSMOXTUMTLBZ-RMKKZYKJSA-N	283.356	2.625	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@@H]1C2)c1ccccc1[N+](=O)[O-]	225631162	PBTGERFGSPGQIL-NDKUROHZSA-N	285.303	2.523	50	40	CFGB	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccccc1	252492584	MPRSSLXERPAABM-CSKARUKUSA-N	283.243	2.733	50	40	CFGB	
CC(C)(CCl)C(=O)Nc1c(C(N)=O)oc2ccccc12	4851902	KABWTNDKRNGGAN-UHFFFAOYSA-N	294.738	2.735	50	40	CFGB	
O=C(O)c1cccc(OCCCBr)c1	8731605	DMZPYRGHPFRCEC-UHFFFAOYSA-N	259.099	2.549	50	40	CFGB	
COC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccsc1	495318	MPQICRVAVQERMV-NSHDSACASA-N	292.385	2.547	50	40	CFGB	
CC(C)(C)c1noc2c1[C@@H](c1cccnc1)C(C#N)=C(N)N2	55008630	DGCUDDLKLPZPBZ-NSHDSACASA-N	295.346	2.618	50	40	CFGB	
CCOC(=O)[C@H](/C(C)=N/NC(=O)c1cccs1)C(C)C	101431360	GQHCFUSMZASPQE-XBUHWIKASA-N	296.392	2.689	50	40	CFGB	
FC(F)(F)SCCI	71792913	UULNBNOAAFFZSG-UHFFFAOYSA-N	256.030	2.674	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)o1	286711	LKIAJLRFFRXAFJ-YRNVUSSQSA-N	272.329	2.873	50	40	CFGB	
COc1cccc(C(=O)N/N=C\c2cccs2)c1	6490773	JKJQEIODKFFLDI-ZROIWOOFSA-N	260.318	2.521	50	40	CFGB	
CN(NC(=O)c1cnn(-c2ccccc2)c1)c1ccccc1	11354792	MELSPRFTKNBBNX-UHFFFAOYSA-N	292.342	2.654	50	40	CFGB	
Cl[C@H](CN1CCOCC1)[C@H](Cl)c1ccccc1	1675250	WSONXBVAEHILOL-CHWSQXEVSA-N	274.191	2.906	50	40	CFGB	
CCCCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	2763989	CODVBXONSZASGP-UHFFFAOYSA-N	291.395	2.728	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@@H]1C2)c1ccc(Cl)cc1O	225753920	PEFGCLHCFSXZCW-FUBCUIIASA-N	290.750	2.973	50	40	CFGB	
CC(C)OC(=O)OC[C@@H](Br)C(F)(F)F	1083809172	SOVVUZQVRHTWCS-RXMQYKEDSA-N	279.052	2.874	50	40	CFGB	
CC(C)c1n[nH]c2c1[C@@H](c1cccs1)C(C#N)=C(N)O2	13146861	KVEBBIAYUFQONV-SNVBAGLBSA-N	286.360	2.813	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)c(C)c1	6963819	YDSAKOYQQFIPOS-RVDMUPIBSA-N	283.375	2.638	50	40	CFGB	
C/C(=N\NC(=O)Nc1ccccc1)c1ccc(O)cc1O	4499304	ALGGLWYXQVJIIF-LICLKQGHSA-N	285.303	2.644	50	40	CFGB	
C/C(CCc1ccccc1)=N\NC(=O)CN1CCCCC1	408719510	RCQDVKMNRNHWQY-OBGWFSINSA-N	287.407	2.597	50	40	CFGB	
CS(=O)(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	9995932	XEAAPRJMIAQSLI-UXBLZVDNSA-N	275.251	2.614	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cccc(OC)c1	46705555	DIAUXKJSTHPOST-KAQJVSAMSA-N	258.321	2.517	50	40	CFGB	
CCOc1ccc(NC(=O)C(Cl)Cl)c([N+](=O)[O-])c1	5906689	DHNXNZVMHNSKKX-UHFFFAOYSA-N	293.106	2.736	50	40	CFGB	
N#C[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br	169799410	DEEVDUKZMAWCQE-SYQHCUMBSA-N	291.192	2.794	50	40	CFGB	
Nc1ccccc1C(=O)NN=C1C2CC3CC(C2)CC1C3	45705	YRNIMMOVGZDWGH-UHFFFAOYSA-N	283.375	2.811	50	40	CFGB	
C/C(=N/O)[C@H]1C[C@H]2C=C(C#N)[C@H]1N(Cc1ccccc1)C2	104247495	WFMNNEXNOLXAEP-YKAAKISVSA-N	281.359	2.807	50	40	CFGB	
O=C1OC(=O)c2ccccc2/C1=C\Nc1ccccc1	103454728	BIGBHHNSLUHGKO-GXDHUFHOSA-N	265.268	2.837	50	40	CFGB	
FC(F)[C@](F)(Br)CBr	64370153	DWRCNDATSLAZLA-VKHMYHEASA-N	255.859	2.707	50	40	CFGB	in-vitro
COc1ccccc1/C=N\NC(=O)Cc1ccc(C)cc1	409364571	XXAJNPIAJOUPIC-PDGQHHTCSA-N	282.343	2.696	50	40	CFGB	
O=c1[nH]c(CCl)nc2c1[C@H]1CCCC[C@H]1S2	71981132	YNHOYFMCCWIJNK-NKWVEPMBSA-N	256.758	2.641	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1	33314155	CHQGMIODLKNGMK-YBEGLDIGSA-N	283.287	2.667	50	40	CFGB	
O=C(CNc1ccccc1)N/N=C1/CCCc2ccccc21	34878568	NHDUMQKZNJRXKP-JZJYNLBNSA-N	293.370	2.955	50	40	CFGB	
COc1ccc(C(=O)N/N=C2\C[C@@H]3CC[C@H]2C3)cc1OC	5527270	VYBBBOSWYNVACK-CVQDRVJJSA-N	288.347	2.610	50	40	CFGB	
CC(C)(CCl)C(=O)c1ccc(N2CCOCC2)cc1	575358842	UHLXXWZJNFKXAV-UHFFFAOYSA-N	281.783	2.971	50	40	CFGB	
O=C(NN(Cc1ccccc1)c1ccccc1)[C@H]1CCCO1	36767665	HWYUDDMUPCEFMV-QGZVFWFLSA-N	296.370	2.903	50	40	CFGB	
N#Cc1ccc(C(=O)N/N=C/c2cccs2)c(F)c1	2795096	NZLJPFGAJZBMMF-LZYBPNLTSA-N	273.292	2.523	50	40	CFGB	
CC(C)(C)OC(=O)N/N=C/c1ccc(-n2ccnc2)cc1	7900006	VVJVYXYIMKGSJM-LICLKQGHSA-N	286.335	2.731	50	40	CFGB	
Cc1ccccc1[C@@H](O)C(=O)N/N=C1\CCCC[C@@H]1C	4975587	KWTNJKVVCOOGSF-LKTUOBEHSA-N	274.364	2.711	50	40	CFGB	
CC(C)(OC(=O)CBr)c1ccccc1	199352376	FJNPVJJELYACEU-UHFFFAOYSA-N	257.127	2.860	50	40	CFGB	
O=C(NNc1ccc(F)cc1)c1ccc(O)c(Cl)c1	96997648	ZOHRUFSODUAXPO-UHFFFAOYSA-N	280.686	2.942	50	40	CFGB	
O=C(CBr)c1ccc2c(c1)OC(F)(F)O2	169797337	YFLKCNNTMGPMJU-UHFFFAOYSA-N	279.036	2.586	50	40	CFGB	
O=C(N/N=C\c1cccc2ccccc12)c1cccnc1	5182120	IAYHTOVGJJEMHL-UNOMPAQXSA-N	275.311	2.999	50	40	CFGB	
CC1=C(C#N)C(=O)C[C@@H](c2ccc(Cl)cc2)N(C)N1	5757415	KMDJILMPXLKKDP-ZDUSSCGKSA-N	275.739	2.588	50	40	CFGB	
O=C(N/N=C/C=C/c1ccccc1)c1ccc2c(c1)OCO2	3527031	PDKPTFCDFDQBGT-UOMISXDJSA-N	294.310	2.844	50	40	CFGB	
Cc1ccsc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	183819	OHSCKUZLJMLENR-LBPRGKRZSA-N	286.356	2.871	50	40	CFGB	
CC(C)=NNC(=O)CNc1cccc(Cl)c1C	586216	DVYSOWLPPZORMD-UHFFFAOYSA-N	253.733	2.572	50	40	CFGB	
ClC[C@H]1COc2ccc(Br)cc2O1	4769566	GBQHJXXWOSBGQF-ZETCQYMHSA-N	263.518	2.828	50	40	CFGB	
O=C(CCSc1ccccc1)N/N=C/c1ccccn1	59473165	MZFPVDAWSXUPGB-SFQUDFHCSA-N	285.372	2.714	50	40	CFGB	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(O)c1	41696298	RPEFAEWRRFXGAQ-XYOKQWHBSA-N	280.283	2.643	50	40	CFGB	
CCOc1ccccc1[C@H](CC)NC(=O)CCl	68583612	COCIFBANUQYAQJ-NSHDSACASA-N	255.745	2.891	50	40	CFGB	in-vitro
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N\NC(=O)c1ccncc1	229821235	RKMIHGGMEVPUDD-CXAXULKWSA-N	269.348	2.790	50	40	CFGB	
COc1ccccc1C(=O)N/N=C/C=C/c1ccco1	3023669	JHNVCODAUHQHPA-XLVDTEJUSA-N	270.288	2.717	50	40	CFGB	
C[C@@]12CC[C@@H](CC1=O)[C@@]2(C)CI	4228143	FOPVQQUAABFQPF-FXBDTBDDSA-N	278.133	2.817	50	40	CFGB	
COc1ccc(/C=C(\C#N)c2nc(C)cc(C)n2)cc1O	32789553	PFWXFJVTHMABQZ-NTUHNPAUSA-N	281.315	2.872	50	40	CFGB	
CC1=CCOC[C@@H]1N(C(=O)CCl)c1ccc(C)cc1	549816	JCNCXNHBAKMPOV-AWEZNQCLSA-N	279.767	2.912	50	40	CFGB	
O=C(Cl)[C@@H](Cl)CC[C@@H](Cl)C(=O)Cl	104181014	ZWSBFWFTKGEOHJ-ZXZARUISSA-N	251.924	2.512	50	40	CFGB	
COc1cc(/C=C(\C#N)c2ccccn2)c([N+](=O)[O-])cc1O	9338737	JWOHGRLBHSBLOO-IZZDOVSWSA-N	297.270	2.768	50	40	CFGB	
CO[C@H](C(=O)N/N=C/c1ccccc1)c1ccccc1	9434860	GJUSHBYTYQJTMV-YSKWHIJTSA-N	268.316	2.524	50	40	CFGB	
Cc1nc(C)c2c(n1)S[C@H](CBr)C2	22114742	NOBBLBNFRLZRBN-ZETCQYMHSA-N	259.172	2.505	50	40	CFGB	
COC(=O)[C@H]1[C@H]2CC[C@@]1(C)[C@@]2(C)CBr	218262819	CDSWKWSLJZFMRL-OYBPUVFXSA-N	261.159	2.607	50	40	CFGB	
O=C(Cl)[C@H]1CC(=O)N(c2cccc3ccccc23)C1	45952344	BFOOPGNIFKJZIX-NSHDSACASA-N	273.719	2.958	50	40	CFGB	
CC(C)CC(=O)N/N=C/c1ccccc1Br	8512161	OFNCOAOKRHXWJI-RIYZIHGNSA-N	283.169	2.945	50	40	CFGB	
CN(C)c1oc(C=C(C#N)C#N)cc1Br	59104389	VEBAMCRMQAHZMT-UHFFFAOYSA-N	266.098	2.539	50	40	CFGB	
CC(=O)Nc1ccc(OCCCl)c(OCCCl)c1	3159783	GIJKHHLAKYREHD-UHFFFAOYSA-N	292.162	2.880	50	40	CFGB	
CCC[C@@H](C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	3269587	PKZSLSOLFRCPGF-NOZJJQNGSA-N	260.337	2.770	50	40	CFGB	
O=C(Cl)c1ccc(OCC2CC2)c([N+](=O)[O-])c1	72226461	FROWRRWTHQDYOH-UHFFFAOYSA-N	255.657	2.763	50	40	CFGB	
CC(C)N(Cc1cccc([N+](=O)[O-])c1)C(=O)CCl	79420794	GGYYUGSIYHKCQT-UHFFFAOYSA-N	270.716	2.571	50	40	CFGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccc1F	34032	PUDXMEQRKLGNER-VGOFMYFVSA-N	293.279	2.559	50	40	CFGB	
CCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc[nH]2)cc1	357536	MTTDOVPMVNGWCP-WOJGMQOQSA-N	298.346	2.517	50	40	CFGB	
O/N=C/c1ccc(N(CCCl)CCCl)cc1	104184698	FXVFBBQKGSWGPW-NTEUORMPSA-N	261.152	2.779	50	40	CFGB	
Cc1ccc(NC(=O)[C@@H](C)Br)cc1[N+](=O)[O-]	28224	AKLIPVZSVUDVBZ-SSDOTTSWSA-N	287.113	2.625	50	40	CFGB	
COC(=O)CSSC(Cl)(Cl)Cl	1626912	HZISRHXQFHSXDY-UHFFFAOYSA-N	255.575	2.869	50	40	CFGB	
CC(/C=N\NC(=O)c1ccncc1)=C\c1ccccc1	33285407	FSFKVSPCDZARKW-FHPPUIMOSA-N	265.316	2.901	50	40	CFGB	
C[C@H]1CC[C@@H]2c3c(nc(CCl)[nH]c3=O)S[C@@H]2C1	71981127	WVSFLXFOASPUSP-BIIVOSGPSA-N	270.785	2.887	50	40	CFGB	
C[C@H](Oc1ccccc1)C(=O)NN=Cc1cccs1	245241986	VVDWJARQHBZOGZ-NSHDSACASA-N	274.345	2.666	50	40	CFGB	
N#C/C(=C\c1ccccc1O)C(=O)Nc1ccccc1O	141772	AMIRQGPBJRUZQC-FMIVXFBMSA-N	280.283	2.643	50	40	CFGB	
O=C(N/N=C/c1ccoc1)c1c[nH]c2ccccc12	2754752	PONWBNCICLYJOX-FRKPEAEDSA-N	253.261	2.525	50	40	CFGB	
COc1ccc(OC(F)(F)F)cc1C(=O)Cl	2527882	RUAKPPHFBCDTSH-UHFFFAOYSA-N	254.591	2.973	50	40	CFGB	
C[C@H]1COCCN1C(=O)CCCC[C@@H]1CCSS1	47508852	UFZLEFDAZQEDRM-NWDGAFQWSA-N	289.466	2.948	50	40	CFGB	
CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)c1cccc(C)c1	13151914	XPNZNPZITSTAKW-MTOJCTJASA-N	290.363	2.690	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/[C@@H]2CC=CCC2)cc1	6127801	JUDICHKLYLWLQO-RFRKOGIWSA-N	272.348	2.696	50	40	CFGB	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccccc2)c1	12462850	KTWPHBSDJWGMJB-CQSZACIVSA-N	282.343	2.913	50	40	CFGB	
CC(C)COC(=O)c1ccccc1NC(=O)CCl	1671447	PTYMOXMCPSLHJY-UHFFFAOYSA-N	269.728	2.677	50	40	CFGB	
Cc1cc(C)[n+]2c(c1C#N)SC[C@H]2CBr	3176668	WDAGFNBHLKUOFC-SECBINFHSA-N	284.202	2.504	50	40	CFGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)C(N)=O	23042650	GQBCVJQDELRYKU-JXMROGBWSA-N	299.311	2.716	50	40	CFGB	
CC/C(Cc1ccccc1)=N\NC(=O)c1cccnc1	12384053	BBPMOZHKYBADCQ-OBGWFSINSA-N	267.332	2.820	50	40	CFGB	
O=C(CNc1ccc(F)cc1)N/N=C/[C@@H]1CC=CCC1	4948240	JRCKEKIWVKBYFH-SGEFVQMOSA-N	275.327	2.696	50	40	CFGB	
Cc1ccc(/C(C#N)=C/c2cccc(OCC(N)=O)c2)cc1	408578791	AXOPMHDSMGMZNH-CXUHLZMHSA-N	292.338	2.923	50	40	CFGB	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)o1	5409143	ZQXUJXLESVSYTH-NSHDSACASA-N	298.346	2.827	50	40	CFGB	
O=C(CCl)Nc1cc(C2CC2)nn1-c1ccccc1	160846	LUHGBZCKARJBRO-UHFFFAOYSA-N	275.739	2.927	50	40	CFGB	
O=C(CCl)N1N=C(c2ccco2)C[C@H]1c1ccco1	4204665	OPRWTSGLXDLNBZ-JTQLQIEISA-N	278.695	2.789	50	40	CFGB	
C[C@@]1(C(=O)N/N=C/c2ccccc2)CC1(Cl)Cl	4907218	IPSDXOMLCSYKAU-BXRZMRDGSA-N	271.147	2.721	50	40	CFGB	
COC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1cccs1	23203351	LEXMACZSDOSGEC-CYBMUJFWSA-N	274.345	2.679	50	40	CFGB	
CCCCOCC1(c2nc(O)cc(CCl)n2)CC1	217795145	GCEGUXAJLOHSMX-UHFFFAOYSA-N	270.760	2.769	50	40	CFGB	
C[C@@H](Br)C(=O)Nc1ncc(C(C)(C)C)o1	72220090	FCNDKRIWVMHRBU-ZCFIWIBFSA-N	275.146	2.694	50	40	CFGB	
C#C[C@@](Cn1cncn1)(O[Si](C)(C)C)C(C)(C)C	255189005	NBSRWABODHFQIG-ZDUSSCGKSA-N	265.433	2.548	50	40	CFGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccs2)o1	566228	AFJXMWRZUCQWFZ-XNTDXEJSSA-N	291.376	2.951	50	40	CFGB	
O=C(NNC(=O)c1ccccc1Cl)c1cccc(F)c1	12020360	XOTFYNRQMRFZGK-UHFFFAOYSA-N	292.697	2.554	50	40	CFGB	
Cn1c(SCCCCl)nnc1-c1cccnc1	113697526	OZLMWITUNBVEPK-UHFFFAOYSA-N	268.773	2.598	50	40	CFGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cccc(O)c1	408958237	XYMLZMBCGVLKAG-VQXPOJFPSA-N	272.348	2.669	50	40	CFGB	
CC(C)(C)[Si](C)(C)OC[C@@H](O)CBr	196709918	DOCVQPWZNUTYRV-QMMMGPOBSA-N	269.255	2.764	50	40	CFGB	
CC(C)[C@@H](C(=O)NN)N1c2ccccc2[C@H](C)CC1(C)C	260612698	AKZTVQZNMKVISV-DOMZBBRYSA-N	289.423	2.793	50	40	CFGB	
O=C=Nc1ccc(C(=O)Nc2ccc(O)cc2)cc1	16779984	KKTYEPLNDOUHDX-UHFFFAOYSA-N	254.245	2.612	50	40	CFGB	
O=C(CCl)OCCCOCCCOc1ccccc1	1687069	FKFNXVLTZWQGHV-UHFFFAOYSA-N	286.755	2.644	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1O	6823186	CZFHGPMKRXYYTH-YRNVUSSQSA-N	259.305	2.923	50	40	CFGB	
C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1	33340848	VOSCMEYCQIBOOP-GDNBJRDFSA-N	287.275	2.650	50	40	CFGB	
N#C/C(=C/c1cccs1)C(=O)Nc1nccs1	3245120	WGUFNWHDWQOIHD-VURMDHGXSA-N	261.331	2.750	50	40	CFGB	
CC(=O)NN(C(C)=O)c1nc(-c2ccc(C)cc2)cs1	5274509	DSQGHYNZYOLBHU-UHFFFAOYSA-N	289.360	2.523	50	40	CFGB	
O=C(NNc1ccccn1)Nc1cccc(Cl)c1	9470895	PSBLFGJXQSXIJT-UHFFFAOYSA-N	262.700	2.884	50	40	CFGB	
COc1ccc2c(c1)CCC[C@@H](Br)C2=O	5493209	YVOBLRLPIJTZAI-LLVKDONJSA-N	269.138	2.978	50	40	CFGB	
CC(C)c1ccc(OCC(=O)N/N=C/c2cccnc2)cc1	59449	BBXRHMVERJRZRJ-YBFXNURJSA-N	297.358	2.734	50	40	CFGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(SC)cc1	3259557	DKDDIMZJYHOAAZ-FMIVXFBMSA-N	258.346	2.618	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2\C[C@@H]3CC[C@H]2C3)c1O	20418250	RNHVRARFPRPHMP-VGNHOVESSA-N	258.321	2.606	50	40	CFGB	
COc1cccc(C(=O)NN=C2CCCCCC2)c1O	63385865	WRKUSQDYBRHRGI-UHFFFAOYSA-N	276.336	2.841	50	40	CFGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccccn1	6571040	YRNOAVFACDMNHH-ZRDIBKRKSA-N	279.299	2.636	50	40	CFGB	
O=C=Nc1ccc2c(c1)O[C@@](F)(Cl)C(F)(F)O2	39320933	UEFNCUBHLWGVSV-MRVPVSSYSA-N	265.574	2.880	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1C	408776870	RNKPHNLMLYCRPX-RQZCQDPDSA-N	273.311	2.545	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1	101873	JBSVPRFHUOOIJB-DHZHZOJOSA-N	285.328	2.697	50	40	CFGB	
C/C(=N\NC(=O)c1cccs1)c1ccccc1O	13583894	BBKAHROJARYAAB-NTEUORMPSA-N	260.318	2.608	50	40	CFGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1O	100176931	GNLXYQYPXVSRCD-RHDXOTHVSA-N	272.348	2.669	50	40	CFGB	
C/C(=N/O)[C@@H]1C[C@H]2C=C(C#N)[C@H]1N(Cc1ccccc1)C2	104247490	WFMNNEXNOLXAEP-YSRGPKJZSA-N	281.359	2.807	50	40	CFGB	
CCOC(=O)/C(C#N)=C/[C@@H]1CCO[C@@](C)(CC)C1	2083205	WHTREOJLLJWTIG-QSMMMUJJSA-N	251.326	2.595	50	40	CFGB	
Cc1c(CC(=O)NN)c2ccccc2n1Cc1ccccc1	13445906	OIGHBWJNJORSGQ-UHFFFAOYSA-N	293.370	2.530	50	40	CFGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccco1	20194904	AHUXACFSBKAZAS-GHRIWEEISA-N	270.332	2.979	50	40	CFGB	
CCc1ccc(CC(=O)N/N=C\c2ccccc2OC)cc1	409362194	IEBTYPVBTRONOR-UYRXBGFRSA-N	296.370	2.950	50	40	CFGB	
ClCc1ccccc1-c1nn2cnnc2s1	41127471	GMSFXEFRDMRTGJ-UHFFFAOYSA-N	250.714	2.592	50	40	CFGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	6210022	DUJGFCMKIIEJDU-LFIBNONCSA-N	286.375	2.870	50	40	CFGB	
CC(C)C(=O)N(C)N(C)C(=O)Cc1cccc2ccccc12	20064366	VKQXJJHLKVEWAC-UHFFFAOYSA-N	298.386	2.870	50	40	CFGB	
O=C(N/N=C/c1cccc(O)c1)c1ccc(Cl)cc1	260357	INNKJBOLIURKQQ-CXUHLZMHSA-N	274.707	2.810	50	40	CFGB	
C=CCNC(=O)/C(C#N)=C/c1cccc(Br)c1	2682433	YSVVBEPGSQDJBI-YRNVUSSQSA-N	291.148	2.658	50	40	CFGB	
CN(NC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1	58391789	SYJFBWGYBLNJDL-UHFFFAOYSA-N	292.342	2.654	50	40	CFGB	
CCN(CC)c1ccc(-c2noc(CCl)n2)cn1	98063848	PAKLFRAMKFWUGA-UHFFFAOYSA-N	266.732	2.717	50	40	CFGB	
COc1ccc(CCCC(=O)N/N=C/c2ccco2)cc1	221426	WAWFISNKDHNLBD-SFQUDFHCSA-N	286.331	2.761	50	40	CFGB	
COc1ccc(C(=O)N/N=C2\C[C@H]3CC[C@@H]2C3)cc1OC	5527271	VYBBBOSWYNVACK-HKLAFJFVSA-N	288.347	2.610	50	40	CFGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccs1	67720	VAIWHJBXUXCDIR-CYBMUJFWSA-N	270.313	2.672	50	40	CFGB	
NNC(=O)c1ccc(OCc2ccccc2F)c(Cl)c1	216815223	RNKXFOMQRDVGRY-UHFFFAOYSA-N	294.713	2.662	50	40	CFGB	
C[C@@H]1COCCN1C(=O)CCCC[C@@H]1CCSS1	47508851	UFZLEFDAZQEDRM-VXGBXAGGSA-N	289.466	2.948	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(C)o1	5618355	NJKXBBWAVHWOAE-MHWRWJLKSA-N	260.268	2.881	50	40	CFGB	
O=C(CCl)NCc1cccc(C(F)(F)F)c1	19479094	AFWJINGUGZLWCH-UHFFFAOYSA-N	251.635	2.560	50	40	CFGB	
CC(/C=C/c1ccccc1)=N\NC(=O)Cn1nc(C)cc1C	188806	PBRVQPWFHNISIX-BXCLKCLZSA-N	296.374	2.705	50	40	CFGB	
CCCCOC(CBr)CBr	1592147	FTGFJAHVJVVXRM-UHFFFAOYSA-N	273.996	2.962	50	40	CFGB	
CN(C)c1ccc(C(=O)NN=C2CCCCC2)cc1	231834	JYPBAYVCOULZRG-UHFFFAOYSA-N	259.353	2.803	50	40	CFGB	
N#C/C(=C\c1nccn1CC(F)(F)F)c1ccccn1	96298197	JOMYCYJPPZZXRP-JXMROGBWSA-N	278.237	2.905	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2\C[C@H]3CC[C@@H]2C3)c1O	20418247	RNHVRARFPRPHMP-SGVFRHMUSA-N	258.321	2.606	50	40	CFGB	
CN(C[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)CCl	79393686	CAJHOOOVBLVYBO-HNNXBMFYSA-N	294.826	2.596	50	40	CFGB	
NNC(=O)c1ncoc1-c1ccc(-c2ccccc2)cc1	226101288	NGQNMWOMSLEYBB-UHFFFAOYSA-N	279.299	2.612	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2ccc(O)cc2)c(C)n1C1CC1	3420520	POYIUIQVPFFNQR-VCHYOVAHSA-N	297.358	2.909	50	40	CFGB	
Cc1cccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1	33319301	SJLXKMGJDCTZFB-YBEGLDIGSA-N	283.287	2.667	50	40	CFGB	
CCn1c(CCCCl)nc2cc(C(=O)O)ccc21	225297031	SVQMLNDQIFRMFZ-UHFFFAOYSA-N	266.728	2.926	50	40	CFGB	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccccc1	5666403	NAEMRRRYBSQVFH-LSDHHAIUSA-N	297.314	2.842	50	40	CFGB	aggregator
C[C@@H](Cl)C1OC([C@@H](C)Cl)OC([C@@H](C)Cl)O1	2382628	XTQUGQZRFTWKFM-IKSBRSHUSA-N	277.575	2.910	50	40	CFGB	
CNP1(NC)=NP(N)(N)=NP(Cl)(Cl)=N1	104361445	HHDQRIQNUPLZLN-UHFFFAOYSA-N	297.995	2.672	50	40	CFGB	
O=C(Nc1ccc(F)cc1)c1nnc(CCl)s1	12505841	YZFCHYFTMRSWLU-UHFFFAOYSA-N	271.704	2.668	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)cc1OC	408807451	CMFVYCCYOXMMGG-ZWSXMNCCSA-N	288.347	2.525	50	40	CFGB	
O=C(NN=C1CCCC1)c1ccc(Br)o1	4109726	AYZRZXVCIJVJGG-UHFFFAOYSA-N	271.114	2.702	50	40	CFGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccco2)cc1	4131017	XNNRUEMTNSDFLU-LFIBNONCSA-N	272.304	2.832	50	40	CFGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(C)=O)cc1OC	409374880	AWHLNSOTNVGFPA-VKPPLCHCSA-N	298.770	2.996	50	40	CFGB	
C[P@@](=O)(OCCCl)N(CCCl)CCCl	1687437	NWFBVEHESCFDDZ-CQSZACIVSA-N	282.535	2.844	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1	485153	VEQZJIBUQPDYHX-UHFFFAOYSA-N	288.734	2.723	50	40	CFGB	
CN(C)P(N)(Cl)(c1ccccc1)c1ccccc1	104094939	ZJWDOEOUPSIZCM-UHFFFAOYSA-N	280.739	2.695	50	40	CFGB	
COCCNC(=O)/C(C#N)=C/c1cccc2ccccc12	3252370	KBUHACPEWZPBRN-RVDMUPIBSA-N	280.327	2.509	50	40	CFGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1	3576679	KXMOJIORKPPLNP-CXUHLZMHSA-N	299.286	2.715	50	40	CFGB	
N#CC(C#N)=CN[C@@H](c1ccccc1)c1ccncc1	13143789	USGWLBDYKLFYMZ-INIZCTEOSA-N	260.300	2.692	50	40	CFGB	
COc1ccc(C2=NO[C@@H](CBr)C2)cc1	217843344	NBGHMDFWNOZPLO-SNVBAGLBSA-N	270.126	2.583	50	40	CFGB	
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccccn1	13110521	ANVFTVYZRBNRQR-YBFXNURJSA-N	278.315	2.717	50	40	CFGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)C1[C@H]2CCCC[C@@H]12	362709	CLCUOMFYLGWDBT-FUNVUKJBSA-N	261.277	2.936	50	40	CFGB	
O=C(COc1ccc(Cl)cc1)NN=Cc1ccccc1	11582530	SXVAUSGNZCCPIJ-UHFFFAOYSA-N	288.734	2.869	50	40	CFGB	
Cc1csc(/C(C#N)=C/Nc2ccccc2CO)n1	102882075	DLCVEUQDFJRNNX-KPKJPENVSA-N	271.345	2.920	50	40	CFGB	
C/C(=N\NC(=O)COc1cccc(C)c1C)c1ccco1	4673449	RVSLVVBFJSBCRU-GHRIWEEISA-N	286.331	2.816	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1	4690760	NMSSPLZQTHVKRR-WEVVVXLNSA-N	296.120	2.625	50	40	CFGB	
CCOC(=O)[C@H](NCCCCl)c1ccccc1	19949785	HNJBTPFSBJHJFW-GFCCVEGCSA-N	255.745	2.509	50	40	CFGB	
Br[C@H]1[C@H]2CC[C@H](C2)[C@H]1Br	78279935	IZDDPSZQOJBKGK-UMRXKNAASA-N	253.965	2.943	50	40	CFGB	
O=C(Cl)c1n[nH]c2ccc(Br)cc12	89157359	PVDAKLPTZHISFM-UHFFFAOYSA-N	259.490	2.704	50	40	CFGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1O	5677716	GNLXYQYPXVSRCD-MMQKMFQISA-N	272.348	2.669	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	6316743	UPGQABOHMFMLPD-LICLKQGHSA-N	297.314	2.976	50	40	CFGB	
C=CCC/C(C)=N\NC(=O)c1ccccc1[N+](=O)[O-]	4535060	FECSFYVMPFYBOB-UVTDQMKNSA-N	261.281	2.667	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)[C@@H]1C[C@H]2CC[C@@H]1C2	5621195	FENJDODVLIIMQQ-JMGVUAMYSA-N	272.348	2.934	50	40	CFGB	
COc1cccc(N(CCCl)CCCl)c1OC	1769237	JMCCVSKJZKUSTH-UHFFFAOYSA-N	278.179	2.988	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc2c(cc1C)OCO2	408798848	GCLJXTXZPDRIOX-HOVAHTAHSA-N	286.331	2.545	50	40	CFGB	
CC(C)CC(=O)N/N=C/c1ccc(N2CCCCC2)o1	408992224	QVMBSZWYXGMVAX-LFIBNONCSA-N	277.368	2.766	50	40	CFGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccoc1	373918	PKCKTVIPIBAWEV-XYOKQWHBSA-N	268.272	2.834	50	40	CFGB	
CC/C(C)=N/NC(=O)CSCc1ccc([N+](=O)[O-])cc1	5302165	GOSAPGQHDRTLJJ-GXDHUFHOSA-N	295.364	2.730	50	40	CFGB	
COc1ccc2[nH]c(C(=O)NNc3ccccc3)cc2c1	13858080	FNYYKWBESVIGQQ-UHFFFAOYSA-N	281.315	2.933	50	40	CFGB	
O=C(O)CCc1cccc(N(CCCl)CCCl)c1	1672705	DZZLSUVOCHEQJL-UHFFFAOYSA-N	290.190	2.988	50	40	CFGB	
CC[C@H](Br)C(=O)OCc1ccccc1	4411367	IAWWKWVHVUNYFP-JTQLQIEISA-N	257.127	2.903	50	40	CFGB	
CSC1=C(C#N)[C@]2(CCC[C@@H](C)C2)[C@H](C#N)C(=O)N1	102413821	YNAVOJRYHMGRRQ-RULNRJAQSA-N	275.377	2.551	50	40	CFGB	
CO[C@]12CCCC[C@]1(C)C(C#N)(C#N)C(C#N)=C(Cl)N2	35323788	CDRJQCYJRGLIRI-TZMCWYRMSA-N	290.754	2.520	50	40	CFGB	
C/C(=N/NC(=O)COc1cc(C)ccc1C)c1ccco1	13943965	GZQATYCTSBTEME-LGMDPLHJSA-N	286.331	2.816	50	40	CFGB	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccn1	5620967	NANIKOANJFBFNF-GNVFRLJNSA-N	279.343	2.726	50	40	CFGB	
COc1cc(Cl)c([N+](=O)[O-])cc1C(=O)Cl	45957431	CXRQOZXXIMDHFZ-UHFFFAOYSA-N	250.037	2.636	50	40	CFGB	
CC(C)CCc1ccc(C(=O)NN)n1Cc1ccccc1	226025261	FDSZBOBWXQZMEZ-UHFFFAOYSA-N	285.391	2.729	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)cs1	42557	BWZKDBXRVLFPAW-XVNBXDOJSA-N	286.150	2.981	50	40	CFGB	
C=CCn1cc/c(=N\C=C(C#N)C#N)c2ccccc21	100673218	BKTRLKZUZALVQY-XDJHFCHBSA-N	260.300	2.659	50	40	CFGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c(C)[nH]1	7281305	KWNFARBWCYLCSX-GIJQJNRQSA-N	299.374	2.777	50	40	CFGB	
COc1cc(/C=C(/C#N)C(N)=S)ccc1OCC(C)C	408542655	KMGIMRKMWSEIKG-SDQBBNPISA-N	290.388	2.923	50	40	CFGB	
O=C(Cc1cccc2ccccc12)NNC(=O)C1CCCC1	9893976	GKLPUAXPUGLWDV-UHFFFAOYSA-N	296.370	2.720	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)cc1	258406	KCRSAJBTQBDRMS-GXDHUFHOSA-N	254.333	2.961	50	40	CFGB	
O=C(N/N=C/c1ccncc1)c1csc2c1CCCC2	2767454	JUMQTJFRRDADMY-RQZCQDPDSA-N	285.372	2.786	50	40	CFGB	
O=C(N/N=C1\C[C@@H]2CC[C@@H]1C2)c1ccc(Br)o1	102205074	ROKUKPSEVFONKG-RFYXKVAJSA-N	297.152	2.948	50	40	CFGB	
CCSC1=C(C#N)[C@@H](c2ccccc2)C(C#N)=C(N)N1	14671773	YYNSAFZKYCZTGK-ZDUSSCGKSA-N	282.372	2.556	50	40	CFGB	
I[C@@H]1CCN(Cc2ccccc2)C1	79436717	XWXLLPYOPPIZGB-LLVKDONJSA-N	287.144	2.696	50	40	CFGB	
CC(C)N(Cc1ccc(C#N)cc1)C(=O)CCl	79420487	FRGAJEYUIWYBOO-UHFFFAOYSA-N	250.729	2.534	50	40	CFGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1)OCO3	40287506	ZJRBNMGKMNDTLD-MRXNPFEDSA-N	292.294	2.633	50	40	CFGB	
C[C@H]1[C@H](Br)C(O)=NC(=O)N1Cc1ccccc1	1683916	YCSSNQMQIYSIJL-WPRPVWTQSA-N	297.152	2.731	50	40	CFGB	
O=C(NN=C1CCCCC1)NN=C1CCCCC1	5566692	LFEPNCLITCQCAU-UHFFFAOYSA-N	250.346	2.926	50	40	CFGB	
COc1ccccc1/C=N\NC(=O)c1ccc(F)cc1	13838041	JGHFCEXNAZLJBI-YVLHZVERSA-N	272.279	2.598	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1cc(OCC)ccc1OCC	42459	OZQHEKJWMBMSGW-UKTHLTGXSA-N	289.331	2.954	50	40	CFGB	
N#C/C(=C/c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1	17008915	HHNYCBKYUXGGCC-NTMALXAHSA-N	283.243	2.733	50	40	CFGB	
CCCCCCCCC(=O)NN=C1CCN(C)CC1	102062207	OVHMDWKYXLBKNH-UHFFFAOYSA-N	267.417	2.935	50	40	CFGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccco1	2744144	LJWPCPOOPCKESJ-PKNBQFBNSA-N	268.272	2.834	50	40	CFGB	
O=C(Cl)c1nnc2sc(-c3ccc(Cl)cc3)nn12	57338999	KLFMDXCARCIUEC-UHFFFAOYSA-N	299.142	2.885	50	40	CFGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1C	143324	MQNGEXLLWBJZFU-HNNXBMFYSA-N	268.316	2.666	50	40	CFGB	
COC(=O)N/N=C(\C)c1ccc2cc(OC)ccc2c1	6312292	RNZFHIPSHUPPNQ-MHWRWJLKSA-N	272.304	2.928	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1C	48110	GWQMAAFAFCEWTA-WOJGMQOQSA-N	282.343	2.833	50	40	CFGB	
CC[C@H]1CN1P(=O)(N(CC)CC)N1C[C@@H]1CC	104371443	GLCAMPNBWWCDIH-RZTSDLSZSA-N	259.334	2.625	50	40	CFGB	
CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)OC(=O)[C@@H]12	100083316	XLYXLZREVVUOAS-BWRBCVJASA-N	290.318	2.767	50	40	CFGB	
COc1ccc(N/C=C2/C(=O)OC(=O)c3ccccc32)cc1	103032228	DRCFXUMQCRWFCY-XNTDXEJSSA-N	295.294	2.845	50	40	CFGB	
COc1ccc2c(c1)CCCN2C(=O)[C@@H](C)Cl	37391905	XRKFZMNQBLGZRS-SECBINFHSA-N	253.729	2.602	50	40	CFGB	
CC(C)[C@H](NC(=O)CCl)c1ccc2c(c1)OCCCO2	4207304	XMUMZMQOEWGUCN-HNNXBMFYSA-N	297.782	2.900	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Cl	4506775	QWMFJOKAEKNMGU-BJMVGYQFSA-N	293.710	2.680	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(N(C)C)cc1	5936273	WVQWGFZQQFDKDJ-MHWRWJLKSA-N	287.388	2.886	50	40	CFGB	
CCCSC1=C(C#N)[C@@H](c2ccc(O)cc2)CC(=O)N1	8973462	KKADXXPLCAKGKV-GFCCVEGCSA-N	288.372	2.874	50	40	CFGB	
O=C(N/N=C\c1cccn1-c1ccccc1)c1ccco1	408856181	JDVLJOUGWOLOCD-ATVHPVEESA-N	279.299	2.834	50	40	CFGB	
Cc1ccc(NC(=O)[C@H](C)I)cc1	72226330	LJVBGEUPVLHJTF-QMMMGPOBSA-N	289.116	2.757	50	40	CFGB	
C[C@@H](Br)C(=O)c1ccc2c(c1)CCC(=O)N2	34962683	LJJPTQNZBAIGAX-SSDOTTSWSA-N	282.137	2.537	50	40	CFGB	
C[C@H](SC#N)C(=O)c1cc(Br)ccc1O	5527811	QWVXAVKLOOJNKD-LURJTMIESA-N	286.150	2.940	50	40	CFGB	
N#C/C(=C/c1ccc[nH]1)C(=O)N1CCc2ccccc2C1	6243446	XSTNGCOZFPROBK-GDNBJRDFSA-N	277.327	2.507	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	3091659	BNBZQSVASXKGLA-LDADJPATSA-N	281.359	2.825	50	40	CFGB	
Cc1cc2c(c(=O)o1)[C@@H](C1CCCCC1)C(C#N)=C(N)O2	42814	RVFYTUIZCQNJEY-ZDUSSCGKSA-N	286.331	2.698	50	40	CFGB	
COc1ccc([C@H]2C(C#N)=C(N)Nc3oc(C)nc32)cc1C	125738	RZIRHVJGQKVAFB-ZDUSSCGKSA-N	296.330	2.551	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2cccs2)c(O)c1	409391718	KXOGYQQJTWOQII-OQLLNIDSSA-N	290.344	2.616	50	40	CFGB	
Cn1cccc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	35304083	XUDBRPFMUFPZLZ-LUAWRHEFSA-N	269.279	2.710	50	40	CFGB	
O=C(CCCl)Nc1cccc(OC(=O)CCCl)c1	1690140290	WHOCEENAVAJUSX-UHFFFAOYSA-N	290.146	2.788	50	40	CFGB	
CCOC(=O)c1sc(NC(C)=O)c(SC#N)c1C	36629940	IZSIICBPOFJXRX-UHFFFAOYSA-N	284.362	2.765	50	40	CFGB	
CN(C)c1ccc(C(=O)N/N=C2/C[C@H]3CC[C@H]2C3)cc1	103623258	WSPOVTPLKHUSIO-XMPKOVAPSA-N	271.364	2.658	50	40	CFGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(N)=O)cc1OC	8120592	VQBUJDVKOKMVPJ-BJMVGYQFSA-N	294.738	2.530	50	40	CFGB	
CCC(=O)Nc1ccc(NC(=O)CCl)cc1C	379446	YWBVUTMEVIIWMK-UHFFFAOYSA-N	254.717	2.521	50	40	CFGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1cccnc1	103157065	LORHZZVWZDYJHW-AHMGIAEWSA-N	269.348	2.790	50	40	CFGB	
CCOC(=O)c1ccc2c(c1)nc(CCl)n2CC	62131876	PXRVOZHNWNUYRD-UHFFFAOYSA-N	266.728	2.972	50	40	CFGB	in-vitro
Cc1cc(C(=O)NNC(=S)Nc2ccccc2)cs1	6572527	LKTGZILZPBQLRW-UHFFFAOYSA-N	291.401	2.688	50	40	CFGB	
Cc1ccc(O)c(/C=N/NC(=O)c2ccccc2F)c1	4679772	AOJZMOKLKOOPJP-RQZCQDPDSA-N	272.279	2.604	50	40	CFGB	
CCSC1=C(C#N)[C@@H](c2cccc(OC)c2)CC(=O)N1	9089030	ZWKMMUCSKFRVFE-GFCCVEGCSA-N	288.372	2.787	50	40	CFGB	aggregator
CC(C)(C)OC(=O)N1CCCC[C@@H](Br)C1=O	98213720	DMCYBVCCGFTNNH-MRVPVSSYSA-N	292.173	2.698	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1C	408772480	LYHDHBNLHUVGOI-RQZCQDPDSA-N	273.311	2.545	50	40	CFGB	
Cc1[nH]c2c(F)cccc2c1CCNC(=O)CCl	98086793	PVIUWHIFEHHJMJ-UHFFFAOYSA-N	268.719	2.513	50	40	CFGB	
CCCCC(=O)N/N=C/C=C\c1ccccc1[N+](=O)[O-]	17424267	LROABCXZTALKMX-DIASDXIDSA-N	275.308	2.900	50	40	CFGB	
N#Cc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	266404	RWCCRAQPSJUEMH-VCHYOVAHSA-N	283.718	2.976	50	40	CFGB	
CC[C@H]1CCCCN1C(=O)[C@H](Br)CC	32919615	HPIFPOOZFCOCLA-VHSXEESVSA-N	262.191	2.951	50	40	CFGB	
CN1CCN(C2=CC3=CC(=C(C#N)C#N)CC[C@@H]3CC2)CC1	22036148	MHCVZRUTNUXSRL-CQSZACIVSA-N	294.402	2.592	50	40	CFGB	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	42037609	NTMUUBGTTLEOTM-NEPJUHHUSA-N	289.466	2.948	50	40	CFGB	
O=C(NN=C(CCl)CCl)c1ccccc1Cl	100244241	JOEAHZMXHMAFEP-UHFFFAOYSA-N	279.554	2.903	50	40	CFGB	
O=C1OC(=O)[C@@H]2[C@H]3CCCC[C@@H]3[C@@H]3CCCC[C@@H]3[C@@H]12	104288986	TXZFDXCATILDFU-XNBXPENISA-N	262.349	2.929	50	40	CFGB	
CC/C(=N\NC(=O)c1ccccc1OC)c1ccc(O)cc1	5385028	UMDUAYMCDNYJNZ-OBGWFSINSA-N	298.342	2.945	50	40	CFGB	
CC(C)(C)n1c(=O)c2ccccc2n2c(CCl)nnc12	408712854	XBQOLXRWWPKNDT-UHFFFAOYSA-N	290.754	2.538	50	40	CFGB	
CN(C)c1ccc(/C=N\NC(=O)c2ccccc2)cc1	31719329	DWXAPYADWDBIII-ATVHPVEESA-N	267.332	2.517	50	40	CFGB	
Cc1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1Cl	45952528	SHLPKEYXIOGARY-MRVPVSSYSA-N	272.131	2.767	50	40	CFGB	
N#C/C(=C\c1ccc[nH]1)C(=O)NC1CCCCCC1	331516	WYWBLFCKMYMORU-ZRDIBKRKSA-N	257.337	2.761	50	40	CFGB	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(N)cc1	14922157	UTJKYRAPRVJEJK-QWSZEGLUSA-N	293.370	2.913	50	40	CFGB	
C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccccc1O	16671275	QOHHYULPHVTKDG-CPNJWEJPSA-N	297.358	2.653	50	40	CFGB	
CO[C@@]1(C)OO[C@@](C)(O)C12[C@@H]1CC[C@@H]2c2ccccc21	101049725	SBLJMFQAJJHXCN-TUVASFSCSA-N	276.332	2.681	50	40	CFGB	
COC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	3609377	XVOAEAFIFHWOME-RIYZIHGNSA-N	289.247	2.545	50	40	CFGB	
CC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1	20243986	MZANVSRGFYYKCF-LFIBNONCSA-N	254.289	2.949	50	40	CFGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CC#N)c1C	96402150	QGYWUZSYKOLKAG-HMHNVIDESA-N	298.390	2.840	50	40	CFGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1	29107760	UHSHHFAAVSRUPA-FMIVXFBMSA-N	296.282	2.612	50	40	CFGB	
CC/C(C)=N\NC(=O)CSc1nc2ccccc2o1	4719034	CZOTXPGDEWKLCI-DHDCSXOGSA-N	277.349	2.822	50	40	CFGB	
Cc1cc(C(=O)N/N=C2/C[C@H]3C=CC[C@H]23)ccc1[N+](=O)[O-]	5536533	WMVXJPQTXNTPMV-FZCVSMTESA-N	285.303	2.585	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1cc(Cl)ccc1Br	96429858	QFKUQYORCFURMW-XBXARRHUSA-N	299.555	2.755	50	40	CFGB	
CC/C(C)=N/NC(=O)CSCc1ccccc1	408719430	PCIIDVZBXYTWML-SDNWHVSQSA-N	250.367	2.822	50	40	CFGB	
C=C1CC(C(=O)N/N=C/c2c(O)ccc3ccccc23)C1	408718204	AOVLZQHJVWCQOE-VCHYOVAHSA-N	280.327	2.962	50	40	CFGB	
CC[C@H](Cl)C(=O)Nc1cnn(CCCCF)c1	96509050	SWKWJFBLHMILSC-JTQLQIEISA-N	261.728	2.589	50	40	CFGB	
CCC(CC)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	115442	HSCQKUGRELFSON-CYBMUJFWSA-N	260.337	2.770	50	40	CFGB	
COCCCNC(=O)N/N=C1/C[C@@H](C)CC[C@@H]1C(C)C	102119199	LMMXAUBSWAGYAR-LSWRPLHASA-N	283.416	2.770	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc(F)cc2)cc1	512787	ZSTYTELCIIUBMK-IZZDOVSWSA-N	298.317	2.609	50	40	CFGB	
CC1(C)CC(=O)C/C(=N\NC(=O)C2CCCCC2)C1	100013845	QJQAAGHHLXZUIM-FOWTUZBSSA-N	264.369	2.818	50	40	CFGB	
N#C/C(=C/c1ccco1)C(=O)Nc1ccc(C(=O)O)cc1	3339349	GWNGMASANMGYMX-FLIBITNWSA-N	282.255	2.523	50	40	CFGB	
O=C(CCl)NCC1(N2CCCCC2)CCCCC1	8037277	QURAHICPUHYPRO-UHFFFAOYSA-N	272.820	2.530	50	40	CFGB	
Cc1occc1C(=O)NNC(=O)c1oc2ccccc2c1C	5273162	SHLGQYZGFPTNDK-UHFFFAOYSA-N	298.298	2.717	50	40	CFGB	
CCC/C=N/NC(=O)c1ccc(Br)cc1	5455306	GSUFQGWWVPRRTJ-MDWZMJQESA-N	269.142	2.965	50	40	CFGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(N)=O)o1	33303901	DZAKGCORYFAQBX-POHAHGRESA-N	297.270	2.556	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/[C@H]2C[C@@H]3C=C[C@@H]2C3)cc1	225605031	HHDYTLZRTTYXIY-ZEFUEXOISA-N	284.359	2.552	50	40	CFGB	
C[C@]1(C(Br)Br)C=CC=CC1=O	98045007	JGKSOYGPJNPDMO-QMMMGPOBSA-N	279.959	2.804	50	40	CFGB	
ClC[C@H]1CN2Cc3ccccc3-n3cccc3[C@H]2O1	260746662	DJDGMYSQBZOTRH-SWLSCSKDSA-N	274.751	2.929	50	40	CFGB	
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H]1CBr	606301350	JYLQTSMQJJFJIY-JGVFFNPUSA-N	282.153	2.729	50	40	CFGB	
O=C(CN1CCCc2ccccc21)N/N=C/c1ccccc1	4140075	QLCMOIXVRLCDSZ-CPNJWEJPSA-N	293.370	2.590	50	40	CFGB	
Cc1ccc(SCC(=O)N/N=C/c2ccncc2)cc1	8515590	OHLOIMCPRITLPM-LICLKQGHSA-N	285.372	2.632	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc(Br)o2)o1	525134	WLDFFUYGWOESIO-AWNIVKPZSA-N	297.108	2.707	50	40	CFGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccncc1	212117686	MDOOCTIEEFDVMZ-UVTDQMKNSA-N	263.300	2.936	50	40	CFGB	
O=C(NNc1ncccn1)c1sccc1-c1ccccc1	44716637	WHTAFMQRRVHCPO-UHFFFAOYSA-N	296.355	2.962	50	40	CFGB	
CCc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)cc1	492822	FVORLQORQIBCAE-HNNXBMFYSA-N	298.342	2.504	50	40	CFGB	
O=C1OC(=O)c2ccccc2/C1=C\Nc1cccc(O)c1	103324210	DVAKKICMZRXAOF-NTEUORMPSA-N	281.267	2.542	50	40	CFGB	
C/C(=N\NC(N)=O)c1ccc(-c2ccccc2)cc1	4579355	NKRRBQLJIIRTRD-GZTJUZNOSA-N	253.305	2.746	50	40	CFGB	
CCOC(=O)c1ccccc1OCCBr	26522356	CFOPLYVFYXLIRK-UHFFFAOYSA-N	273.126	2.637	50	40	CFGB	
Fc1ccc(Br)c(CBr)n1	96028881	OUDZJPMBBZRKCP-UHFFFAOYSA-N	268.911	2.878	50	40	CFGB	
CC(C)(C)[Si](C)(C)OCCC1CCN(N)CC1	206349254	HGPABOZSJSBDDY-UHFFFAOYSA-N	258.482	2.984	50	40	CFGB	
C[C@@H](Cl)C(=O)Nc1nnc(-c2ccccc2)s1	4079009	URBGBDSONZTQIN-SSDOTTSWSA-N	267.741	2.771	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(O)c(O)c1)c1ccc(C)cc1	288718	ZODKHCBTEXKQQK-GZTJUZNOSA-N	284.315	2.560	50	40	CFGB	
Cc1cc(C)cc(N(CCC#N)C(=O)CCl)c1	3277944	BYWYEBONAMUZGE-UHFFFAOYSA-N	250.729	2.789	50	40	CFGB	
O=C(CCl)NCc1cccc(Cl)c1Cl	79420740	KHAAHPMRFJVUQZ-UHFFFAOYSA-N	252.528	2.848	50	40	CFGB	
O=C(Nc1ccc(Cl)cn1)c1nccnc1CCl	77285694	REKILMQTMQTBPW-UHFFFAOYSA-N	283.118	2.516	50	40	CFGB	in-vitro
O=[N+]([O-])c1ccc2nc(CBr)oc2c1	226240883	SMTHXULRXWLMMK-UHFFFAOYSA-N	257.043	2.631	50	40	CFGB	
CCO/C=C1\N=C([C@@H](Cl)c2ccccc2)OC1=O	16957390	UCDJNAAUMIQNQM-IEHMKBBKSA-N	265.696	2.800	50	40	CFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)[C@@H]1C[C@@H]1c1ccccc1	16991061	YHEIMBVHBHKWFQ-SCGDCIACSA-N	266.344	2.858	50	40	CFGB	
CO[C@@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccccc1	4481821	SVJGIPSBCMGCES-STBIIMGESA-N	294.354	2.699	50	40	CFGB	
Cc1nn(-c2ccccc2Cl)nc1C(=O)Cl	57353053	JHVOIESMVWMIBT-UHFFFAOYSA-N	256.092	2.608	50	40	CFGB	
C=CCN1C(=O)C(=C(C#N)C#N)c2cc(Cl)ccc21	1320725	APTWFRSLPJBPIV-UHFFFAOYSA-N	269.691	2.673	50	40	CFGB	
CCC/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	4859775	ISYHXHPIUJJMTF-XMHGGMMESA-N	296.370	2.825	50	40	CFGB	
N#C/C(=C/c1ccoc1)C(=O)NCCCc1ccccc1	409245325	QWXFJNCUBNRBBL-WJDWOHSUSA-N	280.327	2.936	50	40	CFGB	
CC1=C(C#N)[C@H](c2ccsc2)c2nc(N)oc2N1	5791535	XDAQDOIUSLWINE-VIFPVBQESA-N	258.306	2.673	50	40	CFGB	
C[C@@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	5446609	YCFSQPKOKLUQBO-RXMQYKEDSA-N	263.080	2.814	50	40	CFGB	
CO[C@]12CC[C@@H](C(C)(C)C)CC1=C(C#N)C(C#N)=C(N)O2	96336593	VRGACUCQYZATBY-HWPZZCPQSA-N	287.363	2.720	50	40	CFGB	
COc1ccc(Cl)cc1/C=N/NC(=O)c1cccnc1	58430	APWIMMGOGQJIEH-RQZCQDPDSA-N	289.722	2.508	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)COc2ccccc2)s1	498303	NQAHTEGCAOJHNI-OQLLNIDSSA-N	274.345	2.586	50	40	CFGB	
CCOc1ccc(CC(=O)N/N=C/c2ccccc2)cc1	10475811	DIEACDQNMROTNB-QGOAFFKASA-N	282.343	2.778	50	40	CFGB	
CCOC(=O)Cn1cc(C=C(C#N)C#N)c2ccccc21	916058	BOZHTBDDFDKTTD-UHFFFAOYSA-N	279.299	2.635	50	40	CFGB	
COc1cccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)c1	59371296	HCASRRYNJKZOES-IQFISFIMSA-N	298.342	2.533	50	40	CFGB	
CN(C)/C=C1/OC(=O)C(C#N)=C1c1ccc(Cl)cc1	100255489	WVPVOFWFIWRJMZ-XYOKQWHBSA-N	274.707	2.577	50	40	CFGB	
O=C1CCc2ccc(OCCCBr)cc2N1	21992122	GRBHZWUWWCMUNU-UHFFFAOYSA-N	284.153	2.735	50	40	CFGB	
O=C(N/N=C\c1cccc(F)c1)Nc1ccccc1	136948840	JEPXXLLTVGPNLU-YBEGLDIGSA-N	257.268	2.981	50	40	CFGB	
Cc1ccc2oc(=O)c(C(=O)NNc3ccccc3)cc2c1	98086480	BMSWKNICXRJPHI-UHFFFAOYSA-N	294.310	2.858	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)s1)c1ccc(O)cc1	5672581	JRJBCCRDYVODIY-VGOFMYFVSA-N	280.736	2.871	50	40	CFGB	
COc1cc(/C=C(\C#N)c2ccccn2)cc2c1OCO2	9154060	ZQIRGHYQCALYSD-WUXMJOGZSA-N	280.283	2.883	50	40	CFGB	
CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OC(C)C	409011647	GXYHOZQXKLQRGT-LZYBPNLTSA-N	298.770	2.996	50	40	CFGB	
Cc1cccc(C(=O)N/N=C\c2ccc(N(C)C)cc2)c1	33295950	PFNWREFIMCWEAT-PDGQHHTCSA-N	281.359	2.825	50	40	CFGB	
COC(=O)[C@H]1[C@@H]2CC[C@@]1(C)[C@@]2(C)CBr	218262697	CDSWKWSLJZFMRL-URPMGSGRSA-N	261.159	2.607	50	40	CFGB	
Nc1ccccc1C(=O)N/N=C\C=C\c1ccccc1	12340201	MXIIABZXYDCGIV-YKYHQJSKSA-N	265.316	2.698	50	40	CFGB	
N#CC(C#N)=Cc1cccn1-c1ccc(C(=O)O)cc1	810169	OMBAOAULKBEWOE-UHFFFAOYSA-N	263.256	2.606	50	40	CFGB	
CC(C)[C@@H](NC(=O)NCCCl)c1ccccc1	1614966	ASGZEECDFQVKNK-GFCCVEGCSA-N	254.761	2.922	50	40	CFGB	
Cc1ccc(C(=O)N(CCCl)CCCl)cc1	1694374	KZRILKYACWYDPK-UHFFFAOYSA-N	260.164	2.915	50	40	CFGB	
N#C/C(=C1\CCCCCN1)c1nc2ccccc2[nH]1	101272858	OEODOCTWHVAGMW-QXMHVHEDSA-N	252.321	2.961	50	40	CFGB	
C[C@@]12CC[C@@H](CC13OCCO3)[C@@]2(C)CBr	4285575	ZFQSVMJONXGVIO-AXFHLTTASA-N	275.186	2.951	50	40	CFGB	
CCOc1ccc(/C(C)=N\NC(=O)c2ccncc2)cc1	4705978	YRKJDSHADSLHDZ-PDGQHHTCSA-N	283.331	2.634	50	40	CFGB	
CP1C[C@H](Br)[C@H](Br)C1	100189233	OZJBEFRJSJPDFT-WSUMQKFRSA-N	259.909	2.639	50	40	CFGB	
CC1(C)CC(=O)[C@@H](C(=O)/C=C/c2ccco2)C(=O)[C@H]1Cl	104832592	NNZWVGFLAYKQKT-HGIUVPSYSA-N	294.734	2.654	50	40	CFGB	
N#C[C@H](C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1	409199701	JCDBJMKBFULPBE-BKQORJHRSA-N	281.290	2.583	50	40	CFGB	
N#C/C(=C\c1ccc(C(=O)O)cc1)c1ccccn1	5865942	HBNACOYTOJVRME-UKTHLTGXSA-N	250.257	2.844	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(O)cc2)cc1C	408568914	XLXRCEPVRSVWKP-WOJGMQOQSA-N	282.343	2.702	50	40	CFGB	
COc1ccc2[nH]cc(/C=C3/C(=O)ON=C3CCl)c2c1	34926738	JFSVLRXWAOOMRK-NYYWCZLTSA-N	290.706	2.712	50	40	CFGB	
Cc1occc1C(=O)N/N=C/C=C\c1ccccc1[N+](=O)[O-]	12732514	SFYMFDYYDBPCPJ-MWPQJANJSA-N	299.286	2.925	50	40	CFGB	
CC(C)c1ccccc1NC(=O)CCNC(=O)[C@H](C)Cl	15423165	OULCVBBOXRSAKA-NSHDSACASA-N	296.798	2.882	50	40	CFGB	
COc1cc(NC(=O)CCCl)c2ncccc2c1OC	1664027	VRXNDJZMVURTFW-UHFFFAOYSA-N	294.738	2.819	50	40	CFGB	
O=C(O)[C@H](Br)[C@@H](Cl)c1ccccc1	1685705	WWFTTYIPIVLPFP-SFYZADRCSA-N	263.518	2.815	50	40	CFGB	
NNC(=O)c1ccc([C@H]2C[C@H]2c2ccccc2)cc1	494375	NCCXTIMHSSGUEJ-LSDHHAIUSA-N	252.317	2.561	50	40	CFGB	
CCOC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1	13399612	NTWSIYWETNCLJO-HJWRWDBZSA-N	250.685	2.722	50	40	CFGB	
Fc1cccc2c1O[C@@H](CI)C2	218743263	GEIZLJUURXNQSH-SSDOTTSWSA-N	278.064	2.564	50	40	CFGB	
CCOC(=O)N/N=C\c1ccc(OCC)c(OCC)c1	31687225	MZUBHDJKOPNTQD-GDNBJRDFSA-N	280.324	2.564	50	40	CFGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(O)c1	4964918	YJUPDVAOGVPEBO-HAIRLQBDSA-N	284.359	2.994	50	40	CFGB	
CCOc1cc(/C=N/NC(N)=O)cc(Cl)c1OC(C)C	370315	HKXGGGDIJVTCKL-FRKPEAEDSA-N	299.758	2.528	50	40	CFGB	
ClCc1cn(-c2ccc(Br)cc2)nn1	52225268	DLBMQNOVSKGAOV-UHFFFAOYSA-N	272.533	2.769	50	40	CFGB	
COc1ccc(C2=NC[C@@H](CBr)S2)cc1	3379285	HBOKCXDFZREDOY-SNVBAGLBSA-N	286.194	2.952	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c1	408778296	SDYXBYRZUHQULR-LICLKQGHSA-N	297.314	2.976	50	40	CFGB	
O=C(CCl)Nc1nc2cc3c(cc2s1)OCCCO3	95348459	LXGDMWWDRBYQGQ-UHFFFAOYSA-N	298.751	2.635	50	40	CFGB	in-vitro
O=P1(O)c2ccccc2CSCc2ccccc21	1870342	HKHKQFVKKHWQJR-UHFFFAOYSA-N	276.297	2.655	50	40	CFGB	
N#CC1=C2SCCCN2C(=O)[C@@H](C#N)C12CCCCC2	3246050	DRQOYSSOQHIEDM-LLVKDONJSA-N	287.388	2.791	50	40	CFGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccccc2F)c1	2654562	SYHIEICQBFXOKW-WOJGMQOQSA-N	285.322	2.656	50	40	CFGB	
CC(C)N1CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1	55008973	PIFWPRBCBNFPIV-UHFFFAOYSA-N	298.390	2.758	50	40	CFGB	
O=C(N/N=C/c1ccccc1)c1ccc2ccccc2n1	1500941	CJULNTWWLVOPQN-LDADJPATSA-N	275.311	2.999	50	40	CFGB	
O=C(N/N=C1/CCSc2c(F)cccc21)C1CC1	96297731	HYHNGRZKHBWZOK-PTNGSMBKSA-N	264.325	2.552	50	40	CFGB	
O=C(N/N=C\c1cccc(O)c1)c1ccc(Cl)s1	32573587	HWKJSSZASVDJKP-AUWJEWJLSA-N	280.736	2.871	50	40	CFGB	
CSc1ccc(/C=N\NC(=O)c2ccco2)cc1	30734252	BLSZOPICNFVFMO-ZROIWOOFSA-N	260.318	2.765	50	40	CFGB	
O=C(Cl)c1cc(Br)cnc1Cl	37594068	ZXLONDRTSKAJOQ-UHFFFAOYSA-N	254.898	2.877	50	40	CFGB	
O=C(CCl)Nc1ccccc1OCC(F)(F)F	12505447	KZMLEJXYYMNKAY-UHFFFAOYSA-N	267.634	2.805	50	40	CFGB	
C[C@H]1C[C@H](OC(=O)c2ccccc2)[C@H](C)CN1/C=C/C=O	3900205	AMWSLZCCVAAWRN-YQDVYMJTSA-N	287.359	2.655	50	40	CFGB	
CC(C)Oc1cccc(NC(=O)CBr)c1	35605178	QGLKICKYBYECCW-UHFFFAOYSA-N	272.142	2.807	50	40	CFGB	
O=C(O)[C@H](Br)Cc1ccc(Cl)cc1	38235914	IRIZMNJJUBLCHW-MRVPVSSYSA-N	263.518	2.731	50	40	CFGB	
CC1(C)Cc2ncccc2C(=O)[C@H]1Br	72207405	OBHCFFRQOCCFPB-SNVBAGLBSA-N	254.127	2.610	50	40	CFGB	
O=C(Cl)[C@H]1CCCN(C(=O)OCc2ccccc2)C1	2513518	WVIBCUKTQAQPKH-LBPRGKRZSA-N	281.739	2.801	50	40	CFGB	
CC/C(=N/NC(N)=O)[C@@H](CC)c1ccc(OC)cc1	4701224	VHIYOUYFUXZOFU-OFEBGVABSA-N	263.341	2.623	50	40	CFGB	
CC(=O)Nc1ccc(C(=O)[C@@H](C)Br)cc1	1562446	LLZKTKZPJBSEHD-SSDOTTSWSA-N	270.126	2.611	50	40	CFGB	
N#C/C(=C\c1cccc(-c2ccccc2F)c1)C(N)=O	96298223	NFRVJKSJFPYFFI-UKTHLTGXSA-N	266.275	2.885	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C\c2cccc(C)c2O)cc1	35406288	KXRLVTNVHINLGJ-ZDLGFXPLSA-N	298.342	2.538	50	40	CFGB	
CC(C)(C)[Si](C)(C)OC[C@H](O)CBr	196709905	DOCVQPWZNUTYRV-MRVPVSSYSA-N	269.255	2.764	50	40	CFGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2F)o1)C(N)=O	252486507	HMMPMROBPFGVOX-YVMONPNESA-N	274.226	2.617	50	40	CFGB	
COc1cc(OCCF)ccc1CBr	1776010720	HGCWODXIAPTZCV-UHFFFAOYSA-N	263.106	2.938	50	40	CFGB	
C/C(=N\NC(N)=O)c1ccc(Cl)c(-n2cccc2)c1	5393033	LJPBPZVMXOSHCQ-CXUHLZMHSA-N	276.727	2.523	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)CNc1cccc(C)c1	4746726	IUPFZHWCGOLNMI-YBFXNURJSA-N	297.358	2.566	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)C(C)(C)C)cc1OC	408777170	WBDVEMQHFZRVFH-MHWRWJLKSA-N	278.352	2.856	50	40	CFGB	
CC1(C)CC(=O)Nc2ccc(C(=O)CCl)cc21	34448785	TVCWQFOAAIDHFX-UHFFFAOYSA-N	251.713	2.728	50	40	CFGB	
COC[C@H](OC)c1ccc(C(=O)CBr)cc1	72220048	OLJMTRVYJAVGFX-LBPRGKRZSA-N	287.153	2.598	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1ccccc1F	225629757	GTHHRFQFFPRILT-KMWZGFTASA-N	258.296	2.754	50	40	CFGB	
C/C(=N/NC(=O)Cc1cccs1)c1ccccc1O	12562218	DGTSIKKZQXAVMH-GDNBJRDFSA-N	274.345	2.537	50	40	CFGB	
N#CSC/C(Br)=C\Br	16999939	MKZFDUNLCSMNOX-DAFODLJHSA-N	256.950	2.832	50	40	CFGB	
C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(C)cc1C	6271600	QDERSWMIJBNGDO-WFVLPUPGSA-N	296.370	2.877	50	40	CFGB	
Nc1ccc(C(=O)N/N=C\c2ccc(Cl)cc2)cc1	31829079	SGTDPPBZVGIOMC-MFOYZWKCSA-N	273.723	2.686	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1cc2cc(C)c(C)cc2[nH]c1=O	4778895	RNQMPQWIPPEHAH-ZSOIEALJSA-N	296.326	2.615	50	40	CFGB	
COc1cc(OC)cc(C(=O)NN=C2CCCCC2)c1	8339509	HYYLZMLQUAWQIZ-UHFFFAOYSA-N	276.336	2.754	50	40	CFGB	
CC1(C)C(C#N)=C(SCc2ccccc2)NC(=O)[C@H]1C#N	8943116	OFLFYMQTYHGCQQ-GFCCVEGCSA-N	297.383	2.951	50	40	CFGB	
CO[Si](CCCCCCBr)(OC)OC	197165036	HQJBEXBGBRMTQT-UHFFFAOYSA-N	285.254	2.820	50	40	CFGB	
CC[C@@H](C)Nc1ccc(NS(=O)(=O)CCl)cc1	5008001	SMIVJUIEMKPXTA-SECBINFHSA-N	276.789	2.835	50	40	CFGB	
COC1=C/C(=C(/C#N)c2ccccc2)C=C/C1=N\O	104255823	YBKTXKZDUUDTKN-XGTYQIHLSA-N	252.273	2.894	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/C(=O)c2ccccc2)c(C)c1	3315831	KIMFYMXEVXLKSD-WOJGMQOQSA-N	280.327	2.902	50	40	CFGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2F)c(F)c1	564274	GAIQHHRJEAHULB-DJKKODMXSA-N	285.253	2.600	50	40	CFGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1C	6418785	JXCJDZMJMWBPKU-ZROIWOOFSA-N	295.342	2.893	50	40	CFGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	2769795	QCBGLSXPDXQUGI-SDNWHVSQSA-N	283.375	2.718	50	40	CFGB	
CCCCC[C@H]1C(C#N)(C#N)C(C#N)=C(N)[C@]1(C)C(C)=O	4730107	TYCWMFATFKKFOU-UKRRQHHQSA-N	284.363	2.562	50	40	CFGB	
COc1ccc(C(=O)N/N=C/c2cccs2)c(OC)c1	60512592	PZDJZYPKGVJVLK-OQLLNIDSSA-N	290.344	2.529	50	40	CFGB	
Cc1cc(C)cc(C[C@@H](Br)C(=O)O)c1	76306448	SHVYTKLUWMJBIS-SNVBAGLBSA-N	257.127	2.694	50	40	CFGB	
COc1cccc(/C=C(/C#N)C(=O)NCc2ccccc2)c1	16227924	RDPNLCYQAHJVGJ-YBEGLDIGSA-N	292.338	2.919	50	40	CFGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)N1CCCC1	16437849	CEUKEFTZFQPEAD-FMIVXFBMSA-N	260.724	2.869	50	40	CFGB	
COC1=C/C(=C(/C#N)c2ccccc2)C=C/C1=N/O	17159684	YBKTXKZDUUDTKN-WVPYDLLPSA-N	252.273	2.894	50	40	CFGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ncc[nH]1	8651850	MJKRQKCIYFFRJR-CLFYSBASSA-N	255.214	2.540	50	40	CFGB	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccn1	5620980	NANIKOANJFBFNF-PYLYDXJYSA-N	279.343	2.726	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccccc1OC	40866079	OKNKVGJOQHPTIF-GJSJWPQCSA-N	258.321	2.517	50	40	CFGB	
COC(=O)c1ccc(/C(C)=N\NC(=O)OC(C)(C)C)cc1	95080038	DQYIKEHENIUSRH-YBEGLDIGSA-N	292.335	2.722	50	40	CFGB	
Cc1c([N+](=O)[O-])ccc(F)c1C(=O)CBr	396130134	XODARKJGMJXTQG-UHFFFAOYSA-N	276.061	2.620	50	40	CFGB	
O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(Cl)cc1	487301	UONYDYPGBYFVRZ-LZYBPNLTSA-N	290.706	2.515	50	40	CFGB	
C[C@H](OCc1ccccc1)C(=O)NN(C)c1ccccc1	40088872	VVHYPXCLBZVUOI-AWEZNQCLSA-N	284.359	2.759	50	40	CFGB	
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)CCl	34219556	SBYKMTUAOVCQGA-WPRPVWTQSA-N	263.765	2.734	50	40	CFGB	
Cc1ccc(COc2cccc(/C=C(/C#N)C(N)=O)c2)cc1	59133107	NSQXRJAETUNYOY-SXGWCWSVSA-N	292.338	2.966	50	40	CFGB	
Cc1ccc(C(=O)CCC(=O)N2CC=C(C#N)CC2)cc1	95452987	MLQUUWBEISIRHD-UHFFFAOYSA-N	282.343	2.640	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)o1	6788855	RMYHHFDHOQWQJS-RMKNXTFCSA-N	259.290	2.590	50	40	CFGB	
FC(F)(F)COc1ccc(CBr)cn1	145791264	BNPIMUVHBBOWQL-UHFFFAOYSA-N	270.048	2.918	50	40	CFGB	
O=C(N/N=C/c1ccc2c(c1)CCC2)c1ccc(O)cc1	2163932	KEDXKKXQARPAEP-WOJGMQOQSA-N	280.327	2.645	50	40	CFGB	
C/C(=N\NC(=O)[C@@H]1CCCO1)c1cccc2ccccc12	17023962	PREJJHUWWGSOOO-IQFISFIMSA-N	282.343	2.859	50	40	CFGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(C)=O)c2C)cc1	6319213	XEJVIRLQAYDNEY-WOJGMQOQSA-N	299.374	2.963	50	40	CFGB	
O=C(CNc1ccccc1)N/N=C/c1c[nH]c2ccccc12	43268	GMLPHXQGWJISDL-RGVLZGJSSA-N	292.342	2.730	50	40	CFGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1C[C@@H]1CCCO1	3218793	GFWUOFVANQQBIR-HNNXBMFYSA-N	255.321	2.632	50	40	CFGB	
O=C1[C@H](Br)CCN1c1ccccc1Cl	62151975	LZTXVQZRVOLFLY-SSDOTTSWSA-N	274.545	2.840	50	40	CFGB	in-vitro
Cc1cc(C(=O)NNC2=CC(=O)CCC2)ccc1Cl	409178312	GMJPLFHQLAYVDK-UHFFFAOYSA-N	278.739	2.520	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1cn(CC#N)c2ccccc12	408788766	GOJIMIKFJVDKKX-LCYFTJDESA-N	292.342	2.596	50	40	CFGB	
NNC(=O)CCc1ccc(-c2cccc(Cl)c2)o1	216923769	ZTYGQZKWGWNISA-UHFFFAOYSA-N	264.712	2.523	50	40	CFGB	
COc1cccc(/C=N\NC(=O)c2ccc(F)cc2)c1	30822057	ZZXUYFZLXOENCG-YVLHZVERSA-N	272.279	2.598	50	40	CFGB	
NNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)oc2c1	70461573	PGZHODMHFYNSPF-UHFFFAOYSA-N	287.706	2.752	50	40	CFGB	
CC(C)c1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1	45952302	RHAQXDLUEQEURQ-NSHDSACASA-N	265.740	2.928	50	40	CFGB	
COc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1	16215790	ZDRXMZPRHPJJLT-WJDWOHSUSA-N	292.338	2.919	50	40	CFGB	
N#CC(=C1Nc2ccccc2N1)S(=O)(=O)c1ccccc1	338909	CMFCPAKIRLYXOH-UHFFFAOYSA-N	297.339	2.691	50	40	CFGB	
O=C(NN=C1CCCCCC1)C(=O)Nc1ccc(F)cc1	59515835	LMJIUERDRIVKOX-UHFFFAOYSA-N	291.326	2.591	50	40	CFGB	
O=C(NNC(=O)c1ccco1)c1ccc2ccccc2c1	8907894	LTVFRCVJNXAZEY-UHFFFAOYSA-N	280.283	2.508	50	40	CFGB	
CCOc1ccccc1/C=N\NC(=O)c1ccc(OC)cc1	33303425	SAQPEBOYDBZSBK-PDGQHHTCSA-N	298.342	2.858	50	40	CFGB	
O=C(NNc1ccc(F)cc1)[C@H]1C[C@@H]1c1ccco1	49376425	UOWFAHORFHRYFC-RYUDHWBXSA-N	260.268	2.666	50	40	CFGB	
Nc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1	241485	DNOUEHZWQLCZLP-VXLYETTFSA-N	278.315	2.514	50	40	CFGB	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)NC[C@H]1CCCO1	7159831	SRJRSBQMGHEKQY-VWPMXFBESA-N	296.370	2.835	50	40	CFGB	
O=C(CBr)Nc1nc2cc(F)ccc2s1	2555982	IITXJRHHQHZFNO-UHFFFAOYSA-N	289.129	2.769	50	40	CFGB	
C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccccc1F	243870	SJBQEMXIUREAIK-MBNTZHJCSA-N	286.306	2.743	50	40	CFGB	
COc1ccc(OCC(=O)N/N=C(\C)c2ccccc2)cc1	4763906	IUDDEASQCHYCKM-QGOAFFKASA-N	298.342	2.614	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)o2)cc1	59138190	RARCCLZUVFHENQ-LDADJPATSA-N	297.358	2.952	50	40	CFGB	
N#C[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br	24738238	DEEVDUKZMAWCQE-FQUUOJAGSA-N	291.192	2.794	50	40	CFGB	
C[C@@H]1C[C@@H]1c1ccc(/C=N/NC(=O)c2cccnc2)o1	8263488	LOYOEURRCWKGOQ-QEXMKGMYSA-N	269.304	2.562	50	40	CFGB	
CCOC(=O)N(Nc1ccc(N)cc1N)c1ccccc1	3845356	USYWOYRASQMIBQ-UHFFFAOYSA-N	286.335	2.841	50	40	CFGB	biogenic
CC(C)/C(=N\NC(=O)c1cccnc1)c1ccccc1	5383978	AHLSDGNGIFCNQV-OBGWFSINSA-N	267.332	2.872	50	40	CFGB	
O[C@H](CCl)CSc1nc2ccccc2s1	114543	XNEVKTZYCWFBFG-SSDOTTSWSA-N	259.783	2.988	50	40	CFGB	
COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Cl)c1	35222672	FPWVMSYDJHLVBY-IUCAKERBSA-N	271.744	2.508	50	40	CFGB	in-vitro
N#CC(C#N)=Cc1ccc(N2CCC(Cl)=N2)cc1	4503134	GDYFSTZYOCMDPA-UHFFFAOYSA-N	256.696	2.880	50	40	CFGB	
N#C[C@H](C(=O)N/N=C/c1ccccc1F)c1ccccc1	409204575	AMQXJAIHYRSZEA-YRIIZNAFSA-N	281.290	2.583	50	40	CFGB	
CCn1cccc1/C=N/NC(=O)c1ccc(Cl)cc1	408931015	GBNDJWAIAPNCMH-MHWRWJLKSA-N	275.739	2.925	50	40	CFGB	
Cc1cc(C)c(/C=N\NC(=O)c2cccnc2)c(C)c1	33423828	KBDWDZWEGGWBHC-ZDLGFXPLSA-N	267.332	2.771	50	40	CFGB	
CCn1c(CCCl)nc2cc(C(=O)O)ccc21	225295253	KFFAMXGHJCWFAD-UHFFFAOYSA-N	252.701	2.536	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CCn2nc(C)cc2C)c(C)c1	3268726	XGIYPLKSEPMHAY-WOJGMQOQSA-N	298.390	2.657	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/C#Cc2ccccc2)cc1	3659640	QZVZWDBCCSCFIA-CPNJWEJPSA-N	292.338	2.528	50	40	CFGB	
O=C(CCBr)OCCc1ccccc1	1566620	XZHYMUNXNFYDGO-UHFFFAOYSA-N	257.127	2.557	50	40	CFGB	
C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccccc1	175179	HWEWEKVZKLENTO-GZTJUZNOSA-N	284.363	2.861	50	40	CFGB	
O=C1C(O)=C(CCBr)C(=O)c2ccccc21	4878635	BZCGXPBYEVZAMI-UHFFFAOYSA-N	281.105	2.663	50	40	CFGB	
Cc1cc(C(=O)CCl)c(C)n1C[C@@H]1CCCO1	3261560	RONLMOPBVPHVIE-NSHDSACASA-N	255.745	2.705	50	40	CFGB	
CCOC(=O)N/N=C(/C)c1ccc(Br)s1	4150399	FMEGLQYABJTWGZ-WDZFZDKYSA-N	291.170	2.981	50	40	CFGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C)cc2)cc1	134456	FDUMLRDTZAGUPO-WOJGMQOQSA-N	295.342	2.717	50	40	CFGB	
O=C(NCCCl)NCc1cccc2c1CCCC2	5160593	BBGIGWDOUADQDN-UHFFFAOYSA-N	266.772	2.603	50	40	CFGB	
CCn1cc(/C=N\NC(=O)c2ccncc2)c2ccccc21	169899884	OJLYLGPNONDDOP-ODLFYWEKSA-N	292.342	2.820	50	40	CFGB	
CC/C(=N\NC(=O)c1ccc(F)cc1)c1ccco1	8812497	SXMJKXQMFBATRT-FOWTUZBSSA-N	260.268	2.963	50	40	CFGB	
COC(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	44012782	AREMNRYOXDXWKE-FMIVXFBMSA-N	267.284	2.928	50	40	CFGB	
CCOC(=O)[C@@H](NCCCCl)c1ccccc1	19949780	HNJBTPFSBJHJFW-LBPRGKRZSA-N	255.745	2.509	50	40	CFGB	
N#C/C(=C/C=C\c1ccccc1)C(=O)N1CCCC1	33338146	IVDFPFRCLLSZDB-IAGWCDOLSA-N	252.317	2.772	50	40	CFGB	
C[C@H](CCCBr)N1C(=O)c2ccccc2C1=O	95215241	STNPMFVUVKDTLD-SECBINFHSA-N	296.164	2.846	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(OC)c1	7144011	CYGFUJYNUABXKI-UXBLZVDNSA-N	297.257	2.767	50	40	CFGB	
COC(=O)c1c(N=C=S)c2cc(F)ccc2n1C	2087164520	OLZPDKMTXSGIIL-UHFFFAOYSA-N	264.281	2.838	50	40	CFGB	
O=C(COc1ccccc1)N/N=C/c1c[nH]c2ccccc12	43282	FVUFKSHRASCBEP-YBFXNURJSA-N	293.326	2.697	50	40	CFGB	
C/C(=N\NC(=O)Cc1ccccc1Cl)c1cccnc1	15934374	UUPMAQAITXJFLN-WOJGMQOQSA-N	287.750	2.818	50	40	CFGB	
O=C(N/N=C/C=C/c1ccco1)c1ccccc1F	5042770	RORWJTCJBMOBDF-KLKIZMIFSA-N	258.252	2.848	50	40	CFGB	
CC(C)=NNC(=O)c1ccccc1NC(=O)c1ccco1	5899712	SJRDBNOSGWPEBM-UHFFFAOYSA-N	285.303	2.658	50	40	CFGB	
CC/C(=N\NC(N)=O)[C@H]1C[C@@]2(C)CC[C@H]1C2(C)C	103212554	XOEPTCGYDLHANO-UPQMCCDYSA-N	251.374	2.883	50	40	CFGB	
Cc1cc(Br)c(O)c(C(=O)CSC#N)c1	6527708	RSHQLQZMIBCTRG-UHFFFAOYSA-N	286.150	2.860	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1ccc(F)cc1Cl	102882053	LZOSDKFWEZPOPE-BQYQJAHWSA-N	268.675	2.862	50	40	CFGB	in-vitro
Cc1ccccc1NC(=O)C(=O)NN=C1CCCCCC1	58885884	SNUJUXJSYXCXMZ-UHFFFAOYSA-N	287.363	2.760	50	40	CFGB	
Cc1ccc([S@](=O)ON(CCCl)CCCl)cc1	104334681	LZWLAMLNYDFSGC-KRWDZBQOSA-N	296.219	2.729	50	40	CFGB	
CC(C)c1ccc(NC(=O)CCNC(=O)[C@H](C)Cl)cc1	15423126	HWUXOTUNVGHCRM-NSHDSACASA-N	296.798	2.882	50	40	CFGB	
C[C@@H](Sc1ccccn1)C(=O)NN=C1CCCCC1	188536	MMWFNKGFYUUNCH-LLVKDONJSA-N	277.393	2.999	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1[N+](=O)[O-]	102208190	CFPPWGPKIMBLIM-FEMVOYPESA-N	287.319	2.747	50	40	CFGB	
CN(C)c1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1	2790688	FOXDFJYIBHQCNF-WOJGMQOQSA-N	285.322	2.656	50	40	CFGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccco1	28355922	YIHDWUURDZPPSL-XYOKQWHBSA-N	270.263	2.642	50	40	CFGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)O	2275265	SCPSXVSHKYKNAJ-YFHOEESVSA-N	284.227	2.846	50	40	CFGB	
C/C(=N\NC(=O)NC1CCCCC1)c1ccc(C#N)cc1	5505954	YGXDTIPKEVFMLI-XDHOZWIPSA-N	284.363	2.914	50	40	CFGB	
CC(C)=NNC(=O)[C@@H](C)SCc1ccccc1	408720141	UBAHKZOTDBOPRT-LLVKDONJSA-N	250.367	2.820	50	40	CFGB	
COc1cccc(N(Cc2ccncc2)C(=O)CCl)c1	199755780	GAURJTZBOBBMIO-UHFFFAOYSA-N	290.750	2.862	50	40	CFGB	
CCCc1ccc([Si](OCC)(OCC)OCC)cc1	230847190	UJPUBTQVVIFJQN-UHFFFAOYSA-N	282.456	2.895	50	40	CFGB	
O=C(COc1ccc(F)cc1)N/N=C/c1ccc(F)s1	252509384	YMPKUOCZKPPWBD-FRKPEAEDSA-N	296.298	2.555	50	40	CFGB	
Fc1cc(CBr)cnc1Br	149824791	IMQUTKISJIQUOF-UHFFFAOYSA-N	268.911	2.878	50	40	CFGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(N)=O)cc2)cc1	5682821	UVMMIQLXZPRAIF-MHWRWJLKSA-N	292.338	2.966	50	40	CFGB	
C/C(=N/NC(=O)COc1ccccc1)c1ccc(C)cc1	13477428	NPPJFGFYMZJKLD-JXAWBTAJSA-N	282.343	2.914	50	40	CFGB	
O=C(CCl)Nc1nonc1-c1ccc(Cl)cc1	2577514	QRTSTZNFPMTKAV-UHFFFAOYSA-N	272.091	2.567	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2O)o1	141793	YQQLRJUOKKFVGB-DHZHZOJOSA-N	268.272	2.839	50	40	CFGB	
CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)c[nH]c12	6959329	WOWHVCCZUIGMOV-XYOKQWHBSA-N	279.343	2.916	50	40	CFGB	
O=C(NNC(=O)c1ccc(Cl)cc1F)c1ccccc1	7239636	ATRQLSZGAWWCMZ-UHFFFAOYSA-N	292.697	2.554	50	40	CFGB	
C[C@@]12CC[C@H]([C@H](Br)C1=O)[C@@]2(C)CCC(=O)O	103612256	UHBNKGHKJHETSR-OAIFWDMCSA-N	289.169	2.620	50	40	CFGB	
C/C(=N\NC(=O)Cn1cnc2ccccc21)c1cccs1	12362400	GSTVSLXBCADNBG-GZTJUZNOSA-N	298.371	2.638	50	40	CFGB	
C[C@]12C[C@@H](Br)[C@H](Br)C[C@]1(C)O2	100182502	ZQEYVDVWGJJBOA-NGJRWZKOSA-N	283.991	2.855	50	40	CFGB	
COc1cccc(N/C=C2/C(=O)OC(=O)c3ccccc32)c1	103032169	SKUYRXOBQHPMQJ-XNTDXEJSSA-N	295.294	2.845	50	40	CFGB	
Cc1cc(C)c(/C=N/NC(=O)c2cccnc2)c(C)c1	3335023	KBDWDZWEGGWBHC-VCHYOVAHSA-N	267.332	2.771	50	40	CFGB	
CC(=O)Nc1cc(NC(=O)[C@H](C)Cl)ccc1C	330727	GMYCNDRXZIYUPW-QMMMGPOBSA-N	254.717	2.519	50	40	CFGB	
COc1cccc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1	103615286	IKTYBNFGQMOQTH-ATVHPVEESA-N	288.347	2.560	50	40	CFGB	
COC(=O)c1c(C(=O)CCl)c(C)n(C2CC2)c1C	4218885	GESLXRGTYPUURY-UHFFFAOYSA-N	269.728	2.648	50	40	CFGB	
ClC(Cl)(Br)CBr	63338566	FIYBYNHDEOSJPL-UHFFFAOYSA-N	256.752	2.908	50	40	CFGB	
O=C(N/N=C\C=C\c1ccccc1)c1ccccn1	5203626	YOVZDLVBJIJMEF-NPDFUIFFSA-N	251.289	2.511	50	40	CFGB	
COc1ccc(Br)cc1C=C(C#N)C#N	283331	WAQALTMZNLLZTA-UHFFFAOYSA-N	263.094	2.888	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1C	286704	GUMMBZNLVMZTFJ-RIYZIHGNSA-N	299.399	2.927	50	40	CFGB	
COc1ccccc1C(=O)N/N=C1\C[C@@H]2CC[C@@H]1C2	102202998	NXUNHWFVYPSFBF-JYVUULFMSA-N	258.321	2.601	50	40	CFGB	
CCn1c(C)cc(/C=N/NC(=O)Cc2ccccc2)c1C	409102015	ZPDMTIVFSRBXBF-LDADJPATSA-N	283.375	2.818	50	40	CFGB	
O=C(N/N=C\c1ccc(N2CCCC2)cc1)c1ccco1	408960230	JYRXFJVVNBVCOK-ATVHPVEESA-N	283.331	2.644	50	40	CFGB	
C[Si](C)(C)OC(CBr)CBr	238531134	QZVCCWLXPYNKNO-UHFFFAOYSA-N	290.071	2.996	50	40	CFGB	
C[C@@H](Nc1ccc(Cl)cc1)C(=O)N/N=C/c1ccco1	235270	JATQFHPHRCZRDH-VCBXAZPMSA-N	291.738	2.884	50	40	CFGB	
O=P(NCCCl)(NCCCl)Oc1ccccc1	1571923	MXGQLWMLQRDZBT-UHFFFAOYSA-N	297.122	2.830	50	40	CFGB	
O=C(N/N=C/c1ccccn1)C12CC3CC(CC(C3)C1)C2	3909340	JLOLVTKSELPHBW-YBFXNURJSA-N	283.375	2.748	50	40	CFGB	
O=S(=O)(c1ccc(CCCl)cc1)N1CCCCC1	20190698	MUPUZDIHMXQLLC-UHFFFAOYSA-N	287.812	2.643	50	40	CFGB	
O=C(OCCCl)c1snnc1-c1cccs1	223846151	NVWKBPPZVCSZOC-UHFFFAOYSA-N	274.754	2.662	50	40	CFGB	
COc1ccc(C[N@]2C[C@]2(C)CBr)cc1	1857622558	GWZBGTBZXJLPDO-GXTWGEPZSA-N	270.170	2.664	50	40	CFGB	
CC(C)(C)C(=O)C(C#N)=C1C(=O)c2ccccc2C1=O	2504459	KTEFXGGXUWVDMG-UHFFFAOYSA-N	267.284	2.501	50	40	CFGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)NC1CC1	2769390	GHVLWTQZGKKRIW-JLHYYAGUSA-N	270.332	2.661	50	40	CFGB	
C/C(N)=C(\C#N)C(=O)COc1ccc(Cl)cc1Cl	104752558	PNANUPXWHBFUBS-CLFYSBASSA-N	285.130	2.698	50	40	CFGB	
CCCOc1ccc(/C=C(\C#N)C(=O)OCC)cc1	1914753	LSXUSQMJPKTQJW-JLHYYAGUSA-N	259.305	2.945	50	40	CFGB	
Cc1ccc(C(C)C)cc1OCc1ccc(C(=O)NN)o1	4598819	PIYRVHHARGFBBD-UHFFFAOYSA-N	288.347	2.894	50	40	CFGB	
CC(/C=C/C=C/c1ccccc1)=N/NC(=O)c1cnccn1	4724378	WASYLBRRJWCNCN-ADDQEENDSA-N	292.342	2.852	50	40	CFGB	
Cc1cc(C)nc(NNC(=O)Nc2cccc(Cl)c2)n1	8988070	XEHHWWQGFWNFKN-UHFFFAOYSA-N	291.742	2.895	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(C)cc2)c(O)c1	409391552	JRENXCUOTBGQMW-LDADJPATSA-N	298.342	2.863	50	40	CFGB	
COc1cc(Cl)c(C(=O)Cl)cc1[N+](=O)[O-]	141945371	OSIHUGVRDRACHR-UHFFFAOYSA-N	250.037	2.636	50	40	CFGB	
CC(=O)N/N=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C	208436789	FNHQUTVNDMVJLS-LICLKQGHSA-N	271.364	2.788	50	40	CFGB	
O[C@]1(c2ccccc2)[C@@H](CCCl)SC2=NCCCN21	2168134	USVXQTPYCPCLDN-TZMCWYRMSA-N	296.823	2.638	50	40	CFGB	
CCCC(=O)Nc1cccc(NC(=O)CBr)c1	35605213	LJKIBXMWOWGBDA-UHFFFAOYSA-N	299.168	2.759	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2ccc(C)cc2[C@@H](C)CC1(C)C	223202707	YBZANMSMXQWIMT-JSGCOSHPSA-N	289.423	2.856	50	40	CFGB	
O=C(Cl)OC[C@@H](Br)C(F)(F)F	1083809766	GOFJOKJXDKQIHZ-UWTATZPHSA-N	255.417	2.688	50	40	CFGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)cc1	272255	ZCCQTLNCBVGUPU-XYOKQWHBSA-N	252.273	2.647	50	40	CFGB	
O=S(=O)(c1ccccc1)C1[C@@H]2CCC[C@H]1C2Cl	13144802	ITYHHDMRFWDMBV-MPEURRAXSA-N	270.781	2.866	50	40	CFGB	
N#C/C(=C1/Nc2ccccc2NC1=O)c1ccccc1	17122233	BUFRYGPHYVLLTC-QINSGFPZSA-N	261.284	2.985	50	40	CFGB	
C[C@@H](Br)c1nc2ccccc2c(=O)o1	384333	AYNLROKLYRAIOG-ZCFIWIBFSA-N	254.083	2.644	50	40	CFGB	
CN(c1ccccc1)c1ccc(/C=N/NC(=O)CC#N)cc1	354578	XVDDBSXNXPQJEM-CPNJWEJPSA-N	292.342	2.818	50	40	CFGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(N)=O)c1	59133110	DTKKXRQMFZFBON-MHWRWJLKSA-N	292.338	2.966	50	40	CFGB	
NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCl	3319645	ZOSCXRZFEXJXHZ-UHFFFAOYSA-N	294.763	2.691	50	40	CFGB	
CC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccccc2)cc1	408719233	OBOQBPQPLGUTCG-XDHOZWIPSA-N	295.342	2.799	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2cccc(Cl)c2)cn1	30802844	XCLGURYKKAZIPJ-IUXPMGMMSA-N	273.723	2.807	50	40	CFGB	
O=C1NC2(CCCCC2)N=C2[C@@H](Cl)CCC[C@@]12Cl	31861201	ASJBUOKNTTYTBM-ZANVPECISA-N	289.206	2.987	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@@H]1C2)c1ccccc1[N+](=O)[O-]	96603222	PBTGERFGSPGQIL-QQYHRITMSA-N	285.303	2.523	50	40	CFGB	
COc1ccc(C(=O)N/N=C/c2ccc(C)cc2)c(OC)c1	6426542	CXFZSVXINVDYIT-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
F[C@@H]1C[C@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F	34859327	DVWLACCWRDCQEN-SKNVOMKLSA-N	285.590	2.787	50	40	CFGB	
C[C@@](O)(c1ccccc1)[C@H](CCl)N1CCCCC1	1754420	WLVDUDMXGSZKDF-LSDHHAIUSA-N	267.800	2.987	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C\Cc1ccccc1	4802225	JGSJBENEJRWPTO-ATVHPVEESA-N	252.317	2.574	50	40	CFGB	
CCN(NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(C)cc1	23790448	XHMXBKGHTXRSDF-UHFFFAOYSA-N	289.291	2.668	50	40	CFGB	
Cc1cccc2c1N(C(C)(C)C(=O)NN)C(C)(C)C[C@@H]2C	223208158	JGICCGBVKUXMLT-LBPRGKRZSA-N	289.423	2.856	50	40	CFGB	
O=C(N/N=C/c1cccn1-c1ccccc1)c1ccncc1	54596	PTWHJSCMJMZRKH-CPNJWEJPSA-N	290.326	2.636	50	40	CFGB	
COc1ccc2c(c1)sc1ncc(CCCl)c(=O)n12	6666623	XXQHVUZRVHVXBW-UHFFFAOYSA-N	294.763	2.699	50	40	CFGB	
CN(C)/C=C(\C#N)C(=O)c1cccc2ccccc12	2507528	KVFHVEAEKGPARU-ACCUITESSA-N	250.301	2.992	50	40	CFGB	
C/C=C/C=N/NC(=O)c1cc2ccccc2cc1O	5382362	KEKBVYIOJXLEBR-MOEFMSLSSA-N	254.289	2.837	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O	408811082	QMQLBCNOBITCAE-VKRGWIQLSA-N	278.739	2.867	50	40	CFGB	
CC/C(=N\NC(=O)C1CC1)c1cccc(Cl)c1	5506501	BQXNVGYNPWMHBK-NTCAYCPXSA-N	250.729	2.980	50	40	CFGB	
O=C(CSCCc1ccccc1)N/N=C/c1ccco1	408727976	UFHDWJSMXIGQFG-LFIBNONCSA-N	288.372	2.706	50	40	CFGB	
CC1=CC(C)(C)N([C@@H](C)C(=O)NN)c2cc(Cl)ccc21	223826131	PHSOHXOCKJYCKN-JTQLQIEISA-N	293.798	2.720	50	40	CFGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)o1	6301769	ACJNUAUZWUHMMX-WQLSENKSSA-N	296.282	2.832	50	40	CFGB	
Cc1cccc(I)c1C(=O)Cl	202571708	QZYLZIODVVPVJS-UHFFFAOYSA-N	280.492	2.979	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(C)c(C)c1)c1ccccn1	369658	KCUTYABBDAXUTA-QGOAFFKASA-N	267.332	2.852	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1ccc(Br)s1	4839425	GOMYOVLUMFJXKB-ALCCZGGFSA-N	286.150	2.981	50	40	CFGB	
CCOC(=O)/C(C#N)=C(\c1ccc(F)cc1)N(CC)CC	2650284	MAROSOORQUFHHX-CCEZHUSRSA-N	290.338	2.965	50	40	CFGB	
CC(C)C(=O)N/N=C\c1cccc(Br)c1	58885343	AQOWAIURNFFWBH-QPEQYQDCSA-N	269.142	2.555	50	40	CFGB	
CCOC(=O)/C(O)=C(\C#N)c1ccnc2ccccc12	104056309	MBECNEFECULVFK-OWBHPGMISA-N	268.272	2.591	50	40	CFGB	
Cc1cc(-n2c(C)cc(C=C(C#N)C#N)c2C)no1	8053827	YRNQTTHLUIVDFZ-UHFFFAOYSA-N	252.277	2.821	50	40	CFGB	
Cc1cc(/C=C(/C#N)C(N)=O)ccc1Oc1cccnc1	71900469	GCSBMDRSTGUNOP-JYRVWZFOSA-N	279.299	2.575	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/CCc2ccccc2)o1	4156233	TZILURSXFSDYEG-LFIBNONCSA-N	256.305	2.936	50	40	CFGB	
COc1ccccc1[C@H]1C(C#N)=C(SC)N=C(O)[C@H]1C#N	80984	UUKFZGULEZTPDN-GXFFZTMASA-N	299.355	2.987	50	40	CFGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCC	59334745	RIJDXCJMJKPJQL-PTNGSMBKSA-N	284.359	2.809	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1	5070323	MJAVGPUPARPUHB-XYOKQWHBSA-N	269.329	2.997	50	40	CFGB	
O=C(CBr)c1ccc2cnccc2c1	199752095	WZGXBIDVZDIXRE-UHFFFAOYSA-N	250.095	2.812	50	40	CFGB	
N#Cc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1	1440610	SRUQRMQXVBYCBZ-YBFXNURJSA-N	297.745	2.904	50	40	CFGB	
C[C@]1(C2CC2)CC(C2CC2)=C(C#N)C(=C(C#N)C#N)N1	1508768	FFFFHRVPGNJCMD-MRXNPFEDSA-N	264.332	2.680	50	40	CFGB	
COc1ccc(C(=O)N/N=C/c2cccc(C)c2)cc1OC	354672	LLUBVZZQFYBYFE-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
C/C(=N\NC(=O)c1cccc(C)n1)c1ccccc1	484591	YUTXWKVRSSIXIU-SFQUDFHCSA-N	253.305	2.544	50	40	CFGB	
Cn1cccc1/C=N/NC(=O)c1ccc(-n2cccc2)cc1	2730418	NSOMSOLJLWIYOW-QGOAFFKASA-N	292.342	2.580	50	40	CFGB	
Cc1cc(N2CCCC2)ccc1NC(=O)CCl	10037793	RSFAHYRQPFWIOA-UHFFFAOYSA-N	252.745	2.773	50	40	CFGB	
C[C@H](Cl)C(=O)Nc1ncc(Cl)cc1Cl	3252734	LNSJNKMEAJUSBK-BYPYZUCNSA-N	253.516	2.954	50	40	CFGB	
Cc1ccc(/C=C/C(=O)N/N=C\c2ccccn2)cc1	409060928	AIQIYKQGNYYNEC-IGZKKZBOSA-N	265.316	2.554	50	40	CFGB	
O=C(CNc1ccccc1F)N/N=C/[C@H]1CC=CCC1	5446567	QHWBWNWEGRHZLI-NNLQFVHNSA-N	275.327	2.696	50	40	CFGB	
O=C1NC2(CCCCC2)N=C2[C@H](Cl)CCC[C@]12Cl	31861203	ASJBUOKNTTYTBM-NOZJJQNGSA-N	289.206	2.987	50	40	CFGB	
COc1cc(NC(=O)CCl)ccc1N1CCCCC1	34776710	YXNRHNCBLFKIQN-UHFFFAOYSA-N	282.771	2.863	50	40	CFGB	
Cc1cc(Cl)ccc1N1C[C@@H](C(=O)Cl)CC1=O	45954264	UAYIHCZXSZDMBX-QMMMGPOBSA-N	272.131	2.767	50	40	CFGB	
Cc1cccc(C(=O)NNC(=O)/C=C/c2ccc(F)cc2)c1	512785	OJHDTBXTKMTZRD-JXMROGBWSA-N	298.317	2.609	50	40	CFGB	
O=C(N/N=C/c1ccc2ncccc2c1)c1ccco1	12512332	OXACACLWLYJYDT-LICLKQGHSA-N	265.272	2.592	50	40	CFGB	
COC(/C=C/Nc1ccc(OC)cc1)=C(C#N)C#N	100331995	PVSHEGHITQYAPG-BQYQJAHWSA-N	255.277	2.568	50	40	CFGB	
N#CC(C#N)=Cc1cccn1-c1ccc([N+](=O)[O-])cc1	494190	VVEIUMMIANEZTP-UHFFFAOYSA-N	264.244	2.816	50	40	CFGB	
Cc1cc(C(=O)NNC(=O)C2=C(Cl)CCCC2)c(C)o1	68374986	NLQWSDPVYAQXCU-UHFFFAOYSA-N	296.754	2.724	50	40	CFGB	
C/C(=N\O)[C@@H]1C[C@H]2C=C(C#N)[C@H]1N(Cc1ccccc1)C2	102954458	WFMNNEXNOLXAEP-YLIABKJKSA-N	281.359	2.807	50	40	CFGB	
N#C/C(=C\Nc1ccccc1)C(=O)NCc1ccccc1	5021738	XRRNLGPIHCXFGQ-FYWRMAATSA-N	277.327	2.822	50	40	CFGB	
COc1cccc2c1C(=O)[C@@H](Br)CC2	199752952	UCPIHPMNHHBBHG-QMMMGPOBSA-N	255.111	2.588	50	40	CFGB	
Cc1cc(C(=O)NNC(=O)c2cccc(Cl)c2)c(C)o1	8878392	KJLDXIPVJMWZJW-UHFFFAOYSA-N	292.722	2.625	50	40	CFGB	
COc1ccc(OC)c(/C=N\NC(=O)c2cccc(C)c2)c1	32675365	FSPWHJNLZIVVFW-WQRHYEAKSA-N	298.342	2.776	50	40	CFGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)cc1[N+](=O)[O-]	33406072	WBSCLBRZPIMWLU-WDZFZDKYSA-N	297.270	2.556	50	40	CFGB	
C/C(=N\NC(=O)NC[C@@H]1CCCO1)c1cc(C)sc1C	98055374	MCIRTSYEHRHQPK-SEJMYLSOSA-N	295.408	2.567	50	40	CFGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1O	244360	ROXQNGAPGNPHRB-GZTJUZNOSA-N	299.330	2.947	50	40	CFGB	
O=[N+]([O-])c1ccc(S(=O)(=O)SC(F)(F)F)cc1	1714923	OKPLLRUTQGKEOM-UHFFFAOYSA-N	287.240	2.537	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2/CCCC[C@H]2C)c1O	32577539	BDDRQKOODRPXJV-JITTUONFSA-N	260.337	2.997	50	40	CFGB	
CCCCCC(=O)N/N=C(\CCC(=O)O)c1ccccc1	5458951	KEXLQKQWGPXSJR-SAPNQHFASA-N	290.363	2.952	50	40	CFGB	
COc1ccc2nc(/C(C#N)=C\c3cccn3C)[nH]c2c1	409389793	AJVURZJZWBOLON-FLIBITNWSA-N	278.315	2.974	50	40	CFGB	
C[C@H](I)C(=O)Nc1ccc(F)cc1	72226317	XRRGEISPJMNHRO-LURJTMIESA-N	293.079	2.588	50	40	CFGB	
CC(C)(C)c1ccc(NC(=O)CCNC(=O)CCl)cc1	8733154	ZZLOIFXVJXJHDS-UHFFFAOYSA-N	296.798	2.668	50	40	CFGB	
CCSc1nnc(NC(=O)CCCCl)s1	2085438	XBTUDCJPRPIOSJ-UHFFFAOYSA-N	265.791	2.608	50	40	CFGB	
COc1ccc([C@H]2CCCN2C(=O)CCl)c(OC)c1	58033185	AGZLUWLUUKHWEC-GFCCVEGCSA-N	283.755	2.606	50	40	CFGB	in-vitro
O=C(NN=C1CCCCCC1)c1ccc2c(c1)OCCO2	17697028	KRJKMQWFXGMACE-UHFFFAOYSA-N	288.347	2.898	50	40	CFGB	
COC(=O)c1ccc(/C=C(\C#N)c2ccccn2)cc1	5128555	OSHGWUPMAJHROP-GXDHUFHOSA-N	264.284	2.932	50	40	CFGB	
O=C(Cl)c1n[nH]c2c(Br)cccc12	89200558	FANMHQGHEZDWOA-UHFFFAOYSA-N	259.490	2.704	50	40	CFGB	
COc1ccc2nc(NC=C(C#N)C#N)sc2c1	13640049	FTBUXBCGQWOUAV-UHFFFAOYSA-N	256.290	2.648	50	40	CFGB	
COc1ccc(CCN2C=C[C@@H](C#N)C(C#N)=C2)cc1OC	1715716	QURKGZBHOIVULX-AWEZNQCLSA-N	295.342	2.623	50	40	CFGB	
Cc1cc(C)nc(NNC(=O)C(C)(C)c2ccccc2)n1	69457225	PZOPKVFTIGIIJO-UHFFFAOYSA-N	284.363	2.514	50	40	CFGB	
N#CC1=C(N)Nc2nc3ccccc3n2[C@H]1c1ccccc1	4813275	VIWIFCMSQWJCHM-HNNXBMFYSA-N	287.326	2.745	50	40	CFGB	
COc1cc(C)c(C(=O)CBr)cc1C	4988669	AHWKVVWQCWDAEO-UHFFFAOYSA-N	257.127	2.890	50	40	CFGB	
CCc1ccc(C(=O)N/N=C(\C)c2cccnc2)s1	15934106	XJBINZBJYGSELA-MHWRWJLKSA-N	273.361	2.860	50	40	CFGB	
Br[C@H]1[C@@H]2[C@@H]3C[C@@H]1C[N+]32Cc1ccccc1	169799296	XHYJGHLAIHMIPV-BJRDYQPUSA-N	265.174	2.551	50	40	CFGB	
Cc1cc(C)c(/C=N/NC(=O)c2ccncc2)c(C)c1	485212	BKAZOJCNGPCUGN-VCHYOVAHSA-N	267.332	2.771	50	40	CFGB	
O=C(NNC(=O)C1CCCC1)Nc1cccc(Cl)c1	40512092	ZSWAOPQDTGDEJV-UHFFFAOYSA-N	281.743	2.683	50	40	CFGB	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1	5494609	AFTLNAQILZSRJQ-KIHYJURLSA-N	279.343	2.726	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1ccc(N(C)CCC#N)cc1	4773350	PLKIDGIOFRFBAV-KAMYIIQDSA-N	283.331	2.507	50	40	CFGB	
Cn1cc(C(=O)N/N=C\c2ccccc2O)c2ccccc21	33333243	KOOVIFRZHUTMLX-ZDLGFXPLSA-N	293.326	2.648	50	40	CFGB	
Cc1cc(Br)ccc1-c1ccc(C(=O)NN)o1	40537913	ICQRAMSLOCPXJE-UHFFFAOYSA-N	295.136	2.621	50	40	CFGB	
CCC(=NNC(N)=O)[C@H](CC)c1ccc(OC)cc1	245240937	VHIYOUYFUXZOFU-GFCCVEGCSA-N	263.341	2.623	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	512130	MGAMUWVLLJZDIS-GZTJUZNOSA-N	297.314	2.596	50	40	CFGB	
CCOC(=O)[C@@H](CC)/C(C)=N/NC(=O)c1cccc(C)c1	12403862	XPNZNPZITSTAKW-IQGJIOQQSA-N	290.363	2.690	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1O	1479750	HNHWDPXSZPBROS-CXUHLZMHSA-N	274.707	2.810	50	40	CFGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1c[nH]c2ccccc12	83315183	NDUGNKHEMKSCFW-JAIQZWGSSA-N	295.317	3.000	50	40	CFGB	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	100015542	RUFSXELMOQBMOF-UHFFFAOYSA-N	266.034	2.951	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1cccc(Br)c1	100706	OTVZAMWNYOAFBV-UXBLZVDNSA-N	280.121	2.919	50	40	CFGB	
O=C(N/N=C/C=C\c1ccccc1)c1ccccc1O	6060573	BCGXWFSQSOPZSL-CGVLLOTDSA-N	266.300	2.821	50	40	CFGB	
Cc1ccc(C(=O)NN=C2CCCCC2)cc1[N+](=O)[O-]	5618305	PPAWFLMAWRCICB-UHFFFAOYSA-N	275.308	2.953	50	40	CFGB	
CO[C@H](C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1	59445075	DJWFFJSEBLMZJT-LZNAANCOSA-N	286.306	2.664	50	40	CFGB	
COc1cc(NC(=O)CCl)c(Br)cc1C	32911321	AUBCKMMYQFEPNI-UHFFFAOYSA-N	292.560	2.943	50	40	CFGB	
CN(C)/C=C(\C#N)C(=O)CSc1ccc(Cl)cc1	3047085	QRZCFSJBMOGQOF-CSKARUKUSA-N	280.780	2.970	50	40	CFGB	
NNC(=O)Cc1csc(Nc2cccc3ccccc23)n1	223450024	NSRDDPIDZDZZAM-UHFFFAOYSA-N	298.371	2.572	50	40	CFGB	
Cc1c(C(=O)N/N=C/C(C)C)[nH]c2c([N+](=O)[O-])cccc12	551517	NWCXILSGOZBVPS-VIZOYTHASA-N	288.307	2.756	50	40	CFGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)o1	16185107	PJVMUFIUJVCOBD-FLIBITNWSA-N	268.272	2.839	50	40	CFGB	
C[C@@H](Br)C(=O)Nc1c(F)cccc1F	152385	QXVRLWPJFYXSJC-RXMQYKEDSA-N	264.069	2.687	50	40	CFGB	
N#CC1=C(N)Oc2ccccc2[C@H]1c1cccs1	7516631	KFNLVAYPPWTYDO-CYBMUJFWSA-N	254.314	2.966	50	40	CFGB	
COc1ccc2c(c1)CC[C@@H]1C2=CC[C@@H]2C(=O)OC(=O)[C@]21C	104373519	CFIUTHMLFDZXOQ-RKVPGOIHSA-N	298.338	2.751	50	40	CFGB	
O=C(CCCl)Nc1ccc(NC(=O)CCCl)cc1	103833661	IDFVDMZRANNKMS-UHFFFAOYSA-N	289.162	2.821	50	40	CFGB	
O=C(CCc1ccccc1)NN=C(CCl)CCl	100244285	OYKXENGMVPYCFA-UHFFFAOYSA-N	273.163	2.569	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	8206334	FQSWWLONRHIMSO-CSKARUKUSA-N	270.263	2.739	50	40	CFGB	
CO[C@]1(C)C[C@H](NC(=O)/C(C#N)=C/c2ccco2)C1(C)C	96443865	SKWWHHNAFBBZPP-IRSGEFJISA-N	288.347	2.506	50	40	CFGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C1CC1	511009	KLYUFIJQSVORFV-MKMNVTDBSA-N	257.120	2.854	50	40	CFGB	
O[C@H](CBr)c1ccccc1Br	88247258	LSOZDQDHEMEVRG-MRVPVSSYSA-N	279.959	2.877	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2/CCC[C@@H](C)C2)c1O	16990017	SBYRYSBMDZRZSF-YZWBREFASA-N	260.337	2.997	50	40	CFGB	
CC(C)(C)c1cc(C(=O)NN)cc(C(C)(C)C)c1O	16990774	ZNWRUFKGBSZSDC-UHFFFAOYSA-N	264.369	2.591	50	40	CFGB	
COc1ccc(Cl)cc1NC(=O)NCCCl	3162438	JJHRSFHJNBFGHE-UHFFFAOYSA-N	263.124	2.709	50	40	CFGB	
CCc1ccc(/C=C(/C#N)C(=O)NCc2ccncc2)s1	6519297	WXRIZHFTLRMFAW-LCYFTJDESA-N	297.383	2.929	50	40	CFGB	
Cn1c2[n+](c3ccccc31)C[C@@](C)(CBr)S2	500698	IUNZAZMGDPTXGD-GFCCVEGCSA-N	298.229	2.725	50	40	CFGB	
Cc1c(C(=O)NN=C2CCCC2)cccc1[N+](=O)[O-]	408782579	KNFLGFPONBKCSP-UHFFFAOYSA-N	261.281	2.563	50	40	CFGB	
C[C@@H](Br)C(=O)Nc1cccc(CF)c1	85391293	SQFFWUHMHSULBK-SSDOTTSWSA-N	260.106	2.878	50	40	CFGB	
CC(C)(C)OC(=O)NNC1CC(OCc2ccccc2)C1	716304725	RNPRLGWMQGKRFN-UHFFFAOYSA-N	292.379	2.764	50	40	CFGB	
C[C@H](Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	5446607	YCFSQPKOKLUQBO-YFKPBYRVSA-N	263.080	2.814	50	40	CFGB	
C/C(=N/NC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1	13476339	UORAGBQBOYDNDX-ZROIWOOFSA-N	289.316	2.810	50	40	CFGB	
COc1ccc2c(c1)CCC[C@H](Br)C2=O	6411806	YVOBLRLPIJTZAI-NSHDSACASA-N	269.138	2.978	50	40	CFGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc(C)cc1	5163177	HKHDYBQQEAZCMC-SFQUDFHCSA-N	253.305	2.544	50	40	CFGB	
C[C@H]1CCCC/C1=N\NC(=O)c1ccc2c(c1)OCO2	4499084	BYWYDIMJFOGNDV-XYSKEJRNSA-N	274.320	2.711	50	40	CFGB	
C[C@H]1CC(C)(C)N([C@H](C)C(=O)NN)c2cc(Cl)ccc21	223830670	WLTBIEFSLSHBTB-VHSXEESVSA-N	295.814	2.811	50	40	CFGB	
Cc1cc(O)c(C(=O)CBr)cc1Cl	83180267	LYCIXUPHPWALKX-UHFFFAOYSA-N	263.518	2.932	50	40	CFGB	
CCOc1cc(/C=N/NC(=O)C2CC2)ccc1OC(C)C	15925015	ADCPUUUURVQQLJ-LICLKQGHSA-N	290.363	2.733	50	40	CFGB	
C/C(=N/NC(=O)[C@H]1CCCO1)c1cccc2ccccc12	5329137	PREJJHUWWGSOOO-UWCCDQBKSA-N	282.343	2.859	50	40	CFGB	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)c1ccccc1	100090345	QQPHGSJFMVKRTG-CPNJWEJPSA-N	295.342	2.821	50	40	CFGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1	43970	GYSPJBPZAOLIEX-WOJGMQOQSA-N	298.342	2.533	50	40	CFGB	
N#CC1=C(N)OC(C2CC2)=C(C#N)[C@H]1c1cccs1	165555	BWGKJMIQQSNJAZ-GFCCVEGCSA-N	269.329	2.743	50	40	CFGB	
C/C(=N\NC(=O)C1CC1)c1sc(C(C)(C)C)nc1C	41699662	PBQJKZFKNPLNTQ-CXUHLZMHSA-N	279.409	2.999	50	40	CFGB	
C/C(CCC(C)C)=N\NC(=O)[C@@H]1COc2ccccc2O1	5164182	OXRHTGZAYCJKRB-YSKWHIJTSA-N	290.363	2.755	50	40	CFGB	
Cn1cccc1/C=N/NC(=O)c1cccc2ccccc12	409098287	PIEQYZSTQXIIDA-LDADJPATSA-N	277.327	2.942	50	40	CFGB	
CCN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)CCl	79414884	ZHGOSUYUJDKQEW-HNNXBMFYSA-N	294.826	2.738	50	40	CFGB	
O=C(CBr)c1ncc(Cl)cc1Cl	71791846	MNFWXYZAQPBKSQ-UHFFFAOYSA-N	268.925	2.966	50	40	CFGB	
CCN(Cc1ccccc1)C[C@H]1CCCN1C(=O)CCl	79414889	ZHGOSUYUJDKQEW-OAHLLOKOSA-N	294.826	2.738	50	40	CFGB	
Cc1ccc(Cl)cc1N1C[C@@H](C(=O)Cl)CC1=O	45952536	WIMHZILNCLHKCG-QMMMGPOBSA-N	272.131	2.767	50	40	CFGB	
I[C@H]1CC[C@@H]2CCC[C@H]1O2	45069858	KDFURHOVIHNTGV-BIIVOSGPSA-N	252.095	2.522	50	40	CFGB	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccccc1	5666309	NAEMRRRYBSQVFH-GJZGRUSLSA-N	297.314	2.842	50	40	CFGB	aggregator
O=C(N/N=C\c1c(Cl)cccc1Cl)[C@@H]1CCCO1	17023906	AVDPQMRWSJPQNX-URXIRXLPSA-N	287.146	2.623	50	40	CFGB	
O=C(Cc1cccs1)N/N=C/c1ccc(F)c(F)c1	8446917	IIEWXFSCLSVKNH-LZYBPNLTSA-N	280.299	2.719	50	40	CFGB	
CC[N+](C)(C)C[C@@H](Br)[C@H](C)Br	3164418	YXIPKWBUPAZNIX-JGVFFNPUSA-N	288.047	2.630	50	40	CFGB	
COc1cc(/C=C(\C#N)C(=O)OC(C)C)cc(Cl)c1O	10213095	QXFYMKBXMNLWOK-ONNFQVAWSA-N	295.722	2.913	50	40	CFGB	
CCCc1[nH]nc2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2	4453459	DDBIFQIHGYOVFO-CYBMUJFWSA-N	298.321	2.719	50	40	CFGB	
N#C/C(=C\c1ccoc1)C(=O)NCc1cccs1	16989788	KGAZIDBHVDYIAD-IZZDOVSWSA-N	258.302	2.564	50	40	CFGB	
CCc1ccc(CC(=O)N/N=C/c2ccc(C)o2)cc1	409364889	RBTGWICRNLIBMQ-GZTJUZNOSA-N	270.332	2.843	50	40	CFGB	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccc(N)c1	5249885	LZHSWQVOFAJFTB-MHENUPEQSA-N	293.370	2.913	50	40	CFGB	
CC1=C[C@@]2(Nc3cc(C(C)C)ccc3O2)C(C#N)=C(N)O1	40546228	SLKVKUMPLORCSQ-INIZCTEOSA-N	283.331	2.938	50	40	CFGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccc(C(=O)O)cc1	3339347	GWNGMASANMGYMX-DHZHZOJOSA-N	282.255	2.523	50	40	CFGB	
C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(C)cc1	5277266	LYPUICNSDGCWSZ-HZGBGQKMSA-N	282.343	2.569	50	40	CFGB	
CCO[Si](CCO[C@H]1CCCCO1)(OCC)OCC	575182307	ZHTRTWAZGJBUTD-ZDUSSCGKSA-N	292.448	2.578	50	40	CFGB	
NNC(=O)CCc1cc2ccccc2c2ccccc12	1577090	VTALPHDAFYCPGU-UHFFFAOYSA-N	264.328	2.916	50	40	CFGB	
O=C(NNc1ccc(Cl)nn1)c1ccc(Cl)cc1	480286	HFMADIOTSFHSSC-UHFFFAOYSA-N	283.118	2.540	50	40	CFGB	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(O)c([N+](=O)[O-])c1	35622958	LTOHYJLVSKGKHN-POHAHGRESA-N	274.276	2.823	50	40	CFGB	
C=CCOc1ccc(/C=C(\C#N)C(N)=S)cc1OCC	33828385	VNRKBQPOVFNNMH-XYOKQWHBSA-N	288.372	2.843	50	40	CFGB	
CN(Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CCl)CC1	242687804	UWEYLTSPTAAWRV-SHTZXODSSA-N	294.826	2.785	50	40	CFGB	
COc1cccc(NC(=O)NNc2ccc(F)cc2)c1	11559443	FPDFBQDQOTZPIV-UHFFFAOYSA-N	275.283	2.983	50	40	CFGB	
CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1C	4166008	COYRUMDPMYWVPK-QMMMGPOBSA-N	264.375	2.792	50	40	CFGB	
N#C/C(=C/c1cccc(F)c1)C(=O)NC1CCCC1	58536717	OMSLOENFFYGVPD-WQLSENKSSA-N	258.296	2.791	50	40	CFGB	
C[C@H](NC(=O)/C(C#N)=C\c1cccnc1)c1ccccc1	6476696	ICQVRIOQAWWANN-ATTDUZETSA-N	277.327	2.866	50	40	CFGB	
CCc1ccccc1NC(=O)CI	48544791	JQWLNQLHYQMQGS-UHFFFAOYSA-N	289.116	2.623	50	40	CFGB	
CCOC(=O)/C(C#N)=C(/S)Nc1c(C)cccc1C	15022700	HIAILPSESUQYPI-ACCUITESSA-N	276.361	2.943	50	40	CFGB	
CCCCC/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	4071307	JUZDXRLZLLZKOB-XNTDXEJSSA-N	277.324	2.820	50	40	CFGB	
Cl[C@@H](CN1CCOCC1)[C@@H](Cl)c1ccccc1	1675251	WSONXBVAEHILOL-STQMWFEESA-N	274.191	2.906	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(C)c(C)c1)c1cccnc1	4646735	IFCMWAJZLLZEBZ-QGOAFFKASA-N	267.332	2.852	50	40	CFGB	
C=CCSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1	2299008	RTTKBENARPAUOI-LBPRGKRZSA-N	286.356	2.650	50	40	CFGB	
Cc1ccc(C(=O)N/N=C2/C[C@H]3C=CC[C@H]23)cc1C	5618080	KWIUMXJFKFDPDT-NAFRVWLBSA-N	254.333	2.985	50	40	CFGB	
NCc1ccccc1P(c1ccccc1)c1ccccc1	97972221	VZWQMZQAMZETMA-UHFFFAOYSA-N	291.334	2.904	50	40	CFGB	
OCc1cc(Br)ccc1CBr	220412967	PAFPIHMSXJSSJT-UHFFFAOYSA-N	279.959	2.836	50	40	CFGB	
N#C/C(=C1\NC(=O)c2ccccc21)c1nc2ccccc2[nH]1	17109531	FZKJGUBCQXGHNE-NTCAYCPXSA-N	286.294	2.698	50	40	CFGB	
COc1ccccc1[C@H]1C(C#N)=C(SC)N=C(O)[C@@H]1C#N	80978	UUKFZGULEZTPDN-ZWNOBZJWSA-N	299.355	2.987	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C/c1c[nH]c2ccccc12	260183	VDNPCDIEIGAGRI-XDHOZWIPSA-N	277.327	2.861	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1	254286	DRWCGVXVGHOJLM-WOJGMQOQSA-N	285.322	2.656	50	40	CFGB	
NC(=O)N/N=C/c1ccc2oc3ccccc3c2c1	1873332	VUUIHFWBLSMELY-LZYBPNLTSA-N	253.261	2.588	50	40	CFGB	
Cc1cc(=O)oc2cc(CBr)ccc12	347563	GPAMBIISWCDPIY-UHFFFAOYSA-N	253.095	2.996	50	40	CFGB	
O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1ccco1	23382692	GGPOFXLOHAWJPT-GZTJUZNOSA-N	295.298	2.540	50	40	CFGB	
O=C(Cc1cccc(F)c1)N1CCSSCC1	89775015	JCRAXNWKYNRKJI-UHFFFAOYSA-N	271.382	2.592	50	40	CFGB	
COc1cccc(/C(C)=N\NC(=O)Cc2cccs2)c1	33322772	VRIXGVXZSDWFON-WJDWOHSUSA-N	288.372	2.840	50	40	CFGB	
C[C@H]1C(C)(C)[C@]23C[C@]12C1(OCCO1)[C@@H]3Br	73371007	GAVFTOXAFOGPIF-GISOBZBCSA-N	273.170	2.559	50	40	CFGB	
CC(C)c1ccc(OCCNC(=O)CCl)cc1	41326108	VBULTIGTLBLMQN-UHFFFAOYSA-N	255.745	2.544	50	40	CFGB	in-vitro
CC[C@@H]1CN1P(=O)(OCCCl)N1C[C@H]1CC	16990680	PVDITTYZCAJDEH-JFHPGOFGSA-N	266.709	2.538	50	40	CFGB	
CN(NC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1	40461071	UGOLRXHDZVYUQA-UHFFFAOYSA-N	286.291	2.768	50	40	CFGB	
C/C(=N\NC(=O)COc1ccc(C)c(C)c1)c1ccco1	226564	DKJLDWHWJTZTPT-GHRIWEEISA-N	286.331	2.816	50	40	CFGB	
CC[n+]1c(NNC(=O)c2ccccc2)ccc2ccccc21	3091442	PETFEIWSNRLNNR-UHFFFAOYSA-O	292.362	2.904	50	40	CFGB	
CCOC(=O)/C(C#N)=C\Nc1nc2ccc(C)cc2s1	101994348	QZNUFBDHGOKQMJ-NTMALXAHSA-N	287.344	2.987	50	40	CFGB	
CC(C)(C)c1n[nH]c2c1[C@H](c1ccco1)C(C#N)=C(N)O2	4592533	IDGBGOXVJYZUAC-JTQLQIEISA-N	284.319	2.518	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(Cl)cc1O	225753894	PEFGCLHCFSXZCW-AGEAXRIDSA-N	290.750	2.973	50	40	CFGB	
COc1ccccc1C(=O)N/N=C/C1CCCCC1	5918795	GQTAPIOUBAWPKI-LFIBNONCSA-N	260.337	2.991	50	40	CFGB	
COC(=O)/C(C#N)=C(C)/C=C/c1ccc(OC)cc1	1568305	FSSNVGAAFDTPRH-CTLAPNPFSA-N	257.289	2.721	50	40	CFGB	
Cn1cccc1/C=C(/C#N)c1ccc(C(=O)O)cc1	408545410	YPEFUOJUAUXZHJ-LCYFTJDESA-N	252.273	2.787	50	40	CFGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccnc1	6389393	PTOXTDNQLOCTAW-UKTHLTGXSA-N	279.299	2.636	50	40	CFGB	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(N)c1	5249886	LZHSWQVOFAJFTB-QWSZEGLUSA-N	293.370	2.913	50	40	CFGB	
CC[C@H](C)n1c(CCC(C)C)ccc1C(=O)NN	226024916	SQGAUGMXBBLYRI-NSHDSACASA-N	251.374	2.651	50	40	CFGB	
C=CCn1c(C)c(/C=C(\C#N)C(N)=O)c2ccccc21	372836	ORBPZQVTPBLVLC-FMIVXFBMSA-N	265.316	2.528	50	40	CFGB	
CC(C)CCN1C(=O)c2ccc(C(=O)Cl)cc2C1=O	1772715124	DCQPSNMUKSHPPY-UHFFFAOYSA-N	279.723	2.708	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C2/C[C@@H]3CC[C@@H]2C3)cc1	100233099	FGXBZQCQCXYCLX-CPQALAHRSA-N	272.348	2.991	50	40	CFGB	
O=C(NNC(=O)c1cccc2ccccc12)c1cccs1	320242	ZQCNAAMRGAOKAK-UHFFFAOYSA-N	296.351	2.976	50	40	CFGB	
N#C/C(=C/c1nccn1CC(F)(F)F)c1ccccn1	60376209	JOMYCYJPPZZXRP-YFHOEESVSA-N	278.237	2.905	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(F)c2)cc1	408946429	AAPGIYWVQZQFND-WOJGMQOQSA-N	270.307	2.827	50	40	CFGB	
CC(C)(C)OC(=O)NC(C)(C)c1noc(CCl)n1	38342370	LCKVJSWRLFHGCR-UHFFFAOYSA-N	275.736	2.568	50	40	CFGB	in-vitro
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N/N=C/N(C)C	5735740	HQSDMDPBSJPNOS-IOGXLGPMSA-N	269.389	2.678	50	40	CFGB	
Cc1cccc(OCC(=O)N/N=C\c2cccc(O)c2)c1C	30838839	MJLGZQBIJRSDIQ-ZDLGFXPLSA-N	298.342	2.538	50	40	CFGB	
O=C(NNc1ccc(F)cc1)[C@@H]1C[C@H]1c1ccco1	49376426	UOWFAHORFHRYFC-VXGBXAGGSA-N	260.268	2.666	50	40	CFGB	
COc1cccc(/C=N\NC(=O)Nc2ccccc2)c1O	48660963	GWXHTLBLIOXNHK-YBEGLDIGSA-N	285.303	2.556	50	40	CFGB	
O=C(Cl)c1cc(Br)c2[nH]cnc2c1	73633893	HXVLUPFSLKQSIB-UHFFFAOYSA-N	259.490	2.704	50	40	CFGB	
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCl	79420790	OROBEUOHGKIVGF-UHFFFAOYSA-N	270.716	2.571	50	40	CFGB	
CC(C)c1ccc(Nc2nc(CC(=O)NN)cs2)cc1	223449979	BOHIRIPLLPPFTP-UHFFFAOYSA-N	290.392	2.543	50	40	CFGB	
CCCn1c(CC2CCCCC2)ccc1C(=O)NN	226023750	BDVPYHMMFUVSDG-UHFFFAOYSA-N	263.385	2.624	50	40	CFGB	
CCN1c2ccc(/C=N/NC(N)=O)cc2[C@@H](C)CC1(C)C	223527498	OGDRSNIAEYFMGE-HPAYWCODSA-N	288.395	2.801	50	40	CFGB	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(N)=S	5569169	AIVYBGKWUUJUJO-YVMONPNESA-N	256.252	2.898	50	40	CFGB	
O=C(O)[C@@H](c1ccccc1)[C@@](O)(CCl)c1ccccc1	1593512	PQOAUXGNUMAXPW-GDBMZVCRSA-N	290.746	2.981	50	40	CFGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)C1CCCCC1	358531	UPLXQDDPKDZNQW-MDWZMJQESA-N	281.337	2.687	50	40	CFGB	
COc1cccc(C(=O)N/N=C/c2ccc(C)s2)c1	2738528	QFAWXWHAQBCHPE-OQLLNIDSSA-N	274.345	2.829	50	40	CFGB	
C/C(N)=C(\C#N)c1csc(-c2ccccc2[N+](=O)[O-])n1	102698764	KVVUFQFGIWLFHZ-NTMALXAHSA-N	286.316	2.932	50	40	CFGB	
O=C(Cn1ccc2ccccc21)N/N=C/c1ccc(F)cc1	4676520	XLXWDNODEKBFLP-YBFXNURJSA-N	295.317	2.931	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(Br)o1)c1ccco1	15938351	ZJKYDFBSMAYOHT-NTUHNPAUSA-N	297.108	2.789	50	40	CFGB	
NS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	97957418	LHTIHFUKCUWZLK-UHFFFAOYSA-N	283.243	2.991	50	40	CFGB	in-vitro
C[C@@]1(CBr)[C@@H]2CC[C@@]1(C)C1(C2)OCCO1	4285574	ZFQSVMJONXGVIO-GMTAPVOTSA-N	275.186	2.951	50	40	CFGB	
O=C(N/N=C/C=C/c1ccccc1)c1ccccn1	2210728	YOVZDLVBJIJMEF-YIERNNEGSA-N	251.289	2.511	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)o1	11566035	WNWIRJXEWQRZBA-VCHYOVAHSA-N	281.315	2.762	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1C1CC1	22990230	CGZKKZUIBFICKJ-RIYZIHGNSA-N	271.364	2.871	50	40	CFGB	
O=C1C[C@H](C2c3ccccc3-c3ccccc32)C(=O)O1	103698505	KLIHCORFUVGFJL-CQSZACIVSA-N	264.280	2.889	50	40	CFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccc2ccccc2n1	138963855	YUGDJJZAHFVESW-NDALVIQVSA-N	277.327	2.917	50	40	CFGB	
Cc1cc(C(=O)NN)c(C)n1-c1ccc(C(F)(F)F)cc1	223714426	XXGCAFXMJPEEFA-UHFFFAOYSA-N	297.280	2.716	50	40	CFGB	
Cc1ccccc1NC(=S)NNC(=O)c1ccccc1	16215168	BQUBRSIEIZIXQE-UHFFFAOYSA-N	285.372	2.626	50	40	CFGB	
O=C(C1=C(N2CCCCC2)[C@@H](Cl)C1=O)c1ccccc1	367458	RUJLUCBGZRPUKW-CYBMUJFWSA-N	289.762	2.799	50	40	CFGB	
CCCCC(=O)C1C(=O)[C@@H](Cl)C(C)(C)[C@@H](Cl)C1=O	102969158	UKAAYCSISHDROO-FOGGPMGISA-N	293.190	2.755	50	40	CFGB	
CC(C)(C)OC(=O)NNC1=C(C(=O)C(F)(F)F)CCC1	4599595	MNRKXLSRERXHPW-UHFFFAOYSA-N	294.273	2.585	50	40	CFGB	
Cc1ccc(C(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cc1[N+](=O)[O-]	5547390	DQXMFHHVERXHKZ-KTIPYJLNSA-N	285.303	2.585	50	40	CFGB	
C/C(=N\NC(=O)c1cc(Cl)ccc1O)C(C)C	5632676	GOUAKYNCTBTJTF-RIYZIHGNSA-N	254.717	2.807	50	40	CFGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(F)cc1	409382003	JTEKHUNGGKDURB-ZROIWOOFSA-N	283.306	2.921	50	40	CFGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccncc1	3233936	XHWYLENSDCBWFE-MCGVVMAKSA-N	269.348	2.683	50	40	CFGB	
CC(C)=C1C(=O)OC(=O)/C1=C/c1cn(C)c2ccccc12	100479031	KHUITRFQRYFKER-MDWZMJQESA-N	281.311	2.982	50	40	CFGB	
COc1ccc([C@@H](NC(=O)CCl)C(C)C)cc1	12505005	JNLOFGIIULWZQS-ZDUSSCGKSA-N	255.745	2.747	50	40	CFGB	
CCC[C@H](C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	115453	PKZSLSOLFRCPGF-TVQRCGJNSA-N	260.337	2.770	50	40	CFGB	
O=C(CCCCl)CC(O)(C(F)(F)F)C(F)(F)F	1627460	ARMZHMFYYMRUOR-UHFFFAOYSA-N	286.599	2.820	50	40	CFGB	
CCCCCC(=O)N/N=C/c1ccc(OC)c(OC)c1	2756029	CELBSOXUDINWMU-LFIBNONCSA-N	278.352	2.734	50	40	CFGB	biogenic
Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NN)(C4)C2)C3)cc1	100400572	WIIPTUCEIVCYAP-DIOPXHOYSA-N	284.403	2.823	50	40	CFGB	
N#CCCn1cc(/C=C(\C#N)C(=O)O)c2ccccc21	23990610	KXCYFQMALLKTLN-DHZHZOJOSA-N	265.272	2.547	50	40	CFGB	
CC[C@@]1(c2ccc(/N=C/CCl)cc2)CCC(=O)NC1=O	100158661	RMYIJEJOMGPTLW-ADFUCPMPSA-N	292.766	2.712	50	40	CFGB	
Cc1cc(C)nc(SCC(=O)NN=C2CCCCC2)n1	5379539	WWQVYACMBVVFIV-UHFFFAOYSA-N	292.408	2.622	50	40	CFGB	
Cc1ccccc1NC(=S)NNC(=O)c1cccs1	6632910	FIBGBXIJMKPAQZ-UHFFFAOYSA-N	291.401	2.688	50	40	CFGB	
N#CC1=C(N)Nc2nc3ccccc3n2[C@@H]1c1ccccc1	4813274	VIWIFCMSQWJCHM-OAHLLOKOSA-N	287.326	2.745	50	40	CFGB	
CC(C)c1ccc(/C=N\NC(=O)c2ccncc2)cc1	31729317	DQCYGHZYQXQFRU-WQRHYEAKSA-N	267.332	2.969	50	40	CFGB	
NNC(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1	41127568	XCEJLMKLPJYZHU-UHFFFAOYSA-N	287.706	2.752	50	40	CFGB	
Cc1c(Cl)cccc1N1C[C@H](C(=O)Cl)CC1=O	45952505	NTIBZEYUHYBQCJ-MRVPVSSYSA-N	272.131	2.767	50	40	CFGB	
N=c1ccn(C[C@H](Cl)COc2ccccc2)cc1	17020109	LLXBGALBSOIZFE-LBPRGKRZSA-N	262.740	2.654	50	40	CFGB	
COc1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1	100160870	CPNKLRCSVDVGQD-UHFFFAOYSA-N	270.240	2.798	50	40	CFGB	
O=C(CSc1nc2ccccc2o1)NN=C1CCCC1	311989	XKXGOCFYYKPTNG-UHFFFAOYSA-N	289.360	2.966	50	40	CFGB	
O=C(Cl)c1cc2nc(C3CC3)cc(C(F)F)n2n1	2564268	KQSGTOGYKYKFPT-UHFFFAOYSA-N	271.654	2.923	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1ccc2c(c1)OC(C)(C)O2	102140292	PCLUNRONBDTOFR-MDZDMXLPSA-N	288.303	2.576	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1ccccc1OC(F)F	6939730	NQYHCPPLBFJCBJ-JXMROGBWSA-N	267.231	2.758	50	40	CFGB	
Clc1ccc(-n2cc(CBr)nn2)cc1	52225061	WJZPLBUTOBELLV-UHFFFAOYSA-N	272.533	2.816	50	40	CFGB	
COc1ccccc1-c1ccc(/C=C(/C#N)C(N)=O)cc1	96428776	DDXUWDZSLQFTTK-UVTDQMKNSA-N	278.311	2.754	50	40	CFGB	
COC(=O)N/N=C1/CCCc2[nH]c3ccc(F)cc3c21	83891331	ILHWSXXDGWVQEC-ATVHPVEESA-N	275.283	2.703	50	40	CFGB	
O=C(N/N=C\c1ccc[nH]1)c1ccc(Br)cc1	35461237	BYWLZMOZFJTZGG-NVNXTCNLSA-N	292.136	2.541	50	40	CFGB	
COC[C@H]1O[C@H](Cl)C[C@@H]1OC(=O)c1ccc(C)cc1	390823297	YHTPSMRYOGNPTR-XQQFMLRXSA-N	284.739	2.521	50	40	CFGB	
Cc1cc(C(=O)NNC(=O)Nc2ccccc2)cs1	13324063	ZPNKUPWRJFSSKA-UHFFFAOYSA-N	275.333	2.523	50	40	CFGB	
CCCCNP(=O)(N1C[C@H]1CC)N1C[C@H]1CC	301054385	BNYKFJHKVHYOIL-NLJLKESJSA-N	259.334	2.673	50	40	CFGB	
CCCOc1ccccc1/C=C(/C#N)C(=O)OCC	35681239	NDZQTHDQTWOUEC-RAXLEYEMSA-N	259.305	2.945	50	40	CFGB	
Cc1ccc(OCC(=O)NNc2ccc(F)cc2)cc1C	45971878	BONKGBTZMWHKNB-UHFFFAOYSA-N	288.322	2.965	50	40	CFGB	
NNC(=O)Cc1cccc2cc(Cl)c(Cl)cc12	1745890	KCOFJLPCMKRYTC-UHFFFAOYSA-N	269.131	2.679	50	40	CFGB	
O=C(N/N=C/c1ccco1)[C@H]1C[C@@H]1c1ccccc1	3157802	QFXRPRZJDAYKGA-OACWRPJVSA-N	254.289	2.533	50	40	CFGB	
Cc1ccc(N2C(=O)C[C@@]3(C[C@@H](Cl)N=N3)C2=O)cc1C	5146753	KLUWSYOLLSYEOK-FZMZJTMJSA-N	291.738	2.726	50	40	CFGB	
CO[C@@H](C(=O)N/N=C(\C)c1ccccc1O)c1ccccc1	16136806	XMUKMNNOOGRDQU-YAJBTMAUSA-N	298.342	2.620	50	40	CFGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(N)=O)c1C	408963877	BDBGCWWWWYPGQA-VCHYOVAHSA-N	284.363	2.659	50	40	CFGB	
CC(C)CCC[C@H](C)CCNCCSS(=O)(=O)O	31333111	JCONBDKVSVCZHB-LBPRGKRZSA-N	297.486	2.965	50	40	CFGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1	40889213	ZNDSLJWGLZOKSM-JYRVWZFOSA-N	292.294	2.961	50	40	CFGB	
O[C@H](CBr)COc1ccc2ccccc2c1	96511361	TXJXFSTXXGUCPK-GFCCVEGCSA-N	281.149	2.974	50	40	CFGB	
C[C@H](Cl)[C@@H]1OC([C@@H](C)Cl)O[C@H]([C@H](C)Cl)O1	256011941	XTQUGQZRFTWKFM-DZOAXAFQSA-N	277.575	2.910	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1ccc(Br)cc1	5315163	MJGTUYOCBQBORS-YFHOEESVSA-N	280.121	2.919	50	40	CFGB	
CO[C@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccccc1	66539	SVJGIPSBCMGCES-KLHWEVKASA-N	294.354	2.699	50	40	CFGB	
Cc1cccc(N/C=C/C(=C(C#N)C#N)N(C)C)c1	100924330	NIFAOQFRVCSSLJ-BQYQJAHWSA-N	252.321	2.783	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)[C@@H](C)Nc2ccccc2C)n1	235102	YLPLYCUDPAKCML-XWAFYUISSA-N	296.374	2.649	50	40	CFGB	
Cc1ccc(NC(=O)NC(=O)[C@@H](C)Cl)c(C)c1	12505727	GNTGXHMDPYNLPZ-SECBINFHSA-N	254.717	2.579	50	40	CFGB	
COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)Cl)c1	35222673	FPWVMSYDJHLVBY-DTWKUNHWSA-N	271.744	2.508	50	40	CFGB	in-vitro
CCN(C(=O)CCl)[C@H]1CCCN(Cc2ccccc2)C1	79393710	IATOYQCUOIQASY-HNNXBMFYSA-N	294.826	2.738	50	40	CFGB	
ClCCN(CCCl)B1SCCCS1	195762588	ZHPIBNWMQFJTGI-UHFFFAOYSA-N	258.048	2.621	50	40	CFGB	
COC(=O)[C@@H](Br)c1ccc(F)c(C)c1	82569926	QWUVVGRLAFJMPM-VIFPVBQESA-N	261.090	2.743	50	40	CFGB	
O=C1c2cccc(Br)c2O[C@@H]1Br	98210840	WPJFQNKSCDDAFL-QMMMGPOBSA-N	291.926	2.745	50	40	CFGB	
CCOC(=O)/C(C#N)=C(\S)Nc1c(C)cccc1C	100014473	HIAILPSESUQYPI-QBFSEMIESA-N	276.361	2.943	50	40	CFGB	
N#Cc1ccc(C(=O)N/N=C/c2ccsc2)c(F)c1	561599	IBGMLNVYOHEBDP-FRKPEAEDSA-N	273.292	2.523	50	40	CFGB	
CCOC(=O)[C@@H](Cl)c1cccc(OC)c1OC	5575519	TWDQFNWHHWLOIZ-JTQLQIEISA-N	258.701	2.547	50	40	CFGB	
CCOC(=O)C(C#N)=C1C=CN(c2ccccc2)C=C1	567576	UHHAOIQJKCBCNI-UHFFFAOYSA-N	266.300	2.917	50	40	CFGB	
C/C(=N\NC(=O)c1ccccn1)c1cccc(C)c1	16989328	VJVOCXOGQFGJMM-SFQUDFHCSA-N	253.305	2.544	50	40	CFGB	
O=C(CCl)N1CCC(Cc2ccccc2)CC1	869658	NESGURPSHDOKFU-UHFFFAOYSA-N	251.757	2.707	50	40	CFGB	
CCc1cccc2c(/C=C(\C#N)C(=O)OCCOC)c[nH]c12	6209392	CTMFYMAULUYQLH-UKTHLTGXSA-N	298.342	2.827	50	40	CFGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2F)o1)C(N)=O	408600941	HMMPMROBPFGVOX-VMPITWQZSA-N	274.226	2.617	50	40	CFGB	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC1CCCC1	5750137	QMDSVAPXUFDFMP-XFXZXTDPSA-N	258.296	2.791	50	40	CFGB	
C/C(=N/NC(=O)[C@@H]1CCCO1)c1cccc2ccccc12	5329135	PREJJHUWWGSOOO-JIHKLPAASA-N	282.343	2.859	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(Br)o1)C(C)C	482777	KUIIVESZDBDZRI-KPKJPENVSA-N	273.130	2.804	50	40	CFGB	
O=C(CCc1cccs1)NNc1ccccc1[N+](=O)[O-]	9364223	QNJJZTBQYQXKAG-UHFFFAOYSA-N	291.332	2.732	50	40	CFGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccccc2O)c1	409365435	QTNLSXASNZMRMD-WQRHYEAKSA-N	282.343	2.702	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2ccccc2)c(OC)c1	34701410	FIEDHKNJBYFUKJ-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
O=S1(=O)C[C@H](Cl)[C@H](Sc2ccc(Cl)cc2)C1	71605940	NWPMWWNEXNOQGK-VHSXEESVSA-N	297.228	2.837	50	40	CFGB	
CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3cccnc3)[C@@H]1C2	103157061	LORHZZVWZDYJHW-BCZDJZIOSA-N	269.348	2.790	50	40	CFGB	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)NC1CCCC1	48639508	FKGCZKDMOJPXBR-BJMVGYQFSA-N	291.332	2.622	50	40	CFGB	
Cc1ccc(Cc2ccc(C(=O)NN)n2CC(C)C)cc1	226029451	RMWAWEYYXCYUHY-UHFFFAOYSA-N	285.391	2.647	50	40	CFGB	
O=C(CCl)N1CCc2sc(Br)cc2C1	95097547	ULUAJGJUIRRDNC-UHFFFAOYSA-N	294.601	2.634	50	40	CFGB	
O=C(N/N=C/c1ccco1)c1ccc(Cl)c([N+](=O)[O-])c1	486710	BTIGCILHVNBJKN-VGOFMYFVSA-N	293.666	2.605	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)s1)c1ccccn1	2744204	KVIBPAUXDIVNSE-VGOFMYFVSA-N	265.725	2.560	50	40	CFGB	
CCOC(=O)C(C#N)=Cc1ccccc1Br	1857793018	XJDUYGRZQWFBHZ-UHFFFAOYSA-N	280.121	2.919	50	40	CFGB	
C#CCOc1c(Cl)cc(C=C(C#N)C#N)cc1OC	7000398	ZGBJFGQXVJBKRB-UHFFFAOYSA-N	272.691	2.791	50	40	CFGB	
ClCc1cn2ccc(I)cc2n1	1776011099	COEKLJMGPASOGJ-UHFFFAOYSA-N	292.507	2.678	50	40	CFGB	
C/C(=N/NC(=O)CNc1ccccc1C)c1ccco1	16362959	IANZGYGRBARGBY-ATVHPVEESA-N	271.320	2.540	50	40	CFGB	
O=C(N/N=C1/CCCCCN1)Nc1cccc(Cl)c1	238558	GQHCNTADKUIZFN-UHFFFAOYSA-N	280.759	2.939	50	40	CFGB	
CCc1c(CBr)c(=O)[nH]c2ccccc12	8649199	ZXNDWHFOBLTUIW-UHFFFAOYSA-N	266.138	2.985	50	40	CFGB	
COc1c(C(=O)Cl)csc1Br	2170108	XJAKJJYSTWMFHS-UHFFFAOYSA-N	255.520	2.898	50	40	CFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1c[nH]c2ccccc12	4646956	JALLLIKXFDZDCP-YEOQKDGKSA-N	265.316	2.850	50	40	CFGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	6679339	CWQWNDSPVDAYJB-LCYFTJDESA-N	294.310	2.946	50	40	CFGB	
O=C(CCl)n1c(-c2cccnc2)nc2ccccc21	26438624	IHRPJUNROQDDOZ-UHFFFAOYSA-N	271.707	2.977	50	40	CFGB	
O=C1c2ccccc2C(=O)N1Cc1nc(CCl)cs1	32154506	GXAMTAGCMWNSKW-UHFFFAOYSA-N	292.747	2.678	50	40	CFGB	
CC1=CC(C)(C)N([C@H](C(=O)NN)C(C)C)c2ccccc21	260625082	YWMZJUXHXCUZRL-HNNXBMFYSA-N	287.407	2.703	50	40	CFGB	
CC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)cc1	566667	POIMMJPMXWGKNN-YBFXNURJSA-N	293.326	2.607	50	40	CFGB	
C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1cc(C)ccc1C	408588262	ISDHXVFOAQSBCB-WFVLPUPGSA-N	296.370	2.877	50	40	CFGB	
COc1cccc(/C=N/NC(=O)c2ccc(C)cc2OC)c1	408750081	XFCNNKSNBRQVLU-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
CCO[P@@](=O)(c1ccccc1)c1ccccc1O	68600592	UYLFKUBRDJHVAO-SFHVURJKSA-N	262.245	2.658	50	40	CFGB	
C/C(=N\NC(=O)NC[C@H]1CCCO1)c1cc(C)sc1C	98055375	MCIRTSYEHRHQPK-HMHNVIDESA-N	295.408	2.567	50	40	CFGB	
CC(=O)N/N=C/c1ccccc1OCc1cccc(F)c1	409021152	YJRZVHFZYUUMAA-VCHYOVAHSA-N	286.306	2.875	50	40	CFGB	
COC(=O)c1cc(F)c(CBr)c(F)c1	307221095	PKISEQRQCNGSCM-UHFFFAOYSA-N	265.053	2.646	50	40	CFGB	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1	5715314	CJFUMMPHZMJSED-LQELWAHVSA-N	272.348	2.907	50	40	CFGB	
COc1cccc(C(=O)N/N=C/c2cc(C)c(O)c(C)c2)c1	6281084	HRZDRNHHLRYEIY-VCHYOVAHSA-N	298.342	2.782	50	40	CFGB	
CCCCC[C@@H]1C(C#N)(C#N)C(C#N)=C(N)[C@@]1(C)C(C)=O	4730113	TYCWMFATFKKFOU-ZFWWWQNUSA-N	284.363	2.562	50	40	CFGB	
O=C(NN[C@H]1CCCC/C1=N/O)Nc1cccc(Cl)c1	101292733	ACKUADUIJWOQGZ-YXQUIRMVSA-N	296.758	2.739	50	40	CFGB	
COc1cc(-c2nc(CCl)no2)cc(OC)c1OC	1731418	ZEBQWEKMFQOJGB-UHFFFAOYSA-N	284.699	2.501	50	40	CFGB	
C/C(=N\NC(=O)c1cccs1)c1ccc2c(c1)OCO2	5163961	BNAWLQHQPNMGFU-OQLLNIDSSA-N	288.328	2.631	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1ccc(Br)cc1Cl	96428784	NYENZXLCZIVMEI-XBXARRHUSA-N	299.555	2.755	50	40	CFGB	
Cn1cc(/C=N/NC(=O)c2ccccc2O)c2ccccc21	344870	TXQMRHKCTVZVNJ-VCHYOVAHSA-N	293.326	2.648	50	40	CFGB	
CCOc1ccc(CC(=O)N/N=C(\C)c2cccnc2)cc1	15933873	ISUFFHRIZQUVKB-CPNJWEJPSA-N	297.358	2.563	50	40	CFGB	
CNC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21	20716311	GDFWJBQQIXZWAM-UHFFFAOYSA-N	281.359	2.967	50	40	CFGB	
CCCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1	2702613	NBCSLAXITUCOBH-WOJGMQOQSA-N	283.331	2.634	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)c1sc(C)nc1C	3173635	DEGUKDWDVVEOCB-OVCLIPMQSA-N	289.360	2.532	50	40	CFGB	
O=C(CCl)NCc1ccccc1C(F)(F)F	57375413	VLDNZEYYIZXNEL-UHFFFAOYSA-N	251.635	2.560	50	40	CFGB	
O=C(N/N=C1\C[C@@H]2C=CC[C@H]12)c1ccc2ccccc2n1	20926570	YUGDJJZAHFVESW-YMGJWICHSA-N	277.327	2.917	50	40	CFGB	
C/C(CCC(C)C)=N\NC(=O)Cc1cn2ccsc2n1	5070585	AYQIBTHDIAGSBO-LFIBNONCSA-N	292.408	2.867	50	40	CFGB	
Cc1cc(C)nc(NNC(=O)c2c(F)cccc2Cl)n1	65623323	OIBUTRKRNNCVSN-UHFFFAOYSA-N	294.717	2.643	50	40	CFGB	
Cc1ccc(C(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)cc1C	5618082	KWIUMXJFKFDPDT-PLOGBLAWSA-N	254.333	2.985	50	40	CFGB	
CC(C)[C@H](Br)C(=O)N1CCC[C@H](C)C1	19427656	GELBNQNILVXHBL-UWVGGRQHSA-N	262.191	2.664	50	40	CFGB	in-vitro
Cc1cc(N(Cc2ccccn2)C(=O)CCl)ccc1O	199756144	NYYYPWXUWYIHCG-UHFFFAOYSA-N	290.750	2.868	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2ccc(C)cc2[C@H](C)CC1(C)C	260625033	YBZANMSMXQWIMT-TZMCWYRMSA-N	289.423	2.856	50	40	CFGB	
O=C(CBr)c1ccc(F)c(F)c1F	82556175	AYNKOTZEDGHCPM-UHFFFAOYSA-N	253.017	2.682	50	40	CFGB	
CCOC(=O)c1ccc2nc(NC(=O)CCl)sc2c1	12016238	DVCVCFKHXXVFBX-UHFFFAOYSA-N	298.751	2.650	50	40	CFGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1	254036	SRFNFCGAGRFMLK-VGOFMYFVSA-N	293.279	2.559	50	40	CFGB	
CCOc1ccc([C@H]2OC[C@H](CCl)O2)cc1OC	1689346	PVVFEBSSVWPLQF-GWCFXTLKSA-N	272.728	2.747	50	40	CFGB	
CC(Br)(Br)CBr	2579087	IELJYJRPJJILHQ-UHFFFAOYSA-N	280.785	2.887	50	40	CFGB	
Nc1nc(CCCl)nc2sc3c(c12)CCCC3	8390506	LMEYJQHHUWTOFB-UHFFFAOYSA-N	267.785	2.934	50	40	CFGB	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2	96663108	CSESKROEAWQEBS-WQLSENKSSA-N	271.316	2.980	50	40	CFGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1ccccc1C(=O)O	408754527	VTRUIIOMMYUHKY-JLHYYAGUSA-N	293.278	2.897	50	40	CFGB	
O=C(N[C@H](N=C=S)C(Cl)Cl)c1ccccc1	3137457	KFKJAUXBFQCWTG-VIFPVBQESA-N	275.160	2.649	50	40	CFGB	
CC[C@H](Cl)C(=O)c1ccc(N2CCOCC2)cc1	575358641	KFNWAHSZYABNGA-ZDUSSCGKSA-N	267.756	2.723	50	40	CFGB	
CS(=O)(=O)/C(C#N)=C/c1cccc2ccccc12	7713961	NMZVVDHFVBAEFL-UKTHLTGXSA-N	257.314	2.749	50	40	CFGB	
O=C(NNC(=S)Nc1ccc(F)cc1)c1cccs1	2764444	SAOIIQOJJODFKQ-UHFFFAOYSA-N	295.364	2.519	50	40	CFGB	
Cc1cc(CCl)cnc1I	72225946	QFOLNNCYRGWBRY-UHFFFAOYSA-N	267.497	2.733	50	40	CFGB	
COC(=O)[C@]1(CCCl)CCCN1C(=O)OC(C)(C)C	95937402	LYGKJDNGNGLEAB-CYBMUJFWSA-N	291.775	2.558	50	40	CFGB	
CCCC[C@@H](CC)CNC(=O)CI	5553595	CBYKCNOMQHXXCD-SECBINFHSA-N	297.180	2.754	50	40	CFGB	
CC(=O)N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1	561158	GJWJCZGYBTZMPY-GIJQJNRQSA-N	295.264	2.966	50	40	CFGB	
CC(C)(C)OC(=O)NCCCCI	90561320	KJMOGHNVYHTFRG-UHFFFAOYSA-N	299.152	2.726	50	40	CFGB	
O=C1CCC/C(=N/NC(=O)c2ccccc2Cl)C1	103456938	MSLXCUSMACISDJ-DHDCSXOGSA-N	264.712	2.569	50	40	CFGB	
O=C(N/N=C/C1=Cc2ccccc2OC1)c1ccccc1O	2419597	VLVYDTZMJCQYSU-VCHYOVAHSA-N	294.310	2.584	50	40	CFGB	
C/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	5382400	YRJJYCWTARRSMD-KUQJRHMUSA-N	254.717	2.538	50	40	CFGB	
CCCNC(=O)N/N=C1/CCSc2c(F)cccc21	95955784	YXKKEFCVSZLPAK-WJDWOHSUSA-N	281.356	2.735	50	40	CFGB	
C=C(C)COc1ccccc1NC(=O)CBr	35605127	BVCBTUIOENMYKH-UHFFFAOYSA-N	284.153	2.975	50	40	CFGB	
C[C@@H](Br)C(=O)c1ccc([N+](=O)[O-])cc1	57665793	KENDQBRWAPDVHD-ZCFIWIBFSA-N	258.071	2.561	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1ccc(N2CCC(C)CC2)o1	409276689	VCQIQTCTGASFOO-JLHYYAGUSA-N	288.347	2.986	50	40	CFGB	
CCCCc1ccc(C(=O)NNC(=O)c2ccco2)cc1	7959969	JEKJPILLCQJAIP-UHFFFAOYSA-N	286.331	2.697	50	40	CFGB	
CCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	366720	LZLAEGMVMUTVFQ-OQLLNIDSSA-N	287.275	2.715	50	40	CFGB	
Cc1ccccc1COc1cccc(/C=C/C(=O)NN)c1	226338956	HBBQMUUXBFMXEY-MDZDMXLPSA-N	282.343	2.577	50	40	CFGB	
Cc1ccc([S@@](=O)ON(CCCl)CCCl)cc1	1608609	LZWLAMLNYDFSGC-QGZVFWFLSA-N	296.219	2.729	50	40	CFGB	
O=C(C1=C(N2CCCCC2)[C@H](Cl)C1=O)c1ccccc1	367460	RUJLUCBGZRPUKW-ZDUSSCGKSA-N	289.762	2.799	50	40	CFGB	
O/N=C\c1ccc(N(CCCl)CCCl)cc1	4773896	FXVFBBQKGSWGPW-ZROIWOOFSA-N	261.152	2.779	50	40	CFGB	
Cn1c2ccccc2c2cc(/C=C(\C#N)C(N)=O)ccc21	2774810	OZRWXGUYHXFVPI-XYOKQWHBSA-N	275.311	2.724	50	40	CFGB	
C[C@@H]1Cc2ccccc2N1P(=O)(N(C)C)N(C)C	102130796	CHHKRRHSRAVOBA-LLVKDONJSA-N	267.313	2.669	50	40	CFGB	
COCCCNC(=O)/C(C#N)=C/c1c(F)cccc1Cl	7165262	ITAGAWNOXJOYBU-CSKARUKUSA-N	296.729	2.539	50	40	CFGB	
O=C1N[C@H](c2ccc(-c3ccccc3)cc2)C(=O)O1	1772714704	KNGRETQZRRDWHM-CYBMUJFWSA-N	253.257	2.661	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccc(Cl)s2)cn1	4889151	XPMCZCVYTNULSU-VIZOYTHASA-N	279.752	2.869	50	40	CFGB	
O=C(NNc1ccccc1)Nc1ccc2nccnc2c1	408735396	PNZRYNBWXQFUSD-UHFFFAOYSA-N	279.303	2.778	50	40	CFGB	
CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1COO	97972469	YJMDGEVSODXPHG-LBPRGKRZSA-N	265.309	2.968	50	40	CFGB	
Cc1ccc(N[C@@H]2SC(=O)N(CCCl)C2=O)cc1	12113042	SJDSMAJEXKCQLT-SNVBAGLBSA-N	284.768	2.667	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1	315839	AEIZRDCMLIWVRA-UHFFFAOYSA-N	288.734	2.723	50	40	CFGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)n[nH]c2C)cc1	32931547	WZLDMNGJAOZQOH-XYOKQWHBSA-N	296.330	2.581	50	40	CFGB	
O[C@H](CBr)c1cccc(Br)c1	12506180	GWBCVCDOHLICHZ-MRVPVSSYSA-N	279.959	2.877	50	40	CFGB	
O=C(Cl)c1cccc([N+](=O)[O-])c1Br	1705965	BETVLJMOJDGFLC-UHFFFAOYSA-N	264.462	2.736	50	40	CFGB	
O=c1[nH]c(CCl)nc2cc(C(F)(F)F)ccc12	6508147	IFSZOKPUYPFKLT-UHFFFAOYSA-N	262.618	2.681	50	40	CFGB	
CC1(CC(=O)N/N=C/c2ccccc2)SCCS1	7003740	WFWXAHFNRQNCIG-GXDHUFHOSA-N	280.418	2.723	50	40	CFGB	
Cc1c(C(=O)NN)c2ccccc2n1Cc1ccc(F)cc1	216947274	AVIDPSVWLRELCV-UHFFFAOYSA-N	297.333	2.741	50	40	CFGB	
CN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)CCl	79414867	PDRDKSNPCXMMAJ-LSDHHAIUSA-N	294.826	2.785	50	40	CFGB	
N#C/C(=C\c1ccccc1F)C(=O)NCc1ccco1	567482	CNXBWTSJEPBYIZ-XYOKQWHBSA-N	270.263	2.642	50	40	CFGB	
COc1cc2c(cc1OC)C(=O)[C@H](Br)CC2	5432564	LNZYJVLBKAJRTB-SECBINFHSA-N	285.137	2.596	50	40	CFGB	
Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)NN)(C4)C2)C3)cc1	100135059	LNBAWWJKTKKANZ-JDPPGYRCSA-N	299.418	2.758	50	40	CFGB	
COc1cccc(CN(CCCl)CCCl)c1OC	1690725	YSLCSYDRCQRZKQ-UHFFFAOYSA-N	292.206	2.983	50	40	CFGB	
COc1ccc2c(Cl)c(C(=O)NN)sc2c1Cl	342444	UKJQDLAAZHKDBI-UHFFFAOYSA-N	291.159	2.820	50	40	CFGB	
CSc1ccccc1C(=O)NNc1nc(C)cc(C)n1	11333640	CNJIYQSEZSUOHT-UHFFFAOYSA-N	288.376	2.572	50	40	CFGB	
C/C(=N\NC(=O)COc1ccccc1)c1cccs1	4502580	OHJHISCPGPWOJT-RVDMUPIBSA-N	274.345	2.667	50	40	CFGB	
CC(C)C(=NNC(=O)c1ccccc1[N+](=O)[O-])C(C)C	4503707	JFSSOUGKLBCABA-UHFFFAOYSA-N	277.324	2.993	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccnc2)cc1	5547586	WBNYEMDGLIFEQV-NTEUORMPSA-N	263.300	2.936	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(C)c2C)cc1	408786964	YTEFBXXQJFSYPT-LICLKQGHSA-N	269.348	2.714	50	40	CFGB	
C/C(=N/NC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1	33322889	WECVKVNDASDLBY-ATVHPVEESA-N	297.314	2.678	50	40	CFGB	
NNC(=O)c1ccc(OCc2ccc(F)cc2)c(Cl)c1	216815382	QGPVWTSZFDDSRO-UHFFFAOYSA-N	294.713	2.662	50	40	CFGB	
O=C1[C@@H](Br)CCN1c1ccc(Cl)cc1F	82606913	QTXNRSYXEFCNAS-ZETCQYMHSA-N	292.535	2.979	50	40	CFGB	
CCCCCCCC(=O)NNC(=O)c1ccccc1O	3155802	GOFSVBUANOXDRP-UHFFFAOYSA-N	278.352	2.514	50	40	CFGB	
BrCC[C@@H](Br)[n+]1ccccc1	28130	FZAFAXMPMASUCX-QMMMGPOBSA-N	279.983	2.653	50	40	CFGB	
COc1ccc(CC[C@@]2(C)OC[C@@H](CCl)O2)cc1	1677869	ZSAZCHBDTHJWNU-KGLIPLIRSA-N	270.756	2.998	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2cccs2)cc1Cl	563629	BUZNUJRERATWOR-UHFFFAOYSA-N	294.763	2.785	50	40	CFGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(C)=O)cc1OC	409374879	AWHLNSOTNVGFPA-PTPOTIKZSA-N	298.770	2.996	50	40	CFGB	
O=C(N=C=S)c1ccc([N+](=O)[O-])cc1Br	73638363	DPQLPTICTFQXIF-UHFFFAOYSA-N	287.094	2.600	50	40	CFGB	
CCn1c(CNC(=O)CCl)cc2ccccc21	98063756	PEAAZTGSQWMLAU-UHFFFAOYSA-N	250.729	2.516	50	40	CFGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(N)=O)cc1OC	5980751	SBFPVFXUOPLFJI-XUNMKLQISA-N	299.758	2.528	50	40	CFGB	
COC(=O)c1ccc(SCCC(=O)CCl)cc1	1572306	HQSLCOZBIAMRMS-UHFFFAOYSA-N	272.753	2.763	50	40	CFGB	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	1596289	GVFAAEZPGJXBRI-UHFFFAOYSA-N	273.244	2.823	50	40	CFGB	
CCOC(=O)N[C@H](OCCCl)C(Cl)(Cl)Cl	2141171	PMIYFSFAOJGQLS-RXMQYKEDSA-N	298.981	2.684	50	40	CFGB	
N#C/C(=C/c1cccc(O)c1)c1nc2ccccc2c(=O)[nH]1	4701714	LZRMOFOYRUBSNY-WQLSENKSSA-N	289.294	2.693	50	40	CFGB	
O=C(Cn1ccc2ccccc21)N/N=C/Cc1ccccc1	4561035	HCUNVNKOQIHLKP-XDHOZWIPSA-N	291.354	2.986	50	40	CFGB	
COCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	6638388	ILCDQIITXQZROY-UHFFFAOYSA-N	283.542	2.736	50	40	CFGB	
CCc1ccc([C@@H]2CC(=O)NC(SC)=C2C#N)cc1	9110321	KMHXNBFCDWSOCO-LBPRGKRZSA-N	272.373	2.951	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C\c2cc(C)ccc2O)cc1	72336294	KJXBKUBDCYJTSD-ZDLGFXPLSA-N	298.342	2.538	50	40	CFGB	
COc1cc(-c2ncon2)ccc1CBr	228938488	PTGKZKJGQXWQQE-UHFFFAOYSA-N	269.098	2.640	50	40	CFGB	
O=C(CBr)c1ccc2ccncc2c1	199752116	HDWFPKFVVZLQCW-UHFFFAOYSA-N	250.095	2.812	50	40	CFGB	
O=C(CBr)c1cncc2ccccc12	199752045	BZIXGCGPOWKTSK-UHFFFAOYSA-N	250.095	2.812	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)o1	5417603	ZCIIYIQURJMPDZ-SOEFBSKWSA-N	260.337	2.864	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(C#N)cc2)cc1	221437	MCXHUOBOVYYVDJ-XDHOZWIPSA-N	277.327	2.560	50	40	CFGB	
COc1ccccc1C(=O)N/N=C(\C)c1ccc(O)cc1	59487050	NSGSVPMILRXMSY-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
O=C1C[C@@H](C2c3ccccc3-c3ccccc32)C(=O)O1	103698501	KLIHCORFUVGFJL-AWEZNQCLSA-N	264.280	2.889	50	40	CFGB	
CC[C@@H](C(=O)NNC(=O)c1ccccc1)c1ccccc1	36685266	QDSUGTUZNKQWRL-OAHLLOKOSA-N	282.343	2.641	50	40	CFGB	
COC(=O)c1c(C(=O)CCl)c(C)n(C(C)C)c1C	4218949	JTGWBCIOCWVQJO-UHFFFAOYSA-N	271.744	2.894	50	40	CFGB	
COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1	408721531	SFTZYWVDOBWCSC-FUFFXPOBSA-N	286.375	2.972	50	40	CFGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N\NC(=O)c1cccnc1	229630854	LORHZZVWZDYJHW-CXAXULKWSA-N	269.348	2.790	50	40	CFGB	
CCOc1ccc(N/C(S)=N/C=C(C#N)C#N)cc1	5499881	IZHMKQHMOBEESQ-UHFFFAOYSA-N	272.333	2.714	50	40	CFGB	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)c1	42435	XASKBVHQFRIXMC-CQSZACIVSA-N	280.331	2.553	50	40	CFGB	
Cc1ccccc1Nc1nc(N)nc([C@@H](C)Cl)n1	9109197	NDWDMUOGXJNXAK-MRVPVSSYSA-N	263.732	2.806	50	40	CFGB	
Cc1c(Cl)cnc(NC(=O)CCl)c1Cl	3267891	HLKNVCUSLHZNDM-UHFFFAOYSA-N	253.516	2.874	50	40	CFGB	
Cc1cc(C(=O)CCl)c(C)n1C[C@H]1CCCO1	3261559	RONLMOPBVPHVIE-LLVKDONJSA-N	255.745	2.705	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OCC)c1	13063205	IBPOZHWTJCSTJG-BJMVGYQFSA-N	295.722	2.914	50	40	CFGB	
C[C@H]1CCC/C(=N\NC(=O)COc2ccc(C#N)cc2)C1	5164451	OIIVVLXQJLSJCF-LBBLGXEFSA-N	285.347	2.619	50	40	CFGB	
CCCN(C(=O)CCl)c1ccc(OC)c(OC)c1	199755195	ZFJPSSSKOFOCQN-UHFFFAOYSA-N	271.744	2.686	50	40	CFGB	
CC1=C(C#N)C(=O)C[C@H](c2ccc(Cl)cc2)N(C)N1	5757411	KMDJILMPXLKKDP-CYBMUJFWSA-N	275.739	2.588	50	40	CFGB	
CC(C)(C)C(=O)/C(C#N)=C\Nc1ccc(-n2cncn2)cc1	2550089	RUTKGZJSYJYWQC-XFXZXTDPSA-N	295.346	2.702	50	40	CFGB	
CC(C)CCC[C@@H](C)CCNCCSS(=O)(=O)O	31333105	JCONBDKVSVCZHB-GFCCVEGCSA-N	297.486	2.965	50	40	CFGB	
BrC[C@H]1CC(Cc2ccccc2)=NO1	138702271	CVKGPWGHPJUUQN-LLVKDONJSA-N	254.127	2.769	50	40	CFGB	
CC(C)N1C(=O)C[C@@H](C)N(C(=O)CCl)c2ccccc21	5515759	OAOBBGFRQCXHPC-LLVKDONJSA-N	294.782	2.792	50	40	CFGB	
O=C(N/N=C/C=C\c1ccccc1)c1ccncc1	6222622	IZMVXNJRIXIGGM-IEZJSQKLSA-N	251.289	2.511	50	40	CFGB	
C/C(=N\NC(=O)COc1cccc(C)c1)c1ccccc1	68910	LDSOZOITEVKVDB-NBVRZTHBSA-N	282.343	2.914	50	40	CFGB	
CN1/C(=C(\C#N)C(=O)C(C)(C)C)Nc2ccccc21	100270091	PEKYNIDDBSNQBQ-GXDHUFHOSA-N	255.321	2.899	50	40	CFGB	
N#CC(Nc1ccccc1C#N)=C1C(=O)c2ccccc2C1=O	150417	NVIMECHDAZOWLR-UHFFFAOYSA-N	299.289	2.827	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1	381278	IZHKGUPKJHLOGW-GZTJUZNOSA-N	268.316	2.768	50	40	CFGB	
CC(C)(C)OC(=O)N1C(=O)OC(=O)[C@@H]1Cc1ccccc1	100438177	MFGBEMRROYABSH-NSHDSACASA-N	291.303	2.512	50	40	CFGB	
COC(=O)N/N=C(\C)c1ccc2ccccc2c1O	105476705	GVAAMHWAYXQWIZ-OQLLNIDSSA-N	258.277	2.625	50	40	CFGB	
COc1ccccc1/C=C/C=N/NC(=O)c1ccc(O)cc1	6674647	NWSTWNLFQVJCPN-AEAXTBIWSA-N	296.326	2.830	50	40	CFGB	
CCCOC(=O)c1ccc(NC(=O)[C@H](C)Cl)cc1	20203509	NLPVBFIARFWQFO-VIFPVBQESA-N	269.728	2.819	50	40	CFGB	
O=C(N/N=C\c1cc(Cl)ccc1O)c1ccccc1O	13842582	HRNBLRJCXQOOTQ-PXNMLYILSA-N	290.706	2.515	50	40	CFGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccncc2)cc1	6209518	XJKXAKIIOMXXNV-GXDHUFHOSA-N	263.300	2.936	50	40	CFGB	
COc1cccc(C(=O)N/N=C/c2cccc(C)c2)c1	4606413	MVRZQBFCAWRPJB-GZTJUZNOSA-N	268.316	2.768	50	40	CFGB	
Cc1ccc(CC(=O)NNc2ccccc2[N+](=O)[O-])cc1	32747746	RCWNCJOYZXFIQZ-UHFFFAOYSA-N	285.303	2.589	50	40	CFGB	
O=C(NNc1ccc(Br)cc1)c1ccco1	6322467	XDXIZOVGGFUEBJ-UHFFFAOYSA-N	281.109	2.799	50	40	CFGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc(F)c1	551016	SERFCUVBUYSFJZ-HNNXBMFYSA-N	282.274	2.749	50	40	CFGB	
Cc1ccc(NC(=O)c2nnc(CCl)s2)cc1	12504940	ILVZAUZSRSHHSM-UHFFFAOYSA-N	267.741	2.838	50	40	CFGB	in-vitro
C/C(=N\NC(=O)c1ccc(O)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2	100063937	PCNFIBVMSMWWPY-NUSAQUPXSA-N	272.348	2.934	50	40	CFGB	
O=C/C=C/c1coc2cc(Br)ccc2c1=O	2090698	NTEKIXHZLWTPEV-OWOJBTEDSA-N	279.089	2.768	50	40	CFGB	biogenic
C[C@H]1C[C@H]1c1ccc(/C=N/NC(=O)c2cccnc2)o1	8263497	LOYOEURRCWKGOQ-UGBVZMPPSA-N	269.304	2.562	50	40	CFGB	
CC[C@@H](NC(=O)CCl)c1ccc2c(c1)OCCCO2	98063779	BSQKXPRAIUZRBX-LLVKDONJSA-N	283.755	2.654	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2)cc1C	409180978	XCHPROLXDPKYEX-LDADJPATSA-N	266.344	2.996	50	40	CFGB	
COc1cccc(/C=N\NC(=O)Cc2ccc(F)cc2)c1	83295603	LCLMKDJUUWWRBE-WQRHYEAKSA-N	286.306	2.527	50	40	CFGB	
O=C(N/N=C/c1ccc2c(c1)CCC2)c1ccccc1O	1714241	WAHZSOZHLCYJJD-WOJGMQOQSA-N	280.327	2.645	50	40	CFGB	in-vitro
CCOC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])c(CC)s1	43815	JTIRLIQHVMGHMQ-YVMONPNESA-N	280.305	2.689	50	40	CFGB	
COc1ccc(/C(C)=N\NC(=O)Cc2ccccc2)cc1	135111	GSKLDCSVBQNXOF-AQTBWJFISA-N	282.343	2.778	50	40	CFGB	
C/C(=N\NC(=O)CNc1ccccc1)c1ccc(C)cc1	221524	FKQXMLVGGPWYGW-XMHGGMMESA-N	281.359	2.947	50	40	CFGB	
N#CC1=C(N)OC(C2CC2)=C(C#N)[C@@H]1c1cccs1	165552	BWGKJMIQQSNJAZ-LBPRGKRZSA-N	269.329	2.743	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/c2ccccc2C)cc1	369901	PNLMJOULEAZQLH-LDADJPATSA-N	282.343	2.696	50	40	CFGB	
Cc1cccc(OCC(=O)NN=Cc2ccccc2)c1	9444314	HQEZYXSVKYFGGZ-UHFFFAOYSA-N	268.316	2.524	50	40	CFGB	
CO/C=C(/C(=O)OC)c1ccccc1CBr	34031405	MGUDGDSNHPKOLL-DHZHZOJOSA-N	285.137	2.742	50	40	CFGB	
O=C(Nc1ccc(F)c(F)c1F)C(Cl)Cl	59608776	YICBFWBJNPXONF-UHFFFAOYSA-N	258.026	2.846	50	40	CFGB	
CC(=O)N/N=C/c1cc2cccc(C)c2nc1Cl	408728673	RCXXVSXWNBHEFA-VIZOYTHASA-N	261.712	2.667	50	40	CFGB	
CCn1cc(/C=N/NC(=O)c2cccnc2)c2ccccc21	33756614	WZDNEWPGDXFYAW-YBFXNURJSA-N	292.342	2.820	50	40	CFGB	
C/C(=N\NC(N)=O)c1ccc(Cc2ccccc2)cc1	80324609	LNDISDITYLEVMK-LDADJPATSA-N	267.332	2.670	50	40	CFGB	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)F	95681922	FDGCJTUAVVJFMB-UHFFFAOYSA-N	294.044	2.520	50	40	CFGB	in-vitro
C[C@H](Br)C(Br)Br	100061832	ZLOLQHBVMYXNHX-REOHCLBHSA-N	280.785	2.886	50	40	CFGB	
CN(/N=C/c1cccnc1)C(=O)OCc1ccccc1	409188735	FYPWVJMFLHZAIJ-GZTJUZNOSA-N	269.304	2.684	50	40	CFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccc(Br)o1	4646730	WRCBFCPBMKOYPQ-IMWXMBRVSA-N	295.136	2.724	50	40	CFGB	
Cc1cccc(OCC(=O)N/N=C\c2cccs2)c1C	9195884	ZHHAKSNMNOPQSB-SXGWCWSVSA-N	288.372	2.894	50	40	CFGB	
CC(C)Oc1ccc(/C=N\NC(=O)c2ccco2)cc1	32573486	ZMTICZPGPPIADR-YBEGLDIGSA-N	272.304	2.831	50	40	CFGB	
O=C(N/N=C/c1cc2ccccc2cc1O)c1ccncc1	342419	RQJSBWIVMPMQSF-YBFXNURJSA-N	291.310	2.704	50	40	CFGB	
CCCOc1ccc([Si](OCC)(OCC)OCC)cc1	575182291	WRMJYLOVQBPHPK-UHFFFAOYSA-N	298.455	2.731	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCCCC2)cc(C)c1O	2665841	VFGLUFSFUHBCIY-XNTDXEJSSA-N	284.359	2.929	50	40	CFGB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCCCl	6126949	ONHSCAYXWGGPGG-UHFFFAOYSA-N	272.688	2.561	50	40	CFGB	
O=C1OC(=O)[C@@H]2[C@H]3CCCC[C@H]3[C@@H]3CCCC[C@@H]3[C@@H]12	104288976	TXZFDXCATILDFU-SNIKSBKOSA-N	262.349	2.929	50	40	CFGB	
CCOC(=O)[C@@H](Cl)/C(C)=N/c1ccccc1N	100011201	YHXYZCGRGQECIM-UXYFDLPDSA-N	254.717	2.532	50	40	CFGB	
COc1cc(C=C(C#N)C#N)ccc1OC(F)F	2766512	OCGXXMZDTXKXOJ-UHFFFAOYSA-N	250.204	2.727	50	40	CFGB	
CCOC(=O)c1c(C2CC2)csc1NC(=O)CCl	3316915	DYKJEQXBCHPIBJ-UHFFFAOYSA-N	287.768	2.980	50	40	CFGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2O)c1	408743921	CLSGGWOFWLRHQZ-JYRVWZFOSA-N	294.310	2.952	50	40	CFGB	
CO[C@@]1(C)C[C@H](NC(=O)/C(C#N)=C/c2ccco2)C1(C)C	96443867	SKWWHHNAFBBZPP-NNBCDOKZSA-N	288.347	2.506	50	40	CFGB	
CC[C@@H](Br)C(=O)N1C[C@@H](C)C[C@H](C)C1	34926251	POXJTHPOIZHMHG-LPEHRKFASA-N	262.191	2.664	50	40	CFGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccccn1	104913	GKFYXSRHHNXJOC-FMIVXFBMSA-N	267.263	2.766	50	40	CFGB	
Cn1c(/C(C#N)=C/Nc2ccccn2)nc2ccccc21	100651348	UGVDXDRUTZMVSM-VAWYXSNFSA-N	275.315	2.945	50	40	CFGB	
N#CC(C(=O)c1ccc([N+](=O)[O-])o1)=C1Nc2ccccc2N1	3198474	PECLQNFZZRFGPP-UHFFFAOYSA-N	296.242	2.643	50	40	CFGB	
CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)OC(=O)[C@H]12	100083323	XLYXLZREVVUOAS-IOSXPMGOSA-N	290.318	2.767	50	40	CFGB	
N#C/C(=C/c1ccsc1)C(=O)Nc1ccc(C(=O)O)cc1	44867275	BMPJWLJVUYFCLH-GHXNOFRVSA-N	298.323	2.992	50	40	CFGB	
N#Cc1ccccc1OCC(=O)NN=C1CCCCCC1	8345883	YTNXNRRZQCIQNY-UHFFFAOYSA-N	285.347	2.763	50	40	CFGB	
Cc1scc(C(=O)N/N=C/c2ccc(N(C)C)o2)c1C	5697389	YBBCCIBKOLTLDZ-VIZOYTHASA-N	291.376	2.788	50	40	CFGB	
Cc1noc(CBr)c1Br	26506455	LUMMMRKLFSUXJX-UHFFFAOYSA-N	254.909	2.640	50	40	CFGB	
COC(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	97001066	ROEWIGZOQDJNEW-VMPITWQZSA-N	276.342	2.952	50	40	CFGB	
C[C@H]1CCC/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)C1	33910162	LNULKSJGQLMVAN-RYPPMWICSA-N	275.308	2.891	50	40	CFGB	
CC(=O)Oc1ccc2oc(=O)cc(CBr)c2c1	16124353	HLRGJDOSEZOZSU-UHFFFAOYSA-N	297.104	2.613	50	40	CFGB	
CCOP(=O)(OCC)/C(C#N)=C\c1cnc(C)[nH]1	8651848	HVBAQAFOELFWMS-WDZFZDKYSA-N	269.241	2.849	50	40	CFGB	
Br[C@@H]1CC[C@H]2O[C@@H]2CC[C@H]1Br	104278214	FDVJISGFGLBDFP-WCTZXXKLSA-N	283.991	2.855	50	40	CFGB	
C[C@H](/C=N/NC(=O)c1cc(O)ccc1O)c1ccccc1	17009174	ASJZDIBCGHSCGO-JDAJCMJVSA-N	284.315	2.617	50	40	CFGB	
C[C@H](/C=N\NC(=O)c1ccccn1)c1ccccc1	5531317	YTAYNFVNXMFEIF-ZSAINHDTSA-N	253.305	2.601	50	40	CFGB	
N#C/C(=C/c1cccc(Cl)c1)C(=O)NCc1ccccn1	6644641	WRKHGPXLIFZZLW-JYRVWZFOSA-N	297.745	2.958	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2F)o1	408601139	IQGNREDKMCPGHW-RMKNXTFCSA-N	288.253	2.878	50	40	CFGB	
C[C@H](Br)C(=O)Nc1cccc(CF)c1	85391290	SQFFWUHMHSULBK-ZETCQYMHSA-N	260.106	2.878	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(N)cc1)c1ccc(C)cc1	12572049	KFTBFABBIIJGQL-LDADJPATSA-N	267.332	2.731	50	40	CFGB	
O=C(N/N=C\C=C/c1ccccc1)c1ccccc1O	17024018	BCGXWFSQSOPZSL-NEFJZHHBSA-N	266.300	2.821	50	40	CFGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCC#N)cc1	8161248	UEHZJTJNAZKZDO-XDHOZWIPSA-N	293.326	2.661	50	40	CFGB	
COc1cccc(C(=O)N/N=C(\C)c2cccs2)c1	5381970	GBBKPLPEASQSRV-XNTDXEJSSA-N	274.345	2.911	50	40	CFGB	
C/C(=N/NC(=O)c1c[nH]c2ccccc12)c1ccccn1	482924	ANVFTVYZRBNRQR-ODLFYWEKSA-N	278.315	2.717	50	40	CFGB	
Cc1cc(C=C(C#N)C#N)c(C)n1C[C@@H]1CCCO1	59109174	CGHDCLLQONFDKJ-HNNXBMFYSA-N	255.321	2.715	50	40	CFGB	
O=C(N/N=C/c1ccco1)c1ccc([N+](=O)[O-])cc1Cl	4131154	QOAJNHLBTPDVJS-VGOFMYFVSA-N	293.666	2.605	50	40	CFGB	
Cc1c(C#N)c(NC(=O)CCl)n(Cc2ccco2)c1C	4205526	YFLFNIONEHANRI-UHFFFAOYSA-N	291.738	2.795	50	40	CFGB	
Cc1ccc2c(c1)C[C@H](CI)O2	85539399	OGCWOTDNVJYLQL-SECBINFHSA-N	274.101	2.734	50	40	CFGB	
CC1=CC[C@H](C)[C@H]([C@H]2OC[C@H](COCCCl)O2)C1	254448489	KKPZXFCAFCLUIS-FQUUOJAGSA-N	274.788	2.976	50	40	CFGB	
O=C(N/N=C/c1ccc(F)cc1)C1[C@H]2CCCC[C@@H]12	18163864	HLWMIIZDSPHJFV-DRBGTVKUSA-N	260.312	2.712	50	40	CFGB	
CCCCc1cc(/C=N/NC(N)=O)c2ccccc2n1	1595129	UBKNLXZQYTXEAD-LICLKQGHSA-N	270.336	2.580	50	40	CFGB	
COC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl	178235	WBKZQBGLSLKTEC-OVCLIPMQSA-N	292.726	2.524	50	40	CFGB	
CCCOc1ccccc1/C=N/NC(=O)c1cccnc1	1923334	VYDMYGDUVMZJOS-LDADJPATSA-N	283.331	2.634	50	40	CFGB	
CN(C)C(/C=C/Nc1ccc(F)cc1)=C(C#N)C#N	100913210	DPRSNFCEBROVIO-BQYQJAHWSA-N	256.284	2.614	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)C(C)C)c(OC)c1	44027319	VUMHYKBGFIQCMU-KPKJPENVSA-N	259.305	2.836	50	40	CFGB	
C/C(=N/NC(=O)c1c[nH]c2ccccc12)c1ccncc1	5381120	PZXHYJPMHGQTMW-ODLFYWEKSA-N	278.315	2.717	50	40	CFGB	
COc1ccc(OC)c(/C=N/NC(=O)C2CCCCC2)c1	6453926	BXEZEKMVQBTCGB-GZTJUZNOSA-N	290.363	2.734	50	40	CFGB	
Cc1ccc(C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1[N+](=O)[O-]	5547394	DQXMFHHVERXHKZ-ZUZJPYFPSA-N	285.303	2.585	50	40	CFGB	
CC(=O)N/N=C(\C)c1ccc(N2CCCCCC2)cc1	6944660	REKBAIHLRSACFW-GHRIWEEISA-N	273.380	2.927	50	40	CFGB	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccccc1	5666955	NAEMRRRYBSQVFH-CABCVRRESA-N	297.314	2.842	50	40	CFGB	aggregator
COc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1	58847	UFMVSAMPTHQQPZ-YBFXNURJSA-N	297.358	2.566	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1cccc(Cl)c1	100501718	WXFLGONMNQJZFA-CMDGGOBGSA-N	250.685	2.722	50	40	CFGB	
O=C(N/N=C\c1cccnc1)c1ccccc1-n1cccc1	4853272	KPQTVSREKYMIPN-UYRXBGFRSA-N	290.326	2.636	50	40	CFGB	
COc1cccc(C(=O)N/N=C2\C[C@@H]3CC[C@@H]2C3)c1	102182492	DDFXZNFQISCFDQ-VAMHUSOUSA-N	258.321	2.601	50	40	CFGB	
CCOc1cccc(/C=N/NC(=O)c2ccccc2O)c1	52410613	MHSVETKFXQAKNI-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
COO[C@](OC)(C(=O)c1ccccc1)c1ccccc1	68604965	OICADAIKWCNQJV-INIZCTEOSA-N	272.300	2.947	50	40	CFGB	
C/C(=N/NC(=O)c1ccc(C)c(C)c1)c1ccccn1	18194488	KCUTYABBDAXUTA-AQTBWJFISA-N	267.332	2.852	50	40	CFGB	
C/C(=N/NC(=O)c1ccc(C)s1)c1cccnc1	15933766	JEYLXXAGVXRBRW-GDNBJRDFSA-N	259.334	2.606	50	40	CFGB	
COc1c(Br)cc(C(=O)O)cc1SC#N	26508518	NNPSVPGXPHYFIH-UHFFFAOYSA-N	288.122	2.729	50	40	CFGB	
CC(=O)N/N=C/c1ccc(-c2ccc(C(C)=O)cc2)o1	409020581	QSHLMKJXMFMHSQ-CXUHLZMHSA-N	270.288	2.619	50	40	CFGB	
Cn1c(SCCCCl)nnc1-c1ccccn1	199746496	MGUWSXALEQFAOZ-UHFFFAOYSA-N	268.773	2.598	50	40	CFGB	
CO[C@H](C(=O)N/N=C(\C)C(C)(C)C)c1ccccc1	15221846	RXIBCFWCXGQILL-XDUBLRSXSA-N	262.353	2.912	50	40	CFGB	
O=C1Nc2cccc(CCBr)c2[C@H]1Cl	100007330	FUHGGNYHOLHJRR-SECBINFHSA-N	274.545	2.856	50	40	CFGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1[C@H]1C=CCCC1	546848	RMXGMFFYIQHSGJ-HZMBPMFUSA-N	270.332	2.690	50	40	CFGB	
C/C(=N/NC(N)=O)c1ccc(Oc2ccccc2)cc1	27327584	HZQVRSPTNCBUEG-BOPFTXTBSA-N	269.304	2.871	50	40	CFGB	
CCc1cccc2c(/C=N/NC(=O)C3CC3)c[nH]c12	3576677	IJSVCTDBUWADKR-RQZCQDPDSA-N	255.321	2.590	50	40	CFGB	
O=C(COc1ccccc1)NN=C1CCCCCC1	6339936	SNQRHWQJKRKFIX-UHFFFAOYSA-N	260.337	2.892	50	40	CFGB	
CCCCCC(=O)N/N=C(/C=N/O)c1ccccc1	4672335	KTVKKEBULFKCQW-KXWVESJESA-N	261.325	2.547	50	40	CFGB	
CCN(CC)c1ccc(/C=N/NC(=O)CC(C)C)o1	408995492	AOAFCJJSWGDALI-XNTDXEJSSA-N	265.357	2.622	50	40	CFGB	
O=C(N/N=C/c1cccc(Cl)c1)c1ccccc1O	257048	DNTBKBGWYRYQHG-CXUHLZMHSA-N	274.707	2.810	50	40	CFGB	
Cc1ccc(C(=O)[C@@H](Br)CC(=O)O)cc1C	19927082	BHPOZWQXQLBHAR-JTQLQIEISA-N	285.137	2.724	50	40	CFGB	
O=C1ON=C(CCl)/C1=C/c1ccc(Cl)cc1	44804561	ZNOXAKLCODEEQV-UITAMQMPSA-N	256.088	2.875	50	40	CFGB	in-vitro
CC(C)C[C@@H](C)/C=N/NC(=O)c1ccc2c(c1)OCO2	4131955	WGXJCYXNBMYBKP-FNQVVVRFSA-N	276.336	2.813	50	40	CFGB	
CC1(CC(=O)N/N=C/c2cccs2)SCCS1	409260362	PGFVUQDUZLDWCY-XYOKQWHBSA-N	286.447	2.785	50	40	CFGB	
CN(Cc1cccc(Br)c1)C(=O)CCl	37987272	XGUBBOUIRLWGBJ-UHFFFAOYSA-N	276.561	2.646	50	40	CFGB	
COc1cc2cnc(CCCCl)nc2cc1OC	504242584	VMTTUEGYELJOTF-UHFFFAOYSA-N	266.728	2.818	50	40	CFGB	
CCC[C@H]1CC[C@H](c2ccc(B(O)O)c(F)c2)CC1	255004115	OZKQZVHMAGMWIN-HAQNSBGRSA-N	264.149	2.579	50	40	CFGB	
Cc1ccsc1/C=C(\C#N)C(=O)NCc1cccnc1	289177	QWEJNWSRYGSBTG-NTUHNPAUSA-N	283.356	2.675	50	40	CFGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccsc1	6251438	YLKMUBYSCUOVDF-VIZOYTHASA-N	294.763	2.931	50	40	CFGB	
N#CC1=C(SCC(=O)c2ccccc2)N2CCC[C@@H]2N=C1	1275395	YNIOTIPYSCCOMI-OAHLLOKOSA-N	297.383	2.844	50	40	CFGB	
Cn1cc(/C=C(/C#N)C(=O)O)c(-c2cc3ccccc3o2)n1	63453936	FMMAFQRCDCNJMM-WDZFZDKYSA-N	293.282	2.825	50	40	CFGB	
CC/C(C)=N/NC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1C	5024014	RGOPSXOLEHHIJX-LZYBPNLTSA-N	288.307	2.900	50	40	CFGB	
CCOc1cc2c(cc1C=C(C#N)C#N)O[C@H](C)C2	6209256	KMMFVMVRRKFHNL-SNVBAGLBSA-N	254.289	2.839	50	40	CFGB	
CC(C)COc1ccccc1/C=N/NC(=O)c1cccnc1	408603009	PQFNOWFREIYJDC-YBFXNURJSA-N	297.358	2.880	50	40	CFGB	
Cc1cccc(O[C@H](C)C(=O)N/N=C\c2ccccc2)c1	32109248	KTWPHBSDJWGMJB-IIMQCXAKSA-N	282.343	2.913	50	40	CFGB	
COc1cccc(C(=O)N/N=C/c2ccsc2)c1	4571990	GERBZORNHJIKEC-RIYZIHGNSA-N	260.318	2.521	50	40	CFGB	
COc1cc([C@@H](O)CCBr)c(OC)cc1C	1611920	JSDZDYSEHXFROL-JTQLQIEISA-N	289.169	2.831	50	40	CFGB	
O=C(NN=C1CCCCC1)c1ccccc1[N+](=O)[O-]	342616	JDCUDAKFVAQMJS-UHFFFAOYSA-N	261.281	2.645	50	40	CFGB	
N#CCn1cc(/C=N\NC(=O)c2ccco2)c2ccccc21	108272369	KRCHSCKBNUTHCU-ZDLGFXPLSA-N	292.298	2.522	50	40	CFGB	
NNC(=O)CCSCc1ccc(Cl)c(Cl)c1	17008045	UKKOMPLEPHFNNF-UHFFFAOYSA-N	279.192	2.607	50	40	CFGB	
O=C1CCC/C(=N/NC(=O)c2ccc(Cl)cc2)C1	103457721	DSEJHJPIEVRTSJ-PTNGSMBKSA-N	264.712	2.569	50	40	CFGB	
O=C(CNC1CCCCC1)N/N=C/C=C/c1ccccc1	409378944	SRJHIZLVLVMDJF-CIOYMBLNSA-N	285.391	2.724	50	40	CFGB	
O=[N+]([O-])c1cc(F)c(CBr)cc1F	117371856	OMRVJTGLMGTMBA-UHFFFAOYSA-N	252.014	2.768	50	40	CFGB	
C[C@@H](Cl)C(=O)c1ccc2c(c1)CCN2C(=O)C1CC1	4967250	GIUSSFRHPPVEFU-SECBINFHSA-N	277.751	2.796	50	40	CFGB	
CC[C@@H](Br)C(=O)OCc1ccccc1	5599219	IAWWKWVHVUNYFP-SNVBAGLBSA-N	257.127	2.903	50	40	CFGB	
CC(/C=C/c1ccccc1)=N/NC(=O)[C@@H](O)c1ccccc1	13564576	JXDVRGMQJDBIDW-SAWJYXGBSA-N	294.354	2.926	50	40	CFGB	
CC(C)(C)C1=C(C#N)[C@H](c2cccnc2)C(C#N)=C(N)O1	86802	HCMFSJBNIXNKEC-ZDUSSCGKSA-N	280.331	2.713	50	40	CFGB	
CP1C[C@H](Br)[C@@H](Br)C1	1701245	OZJBEFRJSJPDFT-WHFBIAKZSA-N	259.909	2.639	50	40	CFGB	
CC/C(=N/NC(N)=O)[C@H](CC)c1ccc(OC)cc1	4701225	VHIYOUYFUXZOFU-CZWGUHTPSA-N	263.341	2.623	50	40	CFGB	
Nc1ccccc1C(=O)NNc1nc2ccccc2s1	507810	BUBDHXBVVJYUJH-UHFFFAOYSA-N	284.344	2.635	50	40	CFGB	
C/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccccc1	27498019	JMVWFISGWAPSKM-XDHOZWIPSA-N	285.322	2.778	50	40	CFGB	
O=C(CCCCCl)Nc1ccc2c(c1)OCO2	20199277	CYOUKDXVXKNXFY-UHFFFAOYSA-N	255.701	2.763	50	40	CFGB	
C/C(=N\NC(=O)COc1ccccc1)c1ccc(F)cc1	13954538	KKZFNHMMQIQEKD-LDADJPATSA-N	286.306	2.745	50	40	CFGB	
C[C@]1(CBr)[C@@H]2CC[C@@]1(C)C1(C2)OCCO1	28120381	ZFQSVMJONXGVIO-OUAUKWLOSA-N	275.186	2.951	50	40	CFGB	
CCc1cccc2c(/C=N/NC(=O)c3cccnc3)c[nH]c12	3344667	ZGBYEWSUVSXDMG-RGVLZGJSSA-N	292.342	2.889	50	40	CFGB	
CCOc1ccc(C(=O)NN(C)c2ccccc2)cc1	14240125	LGRVECCSNVKDCC-UHFFFAOYSA-N	270.332	2.867	50	40	CFGB	
C=C(CBr)C1CCN(C(=O)OCC)CC1	1536047383	MQHZXLTZMIDVSZ-UHFFFAOYSA-N	276.174	2.806	50	40	CFGB	
CC(C)OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1	96669597	XFQLEQABTLOBOR-LCYFTJDESA-N	258.321	2.611	50	40	CFGB	
CCOC(=O)c1ccc(CBr)c(F)c1	34069811	AUOGOIJBXMKMNK-UHFFFAOYSA-N	261.090	2.897	50	40	CFGB	
CO[Si](CCCCCCCC[C@H]1CO1)(OC)OC	196689942	UEFJJFILJJDEFC-ZDUSSCGKSA-N	276.449	2.994	50	40	CFGB	
CCC(CC)C(=O)N[C@@H](O)C(Cl)(Cl)[C@H](C)Cl	1594977	CWXZXUVFQFMCGG-RCOVLWMOSA-N	290.618	2.658	50	40	CFGB	
NNC(=O)c1cccc(COc2ccc(Cl)cc2)c1	2388735	OWDSODANKQISMC-UHFFFAOYSA-N	276.723	2.523	50	40	CFGB	
Cc1occc1C(=O)NNC(=O)c1ccc2ccccc2c1	3435805	SVQKKKFOQLRQQM-UHFFFAOYSA-N	294.310	2.816	50	40	CFGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1	17206982	JRCZUGCKLPIEGD-NTEUORMPSA-N	279.296	2.844	50	40	CFGB	
Cc1cc(C(=O)NN)c(C)n1-c1ccccc1C(C)C	223709003	CLFIPYODCLZGKG-UHFFFAOYSA-N	271.364	2.821	50	40	CFGB	
CC[N+](C)(C)C[C@H](Br)[C@H](C)Br	3164417	YXIPKWBUPAZNIX-YUMQZZPRSA-N	288.047	2.630	50	40	CFGB	
CC(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1	4551556	NYGAUULDKJZDBQ-VCHYOVAHSA-N	286.306	2.875	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)o1	4544355	DNAJFXBNOUDGCL-HMHNVIDESA-N	272.304	2.506	50	40	CFGB	
COc1cccc(CN(C(=O)CCl)C(C)C)c1	32108869	RVTIFSSIAKTYAI-UHFFFAOYSA-N	255.745	2.671	50	40	CFGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)o1	44867284	UGAPMZIKBIZVON-WQLSENKSSA-N	296.282	2.832	50	40	CFGB	
C/C(=N\NC(=O)C(C)(C)C)c1cnc2ccccc2n1	16136804	VAURLWAKRRHDCG-VCHYOVAHSA-N	270.336	2.516	50	40	CFGB	
COC(=O)c1ccc(C(=O)CCCCl)c(C)c1	575362438	LRZVJOKRUVUIJP-UHFFFAOYSA-N	254.713	2.983	50	40	CFGB	
Cc1cccc(OCC(=O)N/N=C\c2ccccc2)c1	31829246	HQEZYXSVKYFGGZ-BOPFTXTBSA-N	268.316	2.524	50	40	CFGB	
O=C(N/N=C/c1ccc(O)cc1O)c1cccc(Cl)c1	498118	QFDQIQWJUZQTJG-LZYBPNLTSA-N	290.706	2.515	50	40	CFGB	
Cc1cc(C)c(C2C(C#N)=C(N)SC(N)=C2C#N)c(C)c1	20344369	QOQPLWOPJMTPRE-UHFFFAOYSA-N	296.399	2.830	50	40	CFGB	
C/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)s1	13953281	OBPSLGRIJVEXPY-OVCLIPMQSA-N	279.752	2.951	50	40	CFGB	
CC(C)=NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1	4525819	AEHOVPDYBQRDBU-UHFFFAOYSA-N	275.352	2.534	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2)cc1Cl	4600301	DVXPOHSWMJMFGZ-UHFFFAOYSA-N	288.734	2.723	50	40	CFGB	
O=C(NNc1nc2ccccc2[nH]1)Nc1ccccc1	16500432	KJPRKPZDTNQBLW-UHFFFAOYSA-N	267.292	2.712	50	40	CFGB	
COc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1	31723631	OOKLGKSLBUQUPM-BOPFTXTBSA-N	268.316	2.768	50	40	CFGB	
COc1ccc(/C=C2/C(=O)OC(=O)c3ccccc32)cc1	70664815	ZILJDWATZLTEPU-XNTDXEJSSA-N	280.279	2.933	50	40	CFGB	biogenic
COC(=O)[C@H](Cl)c1ccccc1Br	50978013	WZYLIRVBGHOEBU-MRVPVSSYSA-N	263.518	2.902	50	40	CFGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1CC=C	59334794	RFDYBNOQWHXCFG-VBKFSLOCSA-N	296.370	2.975	50	40	CFGB	
Cc1cc(C(=O)NNC(=O)CC2CCCCC2)c(C)o1	26774107	YQNKKJHKMGYQLP-UHFFFAOYSA-N	278.352	2.628	50	40	CFGB	
N#C/C(=C\c1oc2cc(O)ccc2c1Cl)C(N)=S	26779599	JPWOYDCFTASNFA-ZZXKWVIFSA-N	278.720	2.985	50	40	CFGB	
C[S@@](=O)(=NC(=O)CCl)c1ccc(Cl)cc1	161179	JKWOSHPEGQQQCV-HNNXBMFYSA-N	266.149	2.562	50	40	CFGB	
O=P(Cc1nnco1)(c1ccccc1)c1ccccc1	509434	CMTUWBIOWGJVTR-UHFFFAOYSA-N	284.255	2.584	50	40	CFGB	
Cc1c(C(=O)NN(C)c2ccccc2)[nH]c2c1C(=O)CCC2	40009668	RDUUSGNQROQIPE-UHFFFAOYSA-N	297.358	2.623	50	40	CFGB	
C/C(=N/NC(=O)c1ccncc1)c1ccc(Cl)cc1	41249	FJXUUGVIVZHNES-YVLHZVERSA-N	273.723	2.889	50	40	CFGB	
N#C/C(=C\c1cc(F)ccc1F)C(=O)NC1CCCC1	40549527	FGZRVNGDQKXXDY-YRNVUSSQSA-N	276.286	2.931	50	40	CFGB	
COc1cccc(CN(CCCl)CCCl)c1	100925772	XTUZOBLXVGEQEU-UHFFFAOYSA-N	262.180	2.975	50	40	CFGB	
CCc1ccc(/C=N/NC(=O)c2ccc(F)cc2)o1	8812276	PNNQLRHTWZWNED-CXUHLZMHSA-N	260.268	2.745	50	40	CFGB	
N#C/C(=C1/NC(=O)c2ccccc21)c1nc2ccccc2[nH]1	104204762	FZKJGUBCQXGHNE-QINSGFPZSA-N	286.294	2.698	50	40	CFGB	
Cc1ccc2oc(=O)c(C(=O)CBr)cc2c1	67172682	OLTSFPIUASUYRD-UHFFFAOYSA-N	281.105	2.679	50	40	CFGB	
C[C@@H](Oc1cccc(F)c1)C(=O)NNc1ccc(F)cc1	36392626	LAXUUADBRWQEQJ-SNVBAGLBSA-N	292.285	2.875	50	40	CFGB	
ClCc1cccc(-c2nn3cnnc3s2)c1	41127469	HRYSNRPQMQOZQW-UHFFFAOYSA-N	250.714	2.592	50	40	CFGB	
COc1ccc(CN2C[C@@]2(C)CBr)cc1	198393881	GWZBGTBZXJLPDO-PUODRLBUSA-N	270.170	2.664	50	40	CFGB	
CCOC(=O)/C(C#N)=C(\C)c1ccc(OC)cc1OC	256054434	WGDOZBVSYXNVJM-JLHYYAGUSA-N	275.304	2.564	50	40	CFGB	
Cc1ccccc1NCC(=O)N/N=C\C=C\c1ccco1	16362961	WRMYXJORSAAZIX-QLLFMCFOSA-N	283.331	2.815	50	40	CFGB	
N#C/C(=C\Nc1ccc(F)cc1)C(=O)NCc1ccccc1	101192747	MMRMIRIKNZGQNJ-WYMLVPIESA-N	295.317	2.961	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1	253918	NRVCEWCBJQQNPJ-LICLKQGHSA-N	272.279	2.598	50	40	CFGB	
CCCCC[C@@H](C)NC(=O)NNC(=O)c1ccc(F)cc1	32779730	XMPRGXLRQATCPK-LLVKDONJSA-N	295.358	2.739	50	40	CFGB	
Cc1cc(O)c(C(=O)CSC#N)cc1Br	6500611	XONYZBZXWIBMKP-UHFFFAOYSA-N	286.150	2.860	50	40	CFGB	
C=CCOc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1	8554625	ZSKVSQUPJDUZHK-LDADJPATSA-N	296.326	2.721	50	40	CFGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC	408782781	JJNDZLSWTLODNL-GDNBJRDFSA-N	284.359	2.855	50	40	CFGB	
Fc1ccc2c(c1)C[C@H](CI)O2	85538613	OCRUXSUOYMWUSZ-MRVPVSSYSA-N	278.064	2.564	50	40	CFGB	
C[C@@H](CSSC[C@H](C)[N+](C)(C)C)[N+](C)(C)C	5003720	WIQFHRDEBXPESV-RYUDHWBXSA-N	266.520	2.557	50	40	CFGB	
CC(C)(C)OC(=O)NNC(=O)c1ccccc1Cl	17083860	UXKGFKRDOCUYJZ-UHFFFAOYSA-N	270.716	2.510	50	40	CFGB	
Clc1cc2c(cc1OCCBr)OCO2	1665521	FXYLUZAVOHCTPA-UHFFFAOYSA-N	279.517	2.842	50	40	CFGB	
Cc1cc(C(=O)CCl)c(C)n1-c1nccs1	2641075	QSXXJGJJTCAQPF-UHFFFAOYSA-N	254.742	2.972	50	40	CFGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1ccco1	33295090	HFZNAGJOJKVXFQ-AUWJEWJLSA-N	293.666	2.605	50	40	CFGB	
ClCc1nnc(-c2ccc(Br)o2)o1	12504824	ZSPWEMNFNASPSF-UHFFFAOYSA-N	263.478	2.831	50	40	CFGB	
N#CSc1ccc(NCCO)cc1C(F)(F)F	2053480	BLAPYCAXJWISKS-UHFFFAOYSA-N	262.256	2.683	50	40	CFGB	
C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)CCCCl	37842510	RGGVYGFNKHSQTE-JTQLQIEISA-N	293.791	2.777	50	40	CFGB	
CN(Cc1ccc(Br)cc1)C(=O)CCl	4219100	FLQNFWHYEUVNLC-UHFFFAOYSA-N	276.561	2.646	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccccn1	4587873	BRPAABKVWTVIPX-LICLKQGHSA-N	273.723	2.889	50	40	CFGB	
O=S(=O)(O)CCC[C@H](Cl)C(Cl)(Cl)Cl	6561877	WOTNJEQOAXEHDP-BYPYZUCNSA-N	289.995	2.632	50	40	CFGB	
CCCCC(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	1702904	LROABCXZTALKMX-KVDBUQHUSA-N	275.308	2.900	50	40	CFGB	
BrCc1ccc(Cn2cccn2)cc1	584615689	GNQFFRYCCDZFJK-UHFFFAOYSA-N	251.127	2.826	50	40	CFGB	
COC(=O)c1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1	16991924	SWPFMOGPLAARRE-LCYFTJDESA-N	271.316	2.995	50	40	CFGB	
COc1cccc(OC)c1/C=N/NC(=O)c1ccc(C)cc1	6840586	FWBWOBGTGZIZST-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
CN(Cc1ccccc1)C1=NC[C@@H](CBr)S1	2795852	PFTHGRSEWWPQNY-LLVKDONJSA-N	299.237	2.985	50	40	CFGB	
CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCl	37388960	USWBMWVYCSFTCQ-UHFFFAOYSA-N	265.662	2.903	50	40	CFGB	
N#CC1=C2c3ccccc3CC3(CCCCC3)N2C(=O)C1=O	2192227	SICPEFQZXHFCAN-UHFFFAOYSA-N	292.338	2.592	50	40	CFGB	
CCOc1ccccc1/C=C(\C#N)C(=O)N1CCCC1	16437903	NWQCJEYSROMPKX-SDNWHVSQSA-N	270.332	2.615	50	40	CFGB	
O=C(NN=Cc1ccc(O)cc1)Nc1ccccc1	16489565	GNYZNFWQURKGGI-UHFFFAOYSA-N	255.277	2.548	50	40	CFGB	
CN(C)c1ccccc1C(=O)N/N=C/c1ccc(F)cc1	1644659	BLQRIJGIPZSDCT-WOJGMQOQSA-N	285.322	2.656	50	40	CFGB	
Cc1c(-c2ccc(/C=C(\C#N)C(N)=O)o2)cccc1[N+](=O)[O-]	360923	IVILKNUVALOUGQ-JXMROGBWSA-N	297.270	2.556	50	40	CFGB	
COCCOC(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	33781081	NHOCURKAYMFJMP-FLIBITNWSA-N	299.248	2.802	50	40	CFGB	
O=S(=O)(CCCBr)c1ccc(Cl)cc1	19788637	IEDHWJROELMDKX-UHFFFAOYSA-N	297.601	2.899	50	40	CFGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)o2)cc1	408796226	NLSNHBUCEVNKLQ-PKNBQFBNSA-N	298.298	2.842	50	40	CFGB	
O=C(CN1CCCCC1)NN=C1CCCCCCC1	408719267	AYUIRQKDGZMOAE-UHFFFAOYSA-N	265.401	2.689	50	40	CFGB	
COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1	33296495	NRVCEWCBJQQNPJ-YVLHZVERSA-N	272.279	2.598	50	40	CFGB	
O=C1N[C@@H](c2ccc(-c3ccccc3)cc2)C(=O)O1	1772714705	KNGRETQZRRDWHM-ZDUSSCGKSA-N	253.257	2.661	50	40	CFGB	
CCc1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc1	546501	LEBBURJXPGAJNL-KEBDBYFISA-N	292.342	2.889	50	40	CFGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCCC1	1104959	NANUFRWYEIOGMH-SDNWHVSQSA-N	299.330	2.904	50	40	CFGB	
CC(C)(C)OC(=O)N1CC(CCBr)C1	80053728	IMCAWEYWTGJUEH-UHFFFAOYSA-N	264.163	2.638	50	40	CFGB	in-vitro
CCOc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1Cl	408784911	WMFPBWAQQJQEDI-XFFZJAGNSA-N	278.739	2.734	50	40	CFGB	
Cc1ccc(CNCCI)cc1C	1621665	FUNFTGPQQPAQJJ-UHFFFAOYSA-N	289.160	2.828	50	40	CFGB	
C[C@H](CSSC[C@@H](C)[N+](C)(C)C)[N+](C)(C)C	5003719	WIQFHRDEBXPESV-VXGBXAGGSA-N	266.520	2.557	50	40	CFGB	
O=C(CCl)NCc1c(Cl)cccc1Cl	159386	XVSOEGURSBQWAE-UHFFFAOYSA-N	252.528	2.848	50	40	CFGB	
CCCS[C@@]1(CCC)OC(N)=C(C#N)C1=C(C#N)C#N	100252626	ZIWVMUYPJBARON-CQSZACIVSA-N	288.376	2.694	50	40	CFGB	
Cc1ccc(SCC(=O)N/N=C/c2ccccn2)cc1	382251	KJZVMRYUCYOOHN-LICLKQGHSA-N	285.372	2.632	50	40	CFGB	
CC(=O)Sc1nnc(-c2cccc(SC#N)c2)o1	501076	PUGJZFZZKCPIPL-UHFFFAOYSA-N	277.330	2.948	50	40	CFGB	
O=C(NCCc1cccs1)N/N=C1/CCc2ccccc21	104158668	DNAJHMMUUGZKMT-SDXDJHTJSA-N	299.399	2.940	50	40	CFGB	
CC(C)[C@H](Br)C(=O)N1CCc2ccccc2C1	19516531	HVJYVTAVVRRXSJ-ZDUSSCGKSA-N	296.208	2.991	50	40	CFGB	in-vitro
Cc1ccc(/C=N/NC(=O)CNc2cccc(C)c2)cc1	226328	BYHBAOUEFJRWBL-YBFXNURJSA-N	281.359	2.866	50	40	CFGB	
O=C(N/N=C1\C[C@H]2C=CC[C@@H]12)c1ccc(Cl)cc1O	17007674	ZPBWFUCYLLDCLG-VGARSXKQSA-N	276.723	2.727	50	40	CFGB	
Cc1ccc2[nH]c(C(=O)N/N=C/c3cccnc3)cc2c1	12354535	FGSPYMHDUKJGOT-VCHYOVAHSA-N	278.315	2.635	50	40	CFGB	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccncc1	5381630	PLCBDGQAMBYUOW-KHIIKVJLSA-N	279.343	2.726	50	40	CFGB	
O=C(N/N=C\c1cccc(O)c1)Nc1ccccc1	33319329	NRQONMKBFFTAFZ-GDNBJRDFSA-N	255.277	2.548	50	40	CFGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@]2(CO)CCCN12	1857776028	UEZMBVPCOJWAER-ZFWWWQNUSA-N	285.504	2.998	50	40	CFGB	
CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(C)[nH]n1	5800474	YWPPLLUTDYJRGI-CPIFZXGHSA-N	268.320	2.537	50	40	CFGB	
CC1(C)CC(=O)C/C(=N\NC(=O)CCc2ccccc2)C1	100006528	BINBQXGIMSAGGK-NBVRZTHBSA-N	286.375	2.871	50	40	CFGB	
CC(C)=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1C	243906	TVDPYMGJNUKNFP-JTQLQIEISA-N	268.744	2.928	50	40	CFGB	
Cc1ccc(OCC(=O)NN=C(C2CC2)C2CC2)cc1	358316	BVOYWPXKUPEHKX-UHFFFAOYSA-N	272.348	2.666	50	40	CFGB	
Nc1nc(CCl)nc(Nc2cccc(Cl)c2)n1	1431547	NSKYBUZYLMKCLD-UHFFFAOYSA-N	270.123	2.590	50	40	CFGB	
COc1cccc2cc(C(=O)N/N=C/c3cccnc3)oc12	408970848	LFGWJBRNFADPEQ-VCHYOVAHSA-N	295.298	2.600	50	40	CFGB	
COC(=O)N/N=C\c1cccc(OC(=O)c2ccccc2)c1	33459114	DGYJIJKDOHJFIO-BOPFTXTBSA-N	298.298	2.596	50	40	CFGB	
O=C(CBr)c1cncc(C(F)(F)F)c1	199751900	XVCHOHWTBFXBND-UHFFFAOYSA-N	268.032	2.678	50	40	CFGB	
O=C(N/N=C/c1cccc(Cl)c1)[C@@H](O)c1ccccc1	487236	PQORMAMJLTYCEY-FBJMNJBLSA-N	288.734	2.524	50	40	CFGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1	3150865	UNMPGGVLYGBPFC-XDHOZWIPSA-N	297.358	2.648	50	40	CFGB	
COC(=O)/C(C#N)=C(C)\C=C/c1ccc(OC)cc1	17109754	FSSNVGAAFDTPRH-UETZTNTPSA-N	257.289	2.721	50	40	CFGB	
Cc1noc(-c2ccccc2NC(=O)C(Cl)Cl)n1	60017030	HHSCXHDVYUOYGP-UHFFFAOYSA-N	286.118	2.787	50	40	CFGB	
COc1cc(/C=C(/C#N)C(N)=S)ccc1OC(C)C	6884125	VGPZBAIGCGBHHN-WDZFZDKYSA-N	276.361	2.675	50	40	CFGB	
CN1CCN(C2=CC3=CC(=C(C#N)C#N)CC[C@H]3CC2)CC1	22036145	MHCVZRUTNUXSRL-AWEZNQCLSA-N	294.402	2.592	50	40	CFGB	
COCCCNC(=O)N/N=C1/C[C@H](C)CC[C@H]1C(C)C	103818519	LMMXAUBSWAGYAR-VDXSDERCSA-N	283.416	2.770	50	40	CFGB	
CN(Cc1c(F)cccc1Cl)C(=O)CCl	3407860	DOEZIAVDDBCIOS-UHFFFAOYSA-N	250.100	2.676	50	40	CFGB	
C[C@@H](/C=N/NC(=O)c1ccccc1O)c1ccccc1	4827603	KZHASIFTQVZBGT-OOIIIRTPSA-N	268.316	2.912	50	40	CFGB	
O=C(N/N=C\c1cccc(C(F)(F)F)c1)c1ccncc1	31816168	XXQCOXKLDJZVII-OCKHKDLRSA-N	293.248	2.864	50	40	CFGB	
C/C(=N/NC(N)=O)[C@](C)(OCC(C)C)c1ccccc1	5700002	VPNNIROKWMPBJI-ZKMNFCBKSA-N	277.368	2.619	50	40	CFGB	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1	5714739	CJFUMMPHZMJSED-HLVNSREUSA-N	272.348	2.907	50	40	CFGB	
CCN1c2ccc(/C=N/NC(N)=O)cc2[C@H](C)CC1(C)C	208304009	OGDRSNIAEYFMGE-VDCVXVNISA-N	288.395	2.801	50	40	CFGB	
N#C/C(=C/c1cccnc1)C(=O)Nc1ccccc1F	59117194	FFVQDCBEIUPREG-WQLSENKSSA-N	267.263	2.766	50	40	CFGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1	6263061	IICFKMAYBWYHCX-WOJGMQOQSA-N	283.331	2.633	50	40	CFGB	
COC(=O)/C(C#N)=C/c1cnn(-c2ccc(Cl)cc2)c1	40139515	SDGFMOQLNBJFII-IZZDOVSWSA-N	287.706	2.606	50	40	CFGB	
NNC(=O)c1cccc2c1Oc1ccccc1S2	1561928	XHWZCJKPJAVTSA-UHFFFAOYSA-N	258.302	2.547	50	40	CFGB	
CCn1c(C)cc(/C=N\NC(=O)c2cccc(O)c2)c1C	409066314	LBXRNSFMXJFPLM-YVLHZVERSA-N	285.347	2.594	50	40	CFGB	
O=C(Cc1cccs1)N/N=C/c1ccc(F)s1	252497032	PXRJESCFTFUWLV-NTUHNPAUSA-N	268.338	2.642	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2O)cc1	3194283	IUBMLXWTTPCCLB-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
CCc1ccc(/C(C)=N/NC(=O)[C@H](O)c2ccccc2)cc1	5125631	BFASFIJJBHCYBZ-HNMKQIAWSA-N	296.370	2.823	50	40	CFGB	
O=[N+]([O-])c1cccc(/C=C/C2(CCl)OCCO2)c1	1750168	MZNYNOLANBWODO-SNAWJCMRSA-N	269.684	2.590	50	40	CFGB	
CCCCCCCCNC(=O)CBr	1672998	IMTWQORKJWJYHT-UHFFFAOYSA-N	250.180	2.858	50	40	CFGB	
COC[C@@H](OC)c1ccc(C(=O)CBr)cc1	72220049	OLJMTRVYJAVGFX-GFCCVEGCSA-N	287.153	2.598	50	40	CFGB	
CC(=O)N[C@@H](C)c1ccc(C(=O)[C@@H](C)Cl)cc1	72220042	QQLIHFNLLQANJB-BDAKNGLRSA-N	253.729	2.694	50	40	CFGB	
CC(C)(C)OC(=O)NCc1ccccc1NC(=O)CCl	16322946	XSSKDTBEADNENE-UHFFFAOYSA-N	298.770	2.889	50	40	CFGB	
C/C=C/C=N/NC(=O)COc1ccc(Cl)cc1C	2101091	DBUOQKYNZMPLIU-VHJFPCPVSA-N	266.728	2.705	50	40	CFGB	
CC1=C/C(=N\NC(=O)c2ccccn2)CC(C)(C)C1	13773834	RAWPLHUZWPBXPK-SFQUDFHCSA-N	257.337	2.934	50	40	CFGB	
N#CC1=C(N)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl	4786276	MAPBBZIHVQFOAE-CQSZACIVSA-N	299.761	2.728	50	40	CFGB	
O=C(N/N=C1\CCSC1)c1cc2ccccc2cc1O	1507809	BSCHMJARSAYHPB-FOWTUZBSSA-N	286.356	2.768	50	40	CFGB	
C/C(=N/NC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1	12574646	PMFZWUMLOIYDFO-ATVHPVEESA-N	297.314	2.678	50	40	CFGB	
COc1cccc(/C=C(/C#N)C(=O)NC2CCCC2)c1	13371774	CJUCHPUXACACQN-LCYFTJDESA-N	270.332	2.661	50	40	CFGB	
N#C/C(=C/c1cccs1)C(=O)Nc1cccc(C(=O)O)c1	408544385	VVAIBSNWAFISQB-FLIBITNWSA-N	298.323	2.992	50	40	CFGB	
C/C(=N\NC(N)=O)c1ccc2c(c1)Cc1ccccc1-2	4579220	RPXQPPGBHZOHQP-VCHYOVAHSA-N	265.316	2.650	50	40	CFGB	
O=C(N/N=C/c1cccnc1)NC12CC3CC(CC(C3)C1)C2	4646658	GFEDPAQQVVYRDD-YBFXNURJSA-N	298.390	2.684	50	40	CFGB	
C[C@@]1(C(Br)Br)C=CC=CC1=O	98045008	JGKSOYGPJNPDMO-MRVPVSSYSA-N	279.959	2.804	50	40	CFGB	
ClC[C@@H]1CN2Cc3ccccc3-n3cccc3[C@H]2O1	260746657	DJDGMYSQBZOTRH-IUODEOHRSA-N	274.751	2.929	50	40	CFGB	
CCO[Si](CCCBr)(OCC)OCC	195772442	JMFBXUMHVSZUKY-UHFFFAOYSA-N	285.254	2.820	50	40	CFGB	
N#C/C(=C/Nc1ccc(Cl)cc1)C(=O)CCl	100404748	WBHJLTOWLXHLFF-FPLPWBNLSA-N	255.104	2.967	50	40	CFGB	
CC(=O)CCc1ccc(OC(=O)C(Cl)Cl)cc1	1676974	MIOSPVSIKXOXCM-UHFFFAOYSA-N	275.131	2.917	50	40	CFGB	
COc1ccc(/C=C/NNC(=O)c2cccc(C)c2)cc1	59488917	FKZMXWKTAATVCX-ZHACJKMWSA-N	282.343	2.909	50	40	CFGB	
C=CCn1c(C)c(/C=N/NC(C)=O)c2ccccc21	409009247	CKCZNGCFAQMMCN-MHWRWJLKSA-N	255.321	2.606	50	40	CFGB	
CC(/C=N\NC(=O)Cc1cccn1C)=C\c1ccccc1	31841448	XHPTXSLPPJQCFM-XXIFDQKASA-N	281.359	2.773	50	40	CFGB	
CC1(C)CC(=O)[C@@H]2C(C(C)(C)CCl)=NN[C@H]2C1	228935046	ILYXLRMLDQIGMY-WCBMZHEXSA-N	256.777	2.585	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC)c(OC)c1	3119243	PZDWGXYNVZVBMT-XYOKQWHBSA-N	275.304	2.564	50	40	CFGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1	2561653	UNFIZODTIUWKKQ-XYOKQWHBSA-N	257.289	2.907	50	40	CFGB	
CC[C@H](/C=N/NC(=O)c1ccccn1)c1ccccc1	5468408	OZGALYBSZABYMJ-RNEAKCBISA-N	267.332	2.991	50	40	CFGB	
CC(C)(C)C(=O)/C(C#N)=C1\Nc2ccc([N+](=O)[O-])cc2N1	100937123	IKPYWESLCCQASP-UKTHLTGXSA-N	286.291	2.783	50	40	CFGB	
NNC(=O)c1ccc(Cl)cc1Nc1ccccc1	1555714	JSHWUJPWRNXCMT-UHFFFAOYSA-N	261.712	2.687	50	40	CFGB	
Cc1cc(C(=O)CCl)c(C)n1NC(=O)c1ccccc1	3355862	SYNHSUWLQIZMAY-UHFFFAOYSA-N	290.750	2.910	50	40	CFGB	
C/C(=N/NC(=O)c1cc(C(C)C)n[nH]1)c1ccccc1	4678055	NLFZDJHJEDTVJV-WJDWOHSUSA-N	270.336	2.687	50	40	CFGB	
O=C(CBr)Nc1ccc(Cl)c([N+](=O)[O-])c1	5816280	HOXBBQUWJNSGPH-UHFFFAOYSA-N	293.504	2.582	50	40	CFGB	
CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)Cl)c1	37389551	QTGRSOUNUZEXMQ-JTQLQIEISA-N	282.771	2.734	50	40	CFGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1	30822000	MHTVCXOWPHCOLA-WQRHYEAKSA-N	286.306	2.988	50	40	CFGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccnc2)cc1	213359597	VXHSDYSXJVVFDL-ZROIWOOFSA-N	263.300	2.936	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/[C@H]2CC=CCC2)cc1[N+](=O)[O-]	4646810	PMGFUVOQGYOGDN-SEJMYLSOSA-N	287.319	2.975	50	40	CFGB	
COC(=O)N/N=C\c1c(Cl)[nH]c2ccccc12	4513589	KHFBPGFCCACYJA-MLPAPPSSSA-N	251.673	2.511	50	40	CFGB	
COc1ccc(NC(=O)CSCCCl)cc1	1689402	QRWSKGYCOXUTRV-UHFFFAOYSA-N	259.758	2.606	50	40	CFGB	
C[C@@]12C(=O)OC(=O)[C@H]1CCc1c2ccc2ccccc12	100494195	KTDZHEOUAJICME-PBHICJAKSA-N	266.296	2.743	50	40	CFGB	
[C-]#[N+][C@@H](c1cccnc1)S(=O)(=O)c1ccc(C)cc1	100057340	HFIQOYGYJOMSCI-CQSZACIVSA-N	272.329	2.782	50	40	CFGB	
CCCCC[C@H](O)CCC(=O)N/N=C/c1ccc(O)cc1	2288113	MLNQBHXSJZZWGJ-IQGJIOQQSA-N	292.379	2.564	50	40	CFGB	
CC(C)(C)OC(=O)NNC(=O)c1ccc(Cl)cc1F	14327465	LQWMTMKYAYCGSW-UHFFFAOYSA-N	288.706	2.649	50	40	CFGB	
O=CC1=C(Cl)CCN(C(=O)OCc2ccccc2)C1	96510415	VCMLBGLYBXDVGI-UHFFFAOYSA-N	279.723	2.721	50	40	CFGB	
CO[Si](C[C@@H](CCl)c1ccccc1)(OC)OC	200019254	HJIZDSWQHMHTQC-GFCCVEGCSA-N	274.820	2.887	50	40	CFGB	
CC1(C)SC(N)=C(C#N)[C@@H]2c3ccccc3OC[C@@H]21	542672	ATNHWYMDPHHPMO-AAEUAGOBSA-N	272.373	2.998	50	40	CFGB	
CCOc1ccccc1/C=N/NC(=O)Cc1ccccc1	524511	XHRPOLYSXSMSPA-QGOAFFKASA-N	282.343	2.778	50	40	CFGB	
O=C(NNC(=S)Nc1ccccc1)NC1CCCCC1	12403364	FXWZRFHTDAYEMY-UHFFFAOYSA-N	292.408	2.520	50	40	CFGB	
N#CCC(=O)N/N=C/c1ccc(Oc2ccccc2)cc1	20243981	LUNZCMOAJOERSG-LDADJPATSA-N	279.299	2.843	50	40	CFGB	
C[C@@H](NC(=O)CCl)c1ccc2c(c1)CCCC2	4206419	SAVUWIQTERSJFT-SNVBAGLBSA-N	251.757	2.981	50	40	CFGB	
O=C(CBr)c1ccc(OCCF)cc1	72226354	CXMCZBAYHCOSJX-UHFFFAOYSA-N	261.090	2.613	50	40	CFGB	
O[C@@H](CBr)COc1ccc2ccccc2c1	96511362	TXJXFSTXXGUCPK-LBPRGKRZSA-N	281.149	2.974	50	40	CFGB	
O=C(Cl)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1	202226356	HXZPWKICRNMTMP-UHFFFAOYSA-N	253.563	2.993	50	40	CFGB	
O=C(CCc1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	59836	RWZYIVFJHMLCBX-SFQUDFHCSA-N	297.314	2.678	50	40	CFGB	
C/C=C(/I)CBr	1626308	BWGFXGKYRIWCCL-DUXPYHPUSA-N	260.900	2.720	50	40	CFGB	
COC(=O)NNc1ccnc2cc(Cl)ccc12	480167	UIJCMFMHIAHLDB-UHFFFAOYSA-N	251.673	2.571	50	40	CFGB	
CCN(CC)c1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1	57367069	YEKVDQCXXFNMEV-NSHDSACASA-N	294.782	2.651	50	40	CFGB	
CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)NC	408602453	OAZSMOQWHJVHNN-VSXLWIIGSA-N	258.321	2.517	50	40	CFGB	
Cc1c(/C=N\NC(=O)c2ccncc2)c2ccccc2n1C	33314086	DYNVGMUHDYGMRP-ODLFYWEKSA-N	292.342	2.646	50	40	CFGB	
C/C(=N/NC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1	4199569	JRCZUGCKLPIEGD-ZROIWOOFSA-N	279.296	2.844	50	40	CFGB	
CC1(C)CC(=O)C/C(=N/NC(=O)C2CCCCC2)C1	101423957	QJQAAGHHLXZUIM-VBKFSLOCSA-N	264.369	2.818	50	40	CFGB	
COC(=O)[C@H](Cl)c1cccc(Br)c1	50977916	LBSWUNFDIOLNBV-MRVPVSSYSA-N	263.518	2.902	50	40	CFGB	
C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)C(C)(C)C	4543515	RXSLRXJDUVCDFT-XNTDXEJSSA-N	293.323	2.512	50	40	CFGB	
CC1=CC(C)(C)N([C@@H](C(=O)NN)C(C)C)c2ccccc21	223213153	YWMZJUXHXCUZRL-OAHLLOKOSA-N	287.407	2.703	50	40	CFGB	
BrCC[C@@H](Br)[C@@H]1CCCO1	242750766	ZZSZZAOXIMKHDM-RQJHMYQMSA-N	271.980	2.714	50	40	CFGB	
CCOC(=O)N/N=C/c1ccc(F)c(Br)c1	5717093	LOSADYNWHAUWDW-AWNIVKPZSA-N	289.104	2.668	50	40	CFGB	
O=[P@@](O)(c1ccccc1)c1cccc(Cl)c1	1583644	KFYUDODGSTXHRH-UHFFFAOYSA-N	252.637	2.561	50	40	CFGB	
Cc1sc(NC(=O)[C@H](C)Br)c(C#N)c1C	12016193	VZMXUQCNOHGXKK-LURJTMIESA-N	287.182	2.959	50	40	CFGB	
CCOC(=O)/C(C#N)=C(/S)Nc1ccc(C)cc1	100947144	ZQBXYXGDRIPUPD-VAWYXSNFSA-N	262.334	2.635	50	40	CFGB	
NNC(=O)c1ccc(-c2nc3ccc(F)cc3s2)cc1	45923193	GLTYNIHSWXLYQE-UHFFFAOYSA-N	287.319	2.706	50	40	CFGB	
CC(C)(C)OC(=O)c1nccc(CBr)c1N	83428577	OWXRQKWYLLVFEH-UHFFFAOYSA-N	287.157	2.514	50	40	CFGB	
C[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C	195815179	ILBWBNOBGCYGSU-UHFFFAOYSA-N	280.621	2.942	50	40	CFGB	
CCOC(=O)N/N=C/c1c(OC)ccc2ccccc12	3155950	SMZMKJAVUHFLIV-MHWRWJLKSA-N	272.304	2.928	50	40	CFGB	
C=CCSC1=C(C#N)[C@@H](c2ccc(O)cc2)CC(=O)N1	2299007	RTTKBENARPAUOI-GFCCVEGCSA-N	286.356	2.650	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(O)cc1O	5543499	DHDVBKNKWITRAS-GZTJUZNOSA-N	284.315	2.560	50	40	CFGB	
CC(C)OC(=O)OC[C@H](Br)C(F)(F)F	1083809173	SOVVUZQVRHTWCS-YFKPBYRVSA-N	279.052	2.874	50	40	CFGB	
Cc1ccc(O)c(/C=N/NC(=O)CCc2ccccc2)c1	561430	QBNVBEZVCZXTMS-LDADJPATSA-N	282.343	2.784	50	40	CFGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1	16438039	RKCDWUKTUBXGGB-NTCAYCPXSA-N	282.343	2.781	50	40	CFGB	
CCC/C=N/NC(=O)c1ccc(NC(=O)CC)cc1	4409998	JYTBFXMQNUFDDP-XNTDXEJSSA-N	261.325	2.551	50	40	CFGB	
CC(C)(C)OC(=O)N/N=C/c1cc2c(cc1Cl)OCO2	179754	OBLGAHFBVFEPOH-GIDUJCDVSA-N	298.726	2.927	50	40	CFGB	
CC(C)C1=C2OC(N)=C(C#N)C(C#N)=C2[C@H](C)CC1	128251	DUIHAWBNAVFAEK-SECBINFHSA-N	255.321	2.871	50	40	CFGB	
O=C(Nc1cccnc1)[C@@H](Cl)C(=O)c1ccccc1	1466073	MPVKZBIYTCUWTJ-LBPRGKRZSA-N	274.707	2.510	50	40	CFGB	
O=[N+]([O-])c1ccc(N/N=C\CCCCl)c([N+](=O)[O-])c1	8652226	ZKJPLNDWIOURJS-SDQBBNPISA-N	286.675	2.920	50	40	CFGB	
O=C(Cn1cnc2ccccc21)NN=C1CCCCCC1	6651288	MRGQGCJXTJYAGT-UHFFFAOYSA-N	284.363	2.863	50	40	CFGB	
COc1ccccc1/C=C(/C#N)C(=O)Nn1c(C)ccc1C	409383236	VDKXQYATPICLLU-GDNBJRDFSA-N	295.342	2.791	50	40	CFGB	
Cc1ccc(-c2noc(/C(C#N)=C/c3cnn(C)c3)n2)cc1	9256539	HZNOFXZNEGPQRQ-VGOFMYFVSA-N	291.314	2.843	50	40	CFGB	
CN(Cc1ccccc1)CC1CCN(C(=O)CCl)CC1	79414853	IKFNTGOOFSTMKN-UHFFFAOYSA-N	294.826	2.596	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)CNc1ccc(C)cc1	438307	PIYKIYHBZACJTD-YBFXNURJSA-N	297.358	2.566	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC)c(OCC)c1	1682471	PHTJWFOOOINUNC-LCYFTJDESA-N	289.331	2.954	50	40	CFGB	
Cc1c(C=C(C#N)C#N)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	2810051	BVZCLKNADMEPEH-UHFFFAOYSA-N	286.247	2.859	50	40	CFGB	
CC[C@@H](Br)C(=O)Nc1nc(C)c(C)s1	4939790	HEUULZRLHIGHPD-SSDOTTSWSA-N	277.187	2.872	50	40	CFGB	
O[C@]1(c2ccccc2)[C@H](CCCl)SC2=NCCCN21	2168137	USVXQTPYCPCLDN-GXTWGEPZSA-N	296.823	2.638	50	40	CFGB	
CC1(C)CC(=O)C/C(=N\NC(=O)c2ccccc2)C1	100004387	NMVYISXDHPKQDG-FOWTUZBSSA-N	258.321	2.552	50	40	CFGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)O	2275264	SCPSXVSHKYKNAJ-JXMROGBWSA-N	284.227	2.846	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1CC(C)C	3335289	XQBFAKVXFOKOAQ-VXLYETTFSA-N	298.390	2.920	50	40	CFGB	
O=S(=O)(O)CCC[C@@H](Cl)C(Cl)(Cl)Cl	6561878	WOTNJEQOAXEHDP-SCSAIBSYSA-N	289.995	2.632	50	40	CFGB	
CC(C)=NNC(=O)CSCc1ccc(C)cc1	408781938	DHOCWMXYQFJZAL-UHFFFAOYSA-N	250.367	2.740	50	40	CFGB	
O=C1O[C@@H](CCl)CN1Cc1ccc(Cl)cc1	71405116	ADBRUQUEPBNRFU-JTQLQIEISA-N	260.120	2.900	50	40	CFGB	
COc1ccc(Cn2cncc2CCl)cc1F	409421969	AQBSIFVRVHNRRO-UHFFFAOYSA-N	254.692	2.818	50	40	CFGB	
O=S(=O)(O)SCCNCCCCC1CCCCC1	31343621	ZXQNHZRSLAQFIO-UHFFFAOYSA-N	295.470	2.863	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2ccc(C)cc2C(C)=CC1(C)C	223201460	KXROQKNUGMSOPS-AWEZNQCLSA-N	287.407	2.765	50	40	CFGB	
COc1cccc(C(=O)N/N=C2\C[C@@H]3CC[C@H]2C3)c1	369479	DDFXZNFQISCFDQ-CUTVRFLISA-N	258.321	2.601	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)Cc2noc3ccccc23)cc1	100325034	DSZDYTCWXVSOHX-WQRHYEAKSA-N	293.326	2.829	50	40	CFGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCO1	122420	MOHHTCDPZACBRY-BCNIOPEESA-N	290.750	2.542	50	40	CFGB	
CP1C[C@@H](Br)[C@H](Br)C1	1701244	OZJBEFRJSJPDFT-RFZPGFLSSA-N	259.909	2.639	50	40	CFGB	
O=C(N/N=C/c1ccncc1)NC12CC3CC(CC(C3)C1)C2	3909335	HKOKBNLEHUVQNP-YBFXNURJSA-N	298.390	2.684	50	40	CFGB	
CC[C@H](C)Oc1ccc(/C=N/NC(C)=O)cc1Cl	409010314	BZWQJMWZWGFJIS-HVIDBACLSA-N	268.744	2.987	50	40	CFGB	
Cc1cc(C(=O)N/N=C/c2cccnc2)c2ccccc2n1	254192	SPJONEIWOBUVMG-YBFXNURJSA-N	290.326	2.702	50	40	CFGB	
COc1ccccc1OCC(=O)N/N=C/c1cccc(C)c1	510865	RDXHUAUQQIXAGZ-WOJGMQOQSA-N	298.342	2.533	50	40	CFGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccn1	67190133	LALRUDGZCSTGFY-JLHYYAGUSA-N	279.299	2.636	50	40	CFGB	
COc1ccc(C2=CCN(C(=O)CCl)CC2)cc1	58033207	OFVSNSNFPLKECP-UHFFFAOYSA-N	265.740	2.550	50	40	CFGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccnc1	4106548	RDPUSXWRQFVTJH-BZOBAROVSA-N	269.348	2.683	50	40	CFGB	
CCCOc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1	217706310	PLKKSHGMDCLJNA-JTQLQIEISA-N	281.739	2.594	50	40	CFGB	
CCN(C(=O)CCl)C1CCN(Cc2ccccc2)CC1	79393712	WBDOINKKXHSSFW-UHFFFAOYSA-N	294.826	2.738	50	40	CFGB	
N#C/C(=C/c1ccccc1O)C(=O)NCCc1ccccc1	223168022	HYBXPCJULBSXAW-VBKFSLOCSA-N	292.338	2.658	50	40	CFGB	
CN(C)/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	12340115	ACZKAQKOMNTKPR-NTMALXAHSA-N	268.238	2.857	50	40	CFGB	
Cc1cc(C(=O)N/N=C2/CCCC(=O)C2)c2ccccc2n1	101640886	DEGBJABCHHOFLJ-UNOMPAQXSA-N	295.342	2.772	50	40	CFGB	
CC(C)CC(=O)NNC(=O)c1cc2ccccc2s1	10160771	UTDSBGIQDYEOGI-UHFFFAOYSA-N	276.361	2.708	50	40	CFGB	
CCOC(=O)/C(C#N)=C1\C=C(C)c2ccccc2N1	13686167	XFUXTEFMKVJZLZ-WYMLVPIESA-N	254.289	2.856	50	40	CFGB	
CCc1ccc([C@H]2CC(=O)NC(SC)=C2C#N)cc1	9110322	KMHXNBFCDWSOCO-GFCCVEGCSA-N	272.373	2.951	50	40	CFGB	
CC1=C(C#N)C(c2ccccc2O)C(C#N)=C(C)N1	19594360	DJRADRLIZYMDOV-UHFFFAOYSA-N	251.289	2.674	50	40	CFGB	
F[C@@H](C(F)(F)F)C(F)(F)CI	98210383	HQFUDICIYKCMJB-UWTATZPHSA-N	291.960	2.957	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	3062228	NPCBBKHOHYIYPU-GZTJUZNOSA-N	297.314	2.596	50	40	CFGB	
C[C@@H]1C(C)(C)[C@@]23C[C@]12C1(OCCO1)[C@@H]3Br	5941769	GAVFTOXAFOGPIF-HZQMYPQZSA-N	273.170	2.559	50	40	CFGB	
O=C1O[C@H](CBr)CN1c1ccc(F)cc1	52508167	XJKABTHXZUEAHA-SECBINFHSA-N	274.089	2.546	50	40	CFGB	
CN(C)C(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	408853072	LDTVVHVDSURIAS-NTCAYCPXSA-N	283.375	2.672	50	40	CFGB	
O=S(=O)(Nc1nccs1)c1ccc(N=C=S)cc1	6368791	HHKNHSAECJJNKK-UHFFFAOYSA-N	297.386	2.678	50	40	CFGB	
CSc1ccc(NC(=O)NNC(=O)C2CC2)cc1Cl	96013211	XFBVRXHBZNFVJX-UHFFFAOYSA-N	299.783	2.625	50	40	CFGB	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)NC1CC1	97990576	LCAMGXARZFNLSC-QINSGFPZSA-N	295.386	2.862	50	40	CFGB	
CC(=O)N[C@@H](C)c1ccc(C(=O)[C@H](C)Cl)cc1	72220044	QQLIHFNLLQANJB-IUCAKERBSA-N	253.729	2.694	50	40	CFGB	
C[C@@H]1[C@H](Br)C(O)=NC(=O)N1Cc1ccccc1	1683917	YCSSNQMQIYSIJL-SCZZXKLOSA-N	297.152	2.731	50	40	CFGB	
COc1cc(NC(=O)[C@H](C)Cl)ccc1N1CCCC1	34776812	XQDCYNGOWGDZHK-JTQLQIEISA-N	282.771	2.861	50	40	CFGB	
N#CC(C#N)=CNc1ccc(OC(F)(F)F)cc1	2561746	ROQVKWFXLZANHM-UHFFFAOYSA-N	253.183	2.928	50	40	CFGB	
O=C(CCl)Nc1ccccc1NC(=O)c1ccco1	874377	MFUZQPVFOGLAGJ-UHFFFAOYSA-N	278.695	2.709	50	40	CFGB	
N#C/C(=C/c1ccc([N+](=O)[O-])o1)c1ccc(C(=O)O)cc1	408545434	YQYQLVSRMDMRKB-XFFZJAGNSA-N	284.227	2.950	50	40	CFGB	
O=C(N/N=C/c1ccoc1)c1cc2cc([N+](=O)[O-])ccc2o1	408962896	VSRZZPAHSBGNLZ-VIZOYTHASA-N	299.242	2.698	50	40	CFGB	
O=C(N/N=C1\C[C@@H]2CC[C@H]1C2)c1ccc(Cl)cc1O	44790573	MHJVLXOMOKAQLK-NDDFNGPISA-N	278.739	2.951	50	40	CFGB	
CCCCC[C@H](C)NC(=O)NNC(=O)c1ccc(F)cc1	32779731	XMPRGXLRQATCPK-NSHDSACASA-N	295.358	2.739	50	40	CFGB	
O=[N+]([O-])c1cccc(OCCCBr)c1	4291229	PMAHGRZCIBFEOX-UHFFFAOYSA-N	260.087	2.759	50	40	CFGB	
CO[C@@]1(C)OO[C@](C)(O)C12[C@@H]1CC[C@@H]2c2ccccc21	101049730	SBLJMFQAJJHXCN-KBXIAJHMSA-N	276.332	2.681	50	40	CFGB	
O=C(N/N=C1/C(O)=Nc2ccc(F)cc21)c1cccs1	6558354	OIFQPEFCAQHUDJ-UHFFFAOYSA-N	289.291	2.623	50	40	CFGB	
CCCOc1ccc(C(=O)N/N=C/c2ccco2)cc1	20197395	RDHHQEKEKVZELD-LFIBNONCSA-N	272.304	2.832	50	40	CFGB	
O=c1oc2ccccc2cc1CCBr	4826790	KWYQUOMBGREDBP-UHFFFAOYSA-N	253.095	2.730	50	40	CFGB	
COC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)o1	252497705	QNPJNLHIPRPIJF-WQLSENKSSA-N	297.266	2.725	50	40	CFGB	
N#CC1=C(N)n2c(nc3ccccc32)[C@H](C#N)C12CCCC2	1430686	AAVIBKNALXGLQD-LBPRGKRZSA-N	289.342	2.868	50	40	CFGB	
O=C(NN(Cc1ccccc1)c1ccccc1)[C@@H]1CCOC1	60128382	MUTMXBHSGJHNIB-MRXNPFEDSA-N	296.370	2.761	50	40	CFGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1	57787476	LPUAGYYEZAWDLI-VCHYOVAHSA-N	283.718	2.976	50	40	CFGB	
N#CC1=C2CCCCCN2c2ccc(F)cc2S1(=O)=O	67172874	SVDZDZKAELPMFD-UHFFFAOYSA-N	292.335	2.729	50	40	CFGB	
CCCCC(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	31670241	DKJYOBUQHUBXIV-ZSOIEALJSA-N	283.715	2.889	50	40	CFGB	
CCCCc1ccc(C(=O)NN)n1Cc1ccc(F)cc1	226027095	HYPYBZNXQBXVRO-UHFFFAOYSA-N	289.354	2.622	50	40	CFGB	
Cc1ccc(/C(=C/C=C(C#N)C#N)N2CCN(C)CC2)cc1	19682225	MLHTXDXJMBFODQ-LSCVHKIXSA-N	292.386	2.557	50	40	CFGB	
O=C(NNC(=O)c1cccs1)c1ccc2ccccc2c1	320269	MMMFXIKGHYECPP-UHFFFAOYSA-N	296.351	2.976	50	40	CFGB	
O=C(NNc1nncc2ccccc12)Nc1ccccc1	6927554	DCQDRQWTHDLIAN-UHFFFAOYSA-N	279.303	2.778	50	40	CFGB	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1ccccc1	2738396	QAIZBCVMCIYXIH-UHFFFAOYSA-N	294.314	2.634	50	40	CFGB	
CCOC(=O)[C@H](CC)/C(C)=N/NC(=O)c1cccc(C)c1	4178047	XPNZNPZITSTAKW-RFRKOGIWSA-N	290.363	2.690	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(C)cc1)c1ccncc1	5540437	OUXQGZBWAYQSJC-SFQUDFHCSA-N	253.305	2.544	50	40	CFGB	
O=C(CCCC[C@@H]1CCSS1)NCCn1ccnc1	42720714	PAEUZUWTYIVMAH-GFCCVEGCSA-N	299.465	2.713	50	40	CFGB	biogenic
CC[C@H](C(=O)NN)N1c2cc(C)ccc2C(C)=CC1(C)C	223201382	BOIYWXDAHNQPRO-CQSZACIVSA-N	287.407	2.765	50	40	CFGB	
CC(C)/C=C(\C#N)C(=O)N1CCC2(CC1)COC(C)(C)C2	585289995	PKERNPFKMAHVTF-NTEUORMPSA-N	290.407	2.900	50	40	CFGB	
COc1ccc(C(=O)N/N=C/c2cccc(C)c2)cc1	498124	GCGSDLSUEPCUGK-GZTJUZNOSA-N	268.316	2.768	50	40	CFGB	
CSc1ccc(/C=N/NC(=O)CC(C)C)cc1	5726964	YEQXDFVZZUWXFE-NTEUORMPSA-N	250.367	2.905	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2)c1ccccc1[N+](=O)[O-]	5945820	PBTGERFGSPGQIL-JOIQNNHISA-N	285.303	2.523	50	40	CFGB	
ClC[C@@H]1CS[C@H](c2ccc3c(c2)OCO3)O1	1766743	JJKURWROWFPDRT-LDYMZIIASA-N	258.726	2.785	50	40	CFGB	
CC1=C(C#N)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1	102061925	AVWGRUSMIDILFE-INIZCTEOSA-N	280.327	2.884	50	40	CFGB	
O=C/C=C/c1ccc(Br)cc1[N+](=O)[O-]	4590865	FBWJLOVQMUCMDU-OWOJBTEDSA-N	256.055	2.569	50	40	CFGB	
CC(C)(C)CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	9336087	HVVIKULIDXVYTJ-UHFFFAOYSA-N	292.423	2.786	50	40	CFGB	
O=C(/C=C/c1ccc(Cl)cc1)N/N=C\c1ccccn1	409051747	BNABSXBBQDRLEQ-VELFRKFLSA-N	285.734	2.899	50	40	CFGB	
Cc1cccc2cc(C(=O)N/N=C\c3cccnc3)[nH]c12	30885216	YOLFFWRMIVMLKC-ZDLGFXPLSA-N	278.315	2.635	50	40	CFGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1[C@H]1C=CCCC1	546850	RMXGMFFYIQHSGJ-IINYFYTJSA-N	270.332	2.690	50	40	CFGB	
O=C(O)C12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2Br	108424431	WHNYCVXNHIOFPE-IAACVSQYSA-N	259.143	2.661	50	40	CFGB	
CC(C)[C@@H](NC(=O)CCl)c1ccc2c(c1)OCCO2	8390511	FGDQPBZQAFSOMK-CQSZACIVSA-N	283.755	2.510	50	40	CFGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccco2)cc1	83253257	YDQVYTFBCPTHIM-WJDWOHSUSA-N	270.288	2.608	50	40	CFGB	
FC(F)COc1ccc(CBr)cn1	1776010709	AEPZJBNKVLQGCR-UHFFFAOYSA-N	252.058	2.620	50	40	CFGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccccc2)c1	6312457	RYRAMRMIFPZCNS-XDHOZWIPSA-N	295.342	2.799	50	40	CFGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1ccc(C(=O)O)cc1	408754495	VMEVLQODKRTRSD-GXDHUFHOSA-N	293.278	2.897	50	40	CFGB	
COC(=O)/C=C\c1ccc(CBr)cc1	71624937	ZSRCGGBALFGALF-SREVYHEPSA-N	255.111	2.768	50	40	CFGB	
COc1ccccc1/C=N\NC(=O)Cc1ccc(F)cc1	206783676	JGTBBAPAYSXTPM-WQRHYEAKSA-N	286.306	2.527	50	40	CFGB	
CCOC(=O)c1cc(C)nc(SCCl)c1C#N	162945	IFOOINUMBJIICH-UHFFFAOYSA-N	270.741	2.727	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)OC(C)(C)C	275310	GUIIVFLBUNMKKJ-NTEUORMPSA-N	250.298	2.554	50	40	CFGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NNc1ccccc1)CC2=O	100748964	BOYHLQNNYGPZKO-IRXDYDNUSA-N	286.375	2.915	50	40	CFGB	
O=C1OC(=O)c2cc3c(cc21)C(=O)O/C3=C\c1ccccc1	22347355	DCYLKNSYXHGQKU-NSIKDUERSA-N	292.246	2.666	50	40	CFGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1	408721536	SGVMQMPLWDWVOP-FEBBGVTHSA-N	256.349	2.963	50	40	CFGB	
O=C1c2c(Br)cccc2O[C@@H]1Br	103571420	LJILZTZKQCLSRT-QMMMGPOBSA-N	291.926	2.745	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	7209724	TZABBQZVFNKCIN-XBXARRHUSA-N	255.104	2.646	50	40	CFGB	
CCOC(=O)c1sc(NC(=O)CCCCl)nc1C	2085436	SFEFMSVHYWJMJF-UHFFFAOYSA-N	290.772	2.586	50	40	CFGB	
CCCOc1ccc(/C=C(\C#N)C(N)=O)c(OCCC)c1	3247383	SXYAUALKGRDWPX-UKTHLTGXSA-N	288.347	2.656	50	40	CFGB	
Cc1cccc(NC(=O)NNc2nc(C)cc(C)n2)c1	12699078	AVKMQVMQELAYJO-UHFFFAOYSA-N	271.324	2.550	50	40	CFGB	
Cc1cccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)c1	12769912	RPGJOUPUOOCEEF-UHFFFAOYSA-N	293.326	2.551	50	40	CFGB	
CC[C@H](C)c1ccc(NC(=S)NNC(C)=O)cc1	6394317	XZWPGNCZBVRXOU-VIFPVBQESA-N	265.382	2.538	50	40	CFGB	
CCCOc1ccc(NC(=O)CBr)cc1	35605023	IWCZYZOSHVIPDP-UHFFFAOYSA-N	272.142	2.809	50	40	CFGB	
C[C@@H]([C@H](O)c1ccccc1)N(C)CCCN=C=S	5919568	NIIILSARNLPUMP-JSGCOSHPSA-N	264.394	2.533	50	40	CFGB	
COc1ccc(CC(=O)NC(C#N)=C(Cl)Cl)cc1	27987532	UTIVQZIEJCRFEF-UHFFFAOYSA-N	285.130	2.524	50	40	CFGB	
CC(=O)N(CCCCl)[C@@H](C#N)c1ccccc1	2318937	NTQZTJCETBKODX-ZDUSSCGKSA-N	250.729	2.729	50	40	CFGB	
N#C/C(=C\c1ccc(Br)cc1)C(=O)NC1CC1	28496201	RKVRZRIISQNVLI-JXMROGBWSA-N	291.148	2.635	50	40	CFGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1O	408803647	RPFBUXJDVWYXHL-KAQJVSAMSA-N	288.347	2.613	50	40	CFGB	
CC1(C)NC(=O)c2ccccc2[C@H]1Br	165757997	LIHSPZGTSJJORU-SECBINFHSA-N	254.127	2.645	50	40	CFGB	
IC[C@@H]1COc2ccccc21	14982673	XGYVNSZLKXZJCL-SSDOTTSWSA-N	260.074	2.598	50	40	CFGB	
C[C@H](CC=O)P(=O)(c1ccccc1)c1ccccc1	1706634	QDHOBIDEDVSVGH-CQSZACIVSA-N	272.284	2.978	50	40	CFGB	
O=C(NN=C(CCl)CCl)c1ccc(Cl)cc1	4480104	BNLUMKKFYCTGTB-UHFFFAOYSA-N	279.554	2.903	50	40	CFGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccn2)cc1	6569353	CIAWYACZWOOQQA-BENRWUELSA-N	279.299	2.636	50	40	CFGB	
CN(CCC(F)(F)F)C(=O)/C(C#N)=C\c1ccco1	69951836	MEDVCFAMNKBRMQ-CLFYSBASSA-N	272.226	2.597	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2)o1	4544357	DNAJFXBNOUDGCL-SEJMYLSOSA-N	272.304	2.506	50	40	CFGB	
C/C(=N\NC(=O)c1ccoc1C)c1ccccc1F	6902275	STYPEBGSJKPGKE-CXUHLZMHSA-N	260.268	2.881	50	40	CFGB	
CCOc1cc(-c2noc(CCCl)n2)ccc1OC	72220488	AOXZXIQFIMIDDU-UHFFFAOYSA-N	282.727	2.925	50	40	CFGB	
Cc1cc2c(cc1C)N([C@H](C)C(=O)NN)C(C)(C)C[C@@H]2C	260619414	LDJLZHKNEAPHOO-QWHCGFSZSA-N	289.423	2.774	50	40	CFGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(C)cc1	5682288	XVKFMADZRWUNOD-LDADJPATSA-N	296.326	2.878	50	40	CFGB	
NNC(=O)C1CCC(c2ccc(Cl)cc2)CC1	161917	DWFIARWELZHSCS-UHFFFAOYSA-N	252.745	2.604	50	40	CFGB	
CCCCCCOC(=O)CI	1583929	XJOFYNWBVZSJJZ-UHFFFAOYSA-N	270.110	2.545	50	40	CFGB	
C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(O)cc1	7009566	QGSGBZJANMUFFY-CPNJWEJPSA-N	297.358	2.653	50	40	CFGB	
CO[C@H](C(=O)N/N=C(\C)c1ccccc1)c1ccccc1	20248216	JDQYLVKFBDIDPV-HZGBGQKMSA-N	282.343	2.915	50	40	CFGB	
O=C(N/N=C1\C[C@@H]2CC[C@H]1C2)c1ccc(Br)o1	20479746	ROKUKPSEVFONKG-BMHUQWAXSA-N	297.152	2.948	50	40	CFGB	
CC(C)[C@@H](Br)C(=O)N1C[C@H](C)C[C@@H](C)C1	19507995	NSMZGWTYMABJNA-GMTAPVOTSA-N	276.218	2.910	50	40	CFGB	in-vitro
F/C(=C\C(F)(F)F)CI	64370198	AGIPBZMODQNVTF-IWQZZHSRSA-N	253.964	2.837	50	40	CFGB	
Fc1cc(F)cc(C2=NO[C@H](CBr)C2)c1	217844009	ICOHDUKUOMNMSF-VIFPVBQESA-N	276.080	2.853	50	40	CFGB	
COc1cc(/C=N/NC(C)=O)cc(Cl)c1OC(C)C	558929	CRMZGVBPGQUASK-VIZOYTHASA-N	284.743	2.606	50	40	CFGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccco1	5741287	XJEKQLXUGMPDLR-YBFXNURJSA-N	293.326	2.995	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)N/N=C/c2ccc(C)cc2)cc1	1681025	RSSRSRXIDJHWET-GDAWTGGTSA-N	294.358	2.971	50	40	CFGB	
Cn1cccc1/C=C(/C#N)C(=O)Nc1ccccc1	2735617	NKICVPPUFWQVCL-BENRWUELSA-N	251.289	2.571	50	40	CFGB	
Oc1ccc(COCCBr)c2cccnc12	1717641	BBHKFUWMMXHGDG-UHFFFAOYSA-N	282.137	2.852	50	40	CFGB	
COc1cc([C@H](O)CCBr)c(OC)cc1C	6484388	JSDZDYSEHXFROL-SNVBAGLBSA-N	289.169	2.831	50	40	CFGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccccc1F	495018	SDXFAEHJAIXZEL-VCHYOVAHSA-N	286.306	2.663	50	40	CFGB	
CO[C@@H](C(=O)N/N=C/c1cccs1)c1ccccc1	567192	ZUHCPHXHLYSHEU-QQFZQELXSA-N	274.345	2.586	50	40	CFGB	
O=C(Cc1ccccc1)NNc1c(F)c(F)cc(F)c1F	3570003	VALGQJPWRPRXOA-UHFFFAOYSA-N	298.239	2.929	50	40	CFGB	
C/C(Cc1c[nH]c2ccccc12)=N\NC(=O)c1ccncc1	5494693	RLNSLOOEPFJUGA-UDWIEESQSA-N	292.342	2.911	50	40	CFGB	
CCn1cccc1/C=N/NC(=O)CNc1ccc(C)c(C)c1	408932939	FUZHLLLRJGSIKU-YBFXNURJSA-N	298.390	2.687	50	40	CFGB	
CCN(CC)C(=O)/C(C#N)=C\c1ccc(N2CCCC2)o1	408853524	UXGVCNZKCVLWJD-QBFSEMIESA-N	287.363	2.655	50	40	CFGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(N)=O)c2C)c1C	409008280	VAEUBUDAJZFJEB-NVMNQCDNSA-N	284.363	2.713	50	40	CFGB	
O=C(N/N=C\c1cccc(Br)c1)c1ccco1	32576837	NIANEQCIOLRIRH-ZSOIEALJSA-N	293.120	2.806	50	40	CFGB	
F[C@H](C(F)(F)F)C(F)(F)CI	98210382	HQFUDICIYKCMJB-REOHCLBHSA-N	291.960	2.957	50	40	CFGB	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@H]1CBr	1083104371	OWEMGANBIHEQLQ-IWSPIJDZSA-N	276.174	2.637	50	40	CFGB	
CCCCCC[C@H](CCl)OCCOCCO	5418400	WBHLOPCRCWAHNP-GFCCVEGCSA-N	252.782	2.590	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1ccccc1Br	17197830	XJDUYGRZQWFBHZ-YFHOEESVSA-N	280.121	2.919	50	40	CFGB	
Cl[C@@H](c1ccccc1)[C@H](Cl)CN1CCOCC1	1675249	WSONXBVAEHILOL-OLZOCXBDSA-N	274.191	2.906	50	40	CFGB	
Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)Cl)cc1	6271428	JTOYYGRGOHCARW-UHFFFAOYSA-N	279.683	2.527	50	40	CFGB	
Cc1cccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1	498299	SJLXKMGJDCTZFB-MHWRWJLKSA-N	283.287	2.667	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	59447269	ZAMFAKDYBMTJBH-LICLKQGHSA-N	297.314	2.976	50	40	CFGB	
CCOC(=O)/C(C#N)=C1/N(C)c2ccccc2C1(C)C	3192986	WIAGEKGVPBVBJQ-SDNWHVSQSA-N	270.332	2.755	50	40	CFGB	
COc1ccc(C(=O)N/N=C/C2CCCCC2)cc1OC	6230802	HMZGGBRYCNCWEE-GZTJUZNOSA-N	290.363	3.000	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1C	408786149	FQWAQENVLJZCQX-RQZCQDPDSA-N	273.311	2.545	50	40	CFGB	
CCNC(=S)NC1=C(C#N)[C@H]2CCCC[C@@H]2S1	4293407	HEQZSRFBXFGMFH-SCZZXKLOSA-N	267.423	2.511	50	40	CFGB	biogenic
Cc1ccc(C)c(OCC(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)c1	136292203	QYTSNTXESMKIDG-GZJPWILPSA-N	284.359	2.750	50	40	CFGB	
N#CC(C#N)=Cc1ccc(Br)c([N+](=O)[O-])c1	5567767	QIBAXTBBPCPKOR-UHFFFAOYSA-N	278.065	2.788	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccc(Br)o2)o1	439487	MQDHEXZBFIBKBS-AWNIVKPZSA-N	297.108	2.707	50	40	CFGB	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccccc1Cl	103750716	LUUOECFOUKIAKO-BJMVGYQFSA-N	254.680	2.507	50	40	CFGB	
CN1/C(=C\C=N\NC(=O)C2CC2)C(C)(C)c2ccccc21	48265680	HQOITNGAZUDRGB-ODXRKRKHSA-N	283.375	2.810	50	40	CFGB	
ClCCCOB(OCCCCl)OCCCCl	195758474	HVMKUXICPDJZGB-UHFFFAOYSA-N	291.411	2.908	50	40	CFGB	
Cc1ccc(NNC(=O)NNc2ccc(C)cc2)cc1	34413472	SJDAOUCXXHDMHD-UHFFFAOYSA-N	270.336	2.957	50	40	CFGB	
CC(C)(O)C(=O)NN(c1ccccc1)c1ccccc1	1410621	FRGKVFQNIZKFEP-UHFFFAOYSA-N	270.332	2.627	50	40	CFGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C	59498161	OZVYTIRQLOJJEK-NTEUORMPSA-N	263.297	2.747	50	40	CFGB	
C[C@H]1CN1[P@](=O)(N1CCc2ccccc21)N1C[C@H]1C	301054392	COMLPZBARCXWSR-KESRIYGZSA-N	277.308	2.565	50	40	CFGB	
CCOC(=O)c1ccccc1CI	39351862	DBEIGPGXWYIQEH-UHFFFAOYSA-N	290.100	2.798	50	40	CFGB	
CC(C)NNC(=O)C(C)(C)Oc1ccc(Cl)cc1	35653710	NHXUCHVAIWDDGF-UHFFFAOYSA-N	270.760	2.527	50	40	CFGB	
CCCOc1cccc(/C=N\NC(=O)c2cccnc2)c1	30951357	VZKIDLVCAJWLDI-WQRHYEAKSA-N	283.331	2.634	50	40	CFGB	
N#C/C(=C/c1ccncc1)C(=O)NCc1ccc(Cl)cc1	97990504	IPEFHOZPHBDSLY-ZROIWOOFSA-N	297.745	2.958	50	40	CFGB	
O=C(NN=Cc1ccc(Cl)cc1)c1ccn2ccnc2c1	725240091	YFXAAOUGJHQLIF-UHFFFAOYSA-N	298.733	2.752	50	40	CFGB	
Cc1ccccc1NCC(=O)N/N=C/c1ccc(F)cc1	60000	VJIPCLAUDCFJSP-VXLYETTFSA-N	285.322	2.696	50	40	CFGB	
CC1(C)CC(=O)[C@H](C(=O)/C=C/c2ccco2)C(=O)[C@@H]1Cl	104832582	NNZWVGFLAYKQKT-GSKXSAQWSA-N	294.734	2.654	50	40	CFGB	
Cc1cccc(C(=O)N/N=C/C2CCCCC2)c1O	16990045	IZSZAMZGZGLUKN-MHWRWJLKSA-N	260.337	2.997	50	40	CFGB	
O=C(N/N=C1/CCCCc2ccccc21)c1ccccn1	13140083	CBLAPUAQTZPNPT-CYVLTUHYSA-N	279.343	2.942	50	40	CFGB	
CC(=O)N[C@@H](C)CCc1ccc(C(=O)CCl)cc1	4206056	WZEMQPVZBVNADC-JTQLQIEISA-N	267.756	2.565	50	40	CFGB	
N#C/C(=C\c1ccccc1Br)C(=O)NC1CC1	7164001	VYUAXTGLQIMMTR-JXMROGBWSA-N	291.148	2.635	50	40	CFGB	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccc(O)cc2)c1	245204305	QTCITHCEULFNGK-CYBMUJFWSA-N	298.342	2.618	50	40	CFGB	
COC(=O)[C@H]1[C@H]2CC[C@@]1(C)[C@]2(C)CBr	242437501	CDSWKWSLJZFMRL-YJFSRANCSA-N	261.159	2.607	50	40	CFGB	
C[C@@H]1[C@H]2C[C@H]([C@H](Br)C23OCCO3)C1(C)C	35188491	MBWIJPYDHZDSFW-KYXWUPHJSA-N	275.186	2.805	50	40	CFGB	
Cc1cc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(C)o1	30721935	PZKWFSZIEKIXOV-NVNXTCNLSA-N	287.275	2.569	50	40	CFGB	
CN(C)c1ccc(C(=O)N/N=C2\C[C@@H]3CC[C@@H]2C3)cc1	102403483	WSPOVTPLKHUSIO-URAGBOGZSA-N	271.364	2.658	50	40	CFGB	
COC(=O)/C(C#N)=C\c1cc(Br)c(C)s1	296694	MWPXZYKNOOTCME-CLTKARDFSA-N	286.150	2.899	50	40	CFGB	
C[C@H](Br)CCCN1C(=O)c2ccccc2C1=O	1678924	BSLLSMVCLJZMHT-VIFPVBQESA-N	296.164	2.846	50	40	CFGB	
CC(C)CC(=O)NNC(=O)C1(c2cccc(Cl)c2)CC1	30602841	IEQQOCOTFPAIQL-UHFFFAOYSA-N	294.782	2.565	50	40	CFGB	
CC(C)(C)NC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1	59435583	SOZUHEZXWWEQFK-UHFFFAOYSA-N	295.427	2.610	50	40	CFGB	
Cc1cc(Cl)ccc1-c1ccc(C(=O)NN)o1	57351188	LMVLFJNQLDBVJQ-UHFFFAOYSA-N	250.685	2.512	50	40	CFGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)NC1CCCCC1	3261604	APPRFHZVWZEWSF-JLHYYAGUSA-N	299.330	2.951	50	40	CFGB	
O=C1[C@@H](CCCl)Sc2nc3ccccc3n21	38700861	XUFPBOCBMCKSRT-SECBINFHSA-N	252.726	2.780	50	40	CFGB	
Cc1ccc(Cl)cc1-n1c(C)cc(C(=O)NN)c1C	223702031	MUQXJDFLZIQBAA-UHFFFAOYSA-N	277.755	2.659	50	40	CFGB	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1CBr	952958975	OWEMGANBIHEQLQ-CIUDSAMLSA-N	276.174	2.637	50	40	CFGB	
O=C(CCl)Nc1nc2c(F)cc(F)cc2s1	20131792	IIZHMQZTOLSSTK-UHFFFAOYSA-N	262.668	2.752	50	40	CFGB	
CCCC[C@H](CC)CNC(=O)CI	1591783	CBYKCNOMQHXXCD-VIFPVBQESA-N	297.180	2.754	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2/C[C@@H]3CC[C@@H]2C3)c1O	102334253	RNHVRARFPRPHMP-ARXFZMKXSA-N	258.321	2.606	50	40	CFGB	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC2	10214155	NOSISSNBYBBBKW-UHFFFAOYSA-N	297.314	2.840	50	40	CFGB	
O=C(NNc1ccc(Cl)nn1)Nc1ccc(Cl)cc1	16500377	OIPFJMMWXGUJNZ-UHFFFAOYSA-N	298.133	2.932	50	40	CFGB	
CC(C)[C@@H](Br)C(=O)NCc1ccccc1F	19435633	GTHBCOVKMPAFBJ-LLVKDONJSA-N	288.160	2.861	50	40	CFGB	in-vitro
Cc1c(C(=O)NN)c2ccccc2n1Cc1ccccc1F	216946395	HBQJQXDKIINZTA-UHFFFAOYSA-N	297.333	2.741	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1ccc(Cl)nc1Cl	17175357	KEBXIJKRDHCDGY-VOTSOKGWSA-N	286.118	2.771	50	40	CFGB	
COc1cccc(C(=O)N/N=C/c2sccc2C)c1	4490507	KOVVZKQWWLGPDO-OQLLNIDSSA-N	274.345	2.829	50	40	CFGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C=C(C#N)C#N	409001388	PNVREJPUFBPSJN-UHFFFAOYSA-N	270.292	2.872	50	40	CFGB	
CCOc1ccc(/C=C(\C#N)C(N)=S)c(OCC)c1	290549	BFQVPHLXKHGURQ-YRNVUSSQSA-N	276.361	2.677	50	40	CFGB	
Cc1cc2c(cc1/C=N/NC(N)=O)[C@H](C)CC(C)(C)N2C	208209495	HBDQKEYXFVPOLG-PBFYJAPKSA-N	288.395	2.719	50	40	CFGB	
Cc1ncc(CN(CCCl)CCCl)c(C)c1O	1700027	SHWFZYCIXNCSFG-UHFFFAOYSA-N	277.195	2.684	50	40	CFGB	
CCCCCCCC(=O)N/N=C1/C(=O)Nc2ccccc21	2676175	AQWKMDDZLGHKAG-UHFFFAOYSA-N	287.363	2.820	50	40	CFGB	
CN(Cc1ccccc1Br)C(=O)CCl	4206224	YUFDWBRCRGFBER-UHFFFAOYSA-N	276.561	2.646	50	40	CFGB	
COc1ccc(C(=O)NC(C#N)=C(Cl)Cl)cc1	5526883	GKKWBPRTVGVLKZ-UHFFFAOYSA-N	271.103	2.595	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1C)c1ccncc1	5620125	IWBLXTMAXUQSCQ-SFQUDFHCSA-N	253.305	2.544	50	40	CFGB	
O=C(Cc1cccs1)N/N=C1/CCc2ccccc21	96845494	QORMXCLPCLXZDF-PEZBUJJGSA-N	270.357	2.757	50	40	CFGB	
CCCC(=O)OC[C@H](Br)C(F)(F)F	1083809819	ODCCQRLEANUVKH-YFKPBYRVSA-N	263.053	2.656	50	40	CFGB	
O=C=Nc1ccc2c(c1)O[C@](F)(Cl)C(F)(F)O2	39320935	UEFNCUBHLWGVSV-QMMMGPOBSA-N	265.574	2.880	50	40	CFGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccccc1Cl	381281	LOECQIDYJHWNDH-CXUHLZMHSA-N	274.707	2.810	50	40	CFGB	
C[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	42037607	NTMUUBGTTLEOTM-NWDGAFQWSA-N	289.466	2.948	50	40	CFGB	
COc1ccc(C(=O)Cl)c(OC(F)(F)F)c1	36533755	XTRNPLXMVUIGGU-UHFFFAOYSA-N	254.591	2.973	50	40	CFGB	
O=C(CCl)Nc1ccc2c(c1)OC1(CCCC1)O2	4200365	UJSQKWVYPRKDCM-UHFFFAOYSA-N	267.712	2.905	50	40	CFGB	
O=C(CCl)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2	4205461	FDEJYVYKKSGDOH-GFCCVEGCSA-N	295.766	2.750	50	40	CFGB	
C[Si](C)(C)OCCCI	195828137	LSUWAANCLCUNEA-UHFFFAOYSA-N	258.175	2.663	50	40	CFGB	
C=CCOCc1cc([N+](=O)[O-])ccc1OCCCl	95635508	LQGMNQQLHCLEQT-UHFFFAOYSA-N	271.700	2.915	50	40	CFGB	
COc1ccc(/C=N/N(C=O)Cc2ccccc2)cc1	3155995	WLMIMSAJQPJSTR-GZTJUZNOSA-N	268.316	2.688	50	40	CFGB	
CC1(C)NC(=O)c2ccccc2[C@@H]1Br	165758110	LIHSPZGTSJJORU-VIFPVBQESA-N	254.127	2.645	50	40	CFGB	
CCCCOc1ccccc1C(=O)N/N=C/OCC	5420753	WQMADSBFAJAWKP-RVDMUPIBSA-N	264.325	2.575	50	40	CFGB	
COc1ccc(/C=C/C(=O)N/N=C/c2ccc(O)cc2)cc1	1098727	HBOHKIZXHZOIQY-INVULMLHSA-N	296.326	2.564	50	40	CFGB	
O=C(CCl)N1CCC(c2nc3ccccc3o2)CC1	3407194	DUKMRADGWGAUSV-UHFFFAOYSA-N	278.739	2.773	50	40	CFGB	
COC(=O)/C(C#N)=C(/C)c1ccc(Br)cc1	6780299	YZMGNPQKVVGSIS-FLIBITNWSA-N	280.121	2.919	50	40	CFGB	
O=C(NNC(=O)c1cc(Cl)ccc1Cl)c1ccco1	577781	QLNXNBUKKMYFNH-UHFFFAOYSA-N	299.113	2.661	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2ccc(C)s2)cn1	4724822	QYTZUOZZVLVUPR-NVNXTCNLSA-N	259.334	2.524	50	40	CFGB	
COc1ccc2c(c1)CCCN2C(=O)[C@H](C)Cl	37391904	XRKFZMNQBLGZRS-VIFPVBQESA-N	253.729	2.602	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1ncc(Cl)cc1Cl	6847847	IRHCCAVPXWGQGV-FNORWQNLSA-N	286.118	2.771	50	40	CFGB	
CC(=O)c1cccc(NC(=O)[C@H](C)Br)c1	19942618	VKDQUJASMCBVII-ZETCQYMHSA-N	270.126	2.611	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2cccs2)c(C)c1	3023344	FEQYMJQVWYLTRR-CXUHLZMHSA-N	288.372	2.894	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(Cl)cc1O	17022523	PEFGCLHCFSXZCW-BSHGWQGUSA-N	290.750	2.973	50	40	CFGB	
ClC[C@@H]1COc2ccc(Br)cc2O1	4769565	GBQHJXXWOSBGQF-SSDOTTSWSA-N	263.518	2.828	50	40	CFGB	
CC1(C)COC(=O)C(C#N)=C1/C=C1/OC(=O)c2ccccc21	5425018	PRHXQOIRMWTBFY-VGOFMYFVSA-N	295.294	2.601	50	40	CFGB	
O=C(NNc1nncc2ccccc12)NC1CCCCC1	6942891	IBBVGWQWAAVAEU-UHFFFAOYSA-N	285.351	2.589	50	40	CFGB	
O[C@@]1(c2ccccc2)[C@@H](CCCl)SC2=NCCCN21	2168135	USVXQTPYCPCLDN-OCCSQVGLSA-N	296.823	2.638	50	40	CFGB	
O=C(CCCCl)OC[C@@H]1CCCN2CCCC[C@H]12	4028118	TXFMNDVUFFVBMF-QWHCGFSZSA-N	273.804	2.813	50	40	CFGB	biogenic
Cc1cccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1	408966292	LEKXNNXFXPQEIX-VXLYETTFSA-N	281.290	2.770	50	40	CFGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1C	408785901	JLNWPXZANSJTJD-GDNBJRDFSA-N	285.391	2.998	50	40	CFGB	
O=C(CCl)Nc1cc(C(F)(F)F)cc(Cl)n1	91695187	GAIDQKXWNXQJBC-UHFFFAOYSA-N	273.041	2.931	50	40	CFGB	
CC[C@H]1CN1[P@](=O)(N(CC)CC)N1C[C@H]1CC	263632904	GLCAMPNBWWCDIH-JEMJHWDHSA-N	259.334	2.625	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])s2)cc1	13114968	LJGPYHAVJULZAE-ZSOIEALJSA-N	289.316	2.729	50	40	CFGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC#N)c2C)cc1	58927067	ISEJJAJKAOVVEE-YBFXNURJSA-N	294.358	2.766	50	40	CFGB	
CCCC[C@H](CC)C(=O)NNC(=O)c1ccccc1C	1750025	GYUFGKPPKWWRPH-ZDUSSCGKSA-N	276.380	2.972	50	40	CFGB	
N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(N)=S	105893312	BHHQQTQWEVMQFS-BHQIHCQQSA-N	273.144	2.892	50	40	CFGB	
COC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(Cl)cc1	5728234	UCZFTNFVGBSBJC-UXBLZVDNSA-N	287.706	2.810	50	40	CFGB	
Fc1cccc2c1O[C@H](CI)C2	218743318	GEIZLJUURXNQSH-ZETCQYMHSA-N	278.064	2.564	50	40	CFGB	
CC(=O)N[C@H](C)c1ccc(C(=O)[C@H](C)Cl)cc1	72220045	QQLIHFNLLQANJB-DTWKUNHWSA-N	253.729	2.694	50	40	CFGB	
Cc1c(Cl)cccc1N1C[C@@H](C(=O)Cl)CC1=O	45952508	NTIBZEYUHYBQCJ-QMMMGPOBSA-N	272.131	2.767	50	40	CFGB	
CC1(C)CN(Cc2ccccc2)C[C@@H](CCl)O1	158755986	DMLFMRGOSPSXGI-CYBMUJFWSA-N	253.773	2.905	50	40	CFGB	
BrCC(CBr)CBr	110749705	ZXSNXWBSEPRPEN-UHFFFAOYSA-N	294.812	2.787	50	40	CFGB	
CCN(Cc1ccc(Cl)s1)C(=O)CCl	8390444	MAURPBDHTGQIFL-UHFFFAOYSA-N	252.166	2.989	50	40	CFGB	
COCCn1cc(C(=O)CCl)c2ccccc21	6678414	VPGJSFKUQFWLSF-UHFFFAOYSA-N	251.713	2.709	50	40	CFGB	
Cc1cccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])s2)c1	33319245	ADNVBUXQRCPHSI-ZSOIEALJSA-N	289.316	2.729	50	40	CFGB	
Cn1cc(OCc2ccccc2)c(=O)cc1CCl	74942158	BJJPMHQYNZBOBK-UHFFFAOYSA-N	263.724	2.703	50	40	CFGB	
C/C(=N\NC(=O)COc1ccc(C)c(C)c1)c1ccncc1	8182754	OUMLVGJIHNYZDM-XMHGGMMESA-N	297.358	2.618	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])c(C)c2)o1	2740526	GYPGIEDDCPIOHN-OVCLIPMQSA-N	287.275	2.569	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2/C[C@H]3CC[C@H]2C3)c1O	103918077	RNHVRARFPRPHMP-TXDDRFEGSA-N	258.321	2.606	50	40	CFGB	
CCCOc1ccc(NC(C#N)=C(C#N)C#N)cc1	101644728	PQUTYMUPKJIJNK-UHFFFAOYSA-N	252.277	2.712	50	40	CFGB	
O=C(NNC(=O)c1cccc(Cl)c1Cl)c1ccco1	8771154	QXOSMBXYNGOAFV-UHFFFAOYSA-N	299.113	2.661	50	40	CFGB	
N#C/C(=C/c1ccccc1F)C(=O)NCc1ccco1	16448898	CNXBWTSJEPBYIZ-WQLSENKSSA-N	270.263	2.642	50	40	CFGB	
COc1cccc(C2=NO[C@@H](CBr)C2)c1	217840701	KRPYMDJINMRBSL-SNVBAGLBSA-N	270.126	2.583	50	40	CFGB	
O=C(CCCl)c1ccn(S(=O)(=O)c2ccccc2)c1	12336852	QQUAUGIKXHNBJW-UHFFFAOYSA-N	297.763	2.537	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)[nH]1	13425442	MJGIROCYYAFQQX-CXUHLZMHSA-N	279.343	2.855	50	40	CFGB	
CCOC(=O)CP(c1ccccc1)c1ccccc1	2565406	PSFGJGLKZFVIHY-UHFFFAOYSA-N	272.284	2.682	50	40	CFGB	
CC(=O)N(C)c1nc(/C=C(\C#N)C(=O)C(C)(C)C)cs1	48984848	PPIPBEHHXHEBRA-UXBLZVDNSA-N	291.376	2.648	50	40	CFGB	
CCCCN1C(=O)C(=C(C#N)C#N)c2ccccc21	4549746	RKPZYPLSYDDQFO-UHFFFAOYSA-N	251.289	2.634	50	40	CFGB	
CC(C)[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N	19853036	IPBJODKCMRZNDM-OCCSQVGLSA-N	266.348	2.769	50	40	CFGB	
O/N=C/c1nc2ccccc2n1CCCCCl	95115861	BKIGTKZHHFMJJW-NTEUORMPSA-N	251.717	2.863	50	40	CFGB	
CCCCCCCNC(=O)[C@@H](C)Br	1576990	ZNRBXSFOAIZGBY-SECBINFHSA-N	250.180	2.856	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1	498054	VXZVJIZMKHRMAA-WOJGMQOQSA-N	263.300	2.631	50	40	CFGB	
O=C(CCl)Nc1cc2c(cc1Cl)OCCCO2	12505019	JGDWWKNQQXJVIA-UHFFFAOYSA-N	276.119	2.679	50	40	CFGB	
N#CC(C#N)=C(N)/C(C#N)=C/c1c(O)ccc2ccccc12	104836709	XYYKQJIFEYNBSQ-KPKJPENVSA-N	286.294	2.712	50	40	CFGB	
CC(C)C[C@H](C)/C=N/NC(=O)c1ccc2c(c1)OCO2	4131957	WGXJCYXNBMYBKP-AXLKIAQESA-N	276.336	2.813	50	40	CFGB	
Cc1ccccc1[C@H](O)C(=O)N/N=C1\CCCC[C@@H]1C	4975585	KWTNJKVVCOOGSF-LKBZMKBWSA-N	274.364	2.711	50	40	CFGB	
O=C(NNc1ccc(Cl)nn1)Nc1cccc(Cl)c1	16500380	YTUZHRQSYJXRTN-UHFFFAOYSA-N	298.133	2.932	50	40	CFGB	
CC1=C(C)[C@H](NCCCl)N(Cc2ccccc2)C1=O	19799068	GVWQERXQWWJMEU-CQSZACIVSA-N	278.783	2.520	50	40	CFGB	
CN(C)/C=C(\C#N)C(=O)c1ccc(Br)cc1	33413556	HFPTXOGUUFRBIN-CSKARUKUSA-N	279.137	2.601	50	40	CFGB	
BrCc1cnccc1Br	228904120	ZNEFTVWGSAOKOA-UHFFFAOYSA-N	250.921	2.739	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1ccc(Cl)cc1O	225753866	PEFGCLHCFSXZCW-NWSNBPMTSA-N	290.750	2.973	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(F)cc2)cc1	512100	MONXKALRHWAEGN-WOJGMQOQSA-N	270.307	2.827	50	40	CFGB	
CC(C)N1C(=O)CCN(C(=O)CCCl)c2ccccc21	5380844	DDUPADJALHZSFD-UHFFFAOYSA-N	294.782	2.794	50	40	CFGB	
C=CCNC(SCc1ccc(C(=O)O)cc1)=C(C#N)C#N	19597355	MQXPPXSYSZLQDN-UHFFFAOYSA-N	299.355	2.652	50	40	CFGB	
CCCC(=O)OC(=O)c1cc(F)c(F)c(F)c1F	100003580	MPIGKCZXQLXWQD-UHFFFAOYSA-N	264.174	2.727	50	40	CFGB	
CSC(SC)=C(C#N)C(=O)NCc1ccccc1	4293599	PHGDJVHOZTXSGJ-UHFFFAOYSA-N	278.402	2.764	50	40	CFGB	biogenic
CCN(C[C@H]1CCCN1Cc1ccccc1)C(=O)CCl	79393702	UDKPMJWDNLRPBQ-OAHLLOKOSA-N	294.826	2.738	50	40	CFGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)NC(C)C)o1	303606	JSMPOXBCHJLHNB-XFXZXTDPSA-N	275.352	2.557	50	40	CFGB	
CCOC(=O)C(C#N)=Cc1ccc(Br)cc1	1857790887	MJGTUYOCBQBORS-UHFFFAOYSA-N	280.121	2.919	50	40	CFGB	
CC[C@@H](Nc1cccc(C)c1)C(=O)N/N=C/c1ccco1	1001454	NRCBJDNOQNSTPP-QAEAHILHSA-N	285.347	2.929	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/[C@H]2C[C@H]3C=C[C@H]2C3)cc1	100356053	HHDYTLZRTTYXIY-GYZGJBQFSA-N	284.359	2.552	50	40	CFGB	
CCc1sc(C(=O)NNC(=O)[C@@H]2CC=CCC2)cc1C	12674869	ZZDDVVCKDRZFFD-LLVKDONJSA-N	292.404	2.736	50	40	CFGB	
O=C(N/N=C/c1ccccn1)NC12CC3CC(CC(C3)C1)C2	3909342	UETPNTVCIIQWDP-YBFXNURJSA-N	298.390	2.684	50	40	CFGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc[nH]2)c(OC)c1	6289550	RPKRJNCDCNTCIW-DHZHZOJOSA-N	297.314	2.578	50	40	CFGB	
O=C(N/N=C/c1ccco1)C12CC3CC(CC(C3)C1)C2	4737510	YERIRFPGVRFZTE-LICLKQGHSA-N	272.348	2.946	50	40	CFGB	
CC(C)[C@@H](Br)C(=O)N1CCC[C@H](C)C1	19427654	GELBNQNILVXHBL-VHSXEESVSA-N	262.191	2.664	50	40	CFGB	in-vitro
CC[C@H](Br)C(=O)Nc1ccc(C#N)cc1	61487421	NXLVPMYDDCHIID-JTQLQIEISA-N	267.126	2.670	50	40	CFGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)N1CCCCC1	252480704	CDUYFYUXUVPMGT-JLHYYAGUSA-N	285.303	2.514	50	40	CFGB	
CC1(C)OB([C@@H](N)CCCCBr)OC1(C)C	1307209428	CPERGQLZWYJKLQ-VIFPVBQESA-N	292.026	2.510	50	40	CFGB	
CC(C)(C)OC(=O)N/N=C/c1coc2ccccc2c1=O	180095	OGJZFGIQTLRAOQ-LZYBPNLTSA-N	288.303	2.652	50	40	CFGB	
ClCc1nc2c3c4c(sc3ncn2n1)CCCC4	520933	YPBOUEKRARFLFU-UHFFFAOYSA-N	278.768	2.957	50	40	CFGB	
O=S(=O)(CCCCl)c1cccc2cccnc12	3098231	BNJKWHFQGRZUNY-UHFFFAOYSA-N	269.753	2.637	50	40	CFGB	
C/C(=N/NC(=O)CSc1nc(C)cc(C)n1)C(C)(C)C	23382914	YYIOJRNHJVKXEV-BOPFTXTBSA-N	294.424	2.724	50	40	CFGB	
O=C(N/N=C/c1ccc(O)c2ccccc12)c1cccnc1	3170574	BHDAOGJMNYXKAV-YBFXNURJSA-N	291.310	2.704	50	40	CFGB	
CC/C(=N\NC(=O)c1cccnc1)c1ccc(F)cc1	5163208	OUQXAUAEYADJQE-NBVRZTHBSA-N	271.295	2.765	50	40	CFGB	
CC(C)Oc1ccc(/C=N/NC(=O)Cc2cccn2C)cc1	6389265	WTVCYZVODHEVAM-LDADJPATSA-N	299.374	2.505	50	40	CFGB	
O=C(/C=C/c1ccco1)NNc1ccc2ccccc2n1	6347072	FEXPQHBWHYSNIG-CSKARUKUSA-N	279.299	2.984	50	40	CFGB	
O=C(NNc1ccccc1[N+](=O)[O-])NC1CCCCC1	5603402	MQHLNORRFJSWRK-UHFFFAOYSA-N	278.312	2.554	50	40	CFGB	
COc1ccc(/C=C(/C#N)C(=O)N(C)C)c2ccccc12	408859000	RYQUMLKJNIMJAP-RAXLEYEMSA-N	280.327	2.844	50	40	CFGB	
COc1cc2c(cc1OC)CC(=O)N(CCCCl)C=C2	22007307	ODEZTTCXWTUAJT-UHFFFAOYSA-N	295.766	2.688	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O	408811080	QMQLBCNOBITCAE-CAXXOGMASA-N	278.739	2.867	50	40	CFGB	
N#C/C(=C/c1cccc(O)c1)C(=O)NCc1ccccc1	13882026	ARCYEXKYWISDAP-DHDCSXOGSA-N	278.311	2.616	50	40	CFGB	
CC(C)CC(=O)OC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C	100542673	BPBIBJIWSKSCNA-LLVKDONJSA-N	299.367	2.502	50	40	CFGB	
COc1ccc(/C=N/NC(=O)OC(C)(C)C)cc1OC	59366	RDQMYPKCIQCAHK-OQLLNIDSSA-N	280.324	2.562	50	40	CFGB	
C/C(=N\NC(=O)c1cccs1)c1cccc([N+](=O)[O-])c1	228100	UORAGBQBOYDNDX-NTEUORMPSA-N	289.316	2.810	50	40	CFGB	
C/C(=N\NC(=O)COc1ccccc1)c1ccccc1	4738152	MYQGODSJXBCMTF-GHRIWEEISA-N	268.316	2.606	50	40	CFGB	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)CCl	6882769	GFGQSTIUFXHAJS-CHWSQXEVSA-N	299.798	2.722	50	40	CFGB	
N#C/C(=C\c1cccc2nccn12)C(=O)Nc1ccccc1	89845635	BIZUBSKLRXXQLD-ACCUITESSA-N	288.310	2.880	50	40	CFGB	
CCCCOC(=O)[C@H](Br)C(F)(F)F	80440446	RLQAQSNFGWQIML-YFKPBYRVSA-N	263.053	2.656	50	40	CFGB	
C/C(=N\NC(=O)Cc1nc2ccccc2[nH]1)c1ccccc1	5612645	BSEPQBXMHRCXAZ-UDWIEESQSA-N	292.342	2.646	50	40	CFGB	
Cc1ccc(C(=O)[C@H](Br)CC(=O)O)c(C)c1	19927091	RECJKUOILVKCFS-SNVBAGLBSA-N	285.137	2.724	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)CNc1ccc(F)cc1	3226214	RYCIRCVVGFPREG-CAOOACKPSA-N	291.351	2.758	50	40	CFGB	
CCN(CC)S(=O)(=O)c1ccc(C)c(N=C=S)c1	3886301	JOVGKZWHXZOCKO-UHFFFAOYSA-N	284.406	2.760	50	40	CFGB	
O=C(CCl)N1CCC[C@H]1c1ccc2c(c1)OCCCO2	4205460	FDEJYVYKKSGDOH-LBPRGKRZSA-N	295.766	2.750	50	40	CFGB	
CC(=O)N/N=C(\C)c1cccc(NC(=O)c2ccccc2)c1	408719954	QHGLFJJRVAHYHM-XDHOZWIPSA-N	295.342	2.799	50	40	CFGB	
COc1cc(/C=C(\C#N)C(=O)C(C)C)cc(OC)c1O	44027251	RLGTVLWPEKEDOU-VZUCSPMQSA-N	275.304	2.541	50	40	CFGB	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)c1ccccc1F	96179248	OFXKXBPUTGAAMD-YRNVUSSQSA-N	269.279	2.956	50	40	CFGB	
CCC(/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1)CC	5732722	VSKNYMJHMKXCLE-NTEUORMPSA-N	263.297	2.747	50	40	CFGB	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H]1CBr	606301349	JYLQTSMQJJFJIY-HTQZYQBOSA-N	282.153	2.729	50	40	CFGB	
O=C(N/N=C/c1ccc(O)cc1)Nc1ccccc1	498178	GNYZNFWQURKGGI-XNTDXEJSSA-N	255.277	2.548	50	40	CFGB	
O=C(N/N=C\c1c(Cl)cccc1Cl)[C@H]1CCCO1	17023908	AVDPQMRWSJPQNX-LYGDGENHSA-N	287.146	2.623	50	40	CFGB	
CCOC(=O)N/N=C(/C)c1ccc(Br)cc1	5315577	IUPKDMWLCDWOFR-JYRVWZFOSA-N	285.141	2.919	50	40	CFGB	
O=C(/C=C/c1cccc(F)c1)NNC(=O)C1CCCCC1	6930743	XIDRXJYNCXWUQY-MDZDMXLPSA-N	290.338	2.567	50	40	CFGB	
Cc1cc2c(cc1C)N([C@H](C)C(=O)NN)C(C)(C)C[C@H]2C	260619409	LDJLZHKNEAPHOO-CHWSQXEVSA-N	289.423	2.774	50	40	CFGB	
Cc1ccc(OCC(=O)NN=Cc2ccccc2)cc1C	15222185	GWQMAAFAFCEWTA-UHFFFAOYSA-N	282.343	2.833	50	40	CFGB	
O=c1cc(CCl)nc(-c2ccc(C(F)(F)F)cn2)[nH]1	14989114	RBPFHIXTJDYDKK-UHFFFAOYSA-N	289.644	2.590	50	40	CFGB	
CC1(C)[C@]2(C(=O)NNc3ccccc3)CC[C@@]1(C)C(=O)C2	1462870	BOYHLQNNYGPZKO-DLBZAZTESA-N	286.375	2.915	50	40	CFGB	
CC(C)[C@H](Br)C(=O)NC1CCCCC1	19475593	ZKRGSPYOITYVDP-JTQLQIEISA-N	262.191	2.855	50	40	CFGB	
N#C/C(=C/C=C/c1ccco1)C(=O)NC1CCCC1	49422661	UOCOIZVAUVXBIE-RBODCXOJSA-N	256.305	2.802	50	40	CFGB	
CCCCSc1nnc(NC(=O)CCCl)s1	2451450	QQLHSCXQKISKGI-UHFFFAOYSA-N	279.818	2.998	50	40	CFGB	
O=C(N/N=C/c1cccnc1)c1ccccc1-n1cccc1	137728	KPQTVSREKYMIPN-CPNJWEJPSA-N	290.326	2.636	50	40	CFGB	
Cc1nc2ccccc2cc1C(=O)N/N=C/c1cccnc1	366255	CMQFCTZVAATYDJ-YBFXNURJSA-N	290.326	2.702	50	40	CFGB	
N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@H]1c1ccncc1	352361	MGGKVQUOUPODQZ-CQSZACIVSA-N	299.717	2.659	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1	6683843	LJGCTBZSBVNTSS-XDHOZWIPSA-N	293.326	2.721	50	40	CFGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1[C@@H]1C=CCCC1	546849	RMXGMFFYIQHSGJ-QMTHXVAHSA-N	270.332	2.690	50	40	CFGB	
CC1(C)[C@H]2CC=C(/C=N/NC(=O)c3ccncc3)[C@@H]1C2	20926865	RKMIHGGMEVPUDD-JXIDHOQNSA-N	269.348	2.790	50	40	CFGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCCO2)c1ccccc1	4834555	ZTIMNRSFSOJZEQ-LDADJPATSA-N	296.326	2.612	50	40	CFGB	
CC(C)(C)OC(=O)N1CCC(CC(=O)CCl)CC1	143122609	KJMKUTDDGREKOA-UHFFFAOYSA-N	275.776	2.832	50	40	CFGB	
Cn1/c(=N/NC(=O)CC2CCCC2)sc2ccccc21	6285696	GIKFVJLSBMGWCP-ICFOKQHNSA-N	289.404	2.752	50	40	CFGB	
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1F	6784362	WWTMWMIPVGCFPK-YRNVUSSQSA-N	298.273	2.783	50	40	CFGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(C)ccc2O)c1	222569	BJSNGSQAQCEGNN-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
O=C(N/N=C/c1cccc(O)c1)c1cc(Cl)ccc1O	5671320	BFWRMSOFGNPNQK-LZYBPNLTSA-N	290.706	2.515	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1cn(C)c2ccccc12	372832	JGAZKYUUHHFJCQ-DHZHZOJOSA-N	254.289	2.648	50	40	CFGB	
O=C(O)CC/C(=N\NC(=O)c1ccccc1)c1ccccc1	4016903	NLHWXHCMGGMCJD-OBGWFSINSA-N	296.326	2.686	50	40	CFGB	
CC(C)OC(=O)/C(C#N)=C/c1c(Cl)nc2sccn12	8321492	NFXQAPGRXVIZEN-VMPITWQZSA-N	295.751	2.908	50	40	CFGB	
C[C@@H](Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	39946620	VJDBJOQNMWGEKP-UWTATZPHSA-N	273.588	2.948	50	40	CFGB	in-vitro
O=C1[C@H](CCCl)Sc2nc3ccccc3n21	38700859	XUFPBOCBMCKSRT-VIFPVBQESA-N	252.726	2.780	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl	4542775	NJCUGBCIVYMFTG-VMPITWQZSA-N	271.103	2.858	50	40	CFGB	
CC(=O)c1c(C)[nH]c(C(=O)NN(C)c2ccccc2)c1C	40465460	CZKKABMFGSRLFJ-UHFFFAOYSA-N	285.347	2.615	50	40	CFGB	
CO[C@@H](c1ccc2c(c1)OCO2)[C@H](C)Br	1608721	JQJJDOUHCWKQHF-WRWORJQWSA-N	273.126	2.886	50	40	CFGB	
C[C@]12CC[C@H](CC1=O)[C@@]2(C)CI	4228142	FOPVQQUAABFQPF-FKTZTGRPSA-N	278.133	2.817	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(F)cc1)c1cc(F)ccc1O	103852803	BHODTHSGSBOHPF-GIJQJNRQSA-N	290.269	2.824	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(C)c([N+](=O)[O-])c1	408811160	LEPJXYSLUWUXHP-ZTFCMROMSA-N	287.319	2.725	50	40	CFGB	
CC1=CC(C)(C)N([C@@H](C)C(=O)NN)c2ccc(Cl)cc21	223194795	OZBPBZGZPFSDTC-JTQLQIEISA-N	293.798	2.720	50	40	CFGB	
CS(=O)(=O)c1ccc(CCl)c2ccccc12	85390944	CYDVXJQGXCKEFH-UHFFFAOYSA-N	254.738	2.982	50	40	CFGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	16228311	HDHIFQMHEBZOHB-JLHYYAGUSA-N	294.310	2.946	50	40	CFGB	
O=C(CN1CCCCC1)N/N=C/c1cccc2ccccc12	175421	NHPPTWYYOVVSQM-CPNJWEJPSA-N	295.386	2.776	50	40	CFGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1O	100176927	GNLXYQYPXVSRCD-FWFMUOECSA-N	272.348	2.669	50	40	CFGB	
COc1ccc(CC(=O)NNc2ccccc2C)cc1	12595236	CAWQAHXCMZHZGE-UHFFFAOYSA-N	270.332	2.689	50	40	CFGB	
CC(C)(C)c1cnnn1-c1ccc(C(=O)CCl)cc1	3164899	JXKMRHFSMKUTTP-UHFFFAOYSA-N	277.755	2.986	50	40	CFGB	
CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)CSC#N)C2	100092934	IXEVGHXRXDBAOB-GIPNMCIBSA-N	253.367	2.959	50	40	CFGB	in-vitro
O=C(CCl)N(Cc1ccccc1)CC(F)(F)F	4206239	IBUXFBXIJTWNTC-UHFFFAOYSA-N	265.662	2.816	50	40	CFGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CC#N)c1C	28216545	IYRSNGKNBHDAFW-YBFXNURJSA-N	294.358	2.766	50	40	CFGB	
O=C(CI)c1ccc(Cl)cc1	36382785	CEKRQODWEWQQFX-UHFFFAOYSA-N	280.492	2.958	50	40	CFGB	
CCOc1ccc(/N=C2\OCCN2CCCl)cc1	255187529	FEJQIACMPDXLIY-SQFISAMPSA-N	268.744	2.644	50	40	CFGB	
O=C(N/N=C/c1ccc[nH]1)c1cc2ccccc2cc1O	170346	BCIFVFLEPKBJSP-VCHYOVAHSA-N	279.299	2.637	50	40	CFGB	
CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	337032	FDMLXZRPAJOOME-ZROIWOOFSA-N	297.333	2.886	50	40	CFGB	
CC(C)CNC(=S)NNC(=O)c1csc(C(C)C)c1	2772094	OGJLWXUTCHFMJH-UHFFFAOYSA-N	299.465	2.636	50	40	CFGB	
Cc1ccc(CNC(=O)c2nnc(CCl)s2)cc1	20281392	LWKPWOKNZHXRJR-UHFFFAOYSA-N	281.768	2.515	50	40	CFGB	in-vitro
O=[P@]1(N(CCCl)CCCl)OC[C@H](CCl)O1	1562534	FBPDFKRQUQFZPE-NZFNHWASSA-N	296.518	2.528	50	40	CFGB	
O=Cc1coc2c(CCl)cc(Cl)cc2c1=O	3267984	YOGQLPPZMXSTNR-UHFFFAOYSA-N	257.072	2.998	50	40	CFGB	
CCCCOC(=O)/C=C\N(CCCl)CCCl	104044853	LQUVHMINABZOKU-DAXSKMNVSA-N	268.184	2.623	50	40	CFGB	
ClCCCSc1nc2c3ccccc3ncn2n1	24841894	NUDZOUOVCJVHQE-UHFFFAOYSA-N	278.768	2.999	50	40	CFGB	
CCOc1ccc([C@H](C)NC(=O)CCl)cc1OC	62146600	MVDICWLBXBYBSQ-VIFPVBQESA-N	271.744	2.510	50	40	CFGB	in-vitro
Cc1cc2c(cc1C)N([C@@H](C)C(=O)NN)C(C)(C)C[C@H]2C	260619411	LDJLZHKNEAPHOO-OLZOCXBDSA-N	289.423	2.774	50	40	CFGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cccnc2)cc1	34910756	DQICACAYOYNJIG-DHDCSXOGSA-N	284.340	2.728	50	40	CFGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccs1	67717	VAIWHJBXUXCDIR-ZDUSSCGKSA-N	270.313	2.672	50	40	CFGB	
ClC[C@@H](Br)[C@H](Cl)Br	1681471	YFBYCCVSVACJJD-GBXIJSLDSA-N	270.779	2.949	50	40	CFGB	
CCCNC(=O)/C(C#N)=C/c1c[nH]c2ccccc12	4591874	KEOASMQSZRWRJI-DHZHZOJOSA-N	253.305	2.601	50	40	CFGB	
C=CCc1ccc(OCC(=O)N/N=C/C(C)C)c(OC)c1	4575912	XUYRYAMSOAIFRS-LICLKQGHSA-N	290.363	2.561	50	40	CFGB	
Cc1cccc(C(=O)N/N=C\c2ccccc2Cl)n1	48860880	XFSXWEBAUUGOQF-SXGWCWSVSA-N	273.723	2.807	50	40	CFGB	
Cc1nc2ccccc2n1CC(=O)N/N=C/c1cccs1	276076	SVPILSKFYDZNQN-CXUHLZMHSA-N	298.371	2.557	50	40	CFGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccco1	7157974	GMBJHAOHWSFNEG-PHUCXXSHSA-N	258.321	2.881	50	40	CFGB	
C[C@]12C[C@H](Br)[C@H](Br)C[C@]1(C)O2	100182498	ZQEYVDVWGJJBOA-YWIQKCBGSA-N	283.991	2.855	50	40	CFGB	
O=C(Cl)c1ccc(Br)cc1[N+](=O)[O-]	98213485	NTHPXJQLZIGPLM-UHFFFAOYSA-N	264.462	2.736	50	40	CFGB	in-vitro
CCOc1ccc(NC(=O)NNC(=O)C(C)(C)C)c(C)c1	95982983	MJKXSUDZSLHXMX-UHFFFAOYSA-N	293.367	2.593	50	40	CFGB	
O=C(N/N=C\c1ccncc1)Nc1cccc(Cl)c1	32701894	VMWULKRPENCDJH-SXGWCWSVSA-N	274.711	2.891	50	40	CFGB	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccccc1	5667049	NAEMRRRYBSQVFH-HUUCEWRRSA-N	297.314	2.842	50	40	CFGB	aggregator
COc1ccccc1C(=O)N/N=C/c1sccc1C	5669724	VDNULAHSQZONAK-OQLLNIDSSA-N	274.345	2.829	50	40	CFGB	
CC(=O)Nc1ccc(NC(=O)[C@@H](C)Cl)cc1C	319785	KRKFRBLGCWXUFP-MRVPVSSYSA-N	254.717	2.519	50	40	CFGB	
C[C@@H](Br)C(Br)Br	2579089	ZLOLQHBVMYXNHX-UWTATZPHSA-N	280.785	2.886	50	40	CFGB	
CCOc1cccc(/C=N/NC(=O)c2ccccc2)c1O	3573030	ZAPGQDKJJRLJKY-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
O=C(NC1CC1)[C@H](Br)c1ccc(F)cc1	9256650	NNVQPUIQEPLXIJ-SNVBAGLBSA-N	272.117	2.540	50	40	CFGB	
CC1=C(C)[C@@H](NCCCl)N(Cc2ccccc2)C1=O	19799065	GVWQERXQWWJMEU-AWEZNQCLSA-N	278.783	2.520	50	40	CFGB	
C/C(=N\NC(=O)COc1ccccc1C)c1ccco1	584961	BAXCUHYLXOMREN-FOWTUZBSSA-N	272.304	2.507	50	40	CFGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	1019072	SNWCLGJEFWNOKZ-UKTHLTGXSA-N	270.332	2.659	50	40	CFGB	
CCCCN(CCCC)P(=O)(N1CC1)N1CC1	104331359	HSLLOTGYKSKIBY-UHFFFAOYSA-N	259.334	2.628	50	40	CFGB	
C[C@@H](Br)C(=O)N(C)c1ccc(F)cc1	65335489	HMBOPZTWTLUXDP-SSDOTTSWSA-N	260.106	2.572	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1	225605065	HHDYTLZRTTYXIY-ZBEUSTNYSA-N	284.359	2.552	50	40	CFGB	
C=Cc1cccc([Si](OCC)(OCC)OCC)c1	203550825	NFIQONWVAQATRV-UHFFFAOYSA-N	266.413	2.585	50	40	CFGB	
COc1cccc(OC)c1N(CCCl)CCCl	1665983	RTOQNKCHCUVCFL-UHFFFAOYSA-N	278.179	2.988	50	40	CFGB	
O=[P@@]1(N(CCCl)CCCl)OC[C@@H](CCl)O1	1562531	FBPDFKRQUQFZPE-MLXNANBUSA-N	296.518	2.528	50	40	CFGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccco1	20249009	LECNLLVYJGKOCH-HGLKBHAMSA-N	274.345	2.911	50	40	CFGB	
COC(=O)/C(C#N)=C/c1ccccc1Br	36594	SSKFRKHFQPOMDS-RMKNXTFCSA-N	266.094	2.529	50	40	CFGB	
O=[N+]([O-])c1ccc(CN(CCCl)CCCl)cc1	95832228	VILGSMWHEGRABG-UHFFFAOYSA-N	277.151	2.874	50	40	CFGB	
C/C(=N/NC(N)=O)[C@@](C)(OCC(C)C)c1ccccc1	5700001	VPNNIROKWMPBJI-UHVIJJLKSA-N	277.368	2.619	50	40	CFGB	
COc1ccc(CCN2C=C[C@H](C#N)C(C#N)=C2)cc1OC	5081987	QURKGZBHOIVULX-CQSZACIVSA-N	295.342	2.623	50	40	CFGB	
CC/C(=N\NC(=O)Cc1ccccc1)c1ccccc1O	15938598	FEZXXTFHXKZWTO-OBGWFSINSA-N	282.343	2.865	50	40	CFGB	
COc1ccc(C(=O)N/N=C/c2sccc2C)cc1	250921	VNVNPKGTKHDWRQ-OQLLNIDSSA-N	274.345	2.829	50	40	CFGB	
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CSC#N)C2	1666839	IXEVGHXRXDBAOB-OPQQBVKSSA-N	253.367	2.959	50	40	CFGB	in-vitro
Br[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1Br	100808145	QMXMUMFLBFAAGK-RNGGSSJXSA-N	251.949	2.719	50	40	CFGB	
CCCCNC(=S)NNC(=O)c1csc(C)c1CC	8855133	GRDBFAQRWZTTQG-UHFFFAOYSA-N	299.465	2.528	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2c(C)oc(C)c2C)cc1	14169356	SISSHQIILMYJBG-UHFFFAOYSA-N	286.331	2.588	50	40	CFGB	
O=[N+]([O-])c1ccc(/C=C\C2(CCl)OCCO2)cc1	31666710	HOUUSEDRFDXIKN-WAYWQWQTSA-N	269.684	2.590	50	40	CFGB	
O=C1NC2(CCCCC2)N=C2[C@H](Cl)CCC[C@@]12Cl	31861199	ASJBUOKNTTYTBM-RNCFNFMXSA-N	289.206	2.987	50	40	CFGB	
CC1(CC(=O)N/N=C/c2ccc(F)cc2)SCCS1	38534948	YAMPUSAMSDVRMG-OQLLNIDSSA-N	298.408	2.862	50	40	CFGB	
C[C@H]1CC[C@H]2c3c(nc(CCl)[nH]c3=O)S[C@@H]2C1	71981129	WVSFLXFOASPUSP-XLPZGREQSA-N	270.785	2.887	50	40	CFGB	
CCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1	495071	HIQPHLODNUBOLI-AWEZNQCLSA-N	298.321	2.569	50	40	CFGB	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)O	2362408	YLPDIFBYWSZEDK-CLFYSBASSA-N	284.227	2.846	50	40	CFGB	
COc1ccc(NCC(=O)NN=C2CCC(C)CC2)cc1	5119790	MCFJNRUNGWMPKL-UHFFFAOYSA-N	289.379	2.789	50	40	CFGB	
N#C/C(=C/c1ccc(O)cc1)c1nc(N)c2ccccc2n1	97073520	WOZBWPXZXTZMSN-XFXZXTDPSA-N	288.310	2.982	50	40	CFGB	
CN1C(N)=C(C#N)[C@H](c2ccc(F)cc2)C2=C1CCCC2=O	409127116	IPIQDEQGMNBJJF-HNNXBMFYSA-N	297.333	2.556	50	40	CFGB	
CC(C)[C@H](NC=C(C#N)C#N)c1nc2ccccc2[nH]1	13143118	HCDJHQWNWPQKEN-AWEZNQCLSA-N	265.320	2.781	50	40	CFGB	
Cc1cc(C)c(C#N)c(NNC(=O)Nc2ccccc2)n1	140972	WLDMLCMXUYEEEL-UHFFFAOYSA-N	281.319	2.719	50	40	CFGB	
CC(C)c1ccc(C(=O)NNC(=O)c2cccs2)cc1	569147	OCTXKFFYZKXJMO-UHFFFAOYSA-N	288.372	2.946	50	40	CFGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccccn1	5416382	USVJXJVWCMAERD-QGOAFFKASA-N	267.332	2.820	50	40	CFGB	
NNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1	216737530	KMLVXMLKXFAOJB-UHFFFAOYSA-N	271.103	2.857	50	40	CFGB	
O=C(CCl)N(Cc1nccc2ccccc12)C1CC1	79422080	VRDNKVRJRRIUAX-UHFFFAOYSA-N	274.751	2.965	50	40	CFGB	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccccc2)c1	12462849	KTWPHBSDJWGMJB-AWEZNQCLSA-N	282.343	2.913	50	40	CFGB	
C/C(=N/NC(=O)CCc1ccccc1)c1ccccn1	18194487	KVNMRPKFKCTJFM-AQTBWJFISA-N	267.332	2.555	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2c(C)nc3sccn23)cc1	59459676	ZWMNYPGCYKDFAO-CXUHLZMHSA-N	298.371	2.777	50	40	CFGB	
C[n+]1c2n(c3ccccc31)[C@](C)(CBr)CS2	16946227	RBZADCNKICBMNV-GFCCVEGCSA-N	298.229	2.682	50	40	CFGB	
CC(=O)N/N=C/c1cccn1-c1ccc(C)cc1C	409014282	IGJFEUUSVCKSFB-MHWRWJLKSA-N	255.321	2.564	50	40	CFGB	
COc1cccc(C(=O)N/N=C(\C)c2ccc(O)cc2)c1	5381957	AQNDCAWIMMHNPY-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1C	143327	MQNGEXLLWBJZFU-OAHLLOKOSA-N	268.316	2.666	50	40	CFGB	
Cc1[nH]c2ccc(CNC(=O)CCl)cc2c1C	4992589	JRPYPXCMFHYFEA-UHFFFAOYSA-N	250.729	2.640	50	40	CFGB	
CN(C)c1ccc(/C=C2\C(=O)OC(=O)c3ccccc32)cc1	100510457	UAISOHSJGIBKRC-WJDWOHSUSA-N	293.322	2.990	50	40	CFGB	
CCc1ccc(/C=N/NC(=O)CNc2ccccc2F)cc1	3225778	QMVDIIWKJWBIMH-RGVLZGJSSA-N	299.349	2.950	50	40	CFGB	
CCN(C(=O)CCl)c1nc2ccccc2s1	4205920	XHZMFHWLTWEYOK-UHFFFAOYSA-N	254.742	2.888	50	40	CFGB	
O=C(CCCO)NNc1c2ccccc2nc2ccccc12	5485615	PIBMWTKFTYHXJS-UHFFFAOYSA-N	295.342	2.604	50	40	CFGB	
CC1=CC(C)(C)N(C(C)(C)C(=O)NN)c2cc(C)ccc21	223207161	NMVHVANOHYRZMO-UHFFFAOYSA-N	287.407	2.765	50	40	CFGB	
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]2[C@@H]1CBr	952958976	OWEMGANBIHEQLQ-HLTSFMKQSA-N	276.174	2.637	50	40	CFGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1CCc1ccccc1	32616	HJLQDQMWVYCMCF-ZDUSSCGKSA-N	294.354	2.967	50	40	CFGB	
COc1ccccc1/C=C(\C#N)C(=O)NCc1ccco1	227332	RNYRKWLHSXLDEA-UKTHLTGXSA-N	282.299	2.512	50	40	CFGB	
CO[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)Br	1608722	JQJJDOUHCWKQHF-RDDDGLTNSA-N	273.126	2.886	50	40	CFGB	
O=C(CSc1ccccc1)N/N=C/c1cccs1	59167041	PERGLAVKHXUWDU-NTEUORMPSA-N	276.386	2.991	50	40	CFGB	
O=C(NNc1ccc(F)cc1)[C@H]1C[C@H]1c1ccco1	49376424	UOWFAHORFHRYFC-NEPJUHHUSA-N	260.268	2.666	50	40	CFGB	
C=CCOc1ccc(NC(=O)CBr)cc1	35605029	RBUQRDOXYBJHTP-UHFFFAOYSA-N	270.126	2.585	50	40	CFGB	
CC[C@@]1(c2ccccc2)CCCC/C1=N/NC(N)=O	17161777	ZZBXPPYFVYWOJM-SUCHYCSPSA-N	259.353	2.933	50	40	CFGB	
COc1cccc(C(=O)N/N=C/c2ccccc2C)c1	369874	ILQGIFRWAAUBRU-GZTJUZNOSA-N	268.316	2.768	50	40	CFGB	
O=C(O)CCCP(c1ccccc1)c1ccccc1	3099500	BEZZIJDXCBTGSM-UHFFFAOYSA-N	272.284	2.984	50	40	CFGB	
CCN(CC)P(=O)(N1CC1(C)C)N1CC1(C)C	104084949	WXASVERUGIPRNU-UHFFFAOYSA-N	259.334	2.625	50	40	CFGB	
COc1ccc(C2=NC[C@H](CBr)S2)cc1	3379286	HBOKCXDFZREDOY-JTQLQIEISA-N	286.194	2.952	50	40	CFGB	
Cl[C@H]1CCC[C@@H]1Sc1nnn(-c2ccccc2)n1	4837636	RMAPZEOGSRFOLN-QWRGUYRKSA-N	280.784	2.914	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2ccccc2)c(O)c1	409391901	LZIMTEPESMCXTA-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1	33319270	MUECMEYRSRAEQJ-YBEGLDIGSA-N	283.287	2.667	50	40	CFGB	
O=C(N/N=C/c1ccccc1Cl)[C@@H](O)c1ccccc1	3024899	RTUSSZLCHCVLKF-FBJMNJBLSA-N	288.734	2.524	50	40	CFGB	
C[C@@H](CSSC[C@@H](C)[N+](C)(C)C)[N+](C)(C)C	13306551	WIQFHRDEBXPESV-TXEJJXNPSA-N	266.520	2.557	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)c2cccc(OC)c2)cc1	5381958	DWWAYPFTIYEHJS-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc(C(C)C)cc1	4566813	XPBUBZIRSIJACP-LDADJPATSA-N	284.363	2.996	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1ccc(Br)s1	42560	GOMYOVLUMFJXKB-FNORWQNLSA-N	286.150	2.981	50	40	CFGB	
Cc1cccc(C(=O)NNC(=O)c2ccccc2Cl)c1	46182	MWTYZYMKQZYBSF-UHFFFAOYSA-N	288.734	2.723	50	40	CFGB	
CC(C)/C=N/NC(=O)c1ccc(Br)cc1	175707	CBYLEGKJTYPOAJ-NTUHNPAUSA-N	269.142	2.821	50	40	CFGB	
CCCC(=O)NNC(=S)Nc1ccc(C(C)C)cc1	6389036	RUYHBMARKKMPPD-UHFFFAOYSA-N	279.409	2.928	50	40	CFGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(F)cc2)c(F)c1	408967087	PDSJAVVODWSQDA-DJKKODMXSA-N	285.253	2.600	50	40	CFGB	
N#C/C(=C/c1ccco1)C(=O)Nc1nnc(C(F)F)s1	71889015	LUVZDQSSCGCLSE-XQRVVYSFSA-N	296.258	2.614	50	40	CFGB	
[O-][n+]1ccccc1S[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1Cl	36505344	VPJMOIZJZVYUCD-SPFNVWMYSA-N	255.770	2.818	50	40	CFGB	
ClC[C@H]1CN2Cc3ccccc3-n3cccc3[C@@H]2O1	225377369	DJDGMYSQBZOTRH-WFASDCNBSA-N	274.751	2.929	50	40	CFGB	
C/C=C(\I)CBr	90628698	BWGFXGKYRIWCCL-RQOWECAXSA-N	260.900	2.720	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2c(C)cccc2[C@H](C)CC1(C)C	260619423	LMKUYJWBCIBBCH-OCCSQVGLSA-N	289.423	2.856	50	40	CFGB	
N#CC1=C(/N=C/c2cc([N+](=O)[O-])ccc2O)CCC1	5943983	NPRFLBUNCNVBCJ-OVCLIPMQSA-N	257.249	2.681	50	40	CFGB	
Nc1ccc(C(=O)N/N=C\C=C\c2ccccc2)cc1	17024610	ZEFVWVLAAHAGBG-AJQFYOASSA-N	265.316	2.698	50	40	CFGB	
COc1cccc(/C=C(\C#N)C(=O)C(C)C)c1OC	40549614	JWBZYRSZJZXGSS-XYOKQWHBSA-N	259.305	2.836	50	40	CFGB	
Cc1nc(C)c2c(n1)S[C@@H](CBr)C2	22114746	NOBBLBNFRLZRBN-SSDOTTSWSA-N	259.172	2.505	50	40	CFGB	
CS(C)(=O)=NP(=O)(c1ccccc1)c1ccccc1	98043528	NHIHWJRDXNGYHE-UHFFFAOYSA-N	293.328	2.643	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1c(C)n(C)c2ccccc12	408806536	BDBZVQWZULIAQH-FMIVXFBMSA-N	268.316	2.957	50	40	CFGB	
CN(Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)CCl	79414871	PDRDKSNPCXMMAJ-GJZGRUSLSA-N	294.826	2.785	50	40	CFGB	
CN(C)/C=C(/C=O)c1ncc(C(F)(F)F)cc1Cl	33337033	WXHDOMJHHHLTPH-ALCCZGGFSA-N	278.661	2.855	50	40	CFGB	
O=C1S[C@H](Br)C(=O)N1c1ccc(F)cc1	16669777	ZWIXQGTXMDNDEF-ZETCQYMHSA-N	290.113	2.747	50	40	CFGB	
CO[C@]1(C)C[C@@H](NC(=O)/C(C#N)=C\c2ccco2)C1(C)C	73274785	SKWWHHNAFBBZPP-KPINVXIWSA-N	288.347	2.506	50	40	CFGB	
CC(C)Oc1ccccc1/C=N\NC(=O)c1ccccc1O	207803875	YCJJAJZRPVPAKA-WQRHYEAKSA-N	298.342	2.943	50	40	CFGB	
CCCCSC1=C(C#N)C(=O)NC(C)(C)S1	6720958	BYCZEWNXYNCASW-UHFFFAOYSA-N	256.396	2.854	50	40	CFGB	
CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)C2CCCC2)C1(C)C	48482266	IWBNOSHVEAPYQC-CHWSQXEVSA-N	278.396	2.562	50	40	CFGB	
N#C/C(C(=O)N1CCCCC1)=C1/Nc2ccccc2S1	13127803	VTCMMJCRIYQNRZ-SDNWHVSQSA-N	285.372	2.952	50	40	CFGB	
N#C/C(=C/c1ccco1)C(=O)NCc1ccccc1	4723682	GSHOWOVDVQOHCN-LCYFTJDESA-N	252.273	2.503	50	40	CFGB	
Cc1cc(Cl)ccc1N1C[C@H](C(=O)Cl)CC1=O	45954261	UAYIHCZXSZDMBX-MRVPVSSYSA-N	272.131	2.767	50	40	CFGB	
CN(C)c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1	83310769	KUHYHURQOQHSPC-UNOMPAQXSA-N	299.349	2.585	50	40	CFGB	
I[C@@H]1CCC[C@@H]2CC[C@H]1O2	45069870	ZVJZYCQQROXHBI-BWZBUEFSSA-N	252.095	2.522	50	40	CFGB	
FC(F)(Cl)C(F)(F)CI	91251907	IDSGEQCLNGLDQB-UHFFFAOYSA-N	276.398	2.888	50	40	CFGB	
CC(C)N1C(=O)C[C@H](C)N(C(=O)CCl)c2ccccc21	5533224	OAOBBGFRQCXHPC-NSHDSACASA-N	294.782	2.792	50	40	CFGB	
Cc1cc(-n2c(C)cc(C(=O)NN)c2C)ccc1Cl	223702423	IXVPUMGFKQCZOD-UHFFFAOYSA-N	277.755	2.659	50	40	CFGB	
CC(=O)c1ccc(NC(=O)N(CCCl)N=O)cc1	4914289	ORTCFPGDEOWLRK-UHFFFAOYSA-N	269.688	2.643	50	40	CFGB	
CCOC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O	104106258	MVKVCPOZAMQBKR-ACAGNQJTSA-N	277.107	2.779	50	40	CFGB	
Cn1cc(C(=O)NN(c2ccccc2)c2ccccc2)cn1	48237922	SMRKCRVKIRDRBX-UHFFFAOYSA-N	292.342	2.903	50	40	CFGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1cccs1	408822210	ILFQWONYNHSSCY-NTUHNPAUSA-N	290.373	2.530	50	40	CFGB	
Cc1ccc(CC(=O)NN(C)c2ccccc2)cc1	3156331	DWHHJIASVFKMLU-UHFFFAOYSA-N	254.333	2.705	50	40	CFGB	biogenic
CC1(C)CN(Cc2ccccc2)C[C@H](CCl)O1	158755815	DMLFMRGOSPSXGI-ZDUSSCGKSA-N	253.773	2.905	50	40	CFGB	
C/C(=C\c1ccco1)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	32575	ZETCJLQRBCEWTM-WAFBPQNNSA-N	282.303	2.585	50	40	CFGB	
COc1ccc(C(=O)CBr)cc1Cl	27745624	OIMMLGVIZOHKSH-UHFFFAOYSA-N	263.518	2.926	50	40	CFGB	
N#Cc1cccc(NNC(=O)Nc2ccccc2)c1	58436401	MPVJGGBTABOEBP-UHFFFAOYSA-N	252.277	2.707	50	40	CFGB	
CC1(C)CC(=O)C=C(NNC(=O)c2ccc(Cl)cc2)C1	4195963	GDRSXMYMYCYHPU-UHFFFAOYSA-N	292.766	2.847	50	40	CFGB	
O=Cc1ccc(OCCCl)c(OCCCl)c1	136955897	XUBTZPMMFZMQRY-UHFFFAOYSA-N	263.120	2.734	50	40	CFGB	
Cc1ccc2onc([C@H](Br)C(=O)O)c2c1	41195296	RPVQGEUXBSHVAJ-QMMMGPOBSA-N	270.082	2.657	50	40	CFGB	
NC(=O)N/N=C/c1cccc2c(Br)cccc12	4266378	OTNGJJRIIKJRHD-VIZOYTHASA-N	292.136	2.605	50	40	CFGB	
CCCCOc1cccc(/C=C(\C#N)C(=O)OC)c1	2768618	MVLRSAHGENPNLD-UKTHLTGXSA-N	259.305	2.945	50	40	CFGB	
COc1ccc([C@H](CC(=O)Cl)C(=O)Cl)cc1	100687975	OINNYYNMGVJWMY-VIFPVBQESA-N	261.104	2.700	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)n2)cc1	1803205	ZVJGAWAZIOELTB-GXDHUFHOSA-N	293.326	2.944	50	40	CFGB	
C[C@H]1CN(/C(=C/C#N)c2ccc(F)cc2)C[C@H](C)O1	72314600	NVUIYDNSZGBFNH-WVVQMSQFSA-N	260.312	2.799	50	40	CFGB	
CCNC(=S)P(=O)(c1ccccc1)c1ccccc1	2577587	VOEOOWADPSKMAD-UHFFFAOYSA-N	289.340	2.895	50	40	CFGB	
O=C(Cl)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1	4240746	WVIBCUKTQAQPKH-GFCCVEGCSA-N	281.739	2.801	50	40	CFGB	
N#C/C(=C/c1ccccc1)C(=O)NCc1ccccc1	5773607	GUURNUUYOORXRM-WJDWOHSUSA-N	262.312	2.910	50	40	CFGB	
ClCc1nc(-c2ccncc2Br)no1	91303497	VGTSKMWMIPYDHN-UHFFFAOYSA-N	274.505	2.633	50	40	CFGB	
COc1cccc(/C=C(\C#N)C(=O)NC2CCCC2)c1	258468	CJUCHPUXACACQN-UKTHLTGXSA-N	270.332	2.661	50	40	CFGB	
CSc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	43324	IOGQAGRZLRLDCU-MHWRWJLKSA-N	286.356	2.878	50	40	CFGB	
COC(=O)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)OO1	1567382	JBYWPAJNSNZGIU-KRWDZBQOSA-N	297.310	2.507	50	40	CFGB	
COc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2)cc1	516818	MVSBLSGVQNKXLQ-LDADJPATSA-N	282.343	2.696	50	40	CFGB	
O=C(/C=C/c1ccsc1)NNc1ccccc1[N+](=O)[O-]	12615275	WGTYXZACINZPTL-AATRIKPKSA-N	289.316	2.813	50	40	CFGB	
Cc1cc(C(=O)NNC(=O)c2cc3ccccc3o2)c(C)o1	3411257	ZCWHOKGXEXLFBH-UHFFFAOYSA-N	298.298	2.717	50	40	CFGB	
O=C(CCl)N(CC1=CCSC1)c1ccccc1	4206400	GBSKRLLCTCYAAB-UHFFFAOYSA-N	267.781	2.932	50	40	CFGB	
C[C@H]1CCC/C(=N\NC(=O)c2ccc3c(c2)OCO3)C1	13955720	RCLRQTDHOZVNJW-XYSKEJRNSA-N	274.320	2.711	50	40	CFGB	
O=C(N/N=C\c1cccnc1)c1cc2ccccc2o1	33325737	RZXPNOSCWJYQCV-YVLHZVERSA-N	265.272	2.592	50	40	CFGB	
CCOc1ccccc1/C=N\NC(=O)c1ccc(C)nc1	30803181	DUDOAFPIDCFXEV-WQRHYEAKSA-N	283.331	2.553	50	40	CFGB	
O=c1cc(CCl)c2cc3oc(=O)sc3cc2o1	11865320	HLYBJEBJOPLBQM-UHFFFAOYSA-N	268.677	2.700	50	40	CFGB	
CCC[C@@H](OC(=O)CCl)[C@H](CC)COC(=O)CCl	1687398	VKJPFWKYQBHZSI-NXEZZACHSA-N	299.194	2.745	50	40	CFGB	
CCCC[C@@H](CC)C(=O)NNC(=O)c1cccc(C)c1	1750054	QFLSYQBXOKVKKW-CYBMUJFWSA-N	276.380	2.972	50	40	CFGB	
CCNc1ccc(C(=O)NN=C2CCCC2)cc1[N+](=O)[O-]	4871625	DVMQHIJJUZRTNW-UHFFFAOYSA-N	290.323	2.686	50	40	CFGB	
O=C(CBr)c1cccnc1C(F)(F)F	199751633	NLABIYQCOXZOEV-UHFFFAOYSA-N	268.032	2.678	50	40	CFGB	in-vitro
BrCc1ccc(-c2nn3cnnc3s2)cc1	41126787	GAMBHGFRUARREN-UHFFFAOYSA-N	295.165	2.748	50	40	CFGB	
O=C(OCc1ccccc1)N1CC[C@@H](CCl)C1	79436570	YWMTYWDGXMOXFT-LBPRGKRZSA-N	253.729	2.884	50	40	CFGB	in-vitro
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1	262955	JBMIHGGLTDJYSG-VCHYOVAHSA-N	299.305	2.548	50	40	CFGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1[C@]12C=C[C@@H](CC1)C2	100714610	GWGGFXVBQUTMEE-GLZQIGESSA-N	282.343	2.690	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2O)cc1C	59720955	RAJHXTQFPJBADT-VXLYETTFSA-N	297.358	2.571	50	40	CFGB	
C[C@@H]1COCCN1C(=O)CCCC[C@H]1CCSS1	47508853	UFZLEFDAZQEDRM-NEPJUHHUSA-N	289.466	2.948	50	40	CFGB	
CCOC(=O)/C(=C(/O)[C@@H](C)Cl)c1nc(C)cs1	100205342	ZLIUAHMLCOHCFJ-BDGYDECCSA-N	275.757	2.911	50	40	CFGB	
O=C(Cn1ccc2ccccc21)N/N=C/c1ccccc1F	4676718	JVSFIOOPHCUHRA-YBFXNURJSA-N	295.317	2.931	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1C)c1cccc(O)c1	5620118	PLAKZXPPIJBBBS-SFQUDFHCSA-N	268.316	2.855	50	40	CFGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccsc1	409001922	XZKHBEFHZFSJFJ-OVCLIPMQSA-N	274.345	2.829	50	40	CFGB	
CCN(NC(=O)[C@@H]1Cc2ccccc2O1)c1ccc(C)cc1	69350564	PEWVQJNHSCSNHL-KRWDZBQOSA-N	296.370	2.856	50	40	CFGB	
N#CC(=C1C(=O)c2ccccc2C1=O)c1nc2ccccc2[nH]1	148178	CGUJIKORLUETBF-UHFFFAOYSA-N	299.289	2.919	50	40	CFGB	
O=C(OCCCl)c1ccc(Cl)c([N+](=O)[O-])c1	1689194	LMFIMMYATXNUKB-UHFFFAOYSA-N	264.064	2.644	50	40	CFGB	
CC(C)Oc1ccc(NC(=O)CBr)cc1	35605053	YKSOEITWUFATLX-UHFFFAOYSA-N	272.142	2.807	50	40	CFGB	
O=C(N/N=C\c1cc(Cl)nc(Cl)c1)c1cccnc1	33376844	YOXCSWBPOHPIFY-SOFYXZRVSA-N	295.129	2.547	50	40	CFGB	
C/C(=N\NC(N)=O)C1c2ccccc2Cc2ccccc21	16951902	QEODUBYVEDIHBR-YBFXNURJSA-N	279.343	2.767	50	40	CFGB	
N#C[C@H]1C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br	169799412	DEEVDUKZMAWCQE-RQJABVFESA-N	291.192	2.794	50	40	CFGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cccnc1	231116	LGFQGIZUQJVBJW-UFWORHAWSA-N	293.248	2.864	50	40	CFGB	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1cccc(F)c1	196790	ZQDDHNXMFGSCCR-OAHLLOKOSA-N	281.290	2.626	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1ccc(Cl)cc1F	102882067	ZSEBDGHEJRCHGT-BQYQJAHWSA-N	268.675	2.862	50	40	CFGB	
C[C@H](Cl)C(=O)N(C)CCOc1ccc(Cl)cc1	12505693	RUAKVJUANQEEFS-VIFPVBQESA-N	276.163	2.805	50	40	CFGB	in-vitro
CC1=C(C=O)[C@@H]2[C@H](C(=O)O)[C@@]1(C)CC[C@@H]2C(C)C	1534690800	HXNYRJOYXPCWDK-OPQSFPLASA-N	250.338	2.905	50	40	CFGB	
C[C@@]1(Cc2ccccc2)CCCC/C1=N\NC(N)=O	17013636	DVBLNGOZMQFTGF-XOAFGZPJSA-N	259.353	2.834	50	40	CFGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ccc(C(=O)O)cc1	6209959	RHZRBNKJTHMULO-DHZHZOJOSA-N	298.323	2.992	50	40	CFGB	
C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C	45944	ADRLNAFQMBKRJI-ZROIWOOFSA-N	263.297	2.747	50	40	CFGB	
CCCCCCCC[S@@](=O)C[C@H](O)CCl	100243476	DOGDGSIXWAWHNZ-ABAIWWIYSA-N	254.823	2.695	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1[N+](=O)[O-]	102591864	CFPPWGPKIMBLIM-ZFAGHGMXSA-N	287.319	2.747	50	40	CFGB	
O=C1CCc2cc(C(=O)CCl)cc(Cl)c2N1	41629123	GWSJCORSXGFSKX-UHFFFAOYSA-N	258.104	2.646	50	40	CFGB	
CC[C@@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	20190685	IZVAYQZEQANPHN-SNVBAGLBSA-N	275.801	2.545	50	40	CFGB	
CC(C)=NNC(=O)[C@H](C)SCc1ccccc1	408720142	UBAHKZOTDBOPRT-NSHDSACASA-N	250.367	2.820	50	40	CFGB	
O=C(CBr)c1ncccc1C(F)(F)F	90627406	XALSGRQATDLXAI-UHFFFAOYSA-N	268.032	2.678	50	40	CFGB	
C/C(=N\NC(=O)CNc1ccccc1Cl)C1CC1	12362318	UJNWRTHTKHHVQB-CXUHLZMHSA-N	265.744	2.654	50	40	CFGB	
CCCCOCCOC(=O)[C@@H](Br)CC	1586492	HIANBVZTIHWZGQ-VIFPVBQESA-N	267.163	2.520	50	40	CFGB	
C#CCOc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1	8812214	CKULHOGBKQDRFU-XDHOZWIPSA-N	296.301	2.602	50	40	CFGB	
Cn1cc(/C=C(\C#N)c2ccccn2)c(-c2cccnc2)n1	63275087	WIAQHVZLVYBPRH-NTEUORMPSA-N	287.326	2.941	50	40	CFGB	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccnc1	5494614	AFTLNAQILZSRJQ-LNKBOXHWSA-N	279.343	2.726	50	40	CFGB	
CCC(CC)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	4699473	FMJBBSJOWLNJTN-UHFFFAOYSA-N	275.352	2.534	50	40	CFGB	
CCOc1ccccc1/C=C(\C#N)C(=O)N[C@H](C)CC	408800337	MGUPWUYLPOIPED-HLVNSREUSA-N	272.348	2.907	50	40	CFGB	
CCn1c(C)cc(/C=N\NC(=O)c2ccccc2O)c1C	409071344	QSUHDMRMMONNQN-YVLHZVERSA-N	285.347	2.594	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2ccc(F)cc2[C@H](C)CC1(C)C	260612709	ALISWAPSJOBDPR-MFKMUULPSA-N	293.386	2.686	50	40	CFGB	
C[C@@H](Br)C(=O)N[C@H](C)c1ccccc1	3165499	QYAAFAXOBIYBIR-RKDXNWHRSA-N	256.143	2.647	50	40	CFGB	
CC1=CC[C@H](/C=N\NC(=O)COc2ccccc2)CC1	4724618	XXWLXIOCKAIMOV-FMNVXAMXSA-N	272.348	2.914	50	40	CFGB	
COc1cccc(/C=N/NC(=O)CNc2cccc(C)c2)c1	4746731	FRSDEALJRHNUMH-YBFXNURJSA-N	297.358	2.566	50	40	CFGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1cccc(C(=O)O)c1	408543085	ORXDJBZRKWDTNL-ZROIWOOFSA-N	292.294	2.930	50	40	CFGB	
OCc1c(Br)cccc1CBr	238700459	ISROEZSJGVTVDN-UHFFFAOYSA-N	279.959	2.836	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1[N+](=O)[O-]	4646746	CFPPWGPKIMBLIM-QQYHRITMSA-N	287.319	2.747	50	40	CFGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccccc1	408721539	SGVMQMPLWDWVOP-VDFFQNMGSA-N	256.349	2.963	50	40	CFGB	
CCOc1ccccc1/C=N/NC(=O)c1ccc(C)o1	583022	WQSXIUKTYBCQLQ-MHWRWJLKSA-N	272.304	2.751	50	40	CFGB	
CC1(C)O[C@@H](CCl)[C@@H]2OC(C)(C)O[C@@H](CCl)[C@@H]2O1	5004186	HAHIUCXCJSRCCO-XKNYDFJKSA-N	299.194	2.504	50	40	CFGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(C#N)cc1	100921353	RKZAWWHRWQDNBK-GFGCLSSMSA-N	281.359	2.835	50	40	CFGB	
Nc1ccc(C(=O)NN=C2C3CC4CC(C3)CC2C4)cc1	45747	WUUZZIPQQLKUFG-UHFFFAOYSA-N	283.375	2.811	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(C)cc1)c1ccccc1O	112452	KDVFNJIBSPWPOC-SFQUDFHCSA-N	268.316	2.855	50	40	CFGB	
O=C(NCCCl)N[C@@H]1CCSc2ccccc21	4994133	FPMGZVWNTSTEOW-SNVBAGLBSA-N	270.785	2.762	50	40	CFGB	
O=C(N/N=C/c1cccnc1)c1csc2c1CCCC2	2762596	GEQTXJKZJHWNGD-RQZCQDPDSA-N	285.372	2.786	50	40	CFGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCCC1	15900681	LKCOJJKZWUYZFS-UHFFFAOYSA-N	290.407	2.540	50	40	CFGB	
CCN(Cc1ccccc1)C[C@@H]1CCN(C(=O)CCl)C1	79414893	CGSGHHYBOGIGIV-HNNXBMFYSA-N	294.826	2.596	50	40	CFGB	
COc1cc(/C=C(\C#N)C(=O)C(C)C)cc2c1OCCO2	44027101	OVXIXRKKRMTLMO-WUXMJOGZSA-N	287.315	2.598	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1	498331	BFFSXMODVQSRMU-MHWRWJLKSA-N	283.287	2.667	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C2\C[C@@H]3C=CC[C@@H]23)c1	8182636	QYTSNTXESMKIDG-WYXLPPDESA-N	284.359	2.750	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1cccs1	5381843	OBYDWASIFLGONR-LFIBNONCSA-N	287.388	2.968	50	40	CFGB	
Cn1cccc1/C=N/NC(=O)C12CC3CC(CC(C3)C1)C2	3909339	CQGYKGGYYJMTGT-WOJGMQOQSA-N	285.391	2.692	50	40	CFGB	
N=C(N)c1cc(Br)ccc1CBr	199794696	JFQQVOHOPFZFOS-UHFFFAOYSA-N	291.974	2.628	50	40	CFGB	
C[C@]12C[C@@H](Br)[C@H](Br)C[C@@]1(C)O2	4973071	ZQEYVDVWGJJBOA-XUTVFYLZSA-N	283.991	2.855	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2	100335332	SETCSWXEUHFLEF-MOSZTMPPSA-N	260.381	2.961	50	40	CFGB	
O=C(NNc1ccccc1)c1cc2ccccc2oc1=O	10039483	GQJLBGXDQVEXKH-UHFFFAOYSA-N	280.283	2.550	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2F)c(O)c1	4543245	DBROLOBKELMMQF-RQZCQDPDSA-N	272.279	2.604	50	40	CFGB	
CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)[C@H](C=O)C1	199793804	GAXCCXCHMZNYFW-QWRGUYRKSA-N	256.418	2.945	50	40	CFGB	
CCOC(=O)c1c(C)csc1NC(=O)[C@H](C)Cl	95939015	ZLAMVNUQRGANAH-ZETCQYMHSA-N	275.757	2.799	50	40	CFGB	
Cc1ccccc1/C=N/NC(=O)c1ccc(F)cc1	13958127	AUSKSWQATKOJSY-LICLKQGHSA-N	256.280	2.898	50	40	CFGB	
C/C(=N\NC(N)=O)[C@](C)(OCC(C)C)c1ccccc1	16943538	VPNNIROKWMPBJI-YSKWHIJTSA-N	277.368	2.619	50	40	CFGB	
CCCCNC[C@H](Br)CBr	3205179	YXRABHQGBHYJQU-SSDOTTSWSA-N	273.012	2.535	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1-c1ccnn1C(C)C	23258428	BYTGLUGQNULMST-RIYZIHGNSA-N	298.346	2.863	50	40	CFGB	
C/C(=N\NC(=O)c1cc(Cl)ccc1O)c1ccco1	13944056	KELMHBUBZKLNRY-OVCLIPMQSA-N	278.695	2.793	50	40	CFGB	
N#C/C=C/CN1CCO[C@H](c2ccc(Cl)cc2)C1	84393633	HEWFUMLGLHFOAP-YUKKFKLSSA-N	262.740	2.793	50	40	CFGB	
CCOC(=O)c1sc(NC(C)C)nc1CCl	20328943	MMBOJMWEZZJYSA-UHFFFAOYSA-N	262.762	2.879	50	40	CFGB	
CCOc1cccc(/C=N/NC(=O)c2ccc(C)o2)c1	408592606	ZSJAZSXXJGCUIY-MHWRWJLKSA-N	272.304	2.751	50	40	CFGB	
O=C(CNC1CCCCC1)N/N=C/c1ccccc1Cl	409386565	MVPYDVRNUSMDBI-VCHYOVAHSA-N	293.798	2.712	50	40	CFGB	
COc1ccc(C(=O)NN)cc1CSc1ccccc1	224320559	SDRNWLUQLSLQFJ-UHFFFAOYSA-N	288.372	2.591	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)CCc1ccccc1	498319	WLWGOMGGXNXJSZ-QGOAFFKASA-N	282.343	2.778	50	40	CFGB	
CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@H]1c1ccco1	1613409	YTJIVKGSQDTZGU-AWEZNQCLSA-N	293.326	2.665	50	40	CFGB	
Cc1ccc(C(=O)NNc2cccc(Cl)c2)n1C	30613629	LERLZFXYKRAGJL-UHFFFAOYSA-N	263.728	2.744	50	40	CFGB	
COC(=O)[C@@H]1[C@H]2CC[C@@]1(C)[C@@]2(C)CBr	218262763	CDSWKWSLJZFMRL-MKHNBGRSSA-N	261.159	2.607	50	40	CFGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cccnc1	5370511	LPHXOOGYFUWTTB-VBEHJTROSA-N	299.399	2.854	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CNc2ccccc2C)cc1	61769	WWJNIVWWJBKIBY-YBFXNURJSA-N	281.359	2.866	50	40	CFGB	
CC(C)c1[nH]nc2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2	4453396	PFRSVCFBLYTWNC-LBPRGKRZSA-N	298.321	2.890	50	40	CFGB	
Cn1cc(/C=C(\C#N)C(=O)N2CCCC2)c2ccccc21	409370770	DKWWQWKUBMWZSX-JLHYYAGUSA-N	279.343	2.708	50	40	CFGB	
Cc1ccc(/C=C/C(=O)N/N=C/c2cccc(O)c2)cc1	409061513	DUFZBIFJKUUXCE-DBJUCQNNSA-N	280.327	2.864	50	40	CFGB	
COC(=O)/C(C#N)=C\c1ccc(-c2ccc(C#N)cc2)o1	252485488	GWMVGRSGXFLXEV-JYRVWZFOSA-N	278.267	2.898	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1Cl)c1ccc[nH]1	57312330	SWJBQCDGHMWEHP-CXUHLZMHSA-N	261.712	2.822	50	40	CFGB	
O=C(N/N=C/c1ccc(F)cc1)Nc1ccccc1	524131	OSBKWEXGZBPLQF-MHWRWJLKSA-N	257.268	2.981	50	40	CFGB	
Cc1c(NC(=O)OCCCl)sc(=S)n1C	16847461	VSCIXTNWYPSOBB-UHFFFAOYSA-N	266.775	2.912	50	40	CFGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)c(O)c(C)c1	6202674	ASOWPXQQVPUEKS-VCHYOVAHSA-N	298.342	2.782	50	40	CFGB	
Cc1cc(NC(=O)/C=C(\O)CCl)n(-c2ccccc2)n1	100437864	AHGZJQYUVRZMIO-WQLSENKSSA-N	291.738	2.800	50	40	CFGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2cc(C)n[nH]2)C1	358686	UDKQCLXIKKZUFK-CDWYDPPVSA-N	272.352	2.736	50	40	CFGB	
N#C/C(=C\c1ccsc1)C(=O)Nc1ccc(O)cc1	563853	GZAHJCKSTZJLGB-YRNVUSSQSA-N	270.313	2.999	50	40	CFGB	
CC[C@H]1CCC/C1=N\NC(=O)CNc1ccccc1OC	12404036	RCCYECOIIWIEJS-DHPZXVACSA-N	289.379	2.789	50	40	CFGB	
O=C(N/N=C1/C[C@@H]2CC[C@@H]1C2)c1ccc(Br)o1	100521895	ROKUKPSEVFONKG-LIDUYEILSA-N	297.152	2.948	50	40	CFGB	
Cc1cc(C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)ccc1[N+](=O)[O-]	5536544	WMVXJPQTXNTPMV-ZUZJPYFPSA-N	285.303	2.585	50	40	CFGB	
CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)[C@@H](C=O)C1	199793846	GAXCCXCHMZNYFW-MNOVXSKESA-N	256.418	2.945	50	40	CFGB	
O=C(CCCCl)NC1C2CC3CC(C2)CC1C3	6293075	FQIBWTHWKQMYPC-UHFFFAOYSA-N	255.789	2.946	50	40	CFGB	
CN1/C(=C(/C#N)C(=O)CCl)Sc2ccccc21	12504736	VERRKXDKAXNOQK-XYOKQWHBSA-N	264.737	2.772	50	40	CFGB	
CCCOc1cccc(NC(=O)CBr)c1	35605102	FPVMNIQROGXLAX-UHFFFAOYSA-N	272.142	2.809	50	40	CFGB	
C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccccc14	3881871	VFUITWPFKLGEQA-UQZDHWHBSA-N	292.382	2.857	50	40	CFGB	biogenic
C/C(=N\NC(=O)Nc1ccccc1)c1cc(O)ccc1O	13321850	VQRUSTXDKSKZJK-LICLKQGHSA-N	285.303	2.644	50	40	CFGB	
COc1ccc(O)c(/C(C)=N/NC(=O)OC(C)(C)C)c1	6674855	QTKXXENOOOOOSS-OQLLNIDSSA-N	280.324	2.650	50	40	CFGB	
CC1=C/C(=N\NC(=O)CNc2ccc(C)cc2)CC1	7009597	MWRQIGXIDMIBMH-VKAVYKQESA-N	257.337	2.619	50	40	CFGB	
CCOC(=O)N/N=C(\C)c1nc2ccccc2s1	7278620	WOQDVMTUWMLUFX-RIYZIHGNSA-N	263.322	2.766	50	40	CFGB	
CCCOc1ccccc1/C=N\NC(=O)c1ccccc1O	34719047	RWKXOJCUWVGBMC-PDGQHHTCSA-N	298.342	2.945	50	40	CFGB	
N#C[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br	71789907	DEEVDUKZMAWCQE-AAVRWANBSA-N	291.192	2.794	50	40	CFGB	
CC(C)CC(=O)NNC(=O)Nc1ccc(Cl)cc1	2734185	YXENQILXHKJLGF-UHFFFAOYSA-N	269.732	2.539	50	40	CFGB	
O=C(NCCCCl)c1ccccc1Br	4689606	DSLPDFUZSKAKRN-UHFFFAOYSA-N	276.561	2.808	50	40	CFGB	
CCn1c(C)cc(/C=N/NC(=O)c2ccccc2OC)c1C	409074808	RWDIPTANCAHOTN-WOJGMQOQSA-N	299.374	2.897	50	40	CFGB	
O=S(=O)(OCCCl)c1ccc(C(F)(F)F)cc1	199759083	YEQVDACBANWWMS-UHFFFAOYSA-N	288.674	2.650	50	40	CFGB	
COc1cccc(N(CC2CC2)C(=O)CCl)c1	199758095	FFQQQJHFZNRFQW-UHFFFAOYSA-N	253.729	2.677	50	40	CFGB	
N#CC(NC(=O)c1cccc(F)c1)=C(Cl)Cl	96346502	USKYOYUQAJIWLF-UHFFFAOYSA-N	259.067	2.726	50	40	CFGB	
O=C(N/N=C/c1ccc(-n2ccnc2)cc1)c1cccs1	4025548	DUCPSMOLLYKPMU-LICLKQGHSA-N	296.355	2.698	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	16215795	YZSVYHGMBYPHSQ-JLHYYAGUSA-N	294.310	2.946	50	40	CFGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(N)=O	101233	SCICCTQWOXUTCQ-YFHOEESVSA-N	272.691	2.992	50	40	CFGB	
Cc1ccsc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	183821	OHSCKUZLJMLENR-GFCCVEGCSA-N	286.356	2.871	50	40	CFGB	
ClCCN(CC#Cc1ccccc1)CCCl	1721415	QUGWASWUOZCHLP-UHFFFAOYSA-N	256.176	2.818	50	40	CFGB	
COP(=O)(CBr)CBr	3982497	HWWUHMWRSRTOQI-UHFFFAOYSA-N	265.869	2.616	50	40	CFGB	
CC[C@H](C)n1c(Cc2ccccc2)ccc1C(=O)NN	226027673	JBBPAFJVPFWGNG-LBPRGKRZSA-N	271.364	2.653	50	40	CFGB	
CC1(C)CC(C(=O)CBr)CC(C)(C)O1	575441348	DXAPDGFCGUDXKM-UHFFFAOYSA-N	263.175	2.934	50	40	CFGB	
C/C(N)=C(\C#N)C(=O)CSCc1ccccc1C	104437686	FKJFUNLRNMAYAM-QBFSEMIESA-N	260.362	2.554	50	40	CFGB	
Cc1cccc(/C=N\NC(=O)Cc2ccc(F)cc2)c1	206783729	LRDZBORIKGMULR-WQRHYEAKSA-N	270.307	2.827	50	40	CFGB	
COc1ccccc1C1CCN(C(=O)CCl)CC1	160349	LRMDIMRHCURYMH-UHFFFAOYSA-N	267.756	2.640	50	40	CFGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1cccs1	138922	YPSWITZYSSEKGU-VGOFMYFVSA-N	280.736	2.871	50	40	CFGB	
BrCCCOc1ccc2c(c1)OCO2	36723974	LZVZRLKAMWQNLU-UHFFFAOYSA-N	259.099	2.579	50	40	CFGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)[C@@H](O)c1ccccc1	6241598	FUVOFRXMGADVHI-XITZSADKSA-N	298.386	2.648	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2ccccc2[C@@H](C)CC1(C)C	223202488	OUEUJBBECLCHNL-WCQYABFASA-N	275.396	2.547	50	40	CFGB	
N=C(NOC(=O)Nc1ccccc1)C(Cl)Cl	255189347	PFPAWXAKDDLQJZ-UHFFFAOYSA-N	262.096	2.521	50	40	CFGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1ccc(O)cc1	257346720	DBDYIVALDDTKPD-ODQSYCQDSA-N	272.348	2.669	50	40	CFGB	
O=C(CCl)NCC1(c2ccc(F)cc2)CCCC1	60273332	YJQVSNWIFJWTLD-UHFFFAOYSA-N	269.747	2.993	50	40	CFGB	in-vitro
CC[C@H](Nc1cccc(C)c1)C(=O)N/N=C/c1ccco1	1001452	NRCBJDNOQNSTPP-VUVCFOEZSA-N	285.347	2.929	50	40	CFGB	
CN1CC=C(c2ccccc2)[C@@H](Br)C1	1726868	ZCVONYFMHZNHRY-LBPRGKRZSA-N	252.155	2.779	50	40	CFGB	
COc1ccc(/C=C/C(=O)N/N=C/c2ccc(F)cc2)cc1	409056411	DNRLDEIRNWPLDH-VIWQMLNCSA-N	298.317	2.998	50	40	CFGB	
O=C(CCl)NCCSCc1ccc(Cl)cc1	4206291	MGPWYCXYSALRKJ-UHFFFAOYSA-N	278.204	2.928	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)cc1O)c1cccc(F)c1	4695835	LKTAWDSDEHDKAY-CAOOACKPSA-N	292.697	2.949	50	40	CFGB	
COc1cc(/C=C(\C#N)c2ccccn2)cc(OC)c1O	4868323	GOHQOVRBUSUOGS-KPKJPENVSA-N	282.299	2.869	50	40	CFGB	
COc1ccc(/C(C)=N\NC(=O)c2cccs2)cc1	4737784	YCVKPUFYXAMCAQ-GDNBJRDFSA-N	274.345	2.911	50	40	CFGB	
N#CC1=C2CCCCN2c2cc(Cl)ccc2S1(=O)=O	67172866	MMQBPKSFKQWMRG-UHFFFAOYSA-N	294.763	2.853	50	40	CFGB	
CC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	44059842	ILCVKHLYGSVRMP-MHWRWJLKSA-N	255.321	2.564	50	40	CFGB	
O=[N+]([O-])c1cc(F)cc(CBr)c1F	95930283	QQMWJFSTVXTYTH-UHFFFAOYSA-N	252.014	2.768	50	40	CFGB	
CCCC(CCC)=NNC(=O)C(=O)NC1CCCCC1	59434278	VSEHFYCRQOXXSI-UHFFFAOYSA-N	281.400	2.508	50	40	CFGB	
CC[C@@H](Br)C(=O)Nc1ccc(C#N)cc1	61487422	NXLVPMYDDCHIID-SNVBAGLBSA-N	267.126	2.670	50	40	CFGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(C)o2)c1	409362220	ILVNRBMDXGQJFH-LICLKQGHSA-N	270.332	2.898	50	40	CFGB	
COc1cc(NC(=O)CBr)cc2occc12	72207467	DVSFHPPBJYQMOQ-UHFFFAOYSA-N	284.109	2.775	50	40	CFGB	
COc1ccc(OC)c(-c2cn(CCl)cn2)c1	199738407	SDRMAKRMHGNBPG-UHFFFAOYSA-N	252.701	2.764	50	40	CFGB	
COC(=O)c1cc(C(F)(F)F)cnc1CBr	95642717	KGLBEAMWUSMNDL-UHFFFAOYSA-N	298.058	2.782	50	40	CFGB	
C/C(CC[C@H]1CCc2ccccc2C1)=N\NC(N)=O	17162557	HFNOOOSSOLEJDC-OOIIIRTPSA-N	259.353	2.616	50	40	CFGB	
O=C(NCCCl)c1cc(Cl)cc(Cl)c1	1667996	GLCMKQCFBHFAPU-UHFFFAOYSA-N	252.528	2.962	50	40	CFGB	
CCCNC(=O)/C(C#N)=C\c1ccc(OC)c(CCl)c1	6854329	OOZMAPKKVMDVKF-JYRVWZFOSA-N	292.766	2.867	50	40	CFGB	
C[C@@H](Oc1ccccc1F)C(=O)NNc1ccc(F)cc1	32796874	NETXYVKUJBIVFX-SNVBAGLBSA-N	292.285	2.875	50	40	CFGB	
CC1=CC[C@H](C(=O)N/N=C/c2ccccc2O)CC1	255189607	RARAHQUTUXNAQH-SEJMYLSOSA-N	258.321	2.589	50	40	CFGB	
CCCc1n[nH]c2c1[C@H](c1ccc(C)cc1)C(C#N)=C(N)O2	51746	PAQWOLAOMAWLFS-CQSZACIVSA-N	294.358	2.889	50	40	CFGB	
O=C(N/N=C/c1ccco1)c1cc2ccccc2o1	528915	ACVNKFNHLGUSKG-OQLLNIDSSA-N	254.245	2.790	50	40	CFGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccccn2)cc1	6389286	YHPQKLMAKAQZEK-WOJGMQOQSA-N	283.331	2.633	50	40	CFGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc(F)c(F)c1	6528896	JHLBXVQCTXOOHC-GIJQJNRQSA-N	275.258	2.514	50	40	CFGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)C1CC1	31648989	GGXCYMHZRPSMHA-NSIKDUERSA-N	257.120	2.854	50	40	CFGB	
CC(C)(C)[Si](C)(C)OCc1ncn2c1CNCC2	306138764	SGPXKEYLXCYBEE-UHFFFAOYSA-N	267.449	2.508	50	40	CFGB	
COc1c(C)cc(C(=O)CBr)cc1C	98210784	XRPNZNMEBXQLPN-UHFFFAOYSA-N	257.127	2.890	50	40	CFGB	
Cn1cccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	205967381	HVOMYJFACDCFAS-XFXZXTDPSA-N	253.261	2.997	50	40	CFGB	
O[C@@H](CCl)CSc1nc2ccccc2s1	114546	XNEVKTZYCWFBFG-ZETCQYMHSA-N	259.783	2.988	50	40	CFGB	
CSc1cc(C(=O)CCl)ccc1NC(C)=O	32625247	VSMOZBFSSHCFPY-UHFFFAOYSA-N	257.742	2.788	50	40	CFGB	in-vitro
CC1=CC[C@@H](C)[C@H]([C@@H]2OC[C@H](COCCCl)O2)C1	6183131	KKPZXFCAFCLUIS-XJFOESAGSA-N	274.788	2.976	50	40	CFGB	
CC(C)=NNC(=O)Cc1c(C)[nH]c2ccc(C)cc12	4680504	QYLAVDVJLFYVLW-UHFFFAOYSA-N	257.337	2.839	50	40	CFGB	
O=C(NNC(=O)C1CCCCC1)c1ccc(F)cc1Cl	9365462	DADJMSGGRXPVHH-UHFFFAOYSA-N	298.745	2.820	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2ccccc2O)cc1C	8182720	VIVRBXDSYWEUDM-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
CCCCNC(=O)/C(C#N)=C\c1ccccc1OCC	27563388	QHTIEAZIZIFIOJ-KAMYIIQDSA-N	272.348	2.909	50	40	CFGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cccc(C)c2)c1	48112	FSPWHJNLZIVVFW-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
O=C(NNc1nc(-c2ccccc2)cs1)C(F)(F)F	1415025	ALLLYMWJRWSPIZ-UHFFFAOYSA-N	287.266	2.816	50	40	CFGB	
O=C(NCCCl)Nc1ccc(OC(F)(F)F)cc1	8729960	INDNESARYZABGU-UHFFFAOYSA-N	282.649	2.946	50	40	CFGB	
CC(C)[C@H](Br)C(=O)N1CCCC[C@@H]1C	19435279	IYZUPJNTPXMFNM-UWVGGRQHSA-N	262.191	2.807	50	40	CFGB	
Cc1ccsc1/C=N\NC(=O)Cc1ccc(F)cc1	36224010	JSMPISRGRPDIJE-SXGWCWSVSA-N	276.336	2.888	50	40	CFGB	
[O-][n+]1ccccc1S[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1Cl	101315294	VPJMOIZJZVYUCD-FSZOTQKASA-N	255.770	2.818	50	40	CFGB	
O=C(N/N=C1\C[C@H]2C=CC[C@H]12)c1ccc2ccccc2n1	20926576	YUGDJJZAHFVESW-MMTAYPJXSA-N	277.327	2.917	50	40	CFGB	
CCCN1CCC(=NNC(=O)[C@H]2C[C@H]2c2ccccc2)CC1	5468412	CSPPEQXRIMOTOX-IRXDYDNUSA-N	299.418	2.768	50	40	CFGB	
CCOC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1F	7697462	ZSEBDGHEJRCHGT-FPLPWBNLSA-N	268.675	2.862	50	40	CFGB	
COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1	408721532	SFTZYWVDOBWCSC-LZSZOYNGSA-N	286.375	2.972	50	40	CFGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccsc1	215554910	REXUJIUYLDLUID-NVNXTCNLSA-N	262.309	2.580	50	40	CFGB	
Cc1ccsc1/C=N\NC(=O)c1cccs1	13115331	FJLQPCRQLSAFGY-GHXNOFRVSA-N	250.348	2.882	50	40	CFGB	
ClC[C@H](Br)[C@@H](Cl)Br	1681468	YFBYCCVSVACJJD-STHAYSLISA-N	270.779	2.949	50	40	CFGB	
O=C(CF)Nc1ccc(N(CCCl)CCCl)cc1	1762984	HTONHMWVXDSAHU-UHFFFAOYSA-N	293.169	2.879	50	40	CFGB	
O=C(N/N=C/c1ccco1)[C@H]1C[C@H]1c1ccccc1	4117910	QFXRPRZJDAYKGA-UDKOXHGFSA-N	254.289	2.533	50	40	CFGB	
COc1cc(N2CCCC2)ccc1C=C(C#N)C#N	809815	BHKQMKQXPWRLTQ-UHFFFAOYSA-N	253.305	2.726	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc(O)cc2)s1	3183677	SURYIGNZDDCFGH-RIYZIHGNSA-N	260.318	2.526	50	40	CFGB	
N#CCC(=O)N/N=C/c1ccc(Sc2ccccc2)o1	1097206	BCRSMBDQTTWXCL-MHWRWJLKSA-N	285.328	2.795	50	40	CFGB	
O=C(N/N=C/C1CCCCC1)c1ccc([N+](=O)[O-])cc1	4474592	WRKTWUQQWLTFQI-XNTDXEJSSA-N	275.308	2.891	50	40	CFGB	
N#Cc1c(NC(=O)CCCl)sc2c1CCC2	5788611	JIYBSBGFFWPWSU-UHFFFAOYSA-N	254.742	2.676	50	40	CFGB	
O=C(CCl)c1cn(-c2cccc(C(F)(F)F)c2)nn1	74942591	FAVVYLJBROZOSS-UHFFFAOYSA-N	289.644	2.708	50	40	CFGB	in-vitro
O=C(CCCC[C@H]1CCSS1)N1C[C@H]2C[C@H]1CO2	374929879	LUYGIKDMIRVAGN-TUAOUCFPSA-N	287.450	2.700	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/[C@@H]2CC=CCC2)cc1[N+](=O)[O-]	369858	PMGFUVOQGYOGDN-HMHNVIDESA-N	287.319	2.975	50	40	CFGB	
O=C(N/N=C/c1ccccc1Cl)[C@H](O)c1ccccc1	3024902	RTUSSZLCHCVLKF-NGWPFTMJSA-N	288.734	2.524	50	40	CFGB	
CCCC(=O)Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	1597257	GQHIYWICVGCZRB-UHFFFAOYSA-N	268.225	2.517	50	40	CFGB	
OCC12C[C@H]3C[C@H](C1)CC(CBr)(C3)C2	102054140	GHYBKLVOEGRUQO-JYBOHDQNSA-N	259.187	2.960	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	45163692	KKPCCTIKFMRLEY-OQLLNIDSSA-N	273.380	2.804	50	40	CFGB	
CC(C)=NNC(=O)[C@H](C)Sc1ccc(C)cc1	409142339	YEMLYAMLADIUNJ-NSHDSACASA-N	250.367	2.988	50	40	CFGB	
C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccnc1	5381935	SBMDXUGNROUQOD-LICLKQGHSA-N	273.723	2.889	50	40	CFGB	
Cn1cccc1/C=N/NC(=O)c1ccccc1-n1cccc1	409100549	UNKVAXMWZHTKPQ-QGOAFFKASA-N	292.342	2.580	50	40	CFGB	
COC(=O)c1cc(Br)oc1CBr	72207403	UDRDKZCLXJYHPY-UHFFFAOYSA-N	297.930	2.724	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)Cc2cccs2)s1	32313370	HDZZIKMAJOYLTC-JYRVWZFOSA-N	264.375	2.811	50	40	CFGB	
O=C(N/N=C/c1ccc(F)s1)C1CCCCC1	252486485	HLUQEFABDIGGHE-RIYZIHGNSA-N	254.330	2.918	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCC2)c(C)n1CC(C)C	98042483	MIHVOEOTZSTORQ-CXUHLZMHSA-N	285.391	2.900	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1cc2c3c(c1)CCCN3CCC2	5160533	KAAPRTWJDNWDGB-LFIBNONCSA-N	296.370	2.855	50	40	CFGB	
Nc1ccc(CC(=O)NN=C2CCCCCC2)cc1	5616358	PNMVCLZLIVJALH-UHFFFAOYSA-N	259.353	2.638	50	40	CFGB	
CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1	5283467	AJIKOOIWVUNRQI-LFIBNONCSA-N	254.289	2.949	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)c(C)c1	5823269	SFIBWOKDJUDWRJ-UHFFFAOYSA-N	286.331	2.588	50	40	CFGB	
CC(=O)OCc1cc(C=C(C#N)C#N)c(C)cc1C	2765758	VMBRTRMGSOSKHT-UHFFFAOYSA-N	254.289	2.797	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCO2	102591712	UVDLSJWAMABVIP-NCOZHZOXSA-N	286.331	2.567	50	40	CFGB	
Cc1ccc(C)c([C@H](C)NC(=O)NCCCl)c1	6486918	KUCYYKWMNDAONM-NSHDSACASA-N	254.761	2.902	50	40	CFGB	
O=C(N/N=C/c1cccn1-c1ccccc1)c1ccccn1	59303480	OCUDQXWHYFPWQN-CPNJWEJPSA-N	290.326	2.636	50	40	CFGB	
Cn1cc(/C=C(\C#N)c2ccccn2)c(-c2ccncc2)n1	66405274	JRPPCEMYJZEFSK-GXDHUFHOSA-N	287.326	2.941	50	40	CFGB	
O=C(N/N=C\c1ccc(O)cc1)Nc1ccccc1	36476346	GNYZNFWQURKGGI-GDNBJRDFSA-N	255.277	2.548	50	40	CFGB	
ClC[C@@H]1CN2Cc3ccccc3-n3cccc3[C@@H]2O1	225377332	DJDGMYSQBZOTRH-DOMZBBRYSA-N	274.751	2.929	50	40	CFGB	
COc1ccc(C(=O)Cl)cc1OC(F)(F)F	91252005	HWYUFLOSGDZCMG-UHFFFAOYSA-N	254.591	2.973	50	40	CFGB	
COc1ccc(OC)c(/C=N/NC(=O)Nc2ccccc2)c1	58822388	RPPYASDXFDTOEI-GZTJUZNOSA-N	299.330	2.859	50	40	CFGB	
CCn1c(C)cc(/C=N\NC(=O)c2cccs2)c1C	409097374	NCEWJRAQZTXDNX-DHDCSXOGSA-N	275.377	2.950	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C(/C)c2ccccn2)cc1	6758813	YGDDFEGPFPNJIJ-PDGQHHTCSA-N	283.331	2.634	50	40	CFGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccncc1	43775881	PMFUUBIYXBDSFI-QGOAFFKASA-N	267.332	2.820	50	40	CFGB	
CC1(C)CC(=O)C/C(=N\NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1	245380046	PPMVTAATPZLMJM-YVVZHDMLSA-N	276.380	2.674	50	40	CFGB	
Cn1cccc1CC(=O)N/N=C\c1c(F)cccc1Cl	5204246	FLIWFSDNUXLHLY-MFOYZWKCSA-N	293.729	2.510	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)c1ccccc1O	43326	RLMUPDBQEVGEGU-RIYZIHGNSA-N	260.318	2.526	50	40	CFGB	
CSc1sc(C)cc1/C=N/NC(=O)c1ccncc1	976581	LLLCRGHIELKFEX-OVCLIPMQSA-N	291.401	2.937	50	40	CFGB	
Cc1cccc(NC(=S)NNC(=O)c2ccoc2C)c1	6631975	CXJXCLCLQJGRPE-UHFFFAOYSA-N	289.360	2.528	50	40	CFGB	
COc1ccccc1OCC(=O)N/N=C/C1CCCCC1	7026619	MOJOKSFJNAFRSQ-GZTJUZNOSA-N	290.363	2.756	50	40	CFGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1	408776579	WGNJRHXHCQIQIN-WOJGMQOQSA-N	296.326	2.684	50	40	CFGB	
CO[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br	95630564	IYPLSDZKBBXDCH-XJFOESAGSA-N	296.208	2.669	50	40	CFGB	
COc1cc(F)c(CBr)cc1[N+](=O)[O-]	97447198	HFAPMAGKJOBUMB-UHFFFAOYSA-N	264.050	2.637	50	40	CFGB	
CN(NC(=O)c1c(F)cccc1F)c1ccccc1	5677771	IIDOWXLSHYOGQY-UHFFFAOYSA-N	262.259	2.746	50	40	CFGB	
Cc1cccc(C(=O)NNC2=CC(=O)CC(C)(C)C2)c1	18188749	KCOWPUZHRSFSPL-UHFFFAOYSA-N	272.348	2.502	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2)cc1OC	4534613	MHSDTUAQEGUKSL-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
COc1ccccc1/C=C(\C#N)C(=O)n1nc(C)cc1C	408979787	SFXXADCHMWGHGM-NTEUORMPSA-N	281.315	2.756	50	40	CFGB	
Cc1ccc(-n2nc(C)c(C(=O)Cl)n2)cc1Cl	45920342	FHLAPIQTKNZTCP-UHFFFAOYSA-N	270.119	2.917	50	40	CFGB	
O=C(CCl)N(Cc1ccccn1)c1ccc(O)cc1	199756330	IPXFBPGJBGIHRF-UHFFFAOYSA-N	276.723	2.559	50	40	CFGB	
Cc1ccc2c(c1)N(C(C)(C)C(=O)NN)C(C)(C)C[C@H]2C	260622297	SSDHGCLISCJNET-GFCCVEGCSA-N	289.423	2.856	50	40	CFGB	
NC(=O)NN=Cc1ccc2c(Br)cccc2c1	13404333	QETGWFMJOYRUNI-UHFFFAOYSA-N	292.136	2.605	50	40	CFGB	
Cc1ccc(-c2ccc(/C=N/NC(N)=O)o2)cc1Cl	6234178	FTSKWSFOELVIEQ-FRKPEAEDSA-N	277.711	2.911	50	40	CFGB	
O=C(CCl)Nc1cccc(NC(=O)c2ccco2)c1	874814	LRGUTHYNAROXTB-UHFFFAOYSA-N	278.695	2.709	50	40	CFGB	
Cc1cccc(OCC(=O)N/N=C/c2sccc2C)c1	584766	BEPMHWFMUNXTFD-CXUHLZMHSA-N	288.372	2.894	50	40	CFGB	
CCCC[C@H](CC)C(=O)NNC(=O)c1cccc(C)c1	1750055	QFLSYQBXOKVKKW-ZDUSSCGKSA-N	276.380	2.972	50	40	CFGB	
CC(C)CCCCNC(=O)[C@H](C)Br	72221196	RZHFPTRZPVHQDT-VIFPVBQESA-N	250.180	2.712	50	40	CFGB	
COc1cc(Br)cc(C(=O)Cl)c1OC	57339944	AOLAYIKZZRFLAN-UHFFFAOYSA-N	279.517	2.845	50	40	CFGB	
NNC(=O)c1ccc(OCc2ccccc2Cl)cc1	216777690	XDZNCBXBCVQQQY-UHFFFAOYSA-N	276.723	2.523	50	40	CFGB	
Cc1cc(C)c(SSc2nnnn2C)c(C)c1	5573028	ZTRCDXYYHICQGI-UHFFFAOYSA-N	266.395	2.935	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1CC(C)C	6456286	FROQNVKNRJPZFT-VXLYETTFSA-N	298.390	2.920	50	40	CFGB	
Cc1ccsc1[C@H]1C(C#N)=C(N)OC2=C1CCCC2=O	125509	WAVNBKKIEGUKJK-GFCCVEGCSA-N	286.356	2.871	50	40	CFGB	
C/C(=N\NC(=O)c1cccs1)c1cc(C)ccc1O	102979973	XEVUXFFOZTVLHS-XNTDXEJSSA-N	274.345	2.916	50	40	CFGB	
CCCNc1nc(CCl)c(C(=O)OCC)s1	12394465	JDUOUTRTOPCFAN-UHFFFAOYSA-N	262.762	2.881	50	40	CFGB	
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1C1CCCCC1	1096839	GGHPCRPPQDVVAR-WOJGMQOQSA-N	286.379	2.974	50	40	CFGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccs2)n1	408978910	OMVATXOZCVLTNK-YRNVUSSQSA-N	257.318	2.809	50	40	CFGB	
Cc1cccc(C(=O)N/N=C\c2ccccc2OCC#N)c1	408870077	VCHQOWAFUXXWMG-UNOMPAQXSA-N	293.326	2.661	50	40	CFGB	
CC(C)=C[C@H]1[C@H](C(=O)NNc2nc(C)cc(C)n2)C1(C)C	65503283	JFAQVSKTJLSZHY-QWHCGFSZSA-N	288.395	2.775	50	40	CFGB	
COC(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	524443	MKJQMUYUMFVWQT-RIYZIHGNSA-N	289.247	2.545	50	40	CFGB	
CCOC(=O)N(/N=C/c1ccccc1)C(=O)OCC	1600603	QJLNDKGIPSPWLO-GXDHUFHOSA-N	264.281	2.636	50	40	CFGB	
C/C(=N\NC(=O)CNc1cccc(Cl)c1C)C1CC1	586242	URJBUDLSJYDMEZ-LICLKQGHSA-N	279.771	2.962	50	40	CFGB	
Cc1ccc(C)n1/C(C#N)=C(\C#N)NC(=O)c1cccs1	1384353	OKKJBOCFFYKGMR-OUKQBFOZSA-N	296.355	2.812	50	40	CFGB	
O=C(O)[C@H](Br)Cc1ccccc1Cl	1667738	BZALCDYHCUTVEO-SSDOTTSWSA-N	263.518	2.731	50	40	CFGB	
CC[C@@H](NC(=O)CBr)c1ccccc1	34436398	YAPHGMLKADNBMD-SNVBAGLBSA-N	256.143	2.649	50	40	CFGB	
N#C/C(=C/c1ccco1)C(=O)NCCCc1ccccc1	409243405	WEUKAWOXECMNTJ-QINSGFPZSA-N	280.327	2.936	50	40	CFGB	
BrCc1nnc2nc(-c3ccccc3)ccn12	72415092	MXWJFAXMIRGTPR-UHFFFAOYSA-N	289.136	2.686	50	40	CFGB	
CCOc1ccc(/C=C(\C#N)C2=NC(=O)CS2)cc1	39379199	BTBZMNMXELFLQA-YRNVUSSQSA-N	272.329	2.664	50	40	CFGB	
C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	5287706	RKVYBNSYDOHBPH-WJDWOHSUSA-N	283.287	2.749	50	40	CFGB	
CC(C)c1[nH]nc2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2	4453376	NWEQXEJYQXDBFR-GFCCVEGCSA-N	298.321	2.890	50	40	CFGB	
COC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccco2)c1C	33431454	CVEHCGSRHSRMIH-XFFZJAGNSA-N	298.298	2.801	50	40	CFGB	
COC(=O)[C@@H](Cl)c1ccc(Br)cc1	50977907	NSGPRRIZASKEEN-QMMMGPOBSA-N	263.518	2.902	50	40	CFGB	
O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccco1	2232815	WAFSNRUAUKQONC-AYRRQIOMSA-N	285.259	2.617	50	40	CFGB	
C/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccc[nH]1	58624781	RHRJYTODRBMWBO-YBFXNURJSA-N	278.315	2.717	50	40	CFGB	
N#CC1=C[C@H](c2ccccc2)C[C@H](N2CCCC2=O)O1	4267406	HRZGCSGSLSOLQZ-XJKSGUPXSA-N	268.316	2.546	50	40	CFGB	biogenic
CCCCCCC1C(C#N)=C(N)SC(N)=C1C#N	21642506	OIXQEPXBWKKJQW-UHFFFAOYSA-N	262.382	2.708	50	40	CFGB	
CCCN1CCC(=NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1	5468400	CSPPEQXRIMOTOX-IAGOWNOFSA-N	299.418	2.768	50	40	CFGB	
C/C(=N/NC(=O)Cc1ccc(C)cc1)c1ccccc1O	408737390	OFRPKHHCRMDOAB-AQTBWJFISA-N	282.343	2.784	50	40	CFGB	
CCCCNC(=O)/C(C#N)=C/c1nc(CC)n2ccccc12	96035441	LHZXYQCENIMNTC-ACCUITESSA-N	296.374	2.720	50	40	CFGB	
CCCCCCC(=O)NNC(=O)Nc1ccccc1OC	17023230	FBCHMXRIYVXYSB-UHFFFAOYSA-N	293.367	2.818	50	40	CFGB	
OB(O)c1ccc(-c2cccc3c2oc2ccccc23)cc1	202804573	HTLGYFDJCNSTIC-UHFFFAOYSA-N	288.111	2.933	50	40	CFGB	
C[C@H](/C=N/NC(=O)c1ccncc1)c1ccccc1	5531265	FWEDGCOLIDBJGV-PBSOMRJOSA-N	253.305	2.601	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)[C@H]1C[C@H]2CC[C@H]1C2	105395303	FENJDODVLIIMQQ-QJLVKKIYSA-N	272.348	2.934	50	40	CFGB	
COc1ccc(/C=N\NC(=O)c2cc(C)oc2C)cc1	30732454	WYQPUWNVPXTVGL-SXGWCWSVSA-N	272.304	2.669	50	40	CFGB	
C[N+](C)(CC#Cc1ccccc1)CCBr	330679	PJSDSVRPRMPWCL-UHFFFAOYSA-N	267.190	2.509	50	40	CFGB	
N#CC(C#N)=Cc1cccn1-c1cccc([N+](=O)[O-])c1	2766554	ABHQAXPXRIBOEY-UHFFFAOYSA-N	264.244	2.816	50	40	CFGB	
N#C[C@@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br	101953497	DEEVDUKZMAWCQE-RFQIPJPRSA-N	291.192	2.794	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)N(C)C)ccc1N1CCCC1	59105051	OPZWIBRNISFRBJ-RVDMUPIBSA-N	283.375	2.590	50	40	CFGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)n1	408975380	AWIYVHPIADRUCE-NTUHNPAUSA-N	296.286	2.656	50	40	CFGB	
CCCC/C(C)=N/NC(=O)c1c(C)nc2ccccn12	5695875	ITKFLPYUYVABPN-GZTJUZNOSA-N	272.352	2.939	50	40	CFGB	
NNC(=O)c1ccc(CNc2cccc(C(F)(F)F)c2)o1	40175890	KDYAOPCHZGKQDM-UHFFFAOYSA-N	299.252	2.514	50	40	CFGB	
NCc1cc(Br)ccc1CBr	199524177	ANUWBSSLCMJHBC-UHFFFAOYSA-N	278.975	2.803	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1ccc(Cl)cc1	100328986	NTWSIYWETNCLJO-CMDGGOBGSA-N	250.685	2.722	50	40	CFGB	
O=C1c2cc(Br)ccc2O[C@@H]1Br	103571360	YZKZJKSZDMKFLV-QMMMGPOBSA-N	291.926	2.745	50	40	CFGB	
Cc1cccc(C)c1C[C@@H](Br)C(=O)O	107843360	XGBYIOKPGOMEDN-SNVBAGLBSA-N	257.127	2.694	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1	33303464	NHTUKZWHFKNJDS-ATVHPVEESA-N	252.317	2.688	50	40	CFGB	
C[C@@H](C(=O)NN)N1c2cc(Cl)ccc2[C@H](C)CC1(C)C	260725446	WLTBIEFSLSHBTB-ZJUUUORDSA-N	295.814	2.811	50	40	CFGB	
CO[C@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br	100295814	IYPLSDZKBBXDCH-XDQVBPFNSA-N	296.208	2.669	50	40	CFGB	
C[C@H](Cl)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2	4077298	KGQSNMLRFSCDBB-ZETCQYMHSA-N	287.816	2.951	50	40	CFGB	
CCOC(=O)N/N=C(\C)c1ccc(Br)s1	5473041	FMEGLQYABJTWGZ-IZZDOVSWSA-N	291.170	2.981	50	40	CFGB	
CC(C)CC(=O)N[C@@H](N=C=S)C(Cl)(Cl)Cl	3130673	VWWSUMJBPCAJQZ-SSDOTTSWSA-N	289.615	2.948	50	40	CFGB	
N#C/C(=C\c1cccc(O)c1)C(=O)NCc1ccccc1	2743009	ARCYEXKYWISDAP-OQLLNIDSSA-N	278.311	2.616	50	40	CFGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cccc(O)c1	33574103	YJUPDVAOGVPEBO-NKAWFHAUSA-N	284.359	2.994	50	40	CFGB	
O=C(NN=C1CCCCCCC1)C(=O)Nc1ccccc1	59515717	DSMHMEQEZZNXCH-UHFFFAOYSA-N	287.363	2.842	50	40	CFGB	
COc1cc(C(=O)CBr)ccc1OC(F)F	3357014	WIDVLGSAZFBORY-UHFFFAOYSA-N	295.079	2.874	50	40	CFGB	in-vitro
N#C/C(=C/c1ccoc1)C(=O)Nc1ccc(O)cc1	34688201	BGHWDOZUZGMBOA-XFFZJAGNSA-N	254.245	2.531	50	40	CFGB	
C=CCOc1cccc(/C=N/NC(=O)CC(C)C)c1	3663939	UWBPGZJAJQNXGJ-LFIBNONCSA-N	260.337	2.748	50	40	CFGB	
O=C(Cc1cccs1)N/N=C/C1=Cc2ccccc2OC1	409204092	AWZGHSQBGPMWTC-LICLKQGHSA-N	298.367	2.869	50	40	CFGB	
COc1ccccc1N(CCC#N)C(=O)[C@H](C)Cl	39946630	UYWHOLBFYDFNAA-JTQLQIEISA-N	266.728	2.569	50	40	CFGB	in-vitro
C[C@H]1[C@H]2C[C@H]([C@H](Br)C23OCCO3)C1(C)C	35188493	MBWIJPYDHZDSFW-JLIMGVALSA-N	275.186	2.805	50	40	CFGB	
F[C@H](C(F)(F)F)C(F)(F)OCCBr	1083806991	MUYMCSYITWCIDS-GSVOUGTGSA-N	274.986	2.891	50	40	CFGB	
CN(C)/C=C(/C=O)Oc1c(Cl)cccc1Cl	163033	UUODUXLKNLHFSX-VURMDHGXSA-N	260.120	2.974	50	40	CFGB	
COc1c(F)cc(CBr)cc1[N+](=O)[O-]	146085246	SGNLXDILSZDRLN-UHFFFAOYSA-N	264.050	2.637	50	40	CFGB	
CC/C(=N\NC(=O)c1ccccc1)c1ccc(O)cc1	12587789	SUZPFFFUEIWLIN-BMRADRMJSA-N	268.316	2.936	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1	8371684	GTRZDKHNNIZXDM-PUMYGXPMSA-N	277.327	2.753	50	40	CFGB	
CC[N+](C)(C)C[C@@H](Br)[C@@H](C)Br	28135	YXIPKWBUPAZNIX-HTQZYQBOSA-N	288.047	2.630	50	40	CFGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1	568837	JBRZZLOBDNRGAF-UHFFFAOYSA-N	288.734	2.723	50	40	CFGB	
Cc1cc(C(=O)N/N=C2/CC(=O)c3ccccc32)c(C)o1	103452661	VXSWHWBBHNVSRX-VKAVYKQESA-N	282.299	2.617	50	40	CFGB	
CC/C(=N\NC(=O)c1ccccc1O)c1ccccc1	12403574	SEHAKQHGFNRJHZ-SAPNQHFASA-N	268.316	2.936	50	40	CFGB	
CCCCCOc1ccc(/C=N/NC(=O)OC)cc1	3574888	WUGWASJSGSCAGS-RVDMUPIBSA-N	264.325	2.946	50	40	CFGB	
N#C/C(=C\c1ccc(O)cc1)c1nnc2n1CCCCC2	13302949	GYAVTZXZYGOCBX-JLHYYAGUSA-N	280.331	2.774	50	40	CFGB	
CC(C)(C)OC(=O)NC1(CBr)CCC1	129766946	SEVGFROLOMIPPL-UHFFFAOYSA-N	264.163	2.829	50	40	CFGB	
COC(=O)c1ccc(OCCBr)c(Cl)c1	71790373	KCXJTYFMIJPMIC-UHFFFAOYSA-N	293.544	2.900	50	40	CFGB	
O=C(OCCCl)c1snnc1-c1ccccc1	223832558	GGFCBOCQMINZJK-UHFFFAOYSA-N	268.725	2.601	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1	303061	LJWSCHIRMKEEEE-ZRDIBKRKSA-N	274.320	2.740	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)ccc2O)cc1	437624	RZQPUDXLGAPEAF-VXLYETTFSA-N	297.358	2.571	50	40	CFGB	
CN(C)c1ccc(/C=C2/C(=O)OC(=O)c3ccccc32)cc1	100478236	UAISOHSJGIBKRC-LFIBNONCSA-N	293.322	2.990	50	40	CFGB	
CO[C@@]1(C)C[C@H](NC(=O)/C(C#N)=C\c2ccco2)C1(C)C	73274797	SKWWHHNAFBBZPP-JLFXFPADSA-N	288.347	2.506	50	40	CFGB	
CC(C)(C)N(CCCCI)C(=O)O	1772717828	TTZLWWIUMNRQIE-UHFFFAOYSA-N	299.152	2.980	50	40	CFGB	
COc1cc2c(cc1OC)C(=O)[C@@H](Br)CC2	6403789	LNZYJVLBKAJRTB-VIFPVBQESA-N	285.137	2.596	50	40	CFGB	
Cc1c(C(=O)NNC(=O)CC(C)C)oc2ccccc12	6929172	LCNHIVLBUGCNGL-UHFFFAOYSA-N	274.320	2.548	50	40	CFGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)N(C)C)cc1	59333597	SSGWBCQBADRBOH-KAMYIIQDSA-N	271.364	2.528	50	40	CFGB	
CCOC(=O)N/N=C/c1ccccc1C(F)(F)F	3232927	FGIGWIMWDMFDRX-VIZOYTHASA-N	260.215	2.785	50	40	CFGB	
Cc1ccccc1COc1ccc(/C=N/NC(N)=O)cc1	41214122	FFEPJFHCKLWSNK-VCHYOVAHSA-N	283.331	2.576	50	40	CFGB	
O=C(Cl)c1n[nH]c2cccc(Br)c12	89195829	CYKKEYFPZIAUNH-UHFFFAOYSA-N	259.490	2.704	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1	5916980	HHDYTLZRTTYXIY-OKDSCXFJSA-N	284.359	2.552	50	40	CFGB	
O=C(CCc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	253449	QEWNXMRMLCQKDU-SFQUDFHCSA-N	297.314	2.678	50	40	CFGB	
CCOc1ccc(/C=N\NC(=O)Cc2cccs2)cc1	30735205	MWUOOTBOZAPXJU-WJDWOHSUSA-N	288.372	2.840	50	40	CFGB	
C=CCOC(=O)Oc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	1688226	ULYHEGJXVGGHBC-UHFFFAOYSA-N	282.208	2.513	50	40	CFGB	
O[C@H](CCl)CNC(c1ccccc1)c1ccccc1	34437006	PHDKURQHOBPQTI-OAHLLOKOSA-N	275.779	2.965	50	40	CFGB	in-vitro
COc1nc(Br)ccc1CBr	307266935	HQACUBMLFCWGJH-UHFFFAOYSA-N	280.947	2.748	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1CC(C)C	6608148	JLWXJQLSRWVAJR-VXLYETTFSA-N	298.390	2.920	50	40	CFGB	
O=C(NNC(=O)c1cc(Cl)ccc1F)c1ccccc1	7239627	SSMBSVDSJGUWKB-UHFFFAOYSA-N	292.697	2.554	50	40	CFGB	
Cc1ccc2c(c1)C[C@@H](CI)O2	85539401	OGCWOTDNVJYLQL-VIFPVBQESA-N	274.101	2.734	50	40	CFGB	
C[C@H]1C[C@@H](C)N[P@@](=O)(N(CCCl)CCCl)O1	5574689	JXQRSUNWPFQCPR-GLSBUQGYSA-N	289.143	2.661	50	40	CFGB	
CCC(=O)N/N=C(\C)CC(=O)Nc1cccc(Cl)c1C	4402061	SFAZKTCLMNHVBA-RQZCQDPDSA-N	295.770	2.879	50	40	CFGB	
CC(/C=C/c1ccccc1)=N/NC(=O)c1ccncc1	4705983	COSOIDVYPRKBNX-JZYRRUABSA-N	265.316	2.901	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H]1CCCO1	564382	LQNIZMSMUZSKBG-BXRZMRDGSA-N	287.146	2.623	50	40	CFGB	
CCOc1ccc([N+](=O)[O-])cc1CBr	35415079	KTOMZFKDXSUKTB-UHFFFAOYSA-N	260.087	2.888	50	40	CFGB	
COc1cc2c(cc1/C=C(\C#N)C(=O)NC1CC1)CCCC2	409206264	SFLCECVRCAQSQY-OQLLNIDSSA-N	296.370	2.760	50	40	CFGB	
C[C@@H](I)C(=O)Nc1ccc(F)cc1	72226318	XRRGEISPJMNHRO-ZCFIWIBFSA-N	293.079	2.588	50	40	CFGB	
CCOC(OCC)C(Br)Br	85951437	VPSWMEFJDCZIAC-UHFFFAOYSA-N	275.968	2.501	50	40	CFGB	in-vitro
CC1(C)CC(=O)C=C(NNC(=O)c2cccc(Cl)c2)C1	12402054	UIBQETMGDHWNRK-UHFFFAOYSA-N	292.766	2.847	50	40	CFGB	
CC(C)[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N	19853033	IPBJODKCMRZNDM-TZMCWYRMSA-N	266.348	2.769	50	40	CFGB	
Cc1ccccc1C(=O)N/N=C1\CC(=O)CC(C)(C)C1	100004510	JNNZBOHYWFDFBB-SFQUDFHCSA-N	272.348	2.860	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)[C@H](C)Nc2ccccc2C)n1	235098	YLPLYCUDPAKCML-BGARDKSCSA-N	296.374	2.649	50	40	CFGB	
CN(C)C(/C=C/Nc1ccc(F)cc1F)=C(C#N)C#N	100913230	IAIMVYIWXWGOKK-AATRIKPKSA-N	274.274	2.753	50	40	CFGB	
CCN(CC)OP(=O)(Cl)ON(CC)CC	100023954	PHOOJCFHNBCORF-UHFFFAOYSA-N	258.686	2.880	50	40	CFGB	
CC(C)[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21	4042590	PROKFSALDCVDPF-SECBINFHSA-N	260.341	2.533	50	40	CFGB	
CCOc1ccc(NC(=O)CCBr)cc1	4739119	UIMXRRUAPWUMTQ-UHFFFAOYSA-N	272.142	2.809	50	40	CFGB	
CC(C)=NNC(=O)CSCc1ccccc1C	408784664	VVEHRPLMGQXOSH-UHFFFAOYSA-N	250.367	2.740	50	40	CFGB	
ClCc1nnc2c(Cl)nc3ccccc3n12	72422453	QIEDKPUXEVXKTQ-UHFFFAOYSA-N	253.092	2.670	50	40	CFGB	
CC(=O)Nc1ccc(S(=O)(=O)SC(F)(F)F)cc1	1721005	SODJGMNBEJIMGB-UHFFFAOYSA-N	299.295	2.587	50	40	CFGB	
NNC(=O)CCSCc1c(Cl)cccc1Cl	17008047	SNQXUCYZIOQIOU-UHFFFAOYSA-N	279.192	2.607	50	40	CFGB	
O=C(NNc1cccc(Cl)n1)c1cccnc1Cl	984125	CEBPUXJJFPTEII-UHFFFAOYSA-N	283.118	2.540	50	40	CFGB	
CC1=C2CC[C@H](C)CC2=C(C#N)C(=C(C#N)C#N)N1	102413708	WFXFMOYZGYMMKU-VIFPVBQESA-N	250.305	2.805	50	40	CFGB	
CCCCC(=O)[C@@H]1C(=O)[C@@H](Cl)C(C)(C)[C@@H](Cl)C1=O	254813580	UKAAYCSISHDROO-VTYGSRLXSA-N	293.190	2.755	50	40	CFGB	
NNC(=O)CCCCCCCCCCN1CCCCC1	4589375	UWYAEBRJKGOXHV-UHFFFAOYSA-N	283.460	2.973	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2O)s1	493595	VQSUDYFZXNCJGR-RIYZIHGNSA-N	260.318	2.526	50	40	CFGB	
O=C1OC(=O)C2=C1C1c3ccccc3C2c2ccccc21	104336738	QJHKAOSKFASRQJ-UHFFFAOYSA-N	274.275	2.657	50	40	CFGB	
CCCC/C(C)=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	5792136	UHDNFNKZRAFOII-RVDMUPIBSA-N	277.324	2.820	50	40	CFGB	
Cc1cccc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1	6645989	IFZXDIZFMDVVBZ-HZPDHXFCSA-N	294.354	2.560	50	40	CFGB	
BrCCOCc1nc(C2CC2)cs1	96528167	GSTGGBFLBIHNKF-UHFFFAOYSA-N	262.172	2.932	50	40	CFGB	
COc1cc([N+](=O)[O-])c(F)cc1CBr	575440580	UCCGYQPNXXLGDK-UHFFFAOYSA-N	264.050	2.637	50	40	CFGB	
CC(C)CC(=O)N/N=C/c1c(F)cccc1Cl	5726963	BJPQRSFQQCPIJZ-VIZOYTHASA-N	256.708	2.975	50	40	CFGB	
N#C/C(=C/c1ccco1)S(=O)(=O)c1ccccc1	6133397	YWXDPDDOBFAFNR-LCYFTJDESA-N	259.286	2.618	50	40	CFGB	
COP(=S)(OC)Oc1noc2ccccc12	5720078	WAXINMOTFOPECP-UHFFFAOYSA-N	259.223	2.724	50	40	CFGB	
CO[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br	2556252	IYPLSDZKBBXDCH-ZOBORPQBSA-N	296.208	2.669	50	40	CFGB	
COC(=O)c1c(NCC(=O)Cl)sc2c1CCCC2	3308338	NWPSVMSBICATJY-UHFFFAOYSA-N	287.768	2.591	50	40	CFGB	
O=C(Cl)C[C@H](NC(=O)C(F)(F)F)c1ccccc1	36458113	QJUXCDJANGCSQU-QMMMGPOBSA-N	279.645	2.562	50	40	CFGB	
CC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cccn2C)c1C	6646364	VAPMJQWVKWTNCG-MDWZMJQESA-N	295.342	2.963	50	40	CFGB	
C[Si](O[Si](C)O[Si](C)(C)C)O[Si](C)(C)C	195814899	OHSYWAVRSCQMHG-UHFFFAOYSA-N	280.621	2.942	50	40	CFGB	
C/C(=N\NC(=O)C(F)(F)F)c1ccc(Cl)s1	13465307	HSSBTNSICKHXPG-YIXHJXPBSA-N	270.663	2.804	50	40	CFGB	
O=C1Nc2cccc3cc(NC[C@H](O)CCCl)cc1c23	17428829	ZPLAYAIRJGXXIO-LLVKDONJSA-N	290.750	2.807	50	40	CFGB	
N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccco2)NC1=O	106769	LGQVQRZPJCQBQV-ZDUSSCGKSA-N	297.339	2.580	50	40	CFGB	
C[C@@H](/C=N/NC(=O)c1cc(O)ccc1O)c1ccccc1	17009170	ASJZDIBCGHSCGO-MUOOZZNISA-N	284.315	2.617	50	40	CFGB	
CC(C)(C)[C@H]1CCc2sc(C(=O)NN)cc2C1	2654618	ZDLDYLFPNXWQJY-VIFPVBQESA-N	252.383	2.503	50	40	CFGB	
O=C(O)[C@H](c1ccccc1)[C@@](O)(CCl)c1ccccc1	1593511	PQOAUXGNUMAXPW-GOEBONIOSA-N	290.746	2.981	50	40	CFGB	
Cc1ccc(COc2cccc(/C=N/NC(N)=O)c2)cc1	478826	ZCXDPNORBGYGSR-VCHYOVAHSA-N	283.331	2.576	50	40	CFGB	
COC(=O)[C@@H](Cl)c1cc(Br)ccc1OC	50978042	CQDIBJMDPUYDSI-VIFPVBQESA-N	293.544	2.911	50	40	CFGB	
N#C/C(N)=C(C#N)/N=C/c1ccc(Cl)cc1Cl	100004425	URBKTPMIMOJNPL-JWUWQZCUSA-N	265.103	2.630	50	40	CFGB	
C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)CCCCl	37842511	RGGVYGFNKHSQTE-SNVBAGLBSA-N	293.791	2.777	50	40	CFGB	
CCc1ccc2c(c1)C[C@@H](CI)O2	218736054	DFUKHSRBWSMVQN-JTQLQIEISA-N	288.128	2.988	50	40	CFGB	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCc1ccccc1	35058608	KMBZUPCSVXOYNT-VBKFSLOCSA-N	292.338	2.658	50	40	CFGB	
C[C@@H]1C(C)(C)[C@]23C[C@]12C1(OCCO1)[C@@H]3Br	73371006	GAVFTOXAFOGPIF-DEKFOEGESA-N	273.170	2.559	50	40	CFGB	
CC[C@@H](C)n1c(Cc2ccccc2)ccc1C(=O)NN	226027666	JBBPAFJVPFWGNG-GFCCVEGCSA-N	271.364	2.653	50	40	CFGB	
CCCCC(=O)N/N=C(\CCC(=O)O)c1ccccc1	5457655	TUWLNVFXTIEESE-DTQAZKPQSA-N	276.336	2.562	50	40	CFGB	
BrCC[C@H](Br)[n+]1ccccc1	28131	FZAFAXMPMASUCX-MRVPVSSYSA-N	279.983	2.653	50	40	CFGB	
CC1(C)[C@@H]2CC[C@]1(CI)OC(=O)C2	100746481	MSQROIFTGJCYJT-GMSGAONNSA-N	294.132	2.543	50	40	CFGB	
O=C(CC1CCCC1)NNC(=O)c1c[nH]c2ccccc12	22597254	ROLOONLAQDCUES-UHFFFAOYSA-N	285.347	2.509	50	40	CFGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(F)cc1	408750003	WCKLJJRSISDRLA-VCHYOVAHSA-N	286.306	2.907	50	40	CFGB	
COc1ccc(NC(=O)CCl)cc1N1CCCCC1	34776703	MUVIBFDDKCBFBY-UHFFFAOYSA-N	282.771	2.863	50	40	CFGB	
O=C(N/N=C\c1cccn1-c1ccc(O)cc1)c1ccco1	33918906	GGPOFXLOHAWJPT-BOPFTXTBSA-N	295.298	2.540	50	40	CFGB	
N#CSCN1CCc2cc(Br)ccc21	226096364	JVWACBXZJWWRMW-UHFFFAOYSA-N	269.167	2.983	50	40	CFGB	
Cc1occc1C(=O)N/N=C\c1c[nH]c2ccccc12	43729984	VXMQWBRDIZCABQ-MFOYZWKCSA-N	267.288	2.833	50	40	CFGB	
N=C(CCl)NCCOC12CC3CC(CC(C3)C1)C2	1733111	XEDAQQQCCJCOCH-UHFFFAOYSA-N	270.804	2.777	50	40	CFGB	
C[C@@]12CC[C@H](CC13OCCO3)[C@@]2(C)CBr	100015349	ZFQSVMJONXGVIO-MXWKQRLJSA-N	275.186	2.951	50	40	CFGB	
Cc1ccccc1C(=O)NNC(=O)c1c[nH]c2ccccc12	12760126	ICAUYMFMODZDHD-UHFFFAOYSA-N	293.326	2.551	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1O	20787068	JMKONSVCABDJLW-UKTHLTGXSA-N	294.310	2.946	50	40	CFGB	
Fc1nc(CBr)ccc1Br	217885459	MYHWQQCUNSOUSV-UHFFFAOYSA-N	268.911	2.878	50	40	CFGB	
Cc1csc(C(=O)NNC(=O)c2cc(C)cs2)c1	4280937	BVGVCPCYEJMFLW-UHFFFAOYSA-N	280.374	2.501	50	40	CFGB	biogenic
COc1ccc(/C=C/C(C)=N\NC(=O)c2ccncc2)cc1	5412275	TUSBBRJQHKILME-SHHRFMCFSA-N	295.342	2.909	50	40	CFGB	
Cc1ccsc1/C=C(/C#N)C(=O)N1CCCCC1	26533208	WERRLFMDQKOXEH-XFXZXTDPSA-N	260.362	2.976	50	40	CFGB	
N#CC(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCOCC1	5671461	YGZAQDUJIPTLAE-SOFYXZRVSA-N	299.761	2.987	50	40	CFGB	
CC(C)OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1	7208299	XFQLEQABTLOBOR-UKTHLTGXSA-N	258.321	2.611	50	40	CFGB	
CCC(CC)[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21	96336910	KQFQGCIMMWCKAR-AWEZNQCLSA-N	258.321	2.998	50	40	CFGB	
CN1CC=C(c2ccccc2)[C@H](Br)C1	5069088	ZCVONYFMHZNHRY-GFCCVEGCSA-N	252.155	2.779	50	40	CFGB	
CC(=N\O)/C(C)=N/NC(=O)Cc1cccc2ccccc12	19143685	NOYQZQPPOWQOHX-UCXDMDGBSA-N	283.331	2.725	50	40	CFGB	
COc1ccccc1/C=C/C=N/NC(=O)c1ccccc1O	6675232	ZXACBRLXVGFXSF-HIOLSYOPSA-N	296.326	2.830	50	40	CFGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2O)cc1	5475364	WBCZUZDLSAQFNE-LDADJPATSA-N	298.342	2.945	50	40	CFGB	
CCOC(=O)C(CC)(CCCCl)C(=O)OCC	2565110	PVSVOHZYIOZHHS-UHFFFAOYSA-N	264.749	2.528	50	40	CFGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1	71049	PKWQOVYGKKHKON-INIZCTEOSA-N	294.310	2.619	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1OC	493635	XTWLAKUXCZSVKH-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)N1CCCC1	193407987	RBDUBQDIEHPYKV-YRNVUSSQSA-N	276.723	2.575	50	40	CFGB	
CCCOc1ccccc1/C=N\NC(=O)c1ccco1	83331549	UQPPCBQLAVAAKK-WJDWOHSUSA-N	272.304	2.832	50	40	CFGB	
CCC/C=N/NC(=O)c1ccccc1Br	5296961	YRJYHKMHNAQRMR-MDWZMJQESA-N	269.142	2.965	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1	57786886	GDUOIKGCPJJSIP-WOJGMQOQSA-N	263.300	2.631	50	40	CFGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(O)c2)c1	3307706	RFNKJEXWWVHEJU-MDWZMJQESA-N	294.310	2.946	50	40	CFGB	
N#C/C(=C\c1ccccc1F)C(=O)NC1CCCC1	14178356	SGJNLFLKUBHJQG-FMIVXFBMSA-N	258.296	2.791	50	40	CFGB	
CN(NC(=O)NCCc1ccc(F)cc1)c1ccccc1	40058092	ITAURWPRRHUWRT-UHFFFAOYSA-N	287.338	2.719	50	40	CFGB	
O=C(c1ccc(F)cc1)N1CCCC[C@@H](Cl)C1=O	1465941	ZDZPKOJQLFUYSO-LLVKDONJSA-N	269.703	2.586	50	40	CFGB	
C[C@@H](CC=O)P(=O)(c1ccccc1)c1ccccc1	104151876	QDHOBIDEDVSVGH-AWEZNQCLSA-N	272.284	2.978	50	40	CFGB	
N#CC(NC(=O)c1ccccc1F)=C(Cl)Cl	27662456	BCXCITZSYPYDBC-UHFFFAOYSA-N	259.067	2.726	50	40	CFGB	
O=C(COc1ccc(F)cc1F)NNc1ccc(F)cc1	32796876	IDIHPNFQNZOQGI-UHFFFAOYSA-N	296.248	2.626	50	40	CFGB	
Cc1ccc(N[C@H]2SC(=O)N(CCCl)C2=O)cc1	12113043	SJDSMAJEXKCQLT-JTQLQIEISA-N	284.768	2.667	50	40	CFGB	
COC(=O)[C@@H](Cl)c1ccccc1Br	50978016	WZYLIRVBGHOEBU-QMMMGPOBSA-N	263.518	2.902	50	40	CFGB	
CC(C)C(=O)N/N=C\c1c(O)ccc2ccccc12	58885430	SRGOQLBSJXDFTE-SXGWCWSVSA-N	256.305	2.652	50	40	CFGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2ccccc2s1	3885665	IULSXHVDYYUMKC-HJWRWDBZSA-N	289.385	2.714	50	40	CFGB	
COc1ccc(CCCC(=O)NN=Cc2ccco2)cc1	245380310	WAWFISNKDHNLBD-UHFFFAOYSA-N	286.331	2.761	50	40	CFGB	
Cc1cccc(C)c1NNC(=O)c1ccccc1N	255189719	RPYOVWVLGMCKNL-UHFFFAOYSA-N	255.321	2.643	50	40	CFGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)O	2250331	FUEYSDHHKOGPOJ-YRNVUSSQSA-N	283.239	2.636	50	40	CFGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccnc1	5362383	LPHXOOGYFUWTTB-FHXOWUIVSA-N	299.399	2.854	50	40	CFGB	
CCOc1ccccc1/C=N/NC(=O)c1ccccc1OC	5475979	OJTKADCGMZPDFX-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
C[C@@H]1[C@H]2C[C@@H](C/C2=N\NC(=O)c2ccncc2)C1(C)C	100382670	IOTDVNRGAXIZDI-MXVJGDIZSA-N	271.364	2.870	50	40	CFGB	
COC(=O)/C(C#N)=C(\O)Nc1cccc(C(F)(F)F)c1	100683194	MCBORUGFTBBQED-KTKRTIGZSA-N	286.209	2.583	50	40	CFGB	
CC(C)(C)C1=C(C#N)[C@@H](c2cccnc2)C(C#N)=C(N)O1	86797	HCMFSJBNIXNKEC-CYBMUJFWSA-N	280.331	2.713	50	40	CFGB	
O=C(O)[C@@H](Br)[C@H](Cl)c1ccccc1	1685704	WWFTTYIPIVLPFP-JGVFFNPUSA-N	263.518	2.815	50	40	CFGB	
CC(C)C(=O)NNC1=C(C(=O)C(F)(F)F)CCCCC1	59489007	ZXDCSAZUCDGNLU-UHFFFAOYSA-N	292.301	2.613	50	40	CFGB	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(N)=O)c1C	28605725	IWKZOAKXCRVFEK-OQLLNIDSSA-N	279.343	2.795	50	40	CFGB	
N#C[C@@H](C(=O)N/N=C/c1cccs1)c1ccccc1	409205269	GVVRHDSHVNFRSL-BVTUPMQUSA-N	269.329	2.506	50	40	CFGB	
COc1cc(Cl)cc(C(=O)CBr)c1	98210704	MHVCOQRISSFZNK-UHFFFAOYSA-N	263.518	2.926	50	40	CFGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1C	16268216	PZOKOYQUFXRKIZ-YVLHZVERSA-N	293.370	2.865	50	40	CFGB	
COCCOC(=O)/C(C#N)=C/c1cc(C)n(C2CC2)c1C	24100181	JOQXBIBWIVFXAT-NTEUORMPSA-N	288.347	2.536	50	40	CFGB	
O=S(=O)(c1ccccc1)[C@@H]1C=CC=C[C@@H](Cl)C1	339745	YZNVVEYZHQOPGD-DGCLKSJQSA-N	268.765	2.952	50	40	CFGB	
COC(=O)c1ccc(CCCBr)cc1	34487015	VMHPVAWXMHRICK-UHFFFAOYSA-N	257.127	2.801	50	40	CFGB	
O=C(CCl)NCc1cc(-c2ccc(Cl)cc2)no1	1389584	UQMGWSHJWYKFGS-UHFFFAOYSA-N	285.130	2.850	50	40	CFGB	
C[C@]12C(=O)OC(=O)[C@H]1C1c3ccccc3C2c2ccccc21	103570716	YFHAQHCIPCPOBW-YBSITQRDSA-N	290.318	2.983	50	40	CFGB	
CC[C@]1(c2ccccc2)CCCC/C1=N/NC(N)=O	16951791	ZZBXPPYFVYWOJM-WIZMWCRPSA-N	259.353	2.933	50	40	CFGB	
CCc1cccc2c(/C=C(/C#N)C(=O)OCCOC)c[nH]c12	57395558	CTMFYMAULUYQLH-LCYFTJDESA-N	298.342	2.827	50	40	CFGB	
NC(=O)N/N=C1/C[C@H]2CCCC[C@@H]2c2ccccc21	104259167	JOBXDIOTFVACCN-SFWGKQECSA-N	257.337	2.737	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1ccc(OC(F)F)cc1	36379432	LMOXYQZLDSIJAC-CMDGGOBGSA-N	282.246	2.670	50	40	CFGB	
Cc1ccc(C(=O)N/N=c2/sc3ccccc3n2C)cc1	6183981	XAMNTWQBSKSGME-FBMGVBCBSA-N	297.383	2.794	50	40	CFGB	
Cc1ccccc1/C=N\NC(=O)c1ccc(F)cc1	4784520	AUSKSWQATKOJSY-YVLHZVERSA-N	256.280	2.898	50	40	CFGB	
CCn1cc(/C=C(/C#N)C(N)=S)c2ccccc21	408542448	IXPZKWAYIZGINO-YFHOEESVSA-N	255.346	2.854	50	40	CFGB	
C[C@H](Cl)C(=O)Nc1ccccc1N1CCCC1	34776760	QARLEWNXEROQNW-JTQLQIEISA-N	252.745	2.853	50	40	CFGB	
C=CCOc1cccc(/C=C(\C#N)C(=O)N2CCCC2)c1	192557050	SYIPWWSXTGQCBH-RVDMUPIBSA-N	282.343	2.781	50	40	CFGB	
COc1ccc(/C=N\NC(=O)Cc2ccc(C)cc2)cc1	195751180	MVSBLSGVQNKXLQ-PDGQHHTCSA-N	282.343	2.696	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)COc2ccccc2)c1	498241	KLNJXXNCVXKJQS-GZTJUZNOSA-N	268.316	2.524	50	40	CFGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1	66745	CTILPMYYGZYYLB-HNNXBMFYSA-N	264.284	2.610	50	40	CFGB	biogenic,in-vitro
CCC[C@@H](C)[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	521759	AQHYFQILVUGFNJ-PELKAZGASA-N	274.320	2.554	50	40	CFGB	
Cc1c(C(=O)N/N=C/C(C)C)[nH]c2ccc([N+](=O)[O-])cc12	551696	XBXWCOYVHOGGDY-VIZOYTHASA-N	288.307	2.756	50	40	CFGB	
CO[C@@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccccc1	1436618	SVJGIPSBCMGCES-CYJQLDTJSA-N	294.354	2.699	50	40	CFGB	
O=P(C/C=C\CO)(c1ccccc1)c1ccccc1	104232118	ZPBRPTHFEIEKKL-FPLPWBNLSA-N	272.284	2.549	50	40	CFGB	
CCOC(=O)[C@@H](/C(C)=N\NC(=O)c1cccs1)C(C)C	4520315	GQHCFUSMZASPQE-DYTQJMLRSA-N	296.392	2.689	50	40	CFGB	
C/C(=N\NC(=O)c1cccc(F)c1)c1ccccc1O	4696005	WXKPPKYCOZHSPE-LICLKQGHSA-N	272.279	2.685	50	40	CFGB	
COc1ccc(C(=O)CBr)cc1SC	59289045	WIKDQXIEYLZQSI-UHFFFAOYSA-N	275.167	2.995	50	40	CFGB	
CCCc1ccc(C(=O)NN)n1Cc1ccc(Cl)cc1	226026287	KAJHMCPQQIEDBV-UHFFFAOYSA-N	291.782	2.746	50	40	CFGB	
CCCOC(=O)OC[C@H](Br)C(F)(F)F	1083809202	XIVFRFHLIABPMB-YFKPBYRVSA-N	279.052	2.875	50	40	CFGB	
FC(F)(F)C1(C(F)(F)F)[C@@H]2C[C@@H]3[C@@H]([C@@H]2Cl)N31	100114777	KTZIHWKLLROSMN-UWLOJIEQSA-N	265.584	2.544	50	40	CFGB	
O=C(CCc1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	59135	KYFZPTOZBQIKTH-SFQUDFHCSA-N	297.314	2.678	50	40	CFGB	
CC1=C(C#N)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1	3110541	AVWGRUSMIDILFE-MRXNPFEDSA-N	280.327	2.884	50	40	CFGB	
O=C(CC1CCCC1)NNC(=O)c1ccccc1Cl	3612405	IDDGVRVXGUGRID-UHFFFAOYSA-N	280.755	2.681	50	40	CFGB	
C[C@@H]1CCC/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)C1	33910160	LNULKSJGQLMVAN-ZYUPPKHXSA-N	275.308	2.891	50	40	CFGB	
CCn1cccc1/C=N/NC(=O)c1ccccc1Cl	408936185	OPOMDUJKHSWRAO-MHWRWJLKSA-N	275.739	2.925	50	40	CFGB	
CCCCC(=O)N/N=C\c1cc(Cl)ccc1[N+](=O)[O-]	31671991	WJOOREFEPFFAMB-ZSOIEALJSA-N	283.715	2.889	50	40	CFGB	
O=C(N/N=C/c1ccccc1O)c1cc(Cl)ccc1O	47979	NEPBMNTUENLSEH-LZYBPNLTSA-N	290.706	2.515	50	40	CFGB	
CCOC(=O)N(/N=C\c1ccccc1)C(=O)OCC	5743329	QJLNDKGIPSPWLO-UVTDQMKNSA-N	264.281	2.636	50	40	CFGB	
COc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1	5514502	KOPCDQPXCUFXDO-INIZCTEOSA-N	278.311	2.913	50	40	CFGB	
N#C/C(=C\c1ccncc1)C(=O)NCc1ccc(Cl)cc1	6633340	IPEFHOZPHBDSLY-NTEUORMPSA-N	297.745	2.958	50	40	CFGB	
CCC(CC)=NNC(=O)c1cc(OC)cc(OC)c1	6685713	ODYDPIQEGGCZKB-UHFFFAOYSA-N	264.325	2.610	50	40	CFGB	
Cc1nn(C)c(C)c1/C=C(\C#N)C(=O)Nc1ccccc1F	13137333	WERAPMMKLKJNFT-XYOKQWHBSA-N	298.321	2.722	50	40	CFGB	
O=C(N/N=C1/CCCc2ccccc21)c1cccnc1	96683065	NZYUEIKTHIBWKX-SDXDJHTJSA-N	265.316	2.552	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1	33399551	BNBZQSVASXKGLA-PDGQHHTCSA-N	281.359	2.825	50	40	CFGB	
O=C1Nc2cccc(CCBr)c2[C@@H]1Cl	100007333	FUHGGNYHOLHJRR-VIFPVBQESA-N	274.545	2.856	50	40	CFGB	
O=C(O)c1ccc(-c2cc(CBr)on2)cc1	215636453	YVSLGPKGGZJGER-UHFFFAOYSA-N	282.093	2.935	50	40	CFGB	in-vitro
N#C/C(=C/c1ccccc1O)C(=O)NCc1ccccc1	15223225	NLEANEJAFMILTD-GDNBJRDFSA-N	278.311	2.616	50	40	CFGB	
CC(C)(C)c1cc(/C=N/NC(N)=O)cc(C(C)(C)C)c1O	3572383	IWNJYYOBQFQXDQ-GIJQJNRQSA-N	291.395	2.989	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1C)c1cccc(N)c1	64467	HBOYOEQSCJXJOS-LDADJPATSA-N	267.332	2.731	50	40	CFGB	
N#CC(NC(=O)/C=C/c1ccccc1)=C(Cl)Cl	11914276	VNRZUGMBFKWTLE-VOTSOKGWSA-N	267.115	2.986	50	40	CFGB	
O=C(NN=C1CCCCCCC1)C(=O)NC1CCCCC1	4832399	UCYGXMPCMODXCL-UHFFFAOYSA-N	293.411	2.652	50	40	CFGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3ccccc32)cc1	7516607	HRVQDWSWMJOTOS-INIZCTEOSA-N	278.311	2.913	50	40	CFGB	
Br[C@H]1[C@H]2C=C[C@H](C2)[C@H]1Br	104212690	QMXMUMFLBFAAGK-UMRXKNAASA-N	251.949	2.719	50	40	CFGB	
Cc1nc(CCl)nc(Cl)c1Br	62701302	CBSPCBURPZMCPT-UHFFFAOYSA-N	255.930	2.940	50	40	CFGB	
FC(F)[C@@](F)(Br)CBr	64370154	DWRCNDATSLAZLA-GSVOUGTGSA-N	255.859	2.707	50	40	CFGB	in-vitro
N#C/C(=C\c1cccc(OCc2ccc(F)cc2)c1)C(N)=O	5860401	KWLJYWOTASGIBC-RIYZIHGNSA-N	296.301	2.797	50	40	CFGB	
C[C@@H](Cl)C(=O)Nc1nc2ccc(N(C)C)cc2s1	20132140	XUHRNNQKRFSERR-SSDOTTSWSA-N	283.784	2.928	50	40	CFGB	
COc1ccc(/C=C/C(=O)N/N=C\c2cccs2)cc1	409056044	MDORYPZSGNVTKZ-SAEKGINCSA-N	286.356	2.920	50	40	CFGB	
CC(C)(C)OC(=O)n1cc(CBr)cn1	88189922	TVZQQCAMWMLAKR-UHFFFAOYSA-N	261.119	2.561	50	40	CFGB	
CC(C)CC(=O)N[C@H](N=C=S)C(Cl)(Cl)Cl	3130672	VWWSUMJBPCAJQZ-ZETCQYMHSA-N	289.615	2.948	50	40	CFGB	
CCN(CC)c1ccc(C(=O)Cl)cc1[N+](=O)[O-]	22124531	YAEMBECMTQMNRO-UHFFFAOYSA-N	256.689	2.820	50	40	CFGB	
FC(Br)(Br)CBr	59173053	WGBLBSMTZHIANX-UHFFFAOYSA-N	284.748	2.794	50	40	CFGB	
C[C@@H]1Cc2cc(/C=N\NC(=O)Cc3ccccc3)ccc2O1	408710795	KXCHSNXEZQKKHK-CQLSMYGBSA-N	294.354	2.703	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C\c2cc(C)ccc2O)cc1	409361083	OWCOWTUNTLJGFX-WQRHYEAKSA-N	282.343	2.702	50	40	CFGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(C)o2)cc1	5953568	LKQDWZBNHVIGJS-MHWRWJLKSA-N	272.304	2.751	50	40	CFGB	
C/C(=N/NC(=O)c1ccccc1)C(=O)c1ccccc1	16954350	CLUVXTRAEQOZIX-ATVHPVEESA-N	266.300	2.675	50	40	CFGB	
N#CC(C#N)=C(N)/C(C#N)=C/c1cccc(Br)c1	100223894	WPCDZYNVIQAGNO-ONNFQVAWSA-N	299.131	2.616	50	40	CFGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccn1	232302	DLGCNGAOUXVBPS-DJKKODMXSA-N	293.248	2.864	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	255837	PALYVALMLWDKET-RIYZIHGNSA-N	289.316	2.729	50	40	CFGB	
Cc1cc(C=C(C#N)C#N)c(C)n1C[C@H]1CCCO1	59109175	CGHDCLLQONFDKJ-OAHLLOKOSA-N	255.321	2.715	50	40	CFGB	
O=C(N/N=C1\C[C@H]2C=CC[C@@H]12)c1ccc2ccccc2n1	20926588	YUGDJJZAHFVESW-IEFMBFDVSA-N	277.327	2.917	50	40	CFGB	
CC(C)/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccccc1	4646832	LRCYHHNWXKEGMJ-FDCFBWIESA-N	296.370	2.897	50	40	CFGB	
O=C(CCl)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1	6828571	DNTAUARATQNBNX-UHFFFAOYSA-N	293.798	2.986	50	40	CFGB	
CN(Cc1ccccc1)C1CCC(NC(=O)CCl)CC1	79414859	UWEYLTSPTAAWRV-UHFFFAOYSA-N	294.826	2.785	50	40	CFGB	
COC(=O)c1cccc(C(=O)C(C)(C)CCl)c1	575362229	AUMSIPBBHLYEJV-UHFFFAOYSA-N	254.713	2.921	50	40	CFGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1	4893935	JVMOLYCQEARFEY-KAMYIIQDSA-N	283.375	2.718	50	40	CFGB	
CCOC(=O)/C(C#N)=C\Nc1ccc(Cl)nc1Cl	104268526	KEBXIJKRDHCDGY-SREVYHEPSA-N	286.118	2.771	50	40	CFGB	
N#C/C(=C1\Nc2ccccc2NC1=O)c1ccccc1	104209617	BUFRYGPHYVLLTC-NTCAYCPXSA-N	261.284	2.985	50	40	CFGB	
NNC(=O)c1cc2c(C(F)(F)F)cccc2s1	44676327	NHPWZOMZXREAFY-UHFFFAOYSA-N	260.240	2.524	50	40	CFGB	
Cc1ccc(C(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)cc1C	5618081	KWIUMXJFKFDPDT-OXJGYNLJSA-N	254.333	2.985	50	40	CFGB	
O=C(NN=C1CCCC1)c1ccc(Cl)cc1O	16989277	YCTRFKHSVQKQPS-UHFFFAOYSA-N	252.701	2.705	50	40	CFGB	
CC1CCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	231865	OIHHCXZXSGXBRX-UHFFFAOYSA-N	275.308	2.891	50	40	CFGB	
CCC(CC)=NNC(=O)c1c(C)nc2cc(C)ccn12	59435407	VSNWPTDBUQHWMW-UHFFFAOYSA-N	272.352	2.857	50	40	CFGB	
CC(=O)c1oc2ccccc2c1NC(=O)CCl	4200362	GJOKGQKLBFSLCP-UHFFFAOYSA-N	251.669	2.813	50	40	CFGB	
CCN/C(SC)=C(/C#N)c1nc(-c2ccccc2)no1	15829716	BKJAEYLVIAUVBT-SDNWHVSQSA-N	286.360	2.901	50	40	CFGB	
COc1ccccc1N(CC(F)(F)F)C(=O)CCl	7988995	QRUACVSZNUZBKA-UHFFFAOYSA-N	281.661	2.829	50	40	CFGB	
CCn1nc(/C(C#N)=C/c2ccc(C)cc2)c(C#N)c1N	408972512	DBSCWVYYYYDZDG-MDWZMJQESA-N	277.331	2.729	50	40	CFGB	
FC(F)(F)C(F)(F)OCCCBr	91251944	PFQUIMGCLJUGQD-UHFFFAOYSA-N	256.996	2.943	50	40	CFGB	
O=C(OC/C=C/CCl)c1ccc([N+](=O)[O-])cc1	1746403	KDQZVWCPLBDLOY-OWOJBTEDSA-N	255.657	2.547	50	40	CFGB	
COC(=O)[C@H](n1cccc1C=C(C#N)C#N)C(C)(C)C	1393904	ZICDTZHYSGAYMV-ZDUSSCGKSA-N	271.320	2.679	50	40	CFGB	
Cc1ccc(C(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)cc1[N+](=O)[O-]	5547392	DQXMFHHVERXHKZ-ANWMDLNMSA-N	285.303	2.585	50	40	CFGB	
Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccc(O)cc2)c1	32109255	QTCITHCEULFNGK-FHNWIRHTSA-N	298.342	2.618	50	40	CFGB	
COc1cccc(CCC(=O)Cl)c1OC(F)F	78406321	UTCGHJRBHRIECF-UHFFFAOYSA-N	264.655	2.995	50	40	CFGB	
C[C@H](Cl)C(=O)Nc1nc2ccc(N(C)C)cc2s1	20132144	XUHRNNQKRFSERR-ZETCQYMHSA-N	283.784	2.928	50	40	CFGB	
Cc1cc(C(=O)N/N=C/c2ccco2)c2ccccc2n1	262936	HZWVHAUETODUJQ-LICLKQGHSA-N	279.299	2.900	50	40	CFGB	
O=C1OC(=O)C2=C1CCc1ccc3ccccc3c12	104249040	SPJDCFLKHUFRMH-UHFFFAOYSA-N	250.253	2.623	50	40	CFGB	
COc1ccc2cc(C(=O)NN(C)c3ccccc3)[nH]c2c1	58391715	DAQIUAOVLBBMRT-UHFFFAOYSA-N	295.342	2.958	50	40	CFGB	
C/C(=N\NC(=O)C1CC1)c1ccc(OC(F)F)cc1	5164134	KSSJAVDETXARHZ-LZYBPNLTSA-N	268.263	2.538	50	40	CFGB	
F[C@@H](C(F)(F)F)C(F)(F)OCCBr	1083806992	MUYMCSYITWCIDS-VKHMYHEASA-N	274.986	2.891	50	40	CFGB	
O=C(Cl)[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O	11974786	XVNYYFQWEYONQY-CYBMUJFWSA-N	299.713	2.789	50	40	CFGB	
COC(=O)c1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1	19419675	HWDIJVLGAAWVDD-UHFFFAOYSA-N	293.326	2.755	50	40	CFGB	
O=C(CCl)O/N=C1\CCSc2ccc(F)cc21	165682	OJLLIPDICAQXGQ-NTEUORMPSA-N	273.716	2.808	50	40	CFGB	
O=[N+]([O-])c1cnc(Cl)c(CBr)c1	57218942	ASQYIXLIIATUMQ-UHFFFAOYSA-N	251.467	2.538	50	40	CFGB	
N#CC(C#N)=C1C=C2C=C(N3CCOCC3)CC[C@H]2CC1	58158327	OTNNJFVMASNJEJ-CYBMUJFWSA-N	281.359	2.676	50	40	CFGB	
COc1cc([N+](=O)[O-])cc(/C=C/C#N)c1OC(F)F	78406352	DDUSNXAULOSSQC-NSCUHMNNSA-N	270.191	2.742	50	40	CFGB	
O=C(Cc1cccs1)N/N=C/C1CCCCC1	6590337	LASQVYHXANNRFL-GXDHUFHOSA-N	250.367	2.973	50	40	CFGB	
CC(C)n1ncc2cc(NC(=O)[C@@H](C)Cl)cnc21	37391899	VOFZZLUCQNITRS-MRVPVSSYSA-N	266.732	2.578	50	40	CFGB	
CCCC/C(C)=N\NC(=O)C(=O)Nc1ccc(Cl)cc1	59515738	FXSJTJOMEIEVRA-YVLHZVERSA-N	295.770	2.961	50	40	CFGB	
O=C(CCl)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	5257068	VXAJQPNTCDRWLF-UHFFFAOYSA-N	282.605	2.791	50	40	CFGB	
CC(C)(C)OC(=O)Nc1ncc(C(=O)Cl)s1	39123795	UVLGNAPYSOOUBI-UHFFFAOYSA-N	262.718	2.869	50	40	CFGB	
O=C(Cl)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1	45952341	BFOOPGNIFKJZIX-LLVKDONJSA-N	273.719	2.958	50	40	CFGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cccs1)OCO3	78547628	CPUQBCLTABRYQF-CQSZACIVSA-N	298.323	2.695	50	40	CFGB	
CCCSC1=C(C#N)C2(CCCC2)[C@H](C#N)C(=O)N1	8994120	LFIURPCLZHJIKX-SNVBAGLBSA-N	275.377	2.695	50	40	CFGB	
O=C(Cl)[C@@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1	34461007	ZZRJUXWRRBGKQN-RDZWNTDESA-N	281.783	2.569	50	40	CFGB	
BrCc1ccccc1-c1nn2cnnc2s1	41126783	ZWVFYWLETZONFB-UHFFFAOYSA-N	295.165	2.748	50	40	CFGB	
C/C(=N\NC(=O)CCc1ccccc1)c1ccc(N)cc1	12403607	YURLOALTTIPDQV-CPNJWEJPSA-N	281.359	2.742	50	40	CFGB	
CC(C)[C@H](Br)C(=O)N1CCCC[C@H]1C	19435283	IYZUPJNTPXMFNM-ZJUUUORDSA-N	262.191	2.807	50	40	CFGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(N)=O	6200667	RYEDXBVJOFASGC-RQZCQDPDSA-N	271.320	2.629	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1c[nH]c2ccccc12	4506779	COGDRFDGXKEHGJ-XFFZJAGNSA-N	253.305	2.599	50	40	CFGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cccs1)OCO3	78547630	CPUQBCLTABRYQF-AWEZNQCLSA-N	298.323	2.695	50	40	CFGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])NC1CCCCC1	3282134	OOUKKXLYJQTISS-XNTDXEJSSA-N	290.323	2.561	50	40	CFGB	
CC(C)COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1	59333732	JIHWBULOWORPKF-ZROIWOOFSA-N	272.348	2.717	50	40	CFGB	
CCCCCCOc1ccccc1/C=N/NC(N)=O	2077156	BVAXGBXYCNUKBO-LFIBNONCSA-N	263.341	2.648	50	40	CFGB	
CO[Si](CCCCCCCC[C@@H]1CO1)(OC)OC	196689932	UEFJJFILJJDEFC-CYBMUJFWSA-N	276.449	2.994	50	40	CFGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OC(C)C	5644151	CSPOUIIUARXAGD-ONNFQVAWSA-N	294.738	2.528	50	40	CFGB	
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccncc1	13037806	PZXHYJPMHGQTMW-YBFXNURJSA-N	278.315	2.717	50	40	CFGB	
CC(=O)N/N=C\c1cccn1-c1ccc(C)c(Cl)c1	30813967	AXSYDROZPYUYET-SXGWCWSVSA-N	275.739	2.909	50	40	CFGB	
CC(C)Cc1ccc(/C=N/C(C#N)=C(\N)C#N)cc1	100004370	ADVNRHLLJHJHMK-PNZHPCDISA-N	252.321	2.521	50	40	CFGB	
CCCC(=O)NNC(=O)COc1ccccc1[C@H](C)CC	8569370	MGBIPJCUBSOAKZ-GFCCVEGCSA-N	292.379	2.526	50	40	CFGB	
C=C1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1	95117447	ZJBJQOVKBPNEOF-HNNXBMFYSA-N	278.311	2.667	50	40	CFGB	
Nc1ccc(OC[C@H](Br)C(F)(F)F)cc1	1083811712	HHMKTAAJGMGMRG-QMMMGPOBSA-N	284.075	2.973	50	40	CFGB	
O=C1CC(c2ccc(C(F)(F)F)cc2)CC(=O)O1	95671373	HZDZILMFIREYDD-UHFFFAOYSA-N	258.195	2.653	50	40	CFGB	
O=C(O)/C=C\c1ccc(N(CCF)CCCl)cc1	17354589	NEHQIFYEZKEVMS-UTCJRWHESA-N	271.719	2.799	50	40	CFGB	
Cc1occc1C(=O)NNC(=O)Nc1cccc(Cl)c1	2754179	ZNHYFNMWRYEHMS-UHFFFAOYSA-N	293.710	2.708	50	40	CFGB	
O=C(N/N=C/c1cccc(F)c1)NC1CCCCC1	3247759	BSXQPEKUHKTOKI-MHWRWJLKSA-N	263.316	2.792	50	40	CFGB	
Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2ccco2)cc1	4016433	XFOQQVWUIPDHTD-VCHYOVAHSA-N	294.314	2.742	50	40	CFGB	
Cc1ccc(C(=O)N/N=C2/C[C@@H]3C=CC[C@@H]23)cc1C	5618083	KWIUMXJFKFDPDT-WGPYCZSNSA-N	254.333	2.985	50	40	CFGB	
CCSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1	9374904	PEPUZIALBDALCC-LLVKDONJSA-N	258.346	2.778	50	40	CFGB	
CC(C)c1ccc(NC(=O)C(=O)NN=C2CCCC2)cc1	5413659	SJAVCDGZWKPETB-UHFFFAOYSA-N	287.363	2.795	50	40	CFGB	
ClCCc1c[nH]c2ccc(Cn3cncn3)cc12	206509424	DBXSXTJZLPJJHE-UHFFFAOYSA-N	260.728	2.589	50	40	CFGB	
O=C(NCCCl)c1cccc(C(F)(F)F)c1	1667993	PQXCLOQHJXXJQO-UHFFFAOYSA-N	251.635	2.674	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC)cc1OCC	5475225	OPWCISINDYXCCS-LCYFTJDESA-N	289.331	2.954	50	40	CFGB	
ClC[C@H]1CS[C@@H](c2ccc3c(c2)OCO3)O1	1766738	JJKURWROWFPDRT-KWQFWETISA-N	258.726	2.785	50	40	CFGB	
O=C(Cc1cccs1)N/N=C\c1cccs1	4714539	XUYPQDVJFSJFJI-WQLSENKSSA-N	250.348	2.502	50	40	CFGB	
O=C(NNc1ccccc1)c1cnc(-c2ccccc2)nc1	111554105	WFWJSUUIHRFUFB-UHFFFAOYSA-N	290.326	2.901	50	40	CFGB	
N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccc(O)cc1	408941318	WHSVHHMEQQZYKO-WQLSENKSSA-N	280.283	2.643	50	40	CFGB	
Cc1c(/C=N\NC(=O)c2cccnc2)c2ccccc2n1C	35339817	RVHZLIXXRFEQLW-ODLFYWEKSA-N	292.342	2.646	50	40	CFGB	
Oc1cc(CCl)nc(C2(COCC3CCC3)CC2)n1	217794960	UHXQSKIKOBDQFS-UHFFFAOYSA-N	282.771	2.769	50	40	CFGB	
Cc1nc(I)ccc1CCl	72219668	UEDLDSOZWRGREO-UHFFFAOYSA-N	267.497	2.733	50	40	CFGB	
Cc1ccc(Cn2c(C)c(C(=O)NN)c3ccccc32)cc1	216947298	SMFQCEGRVZVBMZ-UHFFFAOYSA-N	293.370	2.910	50	40	CFGB	
CC(C)(C)[Si](C)(C)OC[C@H]1CC[C@]2(CO)CCCN12	1857776026	UEZMBVPCOJWAER-HIFRSBDPSA-N	285.504	2.998	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)/C=C/c2cccs2)cc1	511805	FKWFVOBXWGNFQV-CMDGGOBGSA-N	286.356	2.531	50	40	CFGB	
CCCOc1cc(/C=C(\C#N)C(N)=S)ccc1OC	19853069	ATOBKOURHZHZOC-YRNVUSSQSA-N	276.361	2.677	50	40	CFGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccn1	124663	JAZITXOCVWKNEP-CQSZACIVSA-N	295.342	2.532	50	40	CFGB	
CC(C)n1ncc2cc(NC(=O)[C@H](C)Cl)cnc21	37391900	VOFZZLUCQNITRS-QMMMGPOBSA-N	266.732	2.578	50	40	CFGB	
CC/C(=N\NC(N)=O)[C@H]1C[C@@]2(C)CC[C@@H]1C2(C)C	4701446	XOEPTCGYDLHANO-KHQPLHSFSA-N	251.374	2.883	50	40	CFGB	
CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)c2ccoc2C)C1(C)C	22006774	GGIXFCQYCGMAJC-QWHCGFSZSA-N	290.363	2.587	50	40	CFGB	
CC(C)c1[nH]nc2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2	971421	CXGFKGDICHIHRT-LBPRGKRZSA-N	298.321	2.890	50	40	CFGB	
CC1CCN(C(=O)/C(C#N)=C\c2cccc([N+](=O)[O-])c2)CC1	27016083	MTGCKJCRROTUBV-ZROIWOOFSA-N	299.330	2.760	50	40	CFGB	
COc1cccc(C(=O)N/N=C2/C[C@H]3CC[C@@H]2C3)c1	4646704	DDFXZNFQISCFDQ-FRROQNSTSA-N	258.321	2.601	50	40	CFGB	
COc1cc(C[C@H](C)Cl)c(OC)c2c1OCO2	14988015	XFGYZZTVUYUDKJ-ZETCQYMHSA-N	258.701	2.602	50	40	CFGB	
N#Cc1c(CCl)cc(O)n2c1nc1ccccc12	1505840701	SGEUHGNQLUGPKM-UHFFFAOYSA-N	257.680	2.804	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1ccccc1[N+](=O)[O-]	225631133	PBTGERFGSPGQIL-IIJMIFMCSA-N	285.303	2.523	50	40	CFGB	
Cc1cc(O)c(NCC(=O)CCl)c(C)c1Cl	228924816	IUBBNBYVUNTNND-UHFFFAOYSA-N	262.136	2.882	50	40	CFGB	
CC(C)[C@H](NC(=O)NCCCl)c1ccccc1	5733184	ASGZEECDFQVKNK-LBPRGKRZSA-N	254.761	2.922	50	40	CFGB	
C/C(=N\NC(=O)c1ccncc1)c1ccc(C)c(C)c1	5363688	DZAOKSVRQQIJHG-QGOAFFKASA-N	267.332	2.852	50	40	CFGB	
O=C(CCc1ccccc1)N/N=C/c1cccc(F)c1	6338671	IEMFSVHSJUXXLR-LDADJPATSA-N	270.307	2.909	50	40	CFGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(C#N)cc1	493512	PPRFYTIBLBGNPH-WOJGMQOQSA-N	263.300	2.631	50	40	CFGB	
COc1ccc2nccc(C(=O)CBr)c2c1	1671968	ZDCMMAIOSQQVRN-UHFFFAOYSA-N	280.121	2.821	50	40	CFGB	
CC(=O)O[C@H]1C[C@H]2[C@H]([C@H]3CC[C@@H]2C3)[C@@H]1Br	4934316	AFUCICOSIKAOHN-KVJUNOMYSA-N	273.170	2.748	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccncc2)c(C)c1C	58928083	QFXJOYXLMUBLQS-VCHYOVAHSA-N	267.332	2.771	50	40	CFGB	
O=C(N/N=C1\C[C@@H]2C=CC[C@H]12)c1ccc(Cl)cc1O	17007666	ZPBWFUCYLLDCLG-OYUDUMQWSA-N	276.723	2.727	50	40	CFGB	
ClCc1cn2cc(I)ccc2n1	35964199	QMJULULKYXRWBW-UHFFFAOYSA-N	292.507	2.678	50	40	CFGB	
O=C/C=C/c1cc(Br)cc([N+](=O)[O-])c1	216775941	UZZBZXDSXLMFRZ-OWOJBTEDSA-N	256.055	2.569	50	40	CFGB	
O=C(CBr)CCOCc1ccccc1	118622953	VVCVDICHBDQBEO-UHFFFAOYSA-N	257.127	2.557	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2cccs2)cc1[N+](=O)[O-]	5618290	RFHNEUATKOPEKO-RIYZIHGNSA-N	289.316	2.729	50	40	CFGB	
Cc1onc(-c2ccccc2Cl)c1C(=O)NN(C)C	137259	WUMLHMDWRIFJJF-UHFFFAOYSA-N	279.727	2.510	50	40	CFGB	
COCCCNC(=O)N/N=C1/C[C@@H](C)CC[C@H]1C(C)C	103818522	LMMXAUBSWAGYAR-ZFZJTJTISA-N	283.416	2.770	50	40	CFGB	
CSc1ccc(NS(=O)(=O)CCCCl)cc1	22996860	LCCDBJNVMLQCDN-UHFFFAOYSA-N	279.814	2.779	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc([N+](=O)[O-])cc1	100508264	KMOSZMOEOSCFRJ-DEOCKOSDSA-N	287.319	2.747	50	40	CFGB	
CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C	28216670	VQPKHWUIHZSSOL-LICLKQGHSA-N	269.348	2.873	50	40	CFGB	
N#C/C(=C/c1ccccc1Cl)C(=O)NCc1ccccn1	6633545	XXKKWLYZQRDTAV-LCYFTJDESA-N	297.745	2.958	50	40	CFGB	
CCSC1=C(C#N)C2(CCCCC2)C(C#N)=C(N)N1	4725934	VQJJMWHLZBZZJZ-UHFFFAOYSA-N	274.393	2.722	50	40	CFGB	
BrCC1(CBr)CCOCC1	307593515	HJGMNLGPBCXWGK-UHFFFAOYSA-N	271.980	2.573	50	40	CFGB	
CC(C)C(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2	97152363	BGKCRFOGXXSENE-GHXNOFRVSA-N	257.289	2.590	50	40	CFGB	
O=c1[nH]c(CCl)nc2c1[C@@H]1CCCC[C@H]1S2	71981130	YNHOYFMCCWIJNK-RNFRBKRXSA-N	256.758	2.641	50	40	CFGB	
C[C@H]1[C@H]2C[C@@H]([C@@H](Br)C23OCCO3)C1(C)C	222071025	MBWIJPYDHZDSFW-QCLAVDOMSA-N	275.186	2.805	50	40	CFGB	
Cc1ccccc1OCc1ccc(/C=C(\C#N)C(N)=O)o1	17008748	GEJWTTUNSUXNFL-XYOKQWHBSA-N	282.299	2.559	50	40	CFGB	
C/C(=N/NC(=O)COc1ccccc1C)c1ccccc1O	17146212	ZBVRTBOZVFPVJX-AQTBWJFISA-N	298.342	2.620	50	40	CFGB	
C[C@@H]1C[C@@H](C)O[P@](=O)(N(CCCl)CCCl)N1	5574693	JXQRSUNWPFQCPR-LGZSNQIQSA-N	289.143	2.661	50	40	CFGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1cccnc1	13736787	UEHLSZJDQXWTDH-ODLFYWEKSA-N	291.310	2.704	50	40	CFGB	
CCc1ccc(C(=O)N/N=C/c2ccc(C)cc2)nc1	880455	SBGQSZDTDWMDOC-WOJGMQOQSA-N	267.332	2.716	50	40	CFGB	
CC12C(=O)OC(=O)C(c3ccccc31)c1ccccc12	104171935	GOGFEFLFVCQQOJ-UHFFFAOYSA-N	264.280	2.521	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	5573803	AIJRUJPGHHZYQG-UXBLZVDNSA-N	267.231	2.758	50	40	CFGB	
CCS(=O)(=O)c1ccc2oc([C@@H](C)Cl)nc2c1	72220837	YDHSLPBCBZICNS-SSDOTTSWSA-N	273.741	2.921	50	40	CFGB	
Cc1ccsc1/C=C(\C#N)C(=O)N1CCCCC1	40221114	WERRLFMDQKOXEH-FMIVXFBMSA-N	260.362	2.976	50	40	CFGB	
COC(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	179166	HOWXGBSTXKITHR-MHWRWJLKSA-N	271.320	2.784	50	40	CFGB	
C[C@@H](SC#N)C(=O)c1cc(Br)ccc1O	5528828	QWVXAVKLOOJNKD-ZCFIWIBFSA-N	286.150	2.940	50	40	CFGB	
F[C@@H]1C[C@@H]2[C@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F	100145990	DVWLACCWRDCQEN-SQOUGZDYSA-N	285.590	2.787	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1Cl)c1ccccn1	4587878	ZZVQLAKQSOCBHX-LICLKQGHSA-N	273.723	2.889	50	40	CFGB	
O=S(=O)(CCCCl)N[C@H]1CCCc2ccccc21	36881973	DRCVOFNEPRJNDP-ZDUSSCGKSA-N	287.812	2.612	50	40	CFGB	
CC(C)=NNC(=O)[C@@H](C)Sc1ccc(C)cc1	409142337	YEMLYAMLADIUNJ-LLVKDONJSA-N	250.367	2.988	50	40	CFGB	
Cc1c(Cl)cccc1-c1ccc(CCC(=O)NN)o1	216924093	QJNIDXRICILBNA-UHFFFAOYSA-N	278.739	2.831	50	40	CFGB	
N#C/C(=C/c1ccoc1)C(=O)Nc1cccc(C(=O)O)c1	34856037	IXRULZZCBLKQGQ-SDQBBNPISA-N	282.255	2.523	50	40	CFGB	
O=C(Cl)c1cnc(Br)c(Cl)c1	199798726	WUAPFOZRJZHFHV-UHFFFAOYSA-N	254.898	2.877	50	40	CFGB	
O=C(N/N=C/c1ccc(O)cc1)[C@H]1C[C@@H]1c1ccccc1	1020612	SXRNNKHOSHIGKX-MAIUNSNDSA-N	280.327	2.646	50	40	CFGB	
CCNC(=O)NC1=C(C#N)C(C)(C)Cc2ccccc21	15841390	ACFSLIZUXCKFQX-UHFFFAOYSA-N	269.348	2.823	50	40	CFGB	
COc1ccccc1OCC(=O)N/N=C/c1ccccc1C	510861	RDQXAZTUPHFXOV-WOJGMQOQSA-N	298.342	2.533	50	40	CFGB	
CCn1cc(/C=C(\C#N)C(=O)NC2CC2)c2ccccc21	6568604	HYTBUALNMSGMIM-FMIVXFBMSA-N	279.343	2.847	50	40	CFGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cccc(O)c1	408958236	XYMLZMBCGVLKAG-LOGAQHJJSA-N	272.348	2.669	50	40	CFGB	
O=C(N/N=C/c1ccccc1O)c1cccc2cc[nH]c12	175582	VESQODFQAIJJNL-VCHYOVAHSA-N	279.299	2.637	50	40	CFGB	
Cc1ccccc1/C=N/NC(=O)CNc1ccc(F)cc1	58900815	MMDDQQZZNNOQQU-VXLYETTFSA-N	285.322	2.696	50	40	CFGB	
O=C1[C@@H](Br)CCN1c1ccccc1Cl	62151972	LZTXVQZRVOLFLY-ZETCQYMHSA-N	274.545	2.840	50	40	CFGB	in-vitro
COc1ccccc1/C=C(\C#N)C(=O)Nc1nccs1	3617138	QJKRJWRWWZRSJG-DHZHZOJOSA-N	285.328	2.697	50	40	CFGB	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccco2)c1	13858335	ITJWWEHQWBUMGN-UHFFFAOYSA-N	289.360	2.528	50	40	CFGB	
COc1ccc(/C=N/NC(=O)Cc2cccs2)cc1C	409207292	RJGDMOJIEWIIEZ-MHWRWJLKSA-N	288.372	2.758	50	40	CFGB	
CNc1ccccc1C(=O)N/N=C\c1ccc(OC)cc1	31723737	AAIOTHIYRBDZSP-WQRHYEAKSA-N	283.331	2.501	50	40	CFGB	
CC[C@H](C)n1c(Cc2ccc(C)cc2)ccc1C(=O)NN	226029591	IHGPAPVPRODSFS-ZDUSSCGKSA-N	285.391	2.962	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2ccc(F)cc2)cc1	8158772	KUHYHURQOQHSPC-XDHOZWIPSA-N	299.349	2.585	50	40	CFGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccn1	124667	JAZITXOCVWKNEP-AWEZNQCLSA-N	295.342	2.532	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H]1CCCO1	564379	LQNIZMSMUZSKBG-LBMJDHPKSA-N	287.146	2.623	50	40	CFGB	
CC/C(=N\NC(N)=O)[C@@H]1C[C@]2(C)CC[C@@H]1C2(C)C	100363159	XOEPTCGYDLHANO-BTJUOGRVSA-N	251.374	2.883	50	40	CFGB	
C[C@]12CC[C@@H]([C@H](Br)C1=O)[C@@]2(C)CCC(=O)O	103612259	UHBNKGHKJHETSR-CWFXUQSRSA-N	289.169	2.620	50	40	CFGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(C#N)cc1	5175565	RKZAWWHRWQDNBK-DKTIAJDNSA-N	281.359	2.835	50	40	CFGB	
COc1ccc(C(=O)/C(C#N)=C\c2cccnc2)cc1	44720938	DCHFSOVULOSADF-ZROIWOOFSA-N	264.284	2.880	50	40	CFGB	
CCC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1	6396372	OKUWQXYZAIQIRG-UHFFFAOYSA-N	292.191	2.721	50	40	CFGB	
CCCSC1=C(C#N)C2(CCCC2)[C@@H](C#N)C(=O)N1	8994121	LFIURPCLZHJIKX-JTQLQIEISA-N	275.377	2.695	50	40	CFGB	
N#C/C(=C\c1cc(Br)cs1)C(=O)O	7155570	ROULRPKZPPOYSM-ORCRQEGFSA-N	258.096	2.502	50	40	CFGB	in-vitro
CCn1c(C)cc(/C=N/NC(=O)c2ccccc2)c1C	409071219	GAPSFPNRPPMIMJ-GZTJUZNOSA-N	269.348	2.889	50	40	CFGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(F)cc2)C2=C1CCCC2=O	409127150	IPIQDEQGMNBJJF-OAHLLOKOSA-N	297.333	2.556	50	40	CFGB	
CCC(=NNC(N)=O)[C@@H](CC)c1ccc(OC)cc1	245240938	VHIYOUYFUXZOFU-LBPRGKRZSA-N	263.341	2.623	50	40	CFGB	
COc1ccc(C(=O)N/N=C/c2cc(C)c(O)c(C)c2)cc1	8228651	HSYNRSBOKDMJQR-VCHYOVAHSA-N	298.342	2.782	50	40	CFGB	
CCC(CC)C(=O)N[C@H](O)C(Cl)(Cl)[C@H](C)Cl	1594976	CWXZXUVFQFMCGG-IMTBSYHQSA-N	290.618	2.658	50	40	CFGB	
Cc1c(C(=O)NCCBr)[nH]c2ccccc12	1696600	RSDUZCFEYRRYGW-UHFFFAOYSA-N	281.153	2.601	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CC1	511007	GGXCYMHZRPSMHA-MKMNVTDBSA-N	257.120	2.854	50	40	CFGB	
Cc1ccccc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-]	107713206	WWKLYPQORLFFRJ-BOPFTXTBSA-N	297.314	2.596	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)c1cc(C)ccc1O	102981114	CBOFAUDEFLDDGS-GZTJUZNOSA-N	284.315	2.560	50	40	CFGB	
C/C(=N\NC(=O)c1ccccn1)c1ccc(Cl)s1	5382108	CPKDHRDBHAAZJZ-OVCLIPMQSA-N	279.752	2.951	50	40	CFGB	
COC(=O)c1cc(/C=C(\C#N)c2ccccn2)oc1C	9366517	XHVSVOSPUNRELF-YRNVUSSQSA-N	268.272	2.834	50	40	CFGB	
NNC(=O)c1ccc2nc(-c3ccccc3F)sc2c1	73635076	DFNYNVBNNIBMRD-UHFFFAOYSA-N	287.319	2.706	50	40	CFGB	
CC[C@H](Br)C(=O)Nc1nnc(C(C)C)s1	41181202	RIVBZOVDCNIAGE-LURJTMIESA-N	292.202	2.774	50	40	CFGB	
C/C=C1/CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccccc14	4331630	VFUITWPFKLGEQA-NWGBDFOMSA-N	292.382	2.857	50	40	CFGB	
O=C(N/N=C/c1ccc[nH]1)c1cccc(Br)c1	39347	PRVOGODONYSDRI-OVCLIPMQSA-N	292.136	2.541	50	40	CFGB	
O=C(NNC(=O)c1cc2ccccc2o1)c1ccccc1	3559633	WTJAZYVSLHFDAE-UHFFFAOYSA-N	280.283	2.508	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1cc2cc(C)cc(C)c2[nH]c1=O	4778892	GYGPJKRYRYUKGB-ZSOIEALJSA-N	296.326	2.615	50	40	CFGB	
O=C(CCl)NCc1ccccc1OC1CCCC1	57214347	YYGPGWMHRCJSDI-UHFFFAOYSA-N	267.756	2.863	50	40	CFGB	in-vitro
CC[C@]1(c2ccc(/N=C/CCl)cc2)CCC(=O)NC1=O	100158658	RMYIJEJOMGPTLW-ZXMBATIKSA-N	292.766	2.712	50	40	CFGB	
O=C(CCl)c1ccc(NC(=O)c2ccco2)cc1	7779460	RZLNJWMGGPVYAG-UHFFFAOYSA-N	263.680	2.953	50	40	CFGB	
CCCCn1c(CCc2ccccc2)ccc1C(=O)NN	226028645	UYJGOCCVTZNLBM-UHFFFAOYSA-N	285.391	2.677	50	40	CFGB	
CC(C)c1ccc(OCC(=O)N/N=C/c2ccc[nH]2)cc1	506996	PABLUWLXHBVDFR-VCHYOVAHSA-N	285.347	2.667	50	40	CFGB	
N#C/C(=C/c1ccc(C#N)cc1)c1nnc2n1CCCCC2	6888937	KGHXLOBTYFLCDC-GDNBJRDFSA-N	289.342	2.940	50	40	CFGB	
O=C(N/N=C\c1ccoc1)c1cc2ccccc2o1	408954544	XREASEXAGBIPMJ-NVNXTCNLSA-N	254.245	2.790	50	40	CFGB	
O=C(OC/C=C\CCl)c1ccc([N+](=O)[O-])cc1	5181627	KDQZVWCPLBDLOY-UPHRSURJSA-N	255.657	2.547	50	40	CFGB	
CCCN1C=CC(=C/C=C(\C#N)C(=O)OCC)C=C1	501455	QNMANEVQXXHPNY-MKMNVTDBSA-N	258.321	2.679	50	40	CFGB	
N#C/C(=C\c1ccc(F)c(Br)c1)C(N)=S	408544789	XWLJXZVIFUOURI-XVNBXDOJSA-N	285.141	2.781	50	40	CFGB	
O=CC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1	32694158	VPFJNVZPSMYAON-QINSGFPZSA-N	269.344	2.649	50	40	CFGB	
O=C(Cl)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Cl	143863827	OLBVCVQYZWLWAM-UHFFFAOYSA-N	265.008	2.535	50	40	CFGB	
O=NN(CCCl)C(=O)Nc1cc(Cl)ccc1O	5049344	PVQHCDWFSSSUBW-UHFFFAOYSA-N	278.095	2.800	50	40	CFGB	
Cc1cc(C)cc(C(=O)NNC(=O)c2ccc(F)cc2)c1	505668	XCVWRFIJXYIRDK-UHFFFAOYSA-N	286.306	2.517	50	40	CFGB	
CN(C)NC(=O)Cc1coc2ccc3ccccc3c12	8033173	DQDQFSDZSZNGNZ-UHFFFAOYSA-N	268.316	2.721	50	40	CFGB	
C=CCNC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	3616146	CWBZNVKLHHOBPM-YRNVUSSQSA-N	280.249	2.915	50	40	CFGB	
[O-][n+]1ccccc1S[C@@H]1[C@@H](Cl)[C@H]2CC[C@@H]1C2	4594020	VPJMOIZJZVYUCD-QCMRWSPLSA-N	255.770	2.818	50	40	CFGB	
O=C(Cl)C[C@@H](NC(=O)C(F)(F)F)c1ccccc1	36458112	QJUXCDJANGCSQU-MRVPVSSYSA-N	279.645	2.562	50	40	CFGB	
CC[C@H](C(=O)N/N=C/c1cccnc1)c1ccccc1	15934425	KSOTWIHEFWUOGI-BRFSQIRFSA-N	267.332	2.726	50	40	CFGB	
C/C(=N/NC(=O)c1ccc(Cl)s1)c1ccncc1	32578356	ZXKFMHPGRONKPF-NVNXTCNLSA-N	279.752	2.951	50	40	CFGB	
C[C@H]1[C@@H](Br)C(O)=NC(=O)N1Cc1ccccc1	1683914	YCSSNQMQIYSIJL-WCBMZHEXSA-N	297.152	2.731	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C(\C)c2ccco2)cc1	125114	SESQIVZOQMBHPS-LFIBNONCSA-N	272.304	2.832	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccccc1	5222471	UJUZNAWMLQZDEK-LFIBNONCSA-N	254.289	2.546	50	40	CFGB	
O=C(Cc1nc(CCl)cs1)NCc1ccccc1	12505495	CKGITUMKOXIMFA-UHFFFAOYSA-N	280.780	2.741	50	40	CFGB	
Cc1ccccc1C(=O)NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	103315405	SBRLUUCNISADGH-MELADBBJSA-N	286.375	2.582	50	40	CFGB	
O=S(=O)(N[C@@H]1CCCC[C@@H]1Cl)c1ccccc1	1643928	VHVYFYASSLVPSH-NWDGAFQWSA-N	273.785	2.515	50	40	CFGB	
Cc1ccc(O)c(/C=N\NC(=O)c2ccc(F)cc2)c1	4813982	UQOBWINZCVLORL-MFOYZWKCSA-N	272.279	2.604	50	40	CFGB	
CCCC(=O)Nc1ccc(NC(=O)CBr)cc1	35605280	MLRMVAXZHMACIG-UHFFFAOYSA-N	299.168	2.759	50	40	CFGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)o2)cc1	217440889	PVMZMVACGUKJSN-ZROIWOOFSA-N	296.326	2.820	50	40	CFGB	
CCCCCc1ccc(-c2ccc(B(O)O)s2)cc1	199487791	IFJVYGXDYDTHHM-UHFFFAOYSA-N	274.194	2.828	50	40	CFGB	
O=C(Cl)CCCS(=O)(=O)c1ccc(Cl)cc1	96025094	CQDAWSYWUVSKLM-UHFFFAOYSA-N	281.160	2.659	50	40	CFGB	
O=S(=O)(CCCl)c1cccc(C(F)(F)F)c1	161210	YUZZZNBYRRMSPV-UHFFFAOYSA-N	272.675	2.718	50	40	CFGB	
N[C@H](C#CCN(CCCl)CCCl)C1CCCCC1	1557548	MATNUQGOIDSTOE-CQSZACIVSA-N	291.266	2.677	50	40	CFGB	
O=C1c2cc(Cl)ccc2OC[C@@H]1Br	4419527	BGFRLRMAEAPKOY-ZETCQYMHSA-N	261.502	2.679	50	40	CFGB	
Cc1ccc(Sc2ccc(/C=N/NC(N)=O)o2)cc1	4510471	ZEWANPREDHATSL-OVCLIPMQSA-N	275.333	2.741	50	40	CFGB	
Cc1c(C(=O)Cl)sc2ncn(C(C)C)c(=O)c12	72193600	DIHINLGFLUZTAE-UHFFFAOYSA-N	270.741	2.726	50	40	CFGB	
Cc1ccc(N2CCCC2)c(NC(=O)CCl)c1	34776788	FFQVBSQVAFZICH-UHFFFAOYSA-N	252.745	2.773	50	40	CFGB	
CCOc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1	33303462	BZSQUJTVHJPSJP-AQTBWJFISA-N	282.343	2.778	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1	195751023	MGAMUWVLLJZDIS-BOPFTXTBSA-N	297.314	2.596	50	40	CFGB	
N#CSCC(=O)N1CCc2cc(Br)ccc21	98063974	CKMNOEMENWVNIQ-UHFFFAOYSA-N	297.177	2.552	50	40	CFGB	
COc1cccc(/C=N/NC(=O)c2ccccc2C)c1OC	5748343	TZAAJCSTTIZNMA-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
O=C(CSc1ccccn1)N/N=C/C=C/c1ccccc1	8643015	GTHBIDPZLIYMBG-PXYULHTISA-N	297.383	2.989	50	40	CFGB	
O=P(CSCCO)(c1ccccc1)c1ccccc1	1610939	GCGXQGBFXNWKCS-UHFFFAOYSA-N	292.340	2.684	50	40	CFGB	
O=C(N/N=C1/C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1O	103673097	MHJVLXOMOKAQLK-RWCXEDOJSA-N	278.739	2.951	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)c1c(C)nc2ccccn12	4113120	KZZGGYAIEWHFTF-CXUHLZMHSA-N	298.371	2.777	50	40	CFGB	
CC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccs1	5465636	WZAJBXIFHNZNGG-GFCCVEGCSA-N	276.386	2.963	50	40	CFGB	
CC(C)[C@H](Br)C(=O)N1C[C@H](C)C[C@@H](C)C1	19507996	NSMZGWTYMABJNA-MXWKQRLJSA-N	276.218	2.910	50	40	CFGB	in-vitro
CCOc1ccc2sc(NC(=O)CCl)nc2c1	72210126	VJNQBGQFPBGQHL-UHFFFAOYSA-N	270.741	2.872	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)Cc2cccs2)cc1	32576904	RQQJAOZFHQAXRV-GDNBJRDFSA-N	258.346	2.749	50	40	CFGB	
COc1cc([N+](=O)[O-])c(CBr)cc1F	98211541	HYEFCMJGHRVKLL-UHFFFAOYSA-N	264.050	2.637	50	40	CFGB	
I[C@@H]1CCOC2(CCC2)C1	86917532	YYOWWJSVJDZVDA-SSDOTTSWSA-N	252.095	2.523	50	40	CFGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccco2)cc1	8558623	JXCIDGDLBWPLJS-LICLKQGHSA-N	299.330	2.638	50	40	CFGB	
CCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1	2239512	MYMAJTPSLMFBOZ-LDADJPATSA-N	283.331	2.634	50	40	CFGB	
COc1ccc(-c2csc(NC(=O)CCl)n2)c(O)c1	4207343	XSKCWVQXTYHMOQ-UHFFFAOYSA-N	298.751	2.702	50	40	CFGB	
CC(=O)NNc1ncc(-c2ccc(Cl)cc2)s1	35587857	XAOSAYZEOJAWLI-UHFFFAOYSA-N	267.741	2.927	50	40	CFGB	
CN(Cc1ccccc1)C[C@@H]1CCCN(C(=O)CCl)C1	79414839	VHDHGEATWBJRCF-HNNXBMFYSA-N	294.826	2.596	50	40	CFGB	
O=C(CCl)N[C@H]1CCSc2ccc(F)cc21	37004103	CGSZOTDJZMECRA-VIFPVBQESA-N	259.733	2.718	50	40	CFGB	
CC(C)N(Cc1ccccc1)[C@@H]1CCN(C(=O)CCl)C1	79414961	NUQRDLGZWCECFM-OAHLLOKOSA-N	294.826	2.737	50	40	CFGB	
O=S(=O)(N[C@H]1CCCC[C@H]1Cl)c1ccccc1	1643925	VHVYFYASSLVPSH-NEPJUHHUSA-N	273.785	2.515	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2F)cc1	58884	RPYYMSKCJXWAKF-VXLYETTFSA-N	285.322	2.696	50	40	CFGB	
C[C@]12CCCC=C1NC(Cl)=C(C#N)C2(C#N)C#N	100236575	QTYBFLCHXJXBLX-LBPRGKRZSA-N	258.712	2.671	50	40	CFGB	
N#CC1=C(c2ccc(Br)cc2)NC(=O)CC1	1402650	CUKIHBHQNSPZBO-UHFFFAOYSA-N	277.121	2.594	50	40	CFGB	
COC(=O)N/N=C(\C)c1ccc(Br)s1	5620955	QDDMYBQCVWCPIJ-BJMVGYQFSA-N	277.143	2.591	50	40	CFGB	
O=C(N/N=C1\C[C@H]2CC[C@@H]1C2)c1ccc(Cl)cc1O	44790570	MHJVLXOMOKAQLK-YMTCZPAOSA-N	278.739	2.951	50	40	CFGB	
C[C@@H]1[C@@H](Br)C(O)=NC(=O)N1Cc1ccccc1	1683915	YCSSNQMQIYSIJL-PSASIEDQSA-N	297.152	2.731	50	40	CFGB	
CCOP(=O)(OCC)/C(C#N)=C/c1cnc(C)[nH]1	13215717	HVBAQAFOELFWMS-IZZDOVSWSA-N	269.241	2.849	50	40	CFGB	
N#CC(C#N)=C1c2ccccc2-c2c1nc1ccccc1[n+]2[O-]	780825	XDHMKOWGXLQYBZ-UHFFFAOYSA-N	296.289	2.698	50	40	CFGB	
ClCC[N+](CCCl)(CCCl)CCCl	2165519	NHGLISYPORTNHN-UHFFFAOYSA-N	268.035	2.758	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)[C@@H]1C[C@@H]2CC[C@@H]1C2	100062902	FENJDODVLIIMQQ-YULMVQMKSA-N	272.348	2.934	50	40	CFGB	
Cc1cc(C)n2nc(/C(C#N)=C/c3ccco3)c(C#N)c2n1	5212304	IJPHYDIJWJPWFO-KPKJPENVSA-N	289.298	2.875	50	40	CFGB	
O=C(N/N=C/c1ccccc1)c1cc(Cl)ccc1O	5870526	AUZYJFPXINQORF-CXUHLZMHSA-N	274.707	2.810	50	40	CFGB	
C/C(=N\NC(=O)c1cn(C)c2ccccc12)c1ccc[nH]1	7917384	ZDOFXTUGSNGLNV-WOJGMQOQSA-N	280.331	2.660	50	40	CFGB	
NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1	67299854	YPKFHONXPWGDOV-UHFFFAOYSA-N	270.210	2.569	50	40	CFGB	
CO[C@@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br	95630563	IYPLSDZKBBXDCH-AAVRWANBSA-N	296.208	2.669	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)s1)c1cccnc1	5676450	CPYDYJJAPJRHRX-VGOFMYFVSA-N	265.725	2.560	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2OC)cc1	5465388	ALNXJZXUIIHAOR-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2)c(O)c1	43446	WPPHCVKACZGLDW-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
C/C(=N/NC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1	228098	DMONONSLSRDILU-ZROIWOOFSA-N	289.316	2.810	50	40	CFGB	
Cn1cccc1/C=N/NC(=O)c1csc2c1CCCC2	370497	AABFNITXNDDFKT-CXUHLZMHSA-N	287.388	2.729	50	40	CFGB	
O=C(O)[C@H](Br)[C@H](Cl)c1ccccc1	1685706	WWFTTYIPIVLPFP-HTQZYQBOSA-N	263.518	2.815	50	40	CFGB	
C=CCS/C(=C(/C#N)C(N)=O)c1cc2c([nH]1)CCCC2	4893014	WAKYRMRFLKNIAH-KAMYIIQDSA-N	287.388	2.533	50	40	CFGB	
I[C@@H]1CCC[C@H]2CC[C@H]1O2	101043183	ZVJZYCQQROXHBI-XLPZGREQSA-N	252.095	2.522	50	40	CFGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccccc2O)c1	2176127	NYHOHUMXPSCSNT-LDADJPATSA-N	296.326	2.721	50	40	CFGB	
CC(=O)N/N=C/c1ccc(OC(C)C)c(Cl)c1	409012208	JRKKZXJLPHVWEE-VGOFMYFVSA-N	254.717	2.597	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2ccccc2)cc(C)c1O	6233173	KUTWDYXQNNOUNM-LICLKQGHSA-N	268.316	2.773	50	40	CFGB	
CCC/C(=N\NC(=O)C(O)(CC)CC)c1ccccc1	4837471	VNPJYSQFPZMTES-SAPNQHFASA-N	276.380	2.858	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)CC(C)(C)C)c(C)c1	12592664	KSJVUIGCLNCEBR-UHFFFAOYSA-N	262.353	2.501	50	40	CFGB	
CC(C)=NNC(=O)CSc1ccc(Cl)cc1	59383029	FYEUODGGPDABKO-UHFFFAOYSA-N	256.758	2.944	50	40	CFGB	
C/C(=N/NC(=O)c1ccccc1O)[C@H]1C[C@H]2CC[C@H]1C2	107926101	FENJDODVLIIMQQ-UUMQHJJASA-N	272.348	2.934	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccco2)c(C)c1	20194282	POOLBDUUSPDIDI-MHWRWJLKSA-N	256.305	2.589	50	40	CFGB	
CN(C)c1ccc(/C=C/C=N/NC(=O)c2ccncc2)cc1	5797708	XDGSNRUKXMMGFE-NOVSXIJHSA-N	294.358	2.577	50	40	CFGB	
CCOc1cc(C=C(C#N)C#N)c(Br)cc1O	6944137	DEPLAOPLIJZKAW-UHFFFAOYSA-N	293.120	2.984	50	40	CFGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccn1	408862462	ZBJJBQOUYIYYDE-VBEHJTROSA-N	299.399	2.854	50	40	CFGB	
COc1ccccc1C(=O)N/N=C\c1c[nH]c2ccccc12	73347549	NBSCXBJCCKOGPU-ODLFYWEKSA-N	293.326	2.940	50	40	CFGB	
N#C/C=C/S(=O)(=O)c1cccc(C(F)(F)F)c1	91351714	GUSPNHGJXQUXSG-QHHAFSJGSA-N	261.224	2.516	50	40	CFGB	
CCS(=O)(=O)[C@@H](Cl)C(=O)c1ccc(Cl)cc1	96517798	ASZBKAQJTUPVJA-SNVBAGLBSA-N	281.160	2.522	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1	101108464	KMOSZMOEOSCFRJ-UEUZIPNWSA-N	287.319	2.747	50	40	CFGB	
CNC(=S)P(c1ccccc1)c1ccccc1	1580247	VXOWWPGBXVOLTG-UHFFFAOYSA-N	259.314	2.624	50	40	CFGB	
C[C@@H]1CCC/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)C1	12403625	LNULKSJGQLMVAN-ABQLBJTMSA-N	275.308	2.891	50	40	CFGB	
COc1cc(N2CCCCC2)c([N+](=O)[O-])cc1C(=O)Cl	45957549	MLNIUUMJHCTLNS-UHFFFAOYSA-N	298.726	2.973	50	40	CFGB	
CSc1ccc(/C=N/NC(=O)c2ccco2)cc1	227776	BLSZOPICNFVFMO-NTEUORMPSA-N	260.318	2.765	50	40	CFGB	
C=CCc1cccc(/C=N/NC(=O)c2ccccc2O)c1O	262958	IPUFVLANGJVTHM-WOJGMQOQSA-N	296.326	2.590	50	40	CFGB	
C/C(=N/NC(=O)c1ccc(Br)cc1)C1CC1	343027	STXAUROAXZQELD-ZSOIEALJSA-N	281.153	2.965	50	40	CFGB	
Nc1ccccc1C(=O)N/N=C\c1ccccc1Cl	4773518	OEXMJSHKROJUOC-MFOYZWKCSA-N	273.723	2.686	50	40	CFGB	
Cc1[nH]c2ccc(C(=O)NNC(=O)CC(C)C)cc2c1C	8734023	UMPMUZXQBXHUNE-UHFFFAOYSA-N	287.363	2.592	50	40	CFGB	
COc1ccc(Cl)cc1/C=C(/C#N)c1n[nH]c(N)c1C#N	4067327	YCXVTYMGUWTROH-WTKPLQERSA-N	299.721	2.590	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2/CCCC[C@@H]2C)c1O	32577540	BDDRQKOODRPXJV-VQZCRYCJSA-N	260.337	2.997	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/[C@H]2C[C@@H]3C=C[C@H]2C3)cc1	5916984	HHDYTLZRTTYXIY-IICUWRIQSA-N	284.359	2.552	50	40	CFGB	
CCCc1ccc(OCC(=O)N/N=C/c2cccnc2)cc1	222304	XDBMWYCVLRODCP-XDHOZWIPSA-N	297.358	2.563	50	40	CFGB	
Cc1ccc(C)c(NC(=S)NNC(=O)CC(C)C)c1	2783559	XFZTUCZIROQWGJ-UHFFFAOYSA-N	279.409	2.667	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1C)c1ccccn1	5620123	AWKVQNUDLPPNMV-SFQUDFHCSA-N	253.305	2.544	50	40	CFGB	
O=C(N/N=C/c1ccccc1F)c1cc(Cl)ccc1O	5678707	ISUOTEUDDGGOSA-CAOOACKPSA-N	292.697	2.949	50	40	CFGB	
CCc1ccc(CC(=O)N/N=C\c2ccccc2O)cc1	409364165	NGGWBRDONVMTAK-PDGQHHTCSA-N	282.343	2.647	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccco2)cc1C	408566140	DMRDQOHVONCWAT-MHWRWJLKSA-N	256.305	2.589	50	40	CFGB	
CN(C[C@H]1CCCN(Cc2ccccc2)C1)C(=O)CCl	79393687	CAJHOOOVBLVYBO-OAHLLOKOSA-N	294.826	2.596	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	194535256	HTWRRYUJDMBDPD-FMIVXFBMSA-N	252.273	2.600	50	40	CFGB	
O=C(CBr)c1cccc2cccnc12	15022146	NCVOFLIRNPFPSE-UHFFFAOYSA-N	250.095	2.812	50	40	CFGB	
CCC(/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1)CC	17158855	VSKNYMJHMKXCLE-ZROIWOOFSA-N	263.297	2.747	50	40	CFGB	
O=C(N/N=C/c1cc(Cl)ccc1[N+](=O)[O-])c1ccco1	17421013	UAYCQKYHXREZLT-VGOFMYFVSA-N	293.666	2.605	50	40	CFGB	
CC(C)(C)OC(=O)N1[C@H](CBr)C[C@H]2C[C@H]21	952958961	MBVGCPYCPWCIAS-XHNCKOQMSA-N	276.174	2.779	50	40	CFGB	
CCOP(=O)(OCC)/C(C#N)=C\c1cn(C)cn1	8651861	FYKWGDXHIJLWPY-WDZFZDKYSA-N	269.241	2.551	50	40	CFGB	
C[C@H]1COCCN1C(=O)CCCC[C@H]1CCSS1	47508854	UFZLEFDAZQEDRM-RYUDHWBXSA-N	289.466	2.948	50	40	CFGB	
C/C(=N\NC(=O)CSc1ccc(C)cc1)c1ccc[nH]1	58674986	RMTYDYQXHDICJN-SFQUDFHCSA-N	287.388	2.956	50	40	CFGB	
CCC(C)(C)NC(=O)[C@H](Br)C(C)C	19441756	PWUHPOWMNGWAGF-MRVPVSSYSA-N	250.180	2.711	50	40	CFGB	in-vitro
CCOC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)cc1	5728068	BVEBXRDMZTTXKV-WQLSENKSSA-N	297.314	2.555	50	40	CFGB	
O=C(CCl)Nc1ccccc1NC(=O)c1ccccn1	44831485	NJRWNXSOMGZCJK-UHFFFAOYSA-N	289.722	2.511	50	40	CFGB	
CCO/C=C1\N=C([C@H](Cl)c2ccccc2)OC1=O	17197400	UCDJNAAUMIQNQM-HIJJYWJESA-N	265.696	2.800	50	40	CFGB	
COc1ccccc1C(=O)N/N=C/c1ccsc1	6248880	QVOFTYJFWXKRSW-RIYZIHGNSA-N	260.318	2.521	50	40	CFGB	
CCCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	1956856	KALGITLNSOEQSV-GXDHUFHOSA-N	263.297	2.625	50	40	CFGB	
CCc1nc(/C(C#N)=C/c2cnn(C)c2)sc1C	48628022	MNTGLRRYUIQRNZ-VZUCSPMQSA-N	258.350	2.812	50	40	CFGB	
CN(NC(=O)Nc1ccccc1F)c1ccccc1	16188796	FFTONIIRDDZOCK-UHFFFAOYSA-N	259.284	2.999	50	40	CFGB	
CCN1C(=O)C(=C(C#N)C#N)c2cc(Cl)ccc21	1320723	UEUPHRKHMYRQEN-UHFFFAOYSA-N	257.680	2.507	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)n1	2744579	HJJUQDIIQMBXNL-CXUHLZMHSA-N	273.723	2.807	50	40	CFGB	
CC1(C)CC(=O)C(C#N)=C(NCc2ccccc2)C1	101416599	ZDLJKMJVMQHSQL-UHFFFAOYSA-N	254.333	2.943	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2sc(C)nc2C)cc1	3173632	GFMOWRKGOXSSSO-OVCLIPMQSA-N	289.360	2.532	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)s1	107342190	WSKBYQQAPHYJKB-SRVKXCTJSA-N	292.404	2.644	50	40	CFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccc(Br)o1	4646727	WRCBFCPBMKOYPQ-JGVIHWSLSA-N	295.136	2.724	50	40	CFGB	
O=[N+]([O-])/C=C/c1ccccc1CCBr	36428277	FCPRCFFVLWHIBS-SOFGYWHQSA-N	256.099	2.871	50	40	CFGB	
O=C(CCl)Nc1ccc2[nH]c(C(F)(F)F)nc2c1	5687392	JAAQGVSKJAZHKT-UHFFFAOYSA-N	277.633	2.759	50	40	CFGB	
O=C(N/N=C/c1cccs1)c1c[nH]c2ccccc12	318092	BRYDGNJSVIMVRM-LZYBPNLTSA-N	269.329	2.993	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1OC	587850	TUZINYNEFCTGOL-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2	6674819	XDPPCTMAQNJOHG-OQLLNIDSSA-N	278.308	2.664	50	40	CFGB	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)NC1CCCC1	54841884	FJUABGWOAOWUGG-ZROIWOOFSA-N	265.316	2.524	50	40	CFGB	
COCCNC(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	3256588	KTVMLSKXYPUQCU-VQHVLOKHSA-N	299.157	2.663	50	40	CFGB	
COc1ccc(/C=C/C(=O)N/N=C/c2ccccc2O)cc1	409055123	CUIHWYYWKLGMCO-BUJDNCMTSA-N	296.326	2.564	50	40	CFGB	
COc1ccc(/C=N\NC(=O)COc2ccc(C)cc2)cc1	32116998	GYSPJBPZAOLIEX-WQRHYEAKSA-N	298.342	2.533	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(O)cc1)[C@@H]1C[C@H]2CC[C@@H]1C2	5725361	PCNFIBVMSMWWPY-VIKFZNAYSA-N	272.348	2.934	50	40	CFGB	
O=C(N/N=C/c1ccc2c(c1)CCC2)c1ccccc1	1601750	QOPYMUWTUVPHJA-LDADJPATSA-N	264.328	2.939	50	40	CFGB	
CCOC(=O)[C@H](Cl)c1cccc(OC)c1OC	1706057	TWDQFNWHHWLOIZ-SNVBAGLBSA-N	258.701	2.547	50	40	CFGB	
CCO/C=N\C1=C(C#N)CN(Cc2ccccc2)CC1	104187802	UIAQSYUPOHHEQV-AQTBWJFISA-N	269.348	2.735	50	40	CFGB	
COc1ccccc1/C=C\C=N\NC(=O)c1cccnc1	13894580	BENKIWKSMSTNLN-FBNMAYGTSA-N	281.315	2.519	50	40	CFGB	
C/C(CCc1ccccc1)=N/NC(=O)c1ccncc1	5381347	PMFUUBIYXBDSFI-AQTBWJFISA-N	267.332	2.820	50	40	CFGB	
CN(C)c1ccc(/C=N\NC(=O)Nc2ccccc2)o1	408999035	VWPCWMNTVSCLIV-GDNBJRDFSA-N	272.308	2.501	50	40	CFGB	
CCOc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)CC)c1	408809309	NTUXOWBOVAHQRU-IGVUGNCQSA-N	272.348	2.907	50	40	CFGB	
C[C@@H]1CC[C@H]2c3c(nc(CCl)[nH]c3=O)S[C@@H]2C1	71981128	WVSFLXFOASPUSP-BWZBUEFSSA-N	270.785	2.887	50	40	CFGB	
O=C(Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1	40544643	CPGNEDNZNOBURN-UHFFFAOYSA-N	268.700	2.964	50	40	CFGB	
N#C/C(=C\c1ccccc1)C(=O)NCCc1ccccc1	5773133	ZSGHFKGYQYRZGD-GHRIWEEISA-N	276.339	2.952	50	40	CFGB	
Cc1cccc(N[C@H]2SC(=O)N(CCCl)C2=O)c1	12113049	ZBFZWRWFDJEFKM-JTQLQIEISA-N	284.768	2.667	50	40	CFGB	
O=C(NNC(=O)c1ccc(Cl)s1)Nc1ccccc1	6936084	IWIUKYWCOQSCNJ-UHFFFAOYSA-N	295.751	2.868	50	40	CFGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1F	36224008	UCUYDNYPIWMMHO-ZDLGFXPLSA-N	274.270	2.658	50	40	CFGB	
COc1cc(Cl)ccc1C(=O)CBr	84192560	FDGIQMRTLABTHW-UHFFFAOYSA-N	263.518	2.926	50	40	CFGB	
COc1ccc(C(=O)N(CCCl)CCCl)cc1	1698510	LCAGACBGKWMTHY-UHFFFAOYSA-N	276.163	2.615	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)c1cccc(N(C)C)c1	1005656	WJKPMYJUXGJPTR-MHWRWJLKSA-N	287.388	2.886	50	40	CFGB	
O=C(NN=C1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1	512684	XXHMKXMIOXBYOL-UHFFFAOYSA-N	281.699	2.908	50	40	CFGB	
CCC[C@H](OC(=O)CCl)[C@@H](CC)COC(=O)CCl	1687395	VKJPFWKYQBHZSI-UWVGGRQHSA-N	299.194	2.745	50	40	CFGB	
O=C(NNC(=O)C1CCCCC1)c1c[nH]c2ccccc12	22248548	UDYPZKQAZRSMMU-UHFFFAOYSA-N	285.347	2.509	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)c1ccc(F)cc1	13842678	ONIYHDGYYKMHBZ-LICLKQGHSA-N	272.279	2.685	50	40	CFGB	
C/C(=N\NC(=O)c1ccoc1C)c1ccc(C(=O)O)s1	5697218	FDOBOZUHARSUHV-VGOFMYFVSA-N	292.316	2.502	50	40	CFGB	
O=C(Cl)c1cc(Cl)c(Cl)c(-n2cnnc2)c1	70461728	DMFUSORGPHLIMI-UHFFFAOYSA-N	276.510	2.953	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1	30822001	QFWRYFMWMOURFP-YVLHZVERSA-N	256.280	2.898	50	40	CFGB	
N#CC1=C2CCCC[C@@H]2[C@H](c2ccco2)C(C#N)(C#N)C1=O	28106	COJLHLOWBGORHD-SWLSCSKDSA-N	291.310	2.990	50	40	CFGB	
CCOC(=O)[C@H](Br)C1CCC(F)CC1	1857794131	UJXNJWLWBJQIAN-AMDVSUOASA-N	267.138	2.841	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1ccnc2ccccc12	8651975	NHAQXIGAEKRJQM-XFXZXTDPSA-N	252.273	2.705	50	40	CFGB	
CC1(C)CC(=O)C/C(=N\NC(=O)C2[C@H]3CCCC[C@H]23)C1	100506201	PPMVTAATPZLMJM-AHTQIVJMSA-N	276.380	2.674	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(C)c(OC)c1	408807443	CMFKNIVIRNYJGB-ACLQVGRQSA-N	272.348	2.825	50	40	CFGB	
NNC(=O)/C=C/c1ccc(F)c(Oc2ccccc2)c1	216863124	RWMFOBOUNTWIID-VQHVLOKHSA-N	272.279	2.621	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(C)nc1)c1ccc(C)cc1	48719523	YIYNWUQGHLPIQC-QGOAFFKASA-N	267.332	2.852	50	40	CFGB	
C/C(=N/NC(=O)c1ccccn1)c1ccccc1Cl	13687813	DNHZGGKXEPDSDL-YVLHZVERSA-N	273.723	2.889	50	40	CFGB	
CC1(C)CC(O)=C/C(=N\NC(=O)COc2ccccc2)C1	100855537	SQZAZHCOFRGRDK-SFQUDFHCSA-N	288.347	2.800	50	40	CFGB	
CSC1=C(C#N)[C@@H](c2ccco2)C(C(C)=O)=C(C)N1	12250622	OBKXNKXYESSYJU-ZDUSSCGKSA-N	274.345	2.928	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2\C[C@@H]3CC[C@@H]2C3)c1O	102334259	RNHVRARFPRPHMP-JYVUULFMSA-N	258.321	2.606	50	40	CFGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccccn1	3250830	RGYNONXFCPUILP-DJKKODMXSA-N	293.248	2.864	50	40	CFGB	
COc1cccc2cc(/C(C)=N/NC(=O)C3CC3)oc12	8104405	BEOGETUVIURPDN-CXUHLZMHSA-N	272.304	2.692	50	40	CFGB	
C/C(=N\NC(=O)COc1c(C)cccc1C)c1ccncc1	8497082	MIHLUIUMGLMWLY-XMHGGMMESA-N	297.358	2.618	50	40	CFGB	
CCOC(=O)/C(C#N)=C(\C)c1ccc(OCC)cc1	256051056	HNQXRHPQVALUOW-SDNWHVSQSA-N	259.305	2.945	50	40	CFGB	
O=C(CCl)C1CCN(C(=O)OCc2ccccc2)CC1	164924521	BTFDQROQQVEQQD-UHFFFAOYSA-N	295.766	2.843	50	40	CFGB	
COC(=O)/C(C#N)=C\c1ccc(Br)cc1	6126106	PDCJTVLFFQUQGC-TWGQIWQCSA-N	266.094	2.529	50	40	CFGB	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)Nc1ccc(O)cc1	6251260	BOHUFMUOIBSKQB-ZROIWOOFSA-N	289.294	2.810	50	40	CFGB	
C/C(O)=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	100095731	UJBZHNQIBVHDDU-JXMROGBWSA-N	270.210	2.999	50	40	CFGB	
Cc1ccsc1C(=O)NNc1ccc(F)cc1	45971416	MOUUQRQYKXVGIA-UHFFFAOYSA-N	250.298	2.953	50	40	CFGB	
CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)Cl	68575833	VZZFKEVQOJQAPS-ZETCQYMHSA-N	275.757	2.799	50	40	CFGB	in-vitro
COc1ccccc1/C=N\NC(=O)c1ccc(C)cc1	33319267	OQPLVQRJZGMDOJ-BOPFTXTBSA-N	268.316	2.768	50	40	CFGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1ccc(O)cc1	257346719	DBDYIVALDDTKPD-DUVDDBFMSA-N	272.348	2.669	50	40	CFGB	
CCCCC(=O)NN(CC)c1cc(C)c(C#N)c(Cl)n1	12419588	KDZZJHWGNPWIGD-UHFFFAOYSA-N	294.786	2.963	50	40	CFGB	
Cc1cc(C(=O)NN)c(C)n1-c1cccc2ccccc12	223717330	CFMFLBMNZHUAGV-UHFFFAOYSA-N	279.343	2.851	50	40	CFGB	
C/C(=N/NC(=O)c1ccc2[nH]cnc2c1)c1ccc(F)cc1	551993	TWZXIGFOZOVRIT-JMIUGGIZSA-N	296.305	2.856	50	40	CFGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccncc2)C(C#N)=C(N)O1	351028	RADYSNNCVSUORP-CYBMUJFWSA-N	280.331	2.713	50	40	CFGB	
Cc1ccc(NC(=S)NNC(=O)c2ccc(C)cc2)cc1	2684464	PHSYNJVQICZYLK-UHFFFAOYSA-N	299.399	2.935	50	40	CFGB	
Cc1cccc(NC(=S)NNC(=O)CC(C)C)c1C	2784560	OZMBRLPRGQOKQM-UHFFFAOYSA-N	279.409	2.667	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2)c1C	4211758	ABFUSBPZYZFLIN-GXDHUFHOSA-N	295.342	2.959	50	40	CFGB	
Cc1ccc2nc(C)c(C(=O)NN=C3CCCC3)n2c1	408981989	XCJSHMJBLBJDBP-UHFFFAOYSA-N	270.336	2.611	50	40	CFGB	
O=C(CBr)c1ccccc1OCC(F)F	169795962	ZKGUYPRXFLGXIR-UHFFFAOYSA-N	279.080	2.908	50	40	CFGB	
COc1ccc(C[N@]2C[C@@]2(C)CBr)cc1	1857622561	GWZBGTBZXJLPDO-TZMCWYRMSA-N	270.170	2.664	50	40	CFGB	
C/C=C/CCCCC(=O)[C@H](C)C(=O)N1CC[C@H](Cl)C1=O	1772591344	UMHAEHDRWGBOTH-QSKOYVBTSA-N	299.798	2.694	50	40	CFGB	
C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1cccs1	12362207	OOUGHMIHUKRPAE-DHDCSXOGSA-N	288.328	2.631	50	40	CFGB	
O=C(NNc1ccccc1)Nc1ccc2nsnc2c1	205157	BIJWLCDAVHBLIG-UHFFFAOYSA-N	285.332	2.840	50	40	CFGB	
CC(C)=NNC(=O)c1ccc(Br)cc1	267382	ACUGVEZGJQDKJR-UHFFFAOYSA-N	255.115	2.575	50	40	CFGB	
O=C(O)[C@H](c1ccccc1)[C@](O)(CCl)c1ccccc1	1593513	PQOAUXGNUMAXPW-HOCLYGCPSA-N	290.746	2.981	50	40	CFGB	
O=C(NCCBr)Nc1cnc2ccccc2c1	1722365	ZUHGIGGUXHGISE-UHFFFAOYSA-N	294.152	2.751	50	40	CFGB	
COc1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1	409380282	BBSQDCOQEZFTCI-GDNBJRDFSA-N	295.342	2.791	50	40	CFGB	
CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)C2CCCC2)C1(C)C	48482272	IWBNOSHVEAPYQC-STQMWFEESA-N	278.396	2.562	50	40	CFGB	
C/C(=N/NC(=O)c1ccccc1O)c1ccc(C)s1	5618558	SULFQGFMGDHDGC-GDNBJRDFSA-N	274.345	2.916	50	40	CFGB	
Cc1occc1C(=O)NNC(=O)c1ccc(C(C)C)cc1	8351170	DZXQDYNKELRVIK-UHFFFAOYSA-N	286.331	2.786	50	40	CFGB	
C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccccc1F	243868	SJBQEMXIUREAIK-HWQJWEFDSA-N	286.306	2.743	50	40	CFGB	
CC(=O)O[C@@H]1C[C@H]2[C@H]([C@H]3CC[C@@H]2C3)[C@@H]1Br	4934315	AFUCICOSIKAOHN-IXXAWXHISA-N	273.170	2.748	50	40	CFGB	
Fc1cnc(Cl)nc1NCCCCBr	953064935	ULNHSXHJBMEJBR-UHFFFAOYSA-N	282.544	2.856	50	40	CFGB	
CCOC(=O)Cc1cccc(CBr)c1	39021916	VZARWHJHIUIKHF-UHFFFAOYSA-N	257.127	2.687	50	40	CFGB	
COc1ccc(N(Cc2cccnc2)C(=O)CCl)cc1	199756598	WKZVLFZNBIJHQE-UHFFFAOYSA-N	290.750	2.862	50	40	CFGB	
CCOC(=O)NNC(=O)Nc1cccc2ccccc12	11006547	QEFIOPPGYUIMLR-UHFFFAOYSA-N	273.292	2.622	50	40	CFGB	
Cc1cc(C)cc(NC(=S)NNC(=O)CC(C)C)c1	2784089	DJFPGGFFBURBCB-UHFFFAOYSA-N	279.409	2.667	50	40	CFGB	
Cc1ccc(-c2cc(NC(=O)CCl)on2)cc1	3357002	CJEVXSPSAAIOBM-UHFFFAOYSA-N	250.685	2.827	50	40	CFGB	
CC[C@H](C(=O)NNC(=O)c1ccccc1)c1ccccc1	36685265	QDSUGTUZNKQWRL-HNNXBMFYSA-N	282.343	2.641	50	40	CFGB	
CCSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1	409125968	KWJJPDOUNVSBMU-QMMMGPOBSA-N	264.375	2.840	50	40	CFGB	
O=CNNC(=S)Nc1ccc(C2CC2)c2ccccc12	221167683	HGCUOCICQCDBJN-UHFFFAOYSA-N	285.372	2.665	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/c2sccc2C)cc1	68610	MZYXGPPCXRISOI-MHWRWJLKSA-N	288.372	2.758	50	40	CFGB	
COc1ccccc1/C=C(/C#N)C(=O)NCc1ccccc1	5721123	ZRIXSSXZWIASOB-WJDWOHSUSA-N	292.338	2.919	50	40	CFGB	
CC1=C(C#N)C(c2cc([N+](=O)[O-])ccc2O)C(C#N)=C(C)N1	19681228	YUUUTJFLBHHFHS-UHFFFAOYSA-N	296.286	2.582	50	40	CFGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccccn2)c1	6569569	YKYJKSQAZZNAQK-XFXZXTDPSA-N	279.299	2.636	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OC)cc2)cc1	5247645	WDIFJSIHAXUURA-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
COc1ccc(C(=O)OCCCCCl)cc1OC	15119266	VDKIZIBOFDIQRW-UHFFFAOYSA-N	272.728	2.880	50	40	CFGB	
C/C(=N\NC(=O)c1cccs1)c1ccc(C(=O)O)s1	373143	GOCYXRBEEYOZTK-NTUHNPAUSA-N	294.357	2.662	50	40	CFGB	
CC/C(C)=N/NC(=O)c1ccc(Br)o1	482725	GIJWPWOFVZMKCF-IZZDOVSWSA-N	259.103	2.558	50	40	CFGB	
C[C@]1(Cc2ccccc2)CCCC/C1=N\NC(N)=O	17376819	DVBLNGOZMQFTGF-OVGFGYAMSA-N	259.353	2.834	50	40	CFGB	
Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1O2	1870339	XMQJFASSDPCFTG-UHFFFAOYSA-N	260.229	2.630	50	40	CFGB	
CC(C)(C)C(=O)NCc1ccc(C(=O)CCl)s1	3440420	YNZOBMUDBJQAJA-UHFFFAOYSA-N	273.785	2.832	50	40	CFGB	
O=C(CCl)NN(Cc1ccccc1)c1ccccc1	4219011	PAYXMJQZBOZSAA-UHFFFAOYSA-N	274.751	2.963	50	40	CFGB	
CCCN1CCC(=NNC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1	5468403	CSPPEQXRIMOTOX-DLBZAZTESA-N	299.418	2.768	50	40	CFGB	
COC(=O)c1c(NC(=O)CCCl)sc2c1CCC2	5526387	OMCRFVOYMSUXGQ-UHFFFAOYSA-N	287.768	2.591	50	40	CFGB	in-vitro
Cc1cc(C(=O)N/N=C/[C@@H]2CC=CCC2)ccc1[N+](=O)[O-]	5536413	XBZXWOHSGFRPCO-HMHNVIDESA-N	287.319	2.975	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@@]21C	408880462	JEMIEYGGTFJILT-RVQBQFDZSA-N	286.375	2.972	50	40	CFGB	
Cc1cc(N)nc(SCCCCBr)n1	71775398	ANXBIXDLLJDRJO-UHFFFAOYSA-N	276.203	2.634	50	40	CFGB	
FC(F)(F)Sc1ccc(CBr)nn1	95918439	ULYSACOVWGOBIY-UHFFFAOYSA-N	273.077	2.983	50	40	CFGB	
CCN1c2ccc(/C=N/NC(N)=O)cc2C(C)=CC1(C)C	208506666	AMSBCKUKDUUMBI-VCHYOVAHSA-N	286.379	2.711	50	40	CFGB	
CC/C(=N\NC(N)=O)[C@H](CC)c1ccc(OC)cc1	13403419	VHIYOUYFUXZOFU-SIOXIVGBSA-N	263.341	2.623	50	40	CFGB	
COc1ccc(NC(=O)CCCCl)c([N+](=O)[O-])c1	6127458	ZETRHGSNVSDNPG-UHFFFAOYSA-N	272.688	2.561	50	40	CFGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccnc1	1803219	NSXMQYFFOLZKDJ-KPKJPENVSA-N	294.270	2.535	50	40	CFGB	
Cc1ccc(Cn2cc(C(=O)NN)c3ccccc32)cc1	216947326	MEAVJIJLZPJGRU-UHFFFAOYSA-N	279.343	2.602	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)cc1	46705545	MAKCFRLBSOVTOS-GJSJWPQCSA-N	258.321	2.517	50	40	CFGB	
COc1cccc(C(=O)NC(C#N)=C(Cl)Cl)c1	96346694	ZFBWNCQGPVQCTR-UHFFFAOYSA-N	271.103	2.595	50	40	CFGB	
C[C@@]1(CBr)[C@H]2CC[C@@]1(C)C1(C2)OCCO1	100015351	ZFQSVMJONXGVIO-HBNTYKKESA-N	275.186	2.951	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1ccccc1OC(C)C	6940074	GRGYOHKDGLZPOM-LCYFTJDESA-N	259.305	2.944	50	40	CFGB	
O=C(N/N=C1/C[C@H]2CC[C@@H]1C2)c1ccc(Br)o1	5171595	ROKUKPSEVFONKG-IMWXMBRVSA-N	297.152	2.948	50	40	CFGB	
CCOc1ccc(CNNC(=O)c2ccccc2)cc1	10434522	CMAGITPPUGBBOX-UHFFFAOYSA-N	270.332	2.520	50	40	CFGB	
CCn1cc(/C=C(/C#N)C(=O)N(C)C)c2ccccc21	59334600	ICPPLNSYCMJQDY-XFXZXTDPSA-N	267.332	2.656	50	40	CFGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cccnc1	103706724	UXLGYVGDTYIWAH-ZDLGFXPLSA-N	278.315	2.635	50	40	CFGB	
O=c1c2ccccc2cnn1Cc1nc(CCl)cs1	36805480	SRCGIMZGTMQTHI-UHFFFAOYSA-N	291.763	2.640	50	40	CFGB	
N#C/C(=C/c1ccc2c(c1)OCCO2)c1ccccn1	6403038	KTGKYIXRSKLNLT-LCYFTJDESA-N	264.284	2.917	50	40	CFGB	
CCCCOC(=O)c1cccc(NC(=O)CCl)c1	5420071	CXPOSCZVSQROQS-UHFFFAOYSA-N	269.728	2.821	50	40	CFGB	
C=CCc1cc(/C=N/NC(C)=O)cc(OCC)c1OCC	409019455	JKGGDHFXJHDLAB-GZTJUZNOSA-N	290.363	2.683	50	40	CFGB	
O=C(NNc1ccccc1)c1cc2c(s1)CCC2	120448464	XWYNRIVMDWGFKV-UHFFFAOYSA-N	258.346	2.994	50	40	CFGB	
CCNC(=S)NC1=C(C#N)[C@@H]2CCCC[C@H]2S1	4293408	HEQZSRFBXFGMFH-WCBMZHEXSA-N	267.423	2.511	50	40	CFGB	biogenic
N#C/C(=C\c1cccs1)C(=O)Nc1ccc(O)cc1	16430432	ZMHWQVLSTZXCTI-CSKARUKUSA-N	270.313	2.999	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(C)c1O	6202668	IUFPQQXNCYPWDM-GIJQJNRQSA-N	286.306	2.912	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)o1	5535053	RJTBTWJQVJQZGT-MMQKMFQISA-N	289.379	2.622	50	40	CFGB	
CCCCCCNC(=O)/C(C#N)=C/c1ccccn1	2744236	AFXHLZHDCPWUKZ-ACCUITESSA-N	257.337	2.685	50	40	CFGB	
COc1ccccc1[C@@H]1C(C#N)=C(SC)N=C(O)[C@H]1C#N	80981	UUKFZGULEZTPDN-GWCFXTLKSA-N	299.355	2.987	50	40	CFGB	
C[C@](O)(c1ccccc1)[C@H](CCl)N1CCCCC1	1754423	WLVDUDMXGSZKDF-GJZGRUSLSA-N	267.800	2.987	50	40	CFGB	
CCCCCSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1	3619009	AZKASOGCWJDADQ-SNVBAGLBSA-N	277.393	2.941	50	40	CFGB	
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(O)cc1O	12362506	SCNBPIWTLJANLC-OIQWCEHOSA-N	296.326	2.917	50	40	CFGB	biogenic
COC(=O)c1cc(CCl)c(CBr)o1	59272923	PNOSOFQVIWIJFF-UHFFFAOYSA-N	267.506	2.700	50	40	CFGB	
CO[C@@H](C(=O)N/N=C/c1sccc1C)c1ccccc1	58915886	VQVFPGQWSRQBBF-DWKHYPNZSA-N	288.372	2.894	50	40	CFGB	
O=C(O)C12C[C@@H]3CC(C[C@@H](C3)C1)[C@@H]2Br	108424427	WHNYCVXNHIOFPE-FNPGPVBOSA-N	259.143	2.661	50	40	CFGB	
N#CC(C#N)=C1C=C2C=C(N3CCOCC3)CC[C@@H]2CC1	58158329	OTNNJFVMASNJEJ-ZDUSSCGKSA-N	281.359	2.676	50	40	CFGB	
O=C(NNc1ccc(F)c(F)c1F)Nc1ccccn1	58297911	GQHKSGCGHSYSEE-UHFFFAOYSA-N	282.225	2.648	50	40	CFGB	
COc1ccc(Cl)cc1C(=O)N/N=C(C)/C=C(/C)O	102208653	SVBRRWNYEDXYMI-OZMZIGFISA-N	282.727	2.916	50	40	CFGB	
Fc1cc(F)cc(C2=NO[C@@H](CBr)C2)c1	217843927	ICOHDUKUOMNMSF-SECBINFHSA-N	276.080	2.853	50	40	CFGB	
Cc1cc(C(=O)NN)c(C)n1-c1ccc(C(C)C)cc1	223709160	IWUFKABYBMVJHG-UHFFFAOYSA-N	271.364	2.821	50	40	CFGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccco1	41820	CSGSFXSMWCBTGS-CXUHLZMHSA-N	267.288	2.833	50	40	CFGB	
O=C(NCCBr)Nc1cccc(Cl)c1	16398975	IXKPJYPCZVCFCN-UHFFFAOYSA-N	277.549	2.856	50	40	CFGB	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1	143857	NSONTIAWXSGEJI-SDNWHVSQSA-N	270.332	2.615	50	40	CFGB	
C/C(=N\NC(=O)c1csc(C)c1)c1cc(O)ccc1O	13321856	IQPLHQCLJUTLKO-OQLLNIDSSA-N	290.344	2.622	50	40	CFGB	
CCCCC(=O)N/N=C/c1cc(Cl)ccc1[N+](=O)[O-]	1704803	WJOOREFEPFFAMB-RIYZIHGNSA-N	283.715	2.889	50	40	CFGB	
O=C(NN=C1CCN(C2CCCC2)CC1)NC1CCCC1	65672013	ICVNUNLFKKMOMU-UHFFFAOYSA-N	292.427	2.623	50	40	CFGB	
O=C1[C@@H](Br)SC(=S)N1c1ccccc1	2556078	QWHGNRKVCULNMT-ZETCQYMHSA-N	288.191	2.772	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2OC)cc1	5382085	GVVXXPCJBGUBRY-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	1691282	HQRCXANPDFUQGC-UHFFFAOYSA-N	288.215	2.722	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)OCO2	998948	UVDLSJWAMABVIP-CZURIODESA-N	286.331	2.567	50	40	CFGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ccccn1	12476286	WQKPGXDCYDSBOD-CSKARUKUSA-N	255.302	2.689	50	40	CFGB	
CCSC1=C(C#N)[C@H](c2ccccc2)C(C#N)=C(N)N1	14671774	YYNSAFZKYCZTGK-CYBMUJFWSA-N	282.372	2.556	50	40	CFGB	
CNC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	4705377	JPYXITNLEVEVAL-FLIBITNWSA-N	270.263	2.739	50	40	CFGB	
O=C(N/N=C/c1ccccc1Br)C1CCC1	17008460	DNWFFTYXNQHBOF-RIYZIHGNSA-N	281.153	2.699	50	40	CFGB	
O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1ccncc1	31816173	UNITXRAYZDCKIU-OCKHKDLRSA-N	293.248	2.864	50	40	CFGB	
NNC(=O)c1ccccc1-c1nc2ccc(F)cc2s1	45923279	PCXRUKPYWTYOIH-UHFFFAOYSA-N	287.319	2.706	50	40	CFGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N/N=C\N(C)C	5065312	HQSDMDPBSJPNOS-UFZUMMRWSA-N	269.389	2.678	50	40	CFGB	
O=C(Cl)c1sc(Br)c2c1OCCO2	12370578	JUWLFXZZOQUASX-UHFFFAOYSA-N	283.530	2.661	50	40	CFGB	
IC[C@H]1COc2ccccc21	14982675	XGYVNSZLKXZJCL-ZETCQYMHSA-N	260.074	2.598	50	40	CFGB	
O=C(N/N=C/c1cccc2cccnc12)c1ccccc1O	5577416	PFABDVUEADHXQA-YBFXNURJSA-N	291.310	2.704	50	40	CFGB	
CCCC(O)(CCC)C(=O)NNc1ccc(C)cc1	175566	AZMVALHWGLKTBX-UHFFFAOYSA-N	264.369	2.769	50	40	CFGB	
CCC(CC)C(=O)N[C@H](O)C(Cl)(Cl)[C@@H](C)Cl	1594974	CWXZXUVFQFMCGG-HZGVNTEJSA-N	290.618	2.658	50	40	CFGB	
C/C(CCc1ccccc1)=N\NC(=O)c1cccnc1	7931501	OWWUCQYJFJHGKY-QGOAFFKASA-N	267.332	2.820	50	40	CFGB	
CC(C)NC(=O)CC(=O)NN=C1CCC(C(C)(C)C)CC1	59435605	ATSNPPPZZFJYBT-UHFFFAOYSA-N	295.427	2.610	50	40	CFGB	
CC/C(=N\NC(=O)C1CC1)c1ccc(Cl)cc1	5384859	CSKPMNMZKOLUKK-NTCAYCPXSA-N	250.729	2.980	50	40	CFGB	
C/C(=N/NC(=O)c1ccc(F)cc1)c1ccccc1O	5369704	YROODODFINNAQU-YVLHZVERSA-N	272.279	2.685	50	40	CFGB	
CC/C(C)=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	5633663	VUKHPNKYUYJHAD-XMHGGMMESA-N	296.370	2.825	50	40	CFGB	
O=C(N/N=C/c1ccc(O)cc1)c1cc2ccccc2[nH]1	493863	SCLFZAPTLAZAEI-LICLKQGHSA-N	279.299	2.637	50	40	CFGB	
COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2ccco2)c1	1673108	QAYDGWQQJRBRSF-DHZHZOJOSA-N	298.298	2.842	50	40	CFGB	
CCNC(=O)N/N=C/C=C1/N(C)c2ccccc2C1(C)C	64920331	AJINTODYGZWMCY-HIMLSBAZSA-N	286.379	2.603	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)s1)c1ccccc1O	5678939	WFGLZPLUZLYDAH-VGOFMYFVSA-N	280.736	2.871	50	40	CFGB	
CC(C)Oc1ccc(/C=C(\C#N)C(N)=O)cc1Cl	408866644	HLOFRYYOVXKILP-BJMVGYQFSA-N	264.712	2.519	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(C)nc2)cc1	1020607	UMJPHIYPBYXSLD-LDADJPATSA-N	283.331	2.553	50	40	CFGB	
NC(=O)N/N=C1\c2ccccc2-c2nc3ccccc3cc21	12360326	SFANECZEMHCNEC-CAPFRKAQSA-N	288.310	2.636	50	40	CFGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1ccccc1	242525	YSOAKZYDWVZALY-CXUHLZMHSA-N	274.707	2.810	50	40	CFGB	
NC(=O)N/N=C/c1sc2ccccc2c1Cl	338923	OJPLQLGXTNZCIC-WLRTZDKTSA-N	253.714	2.557	50	40	CFGB	
CCCC/C(C)=N\NC(=O)C(=O)Nc1ccc(C)c(C)c1	59515730	GFRPRWFJWSUATB-AQTBWJFISA-N	289.379	2.924	50	40	CFGB	
O=C(c1ccc(F)cc1)[C@H](Cl)C(=O)C(F)(F)F	100496763	BZEDPIVSWGNNHS-ZETCQYMHSA-N	268.593	2.747	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc2c(c1)OCO2	101560898	UVDLSJWAMABVIP-RBMAWDPGSA-N	286.331	2.567	50	40	CFGB	
N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)N1CCCC1	409372813	NQZUDVFYNKGVHU-DTQAZKPQSA-N	295.386	2.816	50	40	CFGB	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NC2CC2)cc1	5728620	QXMRVXXNOJJAQS-MDWZMJQESA-N	292.342	2.571	50	40	CFGB	
COc1ccc(C(=O)OC(=O)c2ccc(OC)cc2)cc1	86036972	YGMHIBLUWGDWKP-UHFFFAOYSA-N	286.283	2.701	50	40	CFGB	in-vitro
CC[C@H](Br)C(=O)N1CCCC[C@H]1CC	32919621	HPIFPOOZFCOCLA-ZJUUUORDSA-N	262.191	2.951	50	40	CFGB	
NNC(=O)CCc1ccc(-c2ccc(Cl)cc2)o1	216923829	PHCLVLXDQGRCGG-UHFFFAOYSA-N	264.712	2.523	50	40	CFGB	
C/C(=N/NC(N)=O)c1ccc2noc(-c3ccccc3)c2c1	96306177	XCRLSGOJGUBSDR-ZDLGFXPLSA-N	294.314	2.887	50	40	CFGB	
C/C(=N\NC(=O)c1ccncc1)c1ccc(C)cc1C	5681509	FXYCUGROFDVODO-QGOAFFKASA-N	267.332	2.852	50	40	CFGB	
CCCCCSC(=S)N(C)NC(=O)c1ccccn1	1571692	CUCGVXREABKSOH-UHFFFAOYSA-N	297.449	2.867	50	40	CFGB	
C[C@@H](CP(=O)(c1ccccc1)c1ccccc1)C(=O)O	1728327	DLHAOJSRHRLBTJ-ZDUSSCGKSA-N	288.283	2.721	50	40	CFGB	
CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)c2ccoc2C)C1(C)C	22006761	GGIXFCQYCGMAJC-OLZOCXBDSA-N	290.363	2.587	50	40	CFGB	
CC1(C)O[C@@H](CCl)[C@@H]2OC(C)(C)O[C@H](CCl)[C@@H]2O1	104091791	HAHIUCXCJSRCCO-JXUBOQSCSA-N	299.194	2.504	50	40	CFGB	
CCc1sc(C(=O)NNC(=O)c2ccoc2C)cc1C	9376512	RMNXIXLLINUSDI-UHFFFAOYSA-N	292.360	2.595	50	40	CFGB	
CC[C@H](NC(=O)OC(C)(C)C)c1noc(CCl)n1	70453699	ZABXNZKIEOZYCX-ZETCQYMHSA-N	275.736	2.784	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2ccccc2O)c(C)c1	3023324	DYASHYVFWCNBOU-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
C/C=C/CCCCC(=O)[C@@H](C)C(=O)N1CC[C@@H](Cl)C1=O	1772591340	UMHAEHDRWGBOTH-BLDJZWNYSA-N	299.798	2.694	50	40	CFGB	
COC(=O)C[C@@H](NC(=O)CCl)c1ccc(C(C)C)cc1	5614095	LBBWUKVIIRBQCN-CYBMUJFWSA-N	297.782	2.769	50	40	CFGB	
Nc1nc(CCl)nc(Nc2ccccc2Cl)n1	4736823	KKULMQAPBSFPDP-UHFFFAOYSA-N	270.123	2.590	50	40	CFGB	
CN(NC(=O)/C=C/c1ccc(C#N)cc1)c1ccccc1	9314569	OSIZPAMEVIREGR-VAWYXSNFSA-N	277.327	2.739	50	40	CFGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1C	409191196	DEXUHGVYWGCKQB-ZROIWOOFSA-N	271.364	2.608	50	40	CFGB	
C/C(Cc1ccccc1)=N/NC(=O)Cc1ccccc1	30948413	MBTYNGABYOZCNZ-JXAWBTAJSA-N	266.344	2.964	50	40	CFGB	
O=C(COc1ccccc1)N/N=C\c1ccccc1Cl	33301971	WPSVYKBHUCYVCA-YVLHZVERSA-N	288.734	2.869	50	40	CFGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccccc1F	6210492	OYAARLNXZNINMO-VCHYOVAHSA-N	296.305	2.546	50	40	CFGB	
C[C@H](Nc1ccc(Cl)cc1)C(=O)N/N=C/c1ccco1	235265	JATQFHPHRCZRDH-JSJZUPIVSA-N	291.738	2.884	50	40	CFGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1	223698	VVSMXTGWTDUBAF-LICLKQGHSA-N	288.734	2.738	50	40	CFGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccn1C	2749239	AFHNCMFBQBNFGX-ZRDIBKRKSA-N	281.315	2.579	50	40	CFGB	
CCCCCC1CCC(C(=O)NNC(=S)NCC)CC1	8829010	ZUXMXDANWVWPIO-UHFFFAOYSA-N	299.484	2.888	50	40	CFGB	
CN(C)/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	143142	ACZKAQKOMNTKPR-CSKARUKUSA-N	268.238	2.857	50	40	CFGB	
Cc1noc(-c2cccc(CBr)c2)n1	12370387	WKTARCMEMVHRLR-UHFFFAOYSA-N	253.099	2.940	50	40	CFGB	
C/C(=N/NC(=O)c1cnccn1)c1ccc2ccccc2c1	13583939	OOVXEXYJDOOOPY-NDENLUEZSA-N	290.326	2.784	50	40	CFGB	
CC1=C(C#N)C(c2cccc([N+](=O)[O-])c2)C(C#N)=C(C)N1	19418547	AGTVDUROKQCBJX-UHFFFAOYSA-N	280.287	2.877	50	40	CFGB	
CN(C)C[C@]1(C)CC(=O)[C@H](Br)C(C)(C)C1	1675339	MBSOHHNBDYTCPS-CMPLNLGQSA-N	276.218	2.707	50	40	CFGB	
CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@H]1c1ccccc1	6206047	GIFVXPZALGXOOB-CQSZACIVSA-N	285.299	2.931	50	40	CFGB	
CCOc1cccc(/C=N/NC(=O)COc2ccccc2)c1	2101479	GLCYVERQEJVENE-LDADJPATSA-N	298.342	2.614	50	40	CFGB	
Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2ccoc2C)o1	11165665	RWZKHLGMVZCHRE-CAOOACKPSA-N	298.302	2.643	50	40	CFGB	
Cc1ccc(N2C(=O)C[C@]3(C[C@H](Cl)N=N3)C2=O)cc1C	5146712	KLUWSYOLLSYEOK-BXUZGUMPSA-N	291.738	2.726	50	40	CFGB	
O=C(N/N=C\c1ccco1)c1sccc1-n1cccc1	5949371	BJIHLEGPUOFDIY-GDNBJRDFSA-N	285.328	2.896	50	40	CFGB	
N#CSc1c(-c2cccc(Br)c2)[nH][nH]c1=N	408892598	IPKQVIXBJUBMTN-UHFFFAOYSA-N	295.165	2.825	50	40	CFGB	
BrC[C@@H]1CCN(Cc2ccccc2)C1	79436695	WSYMERCNLIPXPC-LBPRGKRZSA-N	254.171	2.903	50	40	CFGB	
C[C@H](c1ccccc1)n1c(CCl)cnc1S(C)(=O)=O	47219289	UOCJRKJDGYUOEF-SNVBAGLBSA-N	298.795	2.635	50	40	CFGB	
CC(C)(C)OC(=O)CN(C(=O)CCl)c1ccccc1	34403849	HIJNJTKABIGZOZ-UHFFFAOYSA-N	283.755	2.600	50	40	CFGB	
O=C(CCl)c1cc2c(cc1Br)OCCO2	26444385	NELTXUJLPVBVJU-UHFFFAOYSA-N	291.528	2.642	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1	5337307	JTJXTPHQWNMRLR-WOJGMQOQSA-N	267.332	2.557	50	40	CFGB	
CO[Si](C[C@H](CCl)c1ccccc1)(OC)OC	200019286	HJIZDSWQHMHTQC-LBPRGKRZSA-N	274.820	2.887	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1OC	586997	JLPGQGUNLHGYPL-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
Cc1ccccc1C(=O)NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	103315403	SBRLUUCNISADGH-IHRRRGAJSA-N	286.375	2.582	50	40	CFGB	
O=C(N/N=C\c1ccc(Cl)s1)c1ccccn1	13895615	KVIBPAUXDIVNSE-AUWJEWJLSA-N	265.725	2.560	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1cc(Cl)c(OC)c(OC)c1	82068006	ODCBUJBXDQEQRX-YHYXMXQVSA-N	295.722	2.827	50	40	CFGB	
Cc1cccc(C)c1NC(=O)CI	48544793	WYMMKVRDDGLTEG-UHFFFAOYSA-N	289.116	2.677	50	40	CFGB	
CCS(=O)(=O)C1(c2nc(CCl)cs2)CCC1	96531974	YJMWSNNYAHMXEM-UHFFFAOYSA-N	279.814	2.696	50	40	CFGB	
O=C(N/N=C/c1ccco1)c1ccccc1-n1cccc1	5899396	WZGRGTCOANKCSO-SFQUDFHCSA-N	279.299	2.834	50	40	CFGB	
CCOc1ccccc1/C=N\NC(=O)Cc1cccs1	30904720	VETWBNFPNUPENJ-WJDWOHSUSA-N	288.372	2.840	50	40	CFGB	
CCc1c(/C(C)=N/NC(N)=O)oc2ccc(C)cc12	7814882	FUEOUNATHKSBIL-CXUHLZMHSA-N	259.309	2.696	50	40	CFGB	
N#Cc1csc(C(=O)NNc2ccc(F)cc2)c1	84260214	SSGAQUJFQVBIQR-UHFFFAOYSA-N	261.281	2.516	50	40	CFGB	
CC(C)COc1ccc(C2CC(=O)OC(=O)C2)cc1	225623649	LCXNBPMXJSUUDA-UHFFFAOYSA-N	262.305	2.669	50	40	CFGB	
CC(=O)OC1[C@H](Br)CCC[C@H]1Br	1557112	CMSPBOMUJNOKFZ-RNFRBKRXSA-N	299.990	2.629	50	40	CFGB	
CN(C)CC[C@@](C)(C(=O)CBr)c1ccccc1	1593230	UESDIBLBXYIRLZ-CQSZACIVSA-N	298.224	2.860	50	40	CFGB	
CCCCNC[C@@H](Br)CBr	3205181	YXRABHQGBHYJQU-ZETCQYMHSA-N	273.012	2.535	50	40	CFGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(C)o2)n1	409377702	IZLZJRADSMPCLC-KPKJPENVSA-N	255.277	2.649	50	40	CFGB	
CCCC(=O)NNC(=S)Nc1ccc(F)c(Cl)c1	6397449	GDBIMSQCJSQLGG-UHFFFAOYSA-N	289.763	2.597	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	4579516	TXPKZAAEXJUSDI-LFIBNONCSA-N	283.287	2.749	50	40	CFGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccncc1	16525821	WQSHHAVECQJKLX-ODLFYWEKSA-N	291.310	2.704	50	40	CFGB	
NNC(=O)c1ccc(COc2cccc3ccccc23)o1	4575363	INRJOWNKUHJAAP-UHFFFAOYSA-N	282.299	2.615	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12	4670546	COGDRFDGXKEHGJ-YRNVUSSQSA-N	253.305	2.599	50	40	CFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccc(Br)o1	4646729	WRCBFCPBMKOYPQ-LIDUYEILSA-N	295.136	2.724	50	40	CFGB	
CC(C)COc1ccc(/C=C(/C#N)C(N)=S)cc1	408541454	AWWAGVZIPBFKJK-GHXNOFRVSA-N	260.362	2.914	50	40	CFGB	
N#CC1=C2CCCCCN2c2ccccc2S1(=O)=O	67172870	HUEFFZLOFNDLQO-UHFFFAOYSA-N	274.345	2.589	50	40	CFGB	
COc1ccc(N(CC2CC2)C(=O)CCl)cc1	199758211	BDOHIAJZOBPEIA-UHFFFAOYSA-N	253.729	2.677	50	40	CFGB	
CCOc1ccc(N2C[C@H](CCl)OC2=O)cc1	1775967179	ACEGMNVXUWREEO-NSHDSACASA-N	255.701	2.649	50	40	CFGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1ccncc1	102946942	RKMIHGGMEVPUDD-AHMGIAEWSA-N	269.348	2.790	50	40	CFGB	
Cc1ccccc1C(=O)N/N=C/c1cccc2c1OCCO2	54872598	AUNBNTAMTHQKIW-WOJGMQOQSA-N	296.326	2.530	50	40	CFGB	
COc1c(SC#N)cc(C(=O)O)cc1SC#N	59826144	VMKAIINXYYNTNT-UHFFFAOYSA-N	266.303	2.540	50	40	CFGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1	6568751	IKRKKQCGCDAUNA-FMIVXFBMSA-N	298.371	2.755	50	40	CFGB	
CN(C)c1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1	33296520	DRWCGVXVGHOJLM-WQRHYEAKSA-N	285.322	2.656	50	40	CFGB	
Cc1ccc2onc([C@@H](Br)C(=O)O)c2c1	41195298	RPVQGEUXBSHVAJ-MRVPVSSYSA-N	270.082	2.657	50	40	CFGB	
Cc1cc(C)n(CC(=O)N/N=C/c2ccc(C(C)C)cc2)n1	188733	HXMHWLCPWGOVJQ-VCHYOVAHSA-N	298.390	2.774	50	40	CFGB	
CCO[Si](C)(/C=C/[Si](C)(OCC)OCC)OCC	201067148	WOLIVTNXBUXXOP-VAWYXSNFSA-N	292.524	2.911	50	40	CFGB	
ClCCSCCNCCSCCCl	1672448	BBYLFZPEWUFMKC-UHFFFAOYSA-N	262.271	2.520	50	40	CFGB	
C[C@@H](Br)CCCN1C(=O)c2ccccc2C1=O	2045024	BSLLSMVCLJZMHT-SECBINFHSA-N	296.164	2.846	50	40	CFGB	
O=C[C@H](Cl)P(=O)(N1CCCCC1)N1CCCCC1	500392	UVWSSNNDUNEAHK-GFCCVEGCSA-N	292.747	2.915	50	40	CFGB	
CC(=O)N/N=C/c1ccccc1OCc1ccc(F)cc1	58822338	BLOAYJWRNKJRHZ-VCHYOVAHSA-N	286.306	2.875	50	40	CFGB	
CCOc1cccc(/C=N/NC(=O)c2cccs2)c1	6950137	NTFPGZYCIBEGKP-XNTDXEJSSA-N	274.345	2.911	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1	408805681	BRLWEFZUCYUBJI-ZWSXMNCCSA-N	288.347	2.525	50	40	CFGB	
Nc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1	38141727	FKNZFDULWRTUDC-UHFFFAOYSA-N	293.306	2.908	50	40	CFGB	
CCOC(=O)[C@@H](Br)Cc1ccccc1	5717586	MVCUFNYFDQMSTE-JTQLQIEISA-N	257.127	2.556	50	40	CFGB	in-vitro
O=C(NN=C1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)Nc1ccccc1	4529832	QMWMCZATQCLCIC-GIIQZNHOSA-N	299.374	2.735	50	40	CFGB	
O=C(NN=C1CCCCC1)C(=O)Nc1ccccc1Cl	59434388	OXBWOKLEPWVYBP-UHFFFAOYSA-N	293.754	2.715	50	40	CFGB	
Cc1cc(/C=N/NC(=O)C#N)c(C)n1C1CCCCC1	100343932	NIEKZAVRMOQFET-LICLKQGHSA-N	272.352	2.584	50	40	CFGB	
C[C@@H]1CN(/C=C/C=O)[C@H](C)C[C@@H]1OC(=O)c1ccccc1	3900203	AMWSLZCCVAAWRN-DLIAZCHPSA-N	287.359	2.655	50	40	CFGB	
O=C1[C@@H](Br)CCCN1c1cccc(F)c1	68592682	LQTPDMRRADKQOM-JTQLQIEISA-N	272.117	2.716	50	40	CFGB	in-vitro
O=C(CBr)Cc1ccccc1Br	199549757	MGSASSXLIYSHLE-UHFFFAOYSA-N	291.970	2.956	50	40	CFGB	
C/C=C/CCCCC(=O)[C@H](C)C(=O)N1CC[C@@H](Cl)C1=O	1772591341	UMHAEHDRWGBOTH-HEKLCECKSA-N	299.798	2.694	50	40	CFGB	
NNC(=O)c1cccc(OCc2ccc(F)cc2Cl)c1	226318606	YVBYXFSWIDFNTF-UHFFFAOYSA-N	294.713	2.662	50	40	CFGB	
CCCCOc1ccc(/C=C(/C#N)C(N)=O)cc1OCC	44867201	SKZPZHFKPMWFLO-LCYFTJDESA-N	288.347	2.656	50	40	CFGB	
N#Cc1cccc(NNC(=O)NCCc2ccc(F)cc2)c1	12980303	NRWAQFSMSWOLGD-UHFFFAOYSA-N	298.321	2.566	50	40	CFGB	
COC(=O)/C(C#N)=C/c1c[nH]nc1-c1cc2ccccc2o1	63274814	JIEYRFCTZXSQNS-IZZDOVSWSA-N	293.282	2.903	50	40	CFGB	
Cc1ccc(N2C(=O)C[C@]3(C[C@@H](Cl)N=N3)C2=O)cc1C	5146747	KLUWSYOLLSYEOK-SMDDNHRTSA-N	291.738	2.726	50	40	CFGB	
CSc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1	5559226	SDFPDOHSGNHZII-JLHYYAGUSA-N	272.373	2.938	50	40	CFGB	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(Cl)c1F	95455723	RGFQCFGTKIKPGC-UHFFFAOYSA-N	287.722	2.678	50	40	CFGB	
C[C@H](Br)C(=O)Nc1ncc(C(C)(C)C)o1	72220089	FCNDKRIWVMHRBU-LURJTMIESA-N	275.146	2.694	50	40	CFGB	
NNC(=O)c1ccc2nc(-c3cccc(F)c3)sc2c1	73635153	MMZYVELPMJWCLH-UHFFFAOYSA-N	287.319	2.706	50	40	CFGB	
Cc1c(Cl)c(C(=O)CCl)cc2c1NC(=O)CC2	41629131	KNQYCKHXTKQRSL-UHFFFAOYSA-N	272.131	2.955	50	40	CFGB	
O=C(NNC(=O)Oc1ccccc1)OCc1ccccc1	255189062	NLLATHSLAQQGQH-UHFFFAOYSA-N	286.287	2.616	50	40	CFGB	
Cc1ccc(Cl)cc1NC(=O)NNC(=O)C1CCC1	95467025	BLORXKHFJBBCEN-UHFFFAOYSA-N	281.743	2.601	50	40	CFGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1	215553373	KZTDMPDYOXBNBK-BOPFTXTBSA-N	256.280	2.519	50	40	CFGB	
CC(C)CC(=O)NNC(=O)c1ccccc1C(F)(F)F	32721215	FDWKSKOJHVZPOK-UHFFFAOYSA-N	288.269	2.513	50	40	CFGB	
O=C(N/N=C/c1ccccn1)c1cccc2ccccc12	262988	YWVIYBAKVZPQHX-XDHOZWIPSA-N	275.311	2.999	50	40	CFGB	
COc1ccccc1NCC(=O)NN=C1CCCCCC1	7009983	UTZPUYCOPDCGIQ-UHFFFAOYSA-N	289.379	2.934	50	40	CFGB	
NNC(=O)c1ccccc1OCc1ccc(Cl)cc1	3245218	ZVGRXMCVNCDVBH-UHFFFAOYSA-N	276.723	2.523	50	40	CFGB	
CN[P@@]1(=O)OC(c2ccccc2)=CCN1CCCl	104232807	GLVCYNSLPDEUSJ-GOSISDBHSA-N	286.699	2.926	50	40	CFGB	
C[C@@]12CC[C@H](CC1=O)[C@@]2(C)CI	100746546	FOPVQQUAABFQPF-SZEHBUNVSA-N	278.133	2.817	50	40	CFGB	
CN(C)c1ccc(C(=O)N/N=C2/C[C@H]3CC[C@@H]2C3)cc1	20215667	WSPOVTPLKHUSIO-KQDATDAWSA-N	271.364	2.658	50	40	CFGB	
CCCSC1=C(C#N)[C@H](c2ccc(O)cc2)CC(=O)N1	8973461	KKADXXPLCAKGKV-LBPRGKRZSA-N	288.372	2.874	50	40	CFGB	
CC(C)[C@@H](Br)C(=O)N1CCCC[C@H]1C	19435281	IYZUPJNTPXMFNM-NXEZZACHSA-N	262.191	2.807	50	40	CFGB	
O=C(CCl)Nc1cccc(N2CCCCC2)c1	34776768	TXFJTFUMHBJTBI-UHFFFAOYSA-N	252.745	2.854	50	40	CFGB	
NNC(=O)c1ccc(OCc2cccc(F)c2)c(Cl)c1	216815542	CHYRUHXFIITFPR-UHFFFAOYSA-N	294.713	2.662	50	40	CFGB	
CC(C)N(C(=O)CCl)[C@H]1CCN(Cc2ccccc2)C1	79393729	VMQFTQGJHMZLBY-HNNXBMFYSA-N	294.826	2.737	50	40	CFGB	
O=C(N/N=C/c1ccc2ccccc2c1O)c1ccco1	5704954	MAQVVGFZOKSQIW-LICLKQGHSA-N	280.283	2.902	50	40	CFGB	
CC(=O)OC1[C@@H](Br)CCC[C@H]1Br	1557110	CMSPBOMUJNOKFZ-DHBOJHSNSA-N	299.990	2.629	50	40	CFGB	
COc1ccc(-c2noc(CCCl)n2)cc1OC	8729339	URPJWHQRVVNFGJ-UHFFFAOYSA-N	268.700	2.535	50	40	CFGB	
CCOc1cc(NC(=O)CCl)ccc1OC(F)F	2537733	DHEJXQUPWMFXAS-UHFFFAOYSA-N	279.670	2.864	50	40	CFGB	
N#C/C(=C\c1csc(COc2ccccc2)n1)C(=O)O	48837549	ALIOANKTZSPABT-UXBLZVDNSA-N	286.312	2.714	50	40	CFGB	
C/C(=N\NC(=O)Cc1ccccc1)c1ccc(F)cc1	5288665	WKVAXTVWDTYICR-LDADJPATSA-N	270.307	2.909	50	40	CFGB	
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1	578732	UFTJORSNWKUIQS-UHFFFAOYSA-N	273.244	2.823	50	40	CFGB	
N#CC1=C(NC(N)=O)c2ccccc2CC12CCCC2	20716671	QHXNVVNHAUSKDH-UHFFFAOYSA-N	267.332	2.706	50	40	CFGB	
CC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C[C@H]3C=C[C@H]2C3)cc1	101757083	RNUGHKFUMQCWGJ-CFODILMOSA-N	297.358	2.573	50	40	CFGB	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccn1	5620986	NANIKOANJFBFNF-PTKRALEFSA-N	279.343	2.726	50	40	CFGB	
CCOc1ccc(/C=N\NC(=O)COc2ccccc2)cc1	33319219	HTWHLPGLJYLKDU-PDGQHHTCSA-N	298.342	2.614	50	40	CFGB	
C=CCOc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1	59515950	FHFSJOONPWVORL-RGEXLXHISA-N	294.354	2.944	50	40	CFGB	
Cc1ccc(Cn2ccs/c2=N\C(=O)CCl)cc1	18030864	FNVXAXAJLFXSKP-SQFISAMPSA-N	280.780	2.572	50	40	CFGB	
C[C@@H](Br)C(=O)Nc1sc2c(c1C#N)CCC2	20069009	SWARHMMQGBOQHI-ZCFIWIBFSA-N	299.193	2.830	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)N/N=C\c2ccc(C)cc2)cc1	31628956	RSSRSRXIDJHWET-ZAORYEFMSA-N	294.358	2.971	50	40	CFGB	
CCCCCc1ccc(-c2cccc(F)c2B(O)O)cc1	328578052	QQPPLQUWJGIENF-UHFFFAOYSA-N	286.155	2.905	50	40	CFGB	
CC(C)Oc1ccc(C#N)c(CBr)n1	95098109	UDTSNMNMPXJPQR-UHFFFAOYSA-N	255.115	2.635	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1ccsc1Br	5795472	PCJHEQVQRMUSLP-YVMONPNESA-N	286.150	2.981	50	40	CFGB	
CCCCCC[C@@H](CCl)OCCOCCO	5418344	WBHLOPCRCWAHNP-LBPRGKRZSA-N	252.782	2.590	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2	290480	ILMWOYQXYMVDBH-QYBSWSSDSA-N	256.349	2.767	50	40	CFGB	
COC(=O)NNC(=O)Cc1coc2ccc3ccccc3c12	33027020	VGQVQLVLOPZGDR-UHFFFAOYSA-N	298.298	2.516	50	40	CFGB	
CC[C@@H](CC(C)C)C(=O)OCCBr	1672084	UNKLIOBUKAZMDW-VIFPVBQESA-N	251.164	2.997	50	40	CFGB	
COc1ccc(C(=O)O)cc1[C@]1(O)CCCC[C@@H]1Cl	4974378	WSIZHAAZWUJWDU-GXTWGEPZSA-N	284.739	2.762	50	40	CFGB	
C[C@@]12CCCC=C1NC(Cl)=C(C#N)C2(C#N)C#N	100236572	QTYBFLCHXJXBLX-GFCCVEGCSA-N	258.712	2.671	50	40	CFGB	
CC(C)Oc1ccc(CNC(=O)CCCl)cc1	3159010	HPVHCBHHAVFESG-UHFFFAOYSA-N	255.745	2.719	50	40	CFGB	
CCN(CC)c1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1	57367067	YEKVDQCXXFNMEV-LLVKDONJSA-N	294.782	2.651	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1O	102333124	PEFGCLHCFSXZCW-ALHRJSFTSA-N	290.750	2.973	50	40	CFGB	
N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1ccccc1F	33408290	JUQBMSSFPGFEMW-LCYFTJDESA-N	296.301	2.754	50	40	CFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)[C@H]1C[C@H]1c1ccccc1	5684695	YHEIMBVHBHKWFQ-SGBPGAOYSA-N	266.344	2.858	50	40	CFGB	
CCC1=C(C(=O)OC)[C@H](c2ccc(C)cc2)C(C#N)=C(N)O1	1471608	ZMMAYQUHHQYAOK-CQSZACIVSA-N	298.342	2.640	50	40	CFGB	
CCCCOCCOCCO[C@H](CC)CCl	5420331	GZOWCBYIRMVQBZ-GFCCVEGCSA-N	252.782	2.854	50	40	CFGB	
O=C(CNc1ccc(F)cc1)N/N=C/[C@H]1CC=CCC1	4948238	JRCKEKIWVKBYFH-NNLQFVHNSA-N	275.327	2.696	50	40	CFGB	
Cc1ccccc1C(=O)N/N=C1/CC(=O)CC(C)(C)C1	100103819	JNNZBOHYWFDFBB-ATVHPVEESA-N	272.348	2.860	50	40	CFGB	
O=C(CCCC[C@@H]1CCSS1)NCCc1c[nH]cn1	79189043	PVFLLEOWLJKVDE-GFCCVEGCSA-N	299.465	2.783	50	40	CFGB	biogenic
CCCCc1cc(/C=N\NC(N)=O)c2ccccc2n1	31772970	UBKNLXZQYTXEAD-YVLHZVERSA-N	270.336	2.580	50	40	CFGB	
Cc1ccccc1CC(=O)NN(C)c1ccccc1	1505337	ZNVBISGYIPRKEE-UHFFFAOYSA-N	254.333	2.705	50	40	CFGB	biogenic
O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1	246756	PBKCCZYGADGZMJ-UHFFFAOYSA-N	284.359	2.934	50	40	CFGB	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccncc1	5381639	PLCBDGQAMBYUOW-JSUXISIESA-N	279.343	2.726	50	40	CFGB	
O=C(N/N=C/c1ccc(O)cc1)c1cc(Cl)ccc1O	5672010	CNMBXRBLVANRRU-LZYBPNLTSA-N	290.706	2.515	50	40	CFGB	
Cc1ccn2c(C(=O)NN=C3CCCC3)c(C)nc2c1	409013428	NHWIQJGVXKTYRO-UHFFFAOYSA-N	270.336	2.611	50	40	CFGB	
O=C(OCc1ccccc1)N1CC[C@H](CCl)C1	79436567	YWMTYWDGXMOXFT-GFCCVEGCSA-N	253.729	2.884	50	40	CFGB	
NNC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1	40537911	QEXBEUUQRYXPOE-UHFFFAOYSA-N	271.103	2.857	50	40	CFGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccs1	225222	WBUDYERPEAFJFV-LZYBPNLTSA-N	293.779	2.964	50	40	CFGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccccc2O)c1	3032058	FLALSGMQEVLGOD-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)cc1	8043255	NWSXJSCNYHYBEN-LICLKQGHSA-N	297.314	2.976	50	40	CFGB	
CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@@H]1c1ccccc1	6206036	GIFVXPZALGXOOB-AWEZNQCLSA-N	285.299	2.931	50	40	CFGB	
CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@@H]1c1ccco1	6206038	FCOBSCQUESQYQO-GFCCVEGCSA-N	275.260	2.524	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1)C(=O)c1ccccc1	104129758	CLUVXTRAEQOZIX-SFQUDFHCSA-N	266.300	2.675	50	40	CFGB	
O=C(CCl)NCCSCc1cccc(Cl)c1	20239971	UJDLPNBGMXWTSU-UHFFFAOYSA-N	278.204	2.928	50	40	CFGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccnc1	4106546	RDPUSXWRQFVTJH-CBJRRHEPSA-N	269.348	2.683	50	40	CFGB	
CCOC(=O)C(=O)N(/N=C/c1ccccc1)c1ccccc1	4837432	PTVYZKGCHRTOBD-QGOAFFKASA-N	296.326	2.617	50	40	CFGB	
COc1ccc(OC)c(NC(=O)CCCCl)c1	5916283	CSMUJIBDXLZGHM-UHFFFAOYSA-N	257.717	2.661	50	40	CFGB	
COc1cc(C(=O)O)cc(C[C@H](C)Cl)c1OC	7986301	GWVLZGIQZSLWOM-ZETCQYMHSA-N	258.701	2.572	50	40	CFGB	
CC(C)(C)OC(=O)NNC(=O)[C@H]1CCCc2ccccc21	74042940	ZHQWRDDLBZUHGA-ZDUSSCGKSA-N	290.363	2.662	50	40	CFGB	
CCCCC(=O)N/N=C\C=C/c1ccccc1[N+](=O)[O-]	17424263	LROABCXZTALKMX-CMAKCPRESA-N	275.308	2.900	50	40	CFGB	
Cc1cc(C)nc(NNC(=O)CCC2CCCCC2)n1	12552367	GPKUAEHFXUJRBN-UHFFFAOYSA-N	276.384	2.897	50	40	CFGB	
CC(C)Oc1ccc(C(=O)NNC(=O)CC(C)(C)C)cc1	17293532	WZASLCGZEPKYLX-UHFFFAOYSA-N	292.379	2.671	50	40	CFGB	
CC(C)N(NC(=O)/C(C#N)=C/c1ccccc1)C(C)C	408753919	RVVFRAOKGYANJN-XNTDXEJSSA-N	271.364	2.744	50	40	CFGB	
FC(F)(F)[C@@H](Br)CBr	95707783	XFOCTDPLVDZSGA-REOHCLBHSA-N	255.859	2.707	50	40	CFGB	in-vitro
Cc1ccc(O)c(/C=N/NC(=O)CNc2ccccc2C)c1	61747	OHHCDRRBFDPORG-VXLYETTFSA-N	297.358	2.571	50	40	CFGB	
Cc1ccc(O)c(/C=N/NC(=O)c2ccccc2C)c1	9200578	FQGBIAGYTUMQKQ-LICLKQGHSA-N	268.316	2.773	50	40	CFGB	
CN(C)P(=O)(N(C)C)N1CCCc2ccccc21	102130933	RKHNRDSYTVAAKV-UHFFFAOYSA-N	267.313	2.671	50	40	CFGB	
Oc1cc(OCCCCl)ccc1-c1cc[nH]n1	4002388	BDAXWVZKFHQMOQ-UHFFFAOYSA-N	252.701	2.790	50	40	CFGB	
CCSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1	9320708	FKBHMIPYYQILMV-LLVKDONJSA-N	276.336	2.917	50	40	CFGB	
O=S(=O)(S)c1ccc(OCc2ccccc2)cc1	70453347	FOJXQGGBZJHRPG-UHFFFAOYSA-N	280.370	2.884	50	40	CFGB	
O=C1CC(c2ccc(OCC3CCC3)cc2)CC(=O)O1	217801669	OCIVJLVGECYFTM-UHFFFAOYSA-N	274.316	2.813	50	40	CFGB	
Cc1ccccc1Cn1cc(C(=O)NN)c2ccccc21	216946203	IXYHGBSHUHBAKA-UHFFFAOYSA-N	279.343	2.602	50	40	CFGB	
CC1(C)OB([C@H](N)CCCCBr)OC1(C)C	1307209427	CPERGQLZWYJKLQ-SECBINFHSA-N	292.026	2.510	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)Cc2ccccc2)c1	524508	RQZYUQGHDKULJL-SFQUDFHCSA-N	252.317	2.688	50	40	CFGB	
NC(=O)NN=Cc1cccc2c(Br)cccc12	13404320	OTNGJJRIIKJRHD-UHFFFAOYSA-N	292.136	2.605	50	40	CFGB	
N#C/C(=C\c1cccc(Br)c1)C(=O)NC1CC1	7163944	JTZKWQGRVJRRBW-UXBLZVDNSA-N	291.148	2.635	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)c1ccccc1F	3475308	QPLRADVQZMBEAM-OVCLIPMQSA-N	262.309	2.960	50	40	CFGB	
C/C(=N\NC(=O)Cc1csc(C)n1)c1ccc(C)cc1	5166537	HGXYMJMHPXCKSZ-GZTJUZNOSA-N	287.388	2.843	50	40	CFGB	
Cc1cc(C(=O)N/N=C/c2ccncc2)c2ccccc2n1	263162	KXUNGBBWMUFRRP-YBFXNURJSA-N	290.326	2.702	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)OC(C)(C)C)cc1	3157822	LPFFROAUMJPUDL-XNTDXEJSSA-N	263.341	2.611	50	40	CFGB	
CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1	9374799	ZTLHNHYTQZPQOW-SNVBAGLBSA-N	262.309	2.527	50	40	CFGB	
CCCOc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1	20197598	QTZMUTMGNDLKMF-LDADJPATSA-N	298.342	2.945	50	40	CFGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)CC#N)cc21	208206349	IVPJHSORNDLKJO-ZGXHQARYSA-N	298.390	2.772	50	40	CFGB	
O=C(NNc1ccccc1)Nc1ccc2snnc2c1	429897	SRWQJQBZSOFYSW-UHFFFAOYSA-N	285.332	2.840	50	40	CFGB	
Cl[C@@H](CN1CCOCC1)[C@H](Cl)c1ccccc1	1675252	WSONXBVAEHILOL-QWHCGFSZSA-N	274.191	2.906	50	40	CFGB	
O=[N+]([O-])c1ccc(-c2nnc(SCCCl)o2)cc1	4967335	SHSJNZGXIZNASA-UHFFFAOYSA-N	285.712	2.976	50	40	CFGB	
CC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C	58927167	JIOKNXFPNSYUKE-LICLKQGHSA-N	269.348	2.873	50	40	CFGB	
CC(C)=C[C@H]1[C@H](C(=O)NNC(=O)C2CCCC2)C1(C)C	48482268	IWBNOSHVEAPYQC-QWHCGFSZSA-N	278.396	2.562	50	40	CFGB	
O=C1C[C@@]2(C[C@H](Cl)N=N2)C(=O)N1c1cccc(Cl)c1	4498632	QYSOCVAWJAGDBL-SKDRFNHKSA-N	298.129	2.763	50	40	CFGB	
CCNC(=S)NC1=C(C#N)[C@H]2CCCC[C@H]2S1	4293409	HEQZSRFBXFGMFH-PSASIEDQSA-N	267.423	2.511	50	40	CFGB	biogenic
O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])o1)c1ccccc1	3153852	GRVSQVWVQRESGW-ZMZMSIHFSA-N	285.259	2.617	50	40	CFGB	
N#C[C@@H](C(=O)C(Cl)Cl)c1nc2ccccc2[nH]1	239563254	ZMCJHLURXNDGBG-LURJTMIESA-N	268.103	2.543	50	40	CFGB	
O=C(N/N=C1\C[C@H]2CC[C@H]1C2)c1ccc(Br)o1	106268814	ROKUKPSEVFONKG-BOXIZNBFSA-N	297.152	2.948	50	40	CFGB	
O=C(CCc1ccccc1)N/N=C/c1ccccc1	253426	QSVJNPLIWNJFQD-GHRIWEEISA-N	252.317	2.770	50	40	CFGB	
CC(C)C(=O)O[C@@H](C)OC(=O)Oc1ccc([N+](=O)[O-])cc1	100070538	BYKGARIWNYRANY-SECBINFHSA-N	297.263	2.655	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)COc2cccc(C)c2C)o1	13942121	SMONRMLHHLLUNJ-MFOYZWKCSA-N	286.331	2.734	50	40	CFGB	
O=C(N/N=C/c1cccc(Cl)c1)C1CCCC1	15934510	CPSPVHIAPFLPCU-OQLLNIDSSA-N	250.729	2.980	50	40	CFGB	
O=C(CNc1ccccc1)N/N=C1/CCc2ccccc21	96703888	NIPAIFHYHXHPIM-MNDPQUGUSA-N	279.343	2.565	50	40	CFGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)o1	408797731	SRQTXZFZFKUTNB-PKNBQFBNSA-N	297.314	2.597	50	40	CFGB	
NNC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	226258090	VBAXBAZYKPBJRE-FNORWQNLSA-N	296.248	2.969	50	40	CFGB	
O=C(N/N=C1/C[C@@H]2CC[C@H]1C2)c1ccc(Br)o1	5171597	ROKUKPSEVFONKG-JGVIHWSLSA-N	297.152	2.948	50	40	CFGB	
O=C(CCl)O/N=C/c1ccc(F)c(Cl)c1	165048	FQLSVKKUIDCEAR-WLRTZDKTSA-N	250.056	2.595	50	40	CFGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccco1	31117	GDMFSZKLFRPFQQ-YBFXNURJSA-N	293.326	2.995	50	40	CFGB	
C/C(=N/NC(=O)c1ccccc1O)c1ccc(F)cc1	4906955	ONIYHDGYYKMHBZ-YVLHZVERSA-N	272.279	2.685	50	40	CFGB	
O=C(CCl)NC1(c2ccc3c(c2)OCCO3)CCCC1	12504961	IWGQITPDBXONGR-UHFFFAOYSA-N	295.766	2.582	50	40	CFGB	
CC/C(=N\NC(=O)c1ccccn1)c1ccccc1	5295187	CLYJGVPWSALVCW-GHRIWEEISA-N	253.305	2.626	50	40	CFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1c[nH]c2ccccc12	4646958	JALLLIKXFDZDCP-GUOPMMFYSA-N	265.316	2.850	50	40	CFGB	
CCOC(=O)/C(C#N)=C/C=C(/C(=C=N)C#N)c1ccccc1	409415804	BGBLKUYOZLDTGV-JTHWEQIXSA-N	291.310	2.782	50	40	CFGB	
C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(C)cc1	5277265	LYPUICNSDGCWSZ-APVMCDBPSA-N	282.343	2.569	50	40	CFGB	
Cc1ccc(S(=O)(=O)/N=[S@@](/C)C[C@@H](C)Cl)cc1	5352911	VAUOPIGMAJEWNB-QLJPJBMISA-N	293.841	2.743	50	40	CFGB	
O=C(NCCBr)Nc1ccc(Cl)cc1	1614727	JVVBJYJBWXDKNG-UHFFFAOYSA-N	277.549	2.856	50	40	CFGB	
COc1ccc(C(=O)[C@@H](C)Br)c(OC)c1	34246634	YQPRRUQLUXLYHV-SSDOTTSWSA-N	273.126	2.670	50	40	CFGB	in-vitro
C[C@H](NC(=O)CCl)c1ccccc1Br	3394815	RRBILYKCBGQDEH-ZETCQYMHSA-N	276.561	2.865	50	40	CFGB	
CCN(NC(=O)[C@H]1Cc2ccccc2O1)c1ccc(C)cc1	69350565	PEWVQJNHSCSNHL-QGZVFWFLSA-N	296.370	2.856	50	40	CFGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(N)=O	408876530	PTCQLIKUBYAFEW-JLHYYAGUSA-N	278.311	2.797	50	40	CFGB	
Cc1ccc(NC(=O)OCCCl)c([N+](=O)[O-])c1	5208166	ORBCCUWKXUVSJO-UHFFFAOYSA-N	258.661	2.691	50	40	CFGB	
Cc1ccccc1C(=O)N/N=C/c1ccccc1F	5620175	GYABGITZHSMOTP-LICLKQGHSA-N	256.280	2.898	50	40	CFGB	
O=C(CCl)N[C@H](c1ccccc1)c1nccs1	57218675	HQKQFWBIXDPHDK-LLVKDONJSA-N	266.753	2.588	50	40	CFGB	in-vitro
O=C(Cc1ccccc1Cl)NNC(=O)C1CCCCC1	6930906	JDEBYVXGFMGAKR-UHFFFAOYSA-N	294.782	2.610	50	40	CFGB	
CC(C)(C)OC(=O)N1C[C@H](Br)C(F)(F)C1	606303348	WMHSFUDYRSKPOA-LURJTMIESA-N	286.116	2.636	50	40	CFGB	
Nc1cccc(C(=O)NN=C2C3CC4CC(C3)CC2C4)c1	45774	JGPGNMQVVAAJEE-UHFFFAOYSA-N	283.375	2.811	50	40	CFGB	
O=C1OC(=O)[C@@H]2C(Cl)=C(Cl)C(Cl)=C(Cl)[C@H]12	100494231	HFUBWSYLMUCDLL-XIXRPRMCSA-N	287.913	2.694	50	40	CFGB	
COc1ccc2c(c1)CCC1=C2CC[C@@]2(C)C(=O)OC(=O)[C@H]12	104144564	BPDWLNHGMNZBGQ-MAUKXSAKSA-N	298.338	2.895	50	40	CFGB	
CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1	9331794	ZTLHNHYTQZPQOW-JTQLQIEISA-N	262.309	2.527	50	40	CFGB	
CCCOc1ccc(/C=N\NC(=O)C(C)C)cc1OCC	83331733	MZVJAWYKBLOMKZ-BOPFTXTBSA-N	292.379	2.980	50	40	CFGB	
Cc1cccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c1	244871	PFNWREFIMCWEAT-LDADJPATSA-N	281.359	2.825	50	40	CFGB	
O=C(CBr)c1ccccc1OC(F)F	16158760	IJKAWYQUZGMVEF-UHFFFAOYSA-N	265.053	2.866	50	40	CFGB	
C/C(=N/NC(N)=O)c1ccc(Cl)c(-n2cccc2)c1	17128872	LJPBPZVMXOSHCQ-SXGWCWSVSA-N	276.727	2.523	50	40	CFGB	
Cc1ccc(C(=O)O)cc1N(CCCl)CCCl	893	DKROWFJGHDLNFQ-UHFFFAOYSA-N	276.163	2.977	50	40	CFGB	
COc1ccc(N/C=C(/C#N)C(=O)OC(F)(F)F)cc1	100364436	GSYVSMNBKPUYRS-FPLPWBNLSA-N	286.209	2.578	50	40	CFGB	
N#C[C@@H](C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1	409199703	JCDBJMKBFULPBE-SKCQWOFPSA-N	281.290	2.583	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1	408805680	BRLWEFZUCYUBJI-KAQJVSAMSA-N	288.347	2.525	50	40	CFGB	
NNC(=O)c1ccccc1OCc1c(F)cccc1Cl	226306143	PDFYBFNYHPOVIG-UHFFFAOYSA-N	294.713	2.662	50	40	CFGB	
C[Si](C)(C)O[Si](C)(C)CCCOC[C@@H]1CO1	196107404	OYWALDPIZVWXIM-LLVKDONJSA-N	262.498	2.849	50	40	CFGB	
CN(C)c1ccc(C(=O)N/N=C/c2cccc(F)c2)cc1	5393709	MXXYCGWPSWFAAX-WOJGMQOQSA-N	285.322	2.656	50	40	CFGB	
N#CC(C#N)=Cc1cc2ccccc2nc1N1CCOCC1	20023651	CLLGGNPSZVGIJD-UHFFFAOYSA-N	290.326	2.502	50	40	CFGB	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1c(F)cccc1F	35324263	RHQSKHPUNYDIOU-AWEZNQCLSA-N	299.280	2.765	50	40	CFGB	
CCCCC[C@@H](O)CCC(=O)N/N=C/c1ccc(O)cc1	2288115	MLNQBHXSJZZWGJ-RFRKOGIWSA-N	292.379	2.564	50	40	CFGB	
O=C(CBr)c1ccc(N=C=S)cc1	19737455	ITLAYLYFJAKRIH-UHFFFAOYSA-N	256.124	2.999	50	40	CFGB	
CC1CCC(=NNC(=O)CNc2ccccc2)CC1	7009090	PELCPQXFEWUPMB-UHFFFAOYSA-N	259.353	2.781	50	40	CFGB	
CC(C)COC(=O)/C(C#N)=C1/C=CC=C2C=CC=CN21	239563032	QHTSPOWLJJRISG-UHFFFAOYSA-N	268.316	2.802	50	40	CFGB	
CN(C)c1ccc(C(=O)N/N=C2\C[C@H]3CC[C@@H]2C3)cc1	5393693	WSPOVTPLKHUSIO-UEUPWSJBSA-N	271.364	2.658	50	40	CFGB	
C[C@H](CC1C(C#N)=C(N)SC(N)=C1C#N)c1ccccc1	278404	YRAABLMQIMFEJO-SNVBAGLBSA-N	296.399	2.931	50	40	CFGB	
O=C(NCCSCCCl)NC1CCCCC1	1575894	JIYUYVSMNWAOPX-UHFFFAOYSA-N	264.822	2.590	50	40	CFGB	
CCOC(=O)c1sc(NCCCOC)nc1CCl	12394453	JDUDZTRJYORJDE-UHFFFAOYSA-N	292.788	2.507	50	40	CFGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)OCCCl	5215054	GVDHOSICPSHSRY-JXMROGBWSA-N	274.707	2.857	50	40	CFGB	
OC[C@H](Br)[C@@H](Br)c1ccccc1	140339742	QBFQIVMHGSMOJV-IUCAKERBSA-N	293.986	2.878	50	40	CFGB	
CCOc1cccc(/C=N\NC(=O)Nc2ccccc2)c1O	169565368	SKYIZLKFVBZDGX-BOPFTXTBSA-N	299.330	2.947	50	40	CFGB	
CC(C)(C)NC(=O)[C@@H](Br)C(C)(C)C	163890	HFBXIPPQGIROOF-SSDOTTSWSA-N	250.180	2.711	50	40	CFGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2O)n1	535403	PEJJULUSSVUNCA-UKTHLTGXSA-N	279.299	2.641	50	40	CFGB	
CN(CC(=O)N/N=C/C=C/c1ccccc1)c1ccccc1	3148884	IFKMOWSOFRVULZ-SFRRXYARSA-N	293.370	2.938	50	40	CFGB	
CCOC(=O)/C(C#N)=C/[C@H]1CCO[C@@](C)(CC)C1	3881542	WHTREOJLLJWTIG-VXYVMLOTSA-N	251.326	2.595	50	40	CFGB	
COC(=O)c1ccc2c(c1)OC(C)=CC2=C(C#N)C#N	1554502551	KCORKFXYZBVRHG-UHFFFAOYSA-N	266.256	2.570	50	40	CFGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccco1	7157980	GMBJHAOHWSFNEG-SBNHVRHQSA-N	258.321	2.881	50	40	CFGB	
C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(C)cc1C	6271594	QDERSWMIJBNGDO-GMYFBSLISA-N	296.370	2.877	50	40	CFGB	
NNC(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1	226318560	JMUKBOQLXNETSV-UHFFFAOYSA-N	294.713	2.662	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(O)c2)cc1C	62166	XYTPVESZAQOCPI-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
CN[P@]1(=O)OC(c2ccccc2)=CCN1CCCl	6378932	GLVCYNSLPDEUSJ-SFHVURJKSA-N	286.699	2.926	50	40	CFGB	
CCCCc1ccc(NC(=S)NNC(=O)CC)cc1	6390538	PJBORVQLAWTCKK-UHFFFAOYSA-N	279.409	2.757	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2sccc2C)cc1	4739468	NJSCMVJQOGWXGO-RQZCQDPDSA-N	287.388	2.927	50	40	CFGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccccc2O)c1	408754809	SCEUZAFXWRFCMK-UKTHLTGXSA-N	294.310	2.946	50	40	CFGB	
CC1(C)CC(=O)[C@@H]2C(C(C)(C)CCl)=NN[C@@H]2C1	228935031	ILYXLRMLDQIGMY-PSASIEDQSA-N	256.777	2.585	50	40	CFGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@]2(CO)CCCN12	1857776025	UEZMBVPCOJWAER-DZGCQCFKSA-N	285.504	2.998	50	40	CFGB	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccc(N)c1	5249891	LZHSWQVOFAJFTB-YFGIWCPESA-N	293.370	2.913	50	40	CFGB	
ClCCN(CCCl)Cc1ccc2c(c1)OCO2	1681289	NTTGPAHBONWTDC-UHFFFAOYSA-N	276.163	2.695	50	40	CFGB	
C[C@H](Br)C1(c2ccccc2)OCCO1	1726764	XVCCETUPKGWPKC-VIFPVBQESA-N	257.127	2.670	50	40	CFGB	
N#CC(C(=O)CN1CCCCCC1)=C1Nc2ccccc2N1	1940791	IVRGWMZTILZMCH-UHFFFAOYSA-N	296.374	2.704	50	40	CFGB	
N#CC(C#N)=Cc1ccc(I)cc1	32192025	NIUMNIHLRRGMNK-UHFFFAOYSA-N	280.068	2.722	50	40	CFGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(N)=O)o1	33314857	JHIQOYBWJGKNOW-YFHOEESVSA-N	297.270	2.556	50	40	CFGB	
CC/C(C)=N\NC(=O)c1cc(-c2ccccc2)n[nH]1	175192	WPHJPGSLIAUYCD-GDNBJRDFSA-N	256.309	2.592	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1	33294786	ZOEKQGJHXAAQLM-YVLHZVERSA-N	284.363	2.780	50	40	CFGB	
O=C(N/N=C/c1cccnc1)c1ccc2ccccc2c1	54883526	JGXYSFIOULKSAA-XDHOZWIPSA-N	275.311	2.999	50	40	CFGB	
C[C@@H]1CCC/C(=N\NC(=O)COc2ccc(C#N)cc2)C1	5164449	OIIVVLXQJLSJCF-FNFFHQHPSA-N	285.347	2.619	50	40	CFGB	
CCCC(=O)NNC(=S)Nc1ccc(C)c(Cl)c1	6397431	MNHNEJKHSKSBTE-UHFFFAOYSA-N	285.800	2.766	50	40	CFGB	
Cn1c(/C=C(\C#N)C(N)=S)ccc1-c1ccccc1	67299964	ROPSLFNRXVOROI-FMIVXFBMSA-N	267.357	2.885	50	40	CFGB	
N#C/C(=C/c1ccc(O)cc1O)C(=O)Nc1ccccc1F	408816346	LFJFFGXKRYMQHI-XFFZJAGNSA-N	298.273	2.783	50	40	CFGB	
Cc1ccccc1/C=N/NC(=O)c1ccc(C#N)cc1F	408966424	LOJIJGQDNWUCOT-VXLYETTFSA-N	281.290	2.770	50	40	CFGB	
O=C(OCCCCBr)[C@@H]1CC1(Cl)Cl	5377092	BPKZPGZKWXAUEW-LURJTMIESA-N	289.984	2.899	50	40	CFGB	
O=NN(CCCl)C(=O)NC1C2CC3CC(C2)CC1C3	5119285	DZYZMLMCSKKNSA-UHFFFAOYSA-N	285.775	2.743	50	40	CFGB	
Cn1cccc1/C=C(\C#N)C(=O)Nc1ccccc1	20428478	NKICVPPUFWQVCL-ZRDIBKRKSA-N	251.289	2.571	50	40	CFGB	
O=C(NNc1cccc(Cl)n1)c1ccc(Cl)nc1	480220	DCLQADOJKPPQLC-UHFFFAOYSA-N	283.118	2.540	50	40	CFGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)c1	6679345	RFNKJEXWWVHEJU-JYRVWZFOSA-N	294.310	2.946	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(C#N)cc1F	408968760	YRZVJTLRTLXGNT-CAOOACKPSA-N	287.319	2.831	50	40	CFGB	
O=C(N/N=C/c1ccnc2ccccc12)c1ccccc1O	2449736	ULFBABPETWHPDV-YBFXNURJSA-N	291.310	2.704	50	40	CFGB	
CC1(C)CC(=O)C=C(NNC(=O)c2ccccc2Cl)C1	5977475	IAYCDEFGUHPENQ-UHFFFAOYSA-N	292.766	2.847	50	40	CFGB	
CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCC(C)C	6209241	LLCHFSWXLQDNOP-NTUHNPAUSA-N	288.347	2.512	50	40	CFGB	
COc1ccc(COC(=O)N/N=C/c2cccc(C)n2)cc1	32410	PLGKJJHURUWKIM-LICLKQGHSA-N	299.330	2.659	50	40	CFGB	
O=S(=O)(c1ccccc1)[C@H]1C=CC=C[C@@H](Cl)C1	339746	YZNVVEYZHQOPGD-YPMHNXCESA-N	268.765	2.952	50	40	CFGB	
CC[C@H](CC(C)C)C(=O)OCCBr	2042419	UNKLIOBUKAZMDW-SECBINFHSA-N	251.164	2.997	50	40	CFGB	
O=NN(CCBr)C(=O)Nc1ccccc1	4896421	XADMZUSUWKGKLS-UHFFFAOYSA-N	272.102	2.597	50	40	CFGB	
CCC(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccco2)cc1	357447	IKTPRUZCDRESCD-WOJGMQOQSA-N	299.330	2.782	50	40	CFGB	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc(Cl)c1	5379692	KIKMKDCKUHZDDU-UHFFFAOYSA-N	285.731	2.901	50	40	CFGB	
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21	66792	JSINZKYQKSXBQD-MRXNPFEDSA-N	294.310	2.619	50	40	CFGB	
NC(=O)N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1	6220363	NVCORQCZIFYNBP-OMCISZLKSA-N	281.674	2.741	50	40	CFGB	
C=Cc1ccc([C@@H](C)[Si](OC)(OC)OC)cc1	196731154	ZVDJGAZWLUJOJW-LLVKDONJSA-N	252.386	2.850	50	40	CFGB	
COc1ccc([C@@H]2C(C#N)=C(N)Nc3oc(C)nc32)cc1C	125737	RZIRHVJGQKVAFB-CYBMUJFWSA-N	296.330	2.551	50	40	CFGB	
NC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	503585	CPHCJGHXKFSDLA-VXLYETTFSA-N	292.342	2.692	50	40	CFGB	
Cc1ccc(NC(=O)CCl)c2c1CC(C)(C)O2	4104958	PYYLSOLYRJBKHX-UHFFFAOYSA-N	253.729	2.886	50	40	CFGB	
C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C	4656549	LMVIELBUGDJXBP-ZROIWOOFSA-N	263.297	2.747	50	40	CFGB	
C[C@@H](Cl)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2	4077300	KGQSNMLRFSCDBB-SSDOTTSWSA-N	287.816	2.951	50	40	CFGB	
Cc1cc(-n2c(C)cc(C(=O)CCl)c2C)no1	2641084	AQWWIOJBPOBUDQ-UHFFFAOYSA-N	252.701	2.812	50	40	CFGB	
CCCOC(=O)c1cccc(NC(=O)C(Cl)Cl)c1	4039271	VEHBQMHKNXAOKO-UHFFFAOYSA-N	290.146	2.996	50	40	CFGB	
O=S(=O)(c1ccccc1)C1[C@@H]2CCC[C@@H]1C2Cl	101183442	ITYHHDMRFWDMBV-OKZRHMCRSA-N	270.781	2.866	50	40	CFGB	
C/C(=N\NC(=O)NC1CCCCC1)c1ccccc1O	105508054	WJTCUVVSQHARPN-GZTJUZNOSA-N	275.352	2.748	50	40	CFGB	
CCCNC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(F)cc1	5728022	LUAKYYHOPQRBRD-WQLSENKSSA-N	298.321	2.649	50	40	CFGB	
CCOc1cccc(/C=N/NC(=O)Cc2ccccc2)c1	408590828	QQWKGQOMGBXTFM-QGOAFFKASA-N	282.343	2.778	50	40	CFGB	
COc1ccc2[nH]cc(C(=O)CBr)c2c1	36925229	AAVNGZHTRONKQB-UHFFFAOYSA-N	268.110	2.754	50	40	CFGB	
CCOC(=O)[C@@H](CC)C(C)=NNC(=O)c1cccc(C)c1	245232561	XPNZNPZITSTAKW-AWEZNQCLSA-N	290.363	2.690	50	40	CFGB	
COC(=O)N/N=C/c1c(Cl)[nH]c2ccccc12	553102	KHFBPGFCCACYJA-AWNIVKPZSA-N	251.673	2.511	50	40	CFGB	
Cc1ccc(N(CCC#N)C(=O)CCl)cc1C	3068449	QJDWWNYLGUJMCH-UHFFFAOYSA-N	250.729	2.789	50	40	CFGB	
COc1ccc(/C=N/NC(=O)OC(C)(C)C)c(OC)c1	3574683	IPRMIYIQSBMQNB-OQLLNIDSSA-N	280.324	2.562	50	40	CFGB	
CNC(=O)/C(C#N)=C\c1c(OC)ccc2ccc(OC)cc12	409004587	APBONYBHLUMESZ-WQLSENKSSA-N	296.326	2.510	50	40	CFGB	
CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C	3887366	JVNGIXTYBDQIED-ZETCQYMHSA-N	257.717	2.618	50	40	CFGB	
CCCNC(=O)/C(C#N)=C\c1cc(Br)cs1	17024684	KYFWQIKPSMPMED-YWEYNIOJSA-N	299.193	2.944	50	40	CFGB	
CN(C)c1ccc(/C=N\NC(=O)Cc2cccs2)cc1	31841414	DRVFAWCLEUBYSI-WJDWOHSUSA-N	287.388	2.507	50	40	CFGB	
CC(=O)Nc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1	31739574	ARFWVASDJZLORK-WQRHYEAKSA-N	295.342	2.717	50	40	CFGB	
NNC(=O)c1ccc2nc(-c3ccc(F)cc3)sc2c1	73635172	UWKAWTMFUOTJLN-UHFFFAOYSA-N	287.319	2.706	50	40	CFGB	
CC(C)(CCl)C(=O)c1ccc2c(c1)OCCO2	575356863	HOEGDANGBNVRHZ-UHFFFAOYSA-N	254.713	2.906	50	40	CFGB	
N#C/C(=C\c1ccccc1Cl)C(=O)N1CCCC1	3171267	MHVRGRVZLLJJPQ-FMIVXFBMSA-N	260.724	2.869	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1cccs1	12576586	YEURDXWNPPTCLH-NTEUORMPSA-N	289.316	2.810	50	40	CFGB	
O=C(Cn1ccc2ccccc21)N/N=C/c1cccs1	4676222	URZWCWVXDJFWRE-MHWRWJLKSA-N	283.356	2.853	50	40	CFGB	
O=C1c2ccccc2C(=O)N1Cc1cccc(CCl)n1	90500408	TUIUWOKXRRHHPA-UHFFFAOYSA-N	286.718	2.617	50	40	CFGB	
ClC[C@@H]1CN(Cc2ccccc2Cl)CCO1	19855142	GMRPTPFVUNCUFC-LLVKDONJSA-N	260.164	2.780	50	40	CFGB	
Cc1cc(N(Cc2ccncc2)C(=O)CCl)ccc1O	199756194	UAYTYGGQBYFZBT-UHFFFAOYSA-N	290.750	2.868	50	40	CFGB	
N#C/C(=C\c1ccccc1)C(=O)N1CCCCCC1	3279480	YFYWTKAHVROAOZ-NTCAYCPXSA-N	254.333	2.996	50	40	CFGB	
N#C/C(=C\c1ccc(Cl)s1)C(=O)NC[C@@H]1CCCO1	2795168	TWASTDRMXLARCE-ZKXNXJMVSA-N	296.779	2.604	50	40	CFGB	
O=C(N/N=C1/CCc2ccccc21)c1cccs1	34861862	TXNOVNIRHMPBAE-QINSGFPZSA-N	256.330	2.828	50	40	CFGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccc2c(c1)OCCO2	6674836	BZVIMVZBQQOMEE-MHWRWJLKSA-N	292.335	2.707	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2cc(C)ccc2[C@@H](C)CC1(C)C	223202628	GNDILWXLGMSXND-GXTWGEPZSA-N	289.423	2.856	50	40	CFGB	
O=C(Nc1ccccc1)N(CCCl)CCCl	1691371	PGHIKNBDKCPTOU-UHFFFAOYSA-N	261.152	2.998	50	40	CFGB	
O=C(COC1=CCCC1)N/N=C/c1ccccc1Cl	222804	WMMFRYZGOPTTTC-CXUHLZMHSA-N	278.739	2.875	50	40	CFGB	
CCC(CC)=NNC(=O)C(=O)Nc1ccc(Cl)cc1C	4524516	HSWNQYQQLOYJRQ-UHFFFAOYSA-N	295.770	2.879	50	40	CFGB	
O=C(NCC(F)(F)F)N/N=C1/CCCc2ccccc21	103623889	FMQKSPGVWYXEIP-WQRHYEAKSA-N	285.269	2.589	50	40	CFGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1C[C@H]1CCCO1	3218792	GFWUOFVANQQBIR-OAHLLOKOSA-N	255.321	2.632	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)OCC#N)c(C)n1CC(C)C	3303213	UIHNCXQOWBMFTF-OVCLIPMQSA-N	285.347	2.735	50	40	CFGB	
C/C(=N\NC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1	13056516	DMONONSLSRDILU-NTEUORMPSA-N	289.316	2.810	50	40	CFGB	
Cc1cccc(NCC(=O)N/N=C/c2ccccc2C)c1	4746715	PVTVYDKMCVCGLC-YBFXNURJSA-N	281.359	2.866	50	40	CFGB	
C/C(=N\NC(=O)c1cccnc1)c1cn(C)c2ccccc12	409037343	NGAVAAJVRVAQFT-XDHOZWIPSA-N	292.342	2.727	50	40	CFGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccco2)c(O)c1	408586423	BWCQWIUZCBIGKL-CXUHLZMHSA-N	288.303	2.536	50	40	CFGB	
Cc1ccc(C[C@@H](Br)C(=O)O)c(C)c1	76306416	QOIXAVRQLYTYRS-SNVBAGLBSA-N	257.127	2.694	50	40	CFGB	
NNC(=O)/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1	226256484	JKGXXELWMLRYLT-ZZXKWVIFSA-N	280.686	2.742	50	40	CFGB	
CC(C)[C@@H](C(=O)NN)N1c2ccccc2[C@@H](C)CC1(C)C	223213891	AKZTVQZNMKVISV-WFASDCNBSA-N	289.423	2.793	50	40	CFGB	
CC(=O)CCN(Cc1ccccc1)NC(=O)c1ccccc1	3151183	AADQVCNGMCQIAD-UHFFFAOYSA-N	296.370	2.813	50	40	CFGB	
O=C(Cl)[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O	1715402	XVNYYFQWEYONQY-ZDUSSCGKSA-N	299.713	2.789	50	40	CFGB	
C[C@@H](OC(=O)Cl)c1cc2c(cc1[N+](=O)[O-])OCO2	4352632	LLQGXKKNTCFHEE-RXMQYKEDSA-N	273.628	2.760	50	40	CFGB	
C=CCOc1ccccc1/C=N/NC(=O)Cc1ccccc1	4117876	UBCVHXAHWAFNRI-XMHGGMMESA-N	294.354	2.944	50	40	CFGB	
CCOc1cccc(/C=N\NC(=O)c2cccs2)c1	32704817	NTFPGZYCIBEGKP-GDNBJRDFSA-N	274.345	2.911	50	40	CFGB	
COc1ccc(C[C@H](Br)C(=O)O)cc1Cl	76545192	INHUZXOWBFAPMA-ZETCQYMHSA-N	293.544	2.739	50	40	CFGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC	215798965	IXUDKFMUCQCCGU-JYRVWZFOSA-N	288.347	2.525	50	40	CFGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(N)=O	5067950	YETLWLHKFGCWGI-XNTDXEJSSA-N	278.311	2.658	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)c2cccc(F)c2)cc1	13954139	YZCBZLDQOOJBBK-WOJGMQOQSA-N	286.306	2.988	50	40	CFGB	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(C)o1	6436505	MNXYXFYCZCBINC-UHFFFAOYSA-N	292.722	2.625	50	40	CFGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2cccs2)c1	345353	STORRIRZOMTNAO-CXUHLZMHSA-N	288.372	2.894	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccccc2C)o1	370064	VSRRETRSLGEDJP-VGSSETLESA-N	285.347	2.847	50	40	CFGB	
C[C@H]1CCC/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)C1	12403626	LNULKSJGQLMVAN-PTFXAJSMSA-N	275.308	2.891	50	40	CFGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc(C)c(C)c1	5163200	JIJCJMNOFKUBHX-QGOAFFKASA-N	267.332	2.852	50	40	CFGB	
C[C@H]1CCCC/C1=N\NC(=O)COc1ccc(C#N)cc1	5164444	RTPBXWJXYHPSHS-ZSPVLXODSA-N	285.347	2.619	50	40	CFGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C1\CCSC1	4507137	BMJQQHATULFDLY-RVDMUPIBSA-N	298.795	2.636	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1F)c1ccc(C#N)cc1	5415483	DEXFHIKWAINLDS-YBFXNURJSA-N	281.290	2.851	50	40	CFGB	
O=[N+]([O-])c1ccc(F)c(CBr)c1F	97447196	XENWYBOBVSNBRA-UHFFFAOYSA-N	252.014	2.768	50	40	CFGB	in-vitro
CC(C)(C)OC(=O)NNC(=S)c1ccc(F)cc1	118049473	AUJIDCIRIPPJTK-UHFFFAOYSA-N	270.329	2.531	50	40	CFGB	
N#CC1=C2CCCCCN2c2cc(F)ccc2S1(=O)=O	67172873	QWQPAPQXQSPFOQ-UHFFFAOYSA-N	292.335	2.729	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1	409000096	MMLYQFWFZZWKLL-CXUHLZMHSA-N	291.738	2.763	50	40	CFGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(C)=O)cc1Cl	409010315	BZWQJMWZWGFJIS-KOLYXTFFSA-N	268.744	2.987	50	40	CFGB	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccc(O)cc2)c1	245204306	QTCITHCEULFNGK-ZDUSSCGKSA-N	298.342	2.618	50	40	CFGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccco2)c1	16991342	UGMKFZAARDKIAY-DHZHZOJOSA-N	268.272	2.834	50	40	CFGB	
O=C1OC(=O)[C@H]2C(Cl)=C(Cl)C(Cl)=C(Cl)[C@H]12	100494233	HFUBWSYLMUCDLL-JCYAYHJZSA-N	287.913	2.694	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1	83319362	CNEUZNCXIBIMPM-AMRJIULGSA-N	296.370	2.959	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/[C@H]2C[C@H]3C=C[C@@H]2C3)cc1	225605091	HHDYTLZRTTYXIY-DCKXEZTHSA-N	284.359	2.552	50	40	CFGB	
CC(C)[C@H](C(=O)NN)N1c2ccccc2[C@H](C)CC1(C)C	260612701	AKZTVQZNMKVISV-IUODEOHRSA-N	289.423	2.793	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)c1cccc(F)c1	13966585	YAOPRGXMHNEIQR-OVCLIPMQSA-N	262.309	2.960	50	40	CFGB	
C/C(CC(=O)NC1CCCC1)=N\NC(=O)C1CCCCC1	12601485	HLSGYFKLXVDLMD-LDADJPATSA-N	293.411	2.508	50	40	CFGB	
O=C(c1ccccc1)[C@@H](Cl)C(=O)C(F)(F)F	100496761	JIKVHDUUAACUNO-SSDOTTSWSA-N	250.603	2.608	50	40	CFGB	
Cc1cc(N2CCSCC2)ccc1NC=C(C#N)C#N	50530206	NMRHJCXWJIXHEC-UHFFFAOYSA-N	284.388	2.891	50	40	CFGB	
CCN(CC)c1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc1	104999820	URHOOZIUBBUGPX-NTEUORMPSA-N	291.358	2.700	50	40	CFGB	
COc1ccc(-c2cnoc2NC(=O)CCl)cc1	44845774	YZSNJVPWFJVOJM-UHFFFAOYSA-N	266.684	2.528	50	40	CFGB	
OC[C@@H](Br)[C@@H](Br)c1ccccc1	136655039	QBFQIVMHGSMOJV-BDAKNGLRSA-N	293.986	2.878	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2cc(C)ccc2[C@H](C)CC1(C)C	260616185	GNDILWXLGMSXND-OCCSQVGLSA-N	289.423	2.856	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2ccccc2[C@H](C)CC1(C)C	260619625	OUEUJBBECLCHNL-YPMHNXCESA-N	275.396	2.547	50	40	CFGB	
ClCCN1CCC(C2CCN(CCCl)CC2)CC1	1584238	JQIFJRXHLHKEAJ-UHFFFAOYSA-N	293.282	2.888	50	40	CFGB	
CCOc1ccc(NC(=O)NCBr)cc1	1765705	MHJYNVQGRBGDDT-UHFFFAOYSA-N	273.130	2.559	50	40	CFGB	
O=P1(Cl)OCC2(CO1)COP(=O)(Cl)OC2	100374007	OCSPARJUBMYNLY-UHFFFAOYSA-N	296.967	2.760	50	40	CFGB	
Cc1c(/C=C(\C#N)C(N)=S)c2ccccc2n1C	408545041	XYVWROAGRZKLIN-JXMROGBWSA-N	255.346	2.680	50	40	CFGB	
O=C(Cl)c1cc(-n2cnnc2)c(Cl)cc1Cl	70461736	XGKNEMIFDJKNDJ-UHFFFAOYSA-N	276.510	2.953	50	40	CFGB	
Fc1ccc(-c2ccc3nnc(CCl)n3n2)cc1	96516518	YVDNDGQBWGRKAA-UHFFFAOYSA-N	262.675	2.669	50	40	CFGB	
Cc1ccc(N[C@@H](C)C(=O)N/N=C/c2ccc(O)cc2)cc1	2747353	LUXALYKHXJRBII-FHXOWUIVSA-N	297.358	2.651	50	40	CFGB	
O=C(N/N=C1/CCCCc2ccccc21)c1ccncc1	34767450	PITYEZBZKYJLIG-MNDPQUGUSA-N	279.343	2.942	50	40	CFGB	
CO[C@@H](C(=O)N/N=C/c1ccc(C)cc1)c1ccccc1	59471517	CDMGCWIGYFAOBT-YAJBTMAUSA-N	282.343	2.833	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(C)cc1)c1cccc(O)c1	5540417	BEJDRZQOWGABKU-SFQUDFHCSA-N	268.316	2.855	50	40	CFGB	
O=C(Cc1cccs1)N/N=C/C=C\c1ccco1	4746487	HTQHGHNAJKTWPN-CQMNRWPUSA-N	260.318	2.699	50	40	CFGB	
CCc1ccc(C(=O)N/N=C(\C)c2ccncc2)s1	15933975	BPGMVKJSODHBDI-MHWRWJLKSA-N	273.361	2.860	50	40	CFGB	
N#C/C(=C/c1cccs1)C(=O)Nc1ccc(C(=O)O)cc1	97990599	RHZRBNKJTHMULO-FLIBITNWSA-N	298.323	2.992	50	40	CFGB	
C[C@H]1CC(C)(C)N([C@@H](C)C(=O)NN)c2ccc(Cl)cc21	223195607	KLNBMOSPSYWYEM-UWVGGRQHSA-N	295.814	2.811	50	40	CFGB	
CC1=CC[C@@H](C(=O)N/N=C/c2ccccc2O)CC1	255189606	RARAHQUTUXNAQH-HMHNVIDESA-N	258.321	2.589	50	40	CFGB	
C[C@@H](C(=O)NN)N1c2ccc(Cl)cc2[C@H](C)CC1(C)C	260619386	KLNBMOSPSYWYEM-ZJUUUORDSA-N	295.814	2.811	50	40	CFGB	
Cc1ccc(C(=O)[C@@H](Br)CC(=O)O)c(C)c1	19927088	RECJKUOILVKCFS-JTQLQIEISA-N	285.137	2.724	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	512132	SSULBRAXGPPQPG-GZTJUZNOSA-N	297.314	2.596	50	40	CFGB	
[O-][n+]1ccccc1S[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1Cl	1443679	VPJMOIZJZVYUCD-LUTQBAROSA-N	255.770	2.818	50	40	CFGB	
Nc1cc(OCCCCCBr)ccn1	98175370	NMCWCSMRLVCLGX-UHFFFAOYSA-N	259.147	2.608	50	40	CFGB	
BrCCOCc1nc2c(s1)CCCC2	96528163	HJTPSBMXMDVMIR-UHFFFAOYSA-N	276.199	2.933	50	40	CFGB	
N#C/C(=C\c1ccc(O)cc1O)C(=O)Nc1ccccc1	6240965	CIQRIUTZIOTVOY-XYOKQWHBSA-N	280.283	2.643	50	40	CFGB	
[C-]#[N+][C@@H](c1ccccn1)S(=O)(=O)c1ccc(C)cc1	101025680	ULEYWRQECJPVGM-CQSZACIVSA-N	272.329	2.782	50	40	CFGB	
N#C/C(=C/C=C/c1ccccc1)C(=O)NCc1cccnc1	227256	PEQAOXWRBPFEKE-KCTVJHQVSA-N	289.338	2.861	50	40	CFGB	
O=S(=O)(c1ccccc1)[C@@H]1C=CC=C[C@H](Cl)C1	339741	YZNVVEYZHQOPGD-WCQYABFASA-N	268.765	2.952	50	40	CFGB	
O=C(O)c1ccc(OCCCBr)cc1	8731604	BHMIYTJIGXLOBM-UHFFFAOYSA-N	259.099	2.549	50	40	CFGB	
Cn1cccc1/C=N/NC(=O)c1ccc2ccccc2c1	54883648	UAZZFIXSVSPSDL-LDADJPATSA-N	277.327	2.942	50	40	CFGB	
CC[C@@]1(c2ccccc2)CCCC/C1=N\NC(N)=O	104259177	ZZBXPPYFVYWOJM-XOAFGZPJSA-N	259.353	2.933	50	40	CFGB	
CC1CCC(=C(C#N)C(=O)NCc2ccco2)CC1	6634508	XIVJGZVKEBRGIW-UHFFFAOYSA-N	258.321	2.926	50	40	CFGB	
CC(C)NC(=O)N/N=C1/CCCCc2ccccc21	84620531	MNQBCCJIIBBARO-VKAVYKQESA-N	259.353	2.825	50	40	CFGB	
O=C(NNc1ccc([N+](=O)[O-])cc1F)C1CCCCC1	9510857	CJCWUXPAUXLWOT-UHFFFAOYSA-N	281.287	2.757	50	40	CFGB	
CCNC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCC	408815456	HSPAYUNLPPEFCB-YRNVUSSQSA-N	278.739	2.782	50	40	CFGB	
N#CC1=C[C@H](c2ccccc2)C[C@@H](N2CCCC2=O)O1	4267409	HRZGCSGSLSOLQZ-BBRMVZONSA-N	268.316	2.546	50	40	CFGB	biogenic
O=C(OCCCl)c1snnc1-c1ccc(F)cc1	223841680	SNLDHRFNLIITGD-UHFFFAOYSA-N	286.715	2.740	50	40	CFGB	
COC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccco2)c1C	5753250	CVEHCGSRHSRMIH-YRNVUSSQSA-N	298.298	2.801	50	40	CFGB	
CO[C@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br	253533049	IYPLSDZKBBXDCH-IGQOVBAYSA-N	296.208	2.669	50	40	CFGB	
C=CCSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1	9110899	ZQMMDNKNXIHOKE-LBPRGKRZSA-N	270.357	2.944	50	40	CFGB	
BrC[C@@H]1CCO[C@H](c2ccccc2)O1	2581375	LZPOSTLTDVMAGB-QWRGUYRKSA-N	257.127	2.886	50	40	CFGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccccn2)cc1	59473452	FUFGLNOHDFWNEM-VCHYOVAHSA-N	299.399	2.774	50	40	CFGB	
CC1(C)CC(=O)C/C(=N\NC(=O)C2[C@@H]3CCCC[C@@H]23)C1	100506206	PPMVTAATPZLMJM-HSFOFRNISA-N	276.380	2.674	50	40	CFGB	
CCCCCCCC(=O)NNC(=S)N1CCCCC1	103404202	NNYSNYCJNBDUCJ-UHFFFAOYSA-N	285.457	2.739	50	40	CFGB	
CCc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1	5318326	OEJWUPDVOXBALH-LDADJPATSA-N	267.332	2.798	50	40	CFGB	
O=c1cc(-c2ccc(Cl)cc2)nc(CCl)[nH]1	72207459	DZLIFMZPIKBZSK-UHFFFAOYSA-N	255.104	2.829	50	40	CFGB	
CCN(Cc1ccccc1)[C@H]1CCCN(C(=O)CCl)C1	79414910	GHZGONXOYJVENH-HNNXBMFYSA-N	294.826	2.738	50	40	CFGB	
Cn1cc(C(=O)N/N=C\c2ccc(O)cc2)c2ccccc21	34895980	UAFCNBLDRWTUGN-ZDLGFXPLSA-N	293.326	2.648	50	40	CFGB	
CC[C@H](C)n1c(CCc2ccccc2)ccc1C(=O)NN	226028555	SQBXJLKFMFFARI-ZDUSSCGKSA-N	285.391	2.848	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2/C[C@@H]3CC[C@H]2C3)c1O	16989804	RNHVRARFPRPHMP-SFZWNRONSA-N	258.321	2.606	50	40	CFGB	
C=CCSC1=C(C#N)[C@H](c2ccc(C)o2)CC(=O)N1	9109596	RQHFGOYDPYINBU-SNVBAGLBSA-N	274.345	2.846	50	40	CFGB	
N#C[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br	2558014	DEEVDUKZMAWCQE-YIYPIFLZSA-N	291.192	2.794	50	40	CFGB	
C[C@H](Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	4207066	RIVSJAATNOYXMI-LURJTMIESA-N	253.645	2.945	50	40	CFGB	
COc1ccc(OC)c2c1C[C@H](CCl)CC2=O	4553484	AKFUKQXEBKUPQG-QMMMGPOBSA-N	254.713	2.688	50	40	CFGB	
CN(NC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1	9364728	SULRRFMYJSRHQV-UHFFFAOYSA-N	294.310	2.574	50	40	CFGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(N)=O)cc1Cl	409017804	VWNGVQZMPFAOKT-BQNBSLLUSA-N	269.732	2.520	50	40	CFGB	
Cn1c(SCCCCl)nnc1-c1ccccc1CN	228978682	DOTDNPNUDDMJSR-UHFFFAOYSA-N	296.827	2.662	50	40	CFGB	
CCO[Si](C)(CCP(=O)(OC)OC)OCC	220805075	KSNNOYDBDGXZTI-UHFFFAOYSA-N	270.338	2.617	50	40	CFGB	
Cc1nc(C(F)(F)F)ccc1NC(=O)CCl	42784465	WXJFWTCPXGGGDJ-UHFFFAOYSA-N	252.623	2.586	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Cl	1759829	DOTVINAUVQPFIC-WEVVVXLNSA-N	280.667	2.718	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1	13603399	DCNSWMDPYUQSJN-CXUHLZMHSA-N	277.327	2.613	50	40	CFGB	
O=C(NCC(F)(F)F)N/N=C1/CCCCc2ccccc21	84606385	INDMSQMEQKCHSX-UNOMPAQXSA-N	299.296	2.979	50	40	CFGB	
NNC(=O)c1cc2ccc(C(F)(F)F)cc2s1	32911329	UACNNQTXWMOXIK-UHFFFAOYSA-N	260.240	2.524	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1N)c1ccc(C)cc1	409045933	QCGVZHIHGHRRMF-LDADJPATSA-N	267.332	2.731	50	40	CFGB	
O=C(CCCC[C@@H]1CCSS1)N1C[C@H]2C[C@H]1CO2	374929877	LUYGIKDMIRVAGN-QJPTWQEYSA-N	287.450	2.700	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)N2CCC(C)CC2)cc1	140207	YCSNDXZUKOFCAT-RVDMUPIBSA-N	284.359	2.861	50	40	CFGB	
Cc1nn(Cc2ccccc2)c(C)c1C=C(C#N)C#N	16406522	JHOCIPOYDXSXAG-UHFFFAOYSA-N	262.316	2.979	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1[N+](=O)[O-]	102208176	CFPPWGPKIMBLIM-IIJMIFMCSA-N	287.319	2.747	50	40	CFGB	
Cc1nc2ccccc2c(=O)n1C(C)(C)CCl	1729483	AFEVTCAJCCOMQB-UHFFFAOYSA-N	250.729	2.679	50	40	CFGB	
Fc1ccccc1C1=NO[C@H](CBr)C1	217841495	YINLLFKTRKNDHF-ZETCQYMHSA-N	258.090	2.714	50	40	CFGB	
CC[C@H](Br)C(=O)N1CCCC[C@@H]1CC	32919617	HPIFPOOZFCOCLA-UWVGGRQHSA-N	262.191	2.951	50	40	CFGB	
COC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1Cl	100246881	OTGZWZJMASTVHO-SREVYHEPSA-N	271.103	2.986	50	40	CFGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccco2)cc1	4723667	CMEHUHARULIQCQ-LUAWRHEFSA-N	268.272	2.834	50	40	CFGB	
O=C(N/N=C/C=C\c1ccccc1)c1ccccn1	19877105	YOVZDLVBJIJMEF-CGVLLOTDSA-N	251.289	2.511	50	40	CFGB	
COc1ccc(N(Cc2ccncc2)C(=O)CCl)cc1	199756622	OQCOFEOGSLFFMK-UHFFFAOYSA-N	290.750	2.862	50	40	CFGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccn1C	205794785	YZYFMEDUYXNVCR-RAXLEYEMSA-N	265.316	2.879	50	40	CFGB	
Cc1cccc(N[C@@H]2SC(=O)N(CCCl)C2=O)c1	12113048	ZBFZWRWFDJEFKM-SNVBAGLBSA-N	284.768	2.667	50	40	CFGB	
O=Cc1ccc(OCCBr)c(Cl)c1	78210625	CGQIAJMBRLPDTP-UHFFFAOYSA-N	263.518	2.926	50	40	CFGB	in-vitro
COC(=O)CCP(c1ccccc1)c1ccccc1	1678893	HCZDSQSBFCVXFG-UHFFFAOYSA-N	272.284	2.682	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)cc1	3220727	KLESPLTYIIFMLT-LDADJPATSA-N	281.359	2.825	50	40	CFGB	
CC/C(C)=N\NC(=O)CNc1cccc(Cl)c1C	4700108	ALUKUSGYSIIUQZ-SXGWCWSVSA-N	267.760	2.962	50	40	CFGB	
C[C@H](Oc1ccccc1F)C(=O)NNc1ccc(F)cc1	32796875	NETXYVKUJBIVFX-JTQLQIEISA-N	292.285	2.875	50	40	CFGB	
ClCc1nc(-c2ccc(N3CCCCC3)nc2)no1	98063847	BSEACJBFIZZQOO-UHFFFAOYSA-N	278.743	2.861	50	40	CFGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1	13338251	PWMGHGQIXBCRCO-GXDHUFHOSA-N	292.294	2.930	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)c1cccs1	4610909	JRWZNMYOTJJQNK-NTEUORMPSA-N	260.318	2.608	50	40	CFGB	
O=C(NNc1ccccc1)Nc1ccccc1[N+](=O)[O-]	40460208	FDENMLNOJYIYCZ-UHFFFAOYSA-N	272.264	2.743	50	40	CFGB	
CSC1=C(C#N)[C@H](c2ccc(C)s2)CC(=O)N1	506441	OEKSPBCHKUPWRQ-MRVPVSSYSA-N	264.375	2.758	50	40	CFGB	
O=C(CN(CCCl)CCCl)Nc1cccc(F)c1	1657377	BNIMSSXLBQYSLB-UHFFFAOYSA-N	293.169	2.544	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1[N+](=O)[O-]	1001381	CFPPWGPKIMBLIM-NDKUROHZSA-N	287.319	2.747	50	40	CFGB	
COc1c(C)cccc1C(=O)N/N=C/c1cccs1	59379300	HHESGYJKOKWIPE-OQLLNIDSSA-N	274.345	2.829	50	40	CFGB	
N#CCCN(C(=O)CCl)c1cccc(Cl)c1	3457878	QOVLCWIMQANPGW-UHFFFAOYSA-N	257.120	2.825	50	40	CFGB	
CCOC(=O)N/N=C(\C)c1ccccc1OC(F)F	5505622	CBUJHDXKSVMIMC-OVCLIPMQSA-N	272.251	2.758	50	40	CFGB	
CCOC(=O)/C(C#N)=C(\C)c1cc(F)ccc1F	256054004	UOYIVNMRYXAUTH-DHZHZOJOSA-N	251.232	2.825	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2)cc1	5045818	MBUXNIBHYUWWRR-SFQUDFHCSA-N	268.316	2.849	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(Br)s1	208071257	LPVVMRRLNDSPGC-YVMONPNESA-N	299.193	2.942	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)o1	2759436	NDKOBLYAPARBBS-RVDMUPIBSA-N	280.327	2.854	50	40	CFGB	
C[C@@H](Cl)C(=O)N(C)Cc1nc2ccccc2s1	37389627	XEDAOJOZFJRAIS-MRVPVSSYSA-N	268.769	2.882	50	40	CFGB	in-vitro
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc(F)c1	551017	SERFCUVBUYSFJZ-OAHLLOKOSA-N	282.274	2.749	50	40	CFGB	
Cc1cc(C(F)F)nn1CC(=O)N/N=C/[C@H]1CC=CCC1	6787341	SCHVJJXSMPVQOJ-CPWFCVNUSA-N	296.321	2.587	50	40	CFGB	
O=C(CCCCl)Nc1cc([N+](=O)[O-])ccc1F	6862955	UHHLIDPYIPFDHX-UHFFFAOYSA-N	260.652	2.691	50	40	CFGB	
Cc1cc(N(CC2CC2)C(=O)CCl)ccc1O	199758140	RJPBBGNSZPEMGT-UHFFFAOYSA-N	253.729	2.682	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2cccc(N)c2)c(C)c1	45752	ORUDNDRQZLYMQS-VCHYOVAHSA-N	267.332	2.650	50	40	CFGB	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(N)cc1	14922154	UTJKYRAPRVJEJK-UIPUUYQRSA-N	293.370	2.913	50	40	CFGB	
CCO[Si](CCO[C@@H]1CCCCO1)(OCC)OCC	575182306	ZHTRTWAZGJBUTD-CYBMUJFWSA-N	292.448	2.578	50	40	CFGB	
N#C/C(=C/C=C/c1ccco1)C(=O)NCc1ccco1	16991340	ZVPANMWQOZGUGP-BFEREASOSA-N	268.272	2.652	50	40	CFGB	
O=C(N/N=C1/CCCCCN1)c1ccccc1Cl	3187565	OUKYBMASLZWOQF-UHFFFAOYSA-N	265.744	2.547	50	40	CFGB	
Cc1cccc(C(=O)N/N=C/c2cc(C)ccc2O)c1	114391742	ZFZMVBSDSNWSRN-LICLKQGHSA-N	268.316	2.773	50	40	CFGB	
CSc1ccc(C(=O)CCl)cc1NC(C)=O	4219152	MEYMBNBCMWONRG-UHFFFAOYSA-N	257.742	2.788	50	40	CFGB	
CN(NC(=O)/C=C/c1ccccc1C#N)c1ccccc1	14015278	FAQWIGJGBDQUDM-VAWYXSNFSA-N	277.327	2.739	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1[nH]nc(C)c1-c1ccccc1	5343619	KRYBNBDYDLRCNO-JLHYYAGUSA-N	296.330	2.768	50	40	CFGB	
O=C(Cl)c1ccc([N+](=O)[O-])cc1C(F)(F)F	141223533	QLENXPZKYQCBKY-UHFFFAOYSA-N	253.563	2.993	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2)cc1	250980	MJJQIFFYZSZUSX-LDADJPATSA-N	298.342	2.945	50	40	CFGB	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1cccc(F)c1	196788	ZQDDHNXMFGSCCR-HNNXBMFYSA-N	281.290	2.626	50	40	CFGB	
N#CC1=C(S)N(c2ccccc2)[C@H](c2ccco2)NC1=O	4190513	LGQVQRZPJCQBQV-CYBMUJFWSA-N	297.339	2.580	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1)c1ccccc1F	4964502	LSAPTPWUWQYFGK-GZTJUZNOSA-N	256.280	2.980	50	40	CFGB	
C=CCSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1	409123284	BQLGSJUEZXZCMI-VIFPVBQESA-N	260.318	2.537	50	40	CFGB	
BrC[C@H]1CCN(Cc2ccccc2)C1	79436692	WSYMERCNLIPXPC-GFCCVEGCSA-N	254.171	2.903	50	40	CFGB	
N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)C(N)=O	536864	ZICVGDALTWNSPM-VQHVLOKHSA-N	295.323	2.949	50	40	CFGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc2ccccc2o1	546906	HUYNVPAPUBSRKR-OVCLIPMQSA-N	299.242	2.698	50	40	CFGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)NN=C1CCCC1	59515761	VJRFNOOENSRJRQ-UHFFFAOYSA-N	293.754	2.633	50	40	CFGB	
C[C@H]1CCC/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)C1	5164238	XUAMEZPLBCCPFZ-BUJFUIOPSA-N	288.347	2.509	50	40	CFGB	
O=C1c2cc(Cl)ccc2OC[C@H]1Br	4419526	BGFRLRMAEAPKOY-SSDOTTSWSA-N	261.502	2.679	50	40	CFGB	
C/C(=N\NC(=O)CCc1ccccc1)c1ccccn1	4610852	KVNMRPKFKCTJFM-QGOAFFKASA-N	267.332	2.555	50	40	CFGB	
Cc1ccc(C)c(C(=O)NNC(=O)c2cc(C)oc2C)c1	5823390	VLSFVGWRXULTNF-UHFFFAOYSA-N	286.331	2.588	50	40	CFGB	
N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccn1	89878902	BGCSQNRYIKEBDK-WZUFQYTHSA-N	295.254	2.783	50	40	CFGB	
CC(C)=C[C@@H]1[C@@H](C(=O)NNc2nc(C)cc(C)n2)C1(C)C	65503290	JFAQVSKTJLSZHY-OLZOCXBDSA-N	288.395	2.775	50	40	CFGB	
COC(=O)c1cnc2cc(CBr)ccc2c1	142579396	XEDXNKKCIODEBB-UHFFFAOYSA-N	280.121	2.916	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(O)cc1)[C@H]1C[C@H]2CC[C@@H]1C2	5725362	PCNFIBVMSMWWPY-FYLHXOMUSA-N	272.348	2.934	50	40	CFGB	
N#Cc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1	33049	JADBSPCJRDCYCY-CPNJWEJPSA-N	277.327	2.641	50	40	CFGB	
Cc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1	16991013	LKRNVHGNBHVQHS-ZROIWOOFSA-N	266.300	2.811	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1cccc(O)c1	28169	MUWOJQUQENPYQR-CXUHLZMHSA-N	274.707	2.810	50	40	CFGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1	57787073	PUDPYYXVXNONRT-VCHYOVAHSA-N	283.718	2.976	50	40	CFGB	
C/C(=N\NC(=O)C1CC1)c1ccc2ccccc2c1O	409189106	IPAMTOFHJXNZKW-LICLKQGHSA-N	268.316	2.796	50	40	CFGB	
COc1cc(I)ccc1C(=O)Cl	45957476	RLCVKFOMAPMGNM-UHFFFAOYSA-N	296.491	2.679	50	40	CFGB	
O=C(O)[C@@H](c1ccccc1)[C@](O)(CCl)c1ccccc1	1593514	PQOAUXGNUMAXPW-ZBFHGGJFSA-N	290.746	2.981	50	40	CFGB	
CO[C@H](c1ccc2c(c1)OCO2)[C@H](C)Br	1608719	JQJJDOUHCWKQHF-CPCISQLKSA-N	273.126	2.886	50	40	CFGB	
O=C(O)[C@H](Cl)CSc1nc2ccccc2o1	4713664	UTWNACZGRSGSPC-ZCFIWIBFSA-N	257.698	2.612	50	40	CFGB	
CS(=O)(=O)c1ccc(-c2nc(CCl)cs2)cc1	57218480	PMWZRHLBRPZKSV-UHFFFAOYSA-N	287.793	2.952	50	40	CFGB	
Cc1ccc(NC(=O)CCl)cc1Br	2647837	QRGBHDFCJNDFIY-UHFFFAOYSA-N	262.534	2.935	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)c2cccn2C)cc1	4073091	YGQZZOBUUUXSTC-JLHYYAGUSA-N	266.300	2.824	50	40	CFGB	
CCc1ccc(CC(=O)N/N=C/c2cccc(O)c2)cc1	409365072	SMPQZMCYXGYXKD-LDADJPATSA-N	282.343	2.647	50	40	CFGB	
COc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccccc2)cc1	31776115	AXUOQWWTMQNQAX-FDIDITGRSA-N	298.342	2.613	50	40	CFGB	
C/C(C=O)=C\c1cc([N+](=O)[O-])cc(Br)c1O	40545445	BSNIOFHUCHDZTJ-QHHAFSJGSA-N	286.081	2.665	50	40	CFGB	
CSc1ccc2cc3cc(C(=O)NN)sc3nc2c1	223453588	JKMBBLOSAKWSJV-UHFFFAOYSA-N	289.385	2.775	50	40	CFGB	
CC/C(=N\NC(=O)c1ccc(N)cc1)c1ccc(O)cc1	12401998	QUJNKHYSWDAWPF-OBGWFSINSA-N	283.331	2.519	50	40	CFGB	
NC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	372038	ANUWWIQYOYPMTQ-VIZOYTHASA-N	263.684	2.602	50	40	CFGB	
CCOc1cc(C=C(C#N)C#N)cc(Br)c1O	1712449	VWSTUCYEBIXUHM-UHFFFAOYSA-N	293.120	2.984	50	40	CFGB	
COc1ccc(C(=O)O)cc1[C@@]1(O)CCCC[C@@H]1Cl	4974379	WSIZHAAZWUJWDU-JSGCOSHPSA-N	284.739	2.762	50	40	CFGB	
O=C1O[C@@H](CBr)CN1c1ccc(F)cc1	52508164	XJKABTHXZUEAHA-VIFPVBQESA-N	274.089	2.546	50	40	CFGB	
BrCC[C@@H](Br)CBr	100004033	UKFHIKGQGFCINK-SCSAIBSYSA-N	294.812	2.930	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2ccc(Cl)s2)cn1	2194019	XPMCZCVYTNULSU-CHHVJCJISA-N	279.752	2.869	50	40	CFGB	
C=CCOC(=O)/C(C#N)=C/c1cc(C)c(O)c(C)c1	5156123	BPTVXCIYBRHBDA-MDWZMJQESA-N	257.289	2.645	50	40	CFGB	
CC(C)CC(=O)N/N=C/c1ccc(Br)o1	408992724	BGOCROZQRCOICM-WUXMJOGZSA-N	273.130	2.538	50	40	CFGB	
Cc1cc(C(=O)NN)c(C)n1-c1ccccc1C(F)(F)F	223714268	CNPYTWWGJHURGO-UHFFFAOYSA-N	297.280	2.716	50	40	CFGB	
O=C(N/N=C/c1ccccn1)c1cc2ccccc2cc1O	5740168	AQNVXVGGOLZTJA-YBFXNURJSA-N	291.310	2.704	50	40	CFGB	
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)C(C)C	40549579	CTMYTVQZRFCMMD-SDQBBNPISA-N	289.331	2.844	50	40	CFGB	
O=C1C(CCl)(CCl)CC[C@@]12CN=C(Cl)C2	4642758	WJPJWBRNKFJBKO-SECBINFHSA-N	268.571	2.841	50	40	CFGB	
N=c1ccccn1C[C@H](Cl)COc1ccccc1	6581478	NSLYDLRSGHXYLZ-LBPRGKRZSA-N	262.740	2.654	50	40	CFGB	
O=C(C/C=N/NC(=O)c1ccccc1)c1ccccc1	105407284	RQOYRFHTYOTKBR-SFQUDFHCSA-N	266.300	2.675	50	40	CFGB	
O=S1(=O)C[C@@]23C=CC=C[C@]2(CCCC3)[C@H]1Cl	104136695	GPAIKHSCWSQBTK-SRVKXCTJSA-N	258.770	2.653	50	40	CFGB	
CCOc1ccc(NC(=O)CCl)cc1OCC	3374383	MRVUROCJAFSKEU-UHFFFAOYSA-N	257.717	2.661	50	40	CFGB	
Cc1ccccc1Nc1nc(N)nc([C@H](C)Cl)n1	9109198	NDWDMUOGXJNXAK-QMMMGPOBSA-N	263.732	2.806	50	40	CFGB	
O=C(N/N=C1/CCc2ccccc21)c1cccc([N+](=O)[O-])c1	4464800	ICNHTSZBHDOWAB-ICFOKQHNSA-N	295.298	2.675	50	40	CFGB	
CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)CCl	83264729	OLKZBAFBHRIJEV-VIFPVBQESA-N	261.749	2.584	50	40	CFGB	
CCOc1ccc([C@@H](C)NC(=O)CCl)cc1OC	62146596	MVDICWLBXBYBSQ-SECBINFHSA-N	271.744	2.510	50	40	CFGB	in-vitro
Cn1cc(C(=O)NN=C2CCSCC2)c2ccccc21	61101711	HLUSCZCBXHOZOE-UHFFFAOYSA-N	287.388	2.791	50	40	CFGB	
Cc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1[N+](=O)[O-]	208309772	ISHIUMAEJYZVFE-JYRVWZFOSA-N	299.330	2.869	50	40	CFGB	
Cc1ccc(NC(=O)NCCBr)cc1	1686125	IZTZRUQHAVMCQR-UHFFFAOYSA-N	257.131	2.511	50	40	CFGB	
I[C@H]1CCC[C@H]2CC[C@H]1O2	101043186	ZVJZYCQQROXHBI-BIIVOSGPSA-N	252.095	2.522	50	40	CFGB	
COc1cc(OC)c(OC)c(CBr)c1OC	38981642	OIHGNVPUXDUQKY-UHFFFAOYSA-N	291.141	2.616	50	40	CFGB	
O=C(N/N=C/c1ccoc1)c1ccc(N2CCCC2)cc1	408676332	HMZUSMWTSPPVNE-GZTJUZNOSA-N	283.331	2.644	50	40	CFGB	
C[C@H](C(=O)O)N1CC=C(CBr)c2ccccc21	504523240	LBNPYYCPTJULOX-SECBINFHSA-N	296.164	2.758	50	40	CFGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)N1CCCC1	3274643	ZPIHWBMFVOBODQ-FMIVXFBMSA-N	265.316	2.697	50	40	CFGB	
Cc1ccc2c(c1)[C@@H](N1CCC(C(=O)O)CC1)C(C#N)=CN2	1775968305	XYZMRFQFRLURJH-INIZCTEOSA-N	297.358	2.666	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12	559625	SLFROTBSWXZNON-FMIVXFBMSA-N	266.300	2.501	50	40	CFGB	
C[C@]12C[C@@H](Br)[C@@H](Br)C[C@@]1(C)O2	4973070	ZQEYVDVWGJJBOA-SOSBWXJGSA-N	283.991	2.855	50	40	CFGB	
CC[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	22415186	PCPPLYASGVKPAM-SNVBAGLBSA-N	294.420	2.824	50	40	CFGB	
Cc1ccccc1C(=O)NC(C#N)=C(Cl)Cl	72238735	BAWBICGLKUBVNP-UHFFFAOYSA-N	255.104	2.895	50	40	CFGB	
COc1ccccc1C1=NO[C@H](CBr)C1	217843253	UOSKIPXXOMDWST-QMMMGPOBSA-N	270.126	2.583	50	40	CFGB	
CCO[C@H](c1ccccc1)c1noc(CCl)n1	72417709	QLVSRJXSHGSVLX-LLVKDONJSA-N	252.701	2.934	50	40	CFGB	
C[C@H]1CC(C)(C)N([C@@H](C)C(=O)NN)c2cc(Cl)ccc21	223830608	WLTBIEFSLSHBTB-UWVGGRQHSA-N	295.814	2.811	50	40	CFGB	
CO[C@@]1(C)C[C@@H](NC(=O)/C(C#N)=C/c2ccco2)C1(C)C	96443866	SKWWHHNAFBBZPP-HDEOUBMNSA-N	288.347	2.506	50	40	CFGB	
O=C(OCCCCBr)[C@@H]1C[C@H]2C=C[C@@H]1C2	5377140	LTWJFZJDGXQDID-HBNTYKKESA-N	273.170	2.917	50	40	CFGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cccnc1	233601	CVNHDWXYSSWJCQ-OOIIIRTPSA-N	285.372	2.713	50	40	CFGB	
O=C(CCl)NN=C(c1ccccc1)c1ccccc1	3278109	FOGMNOHCZQDZGD-UHFFFAOYSA-N	272.735	2.794	50	40	CFGB	
CC(/C=C/c1ccco1)=N\NC(=O)c1ccccc1O	4702529	HFXVUWOEVYSKRQ-CEKJNPHKSA-N	270.288	2.804	50	40	CFGB	
CCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1	33361491	JDWIMRZGRFCVPR-ATVHPVEESA-N	268.316	2.849	50	40	CFGB	
COC1=C/C(=C(\C#N)c2ccccc2)C=C/C1=N/O	5734195	YBKTXKZDUUDTKN-SQCSQLHISA-N	252.273	2.894	50	40	CFGB	
CN(NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	40461070	VWDQVJLSCNKDAD-UHFFFAOYSA-N	286.291	2.768	50	40	CFGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2C)c1	6685722	DMKFAFFGHHULBY-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
O=C(N/N=C/c1ccncc1)c1ccc2ccccc2c1	54883519	ZPEZBSYNULRNAJ-XDHOZWIPSA-N	275.311	2.999	50	40	CFGB	
C=C(C)COc1cccc(NC(=O)CBr)c1	35605131	CKRLSWZRFQECQP-UHFFFAOYSA-N	284.153	2.975	50	40	CFGB	
CO[C@H](C(=O)N/N=C/c1ccccc1F)c1ccccc1	408719576	GNJRRKRKBBHHIN-LZNAANCOSA-N	286.306	2.664	50	40	CFGB	
CCc1ccc(/C(C)=N\NC(=O)c2ccco2)cc1	5477248	PGYURKSOGNNFAB-WJDWOHSUSA-N	256.305	2.996	50	40	CFGB	
COc1ccc(N(Cc2ccccn2)C(=O)CCl)cc1	199756576	LTQRBDVNBIMLCS-UHFFFAOYSA-N	290.750	2.862	50	40	CFGB	
COc1ccccc1C(=O)N/N=C1\C[C@H]2CC[C@@H]1C2	5527554	NXUNHWFVYPSFBF-SGVFRHMUSA-N	258.321	2.601	50	40	CFGB	
COC(=O)c1c(NC(C)=O)sc(/C(C)=C\C#N)c1C	5536511	ZUGXGUVZWKTUNP-ALCCZGGFSA-N	278.333	2.728	50	40	CFGB	
O=C(CCl)Nc1nnc(CCc2ccccc2)s1	6228320	JDVKJCVXKAOYHR-UHFFFAOYSA-N	281.768	2.501	50	40	CFGB	
O=C(N/N=C/C(F)(F)C(F)(F)F)c1ccccc1	3199431	QCYPPGMCVZDNHO-OMCISZLKSA-N	266.169	2.600	50	40	CFGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3ccccc32)cc1	7516606	HRVQDWSWMJOTOS-MRXNPFEDSA-N	278.311	2.913	50	40	CFGB	
CC(C)(C)c1ccc(C(=O)NC(=O)CCCl)cc1	12505863	HGRIDTIDXGKTTP-UHFFFAOYSA-N	267.756	2.869	50	40	CFGB	
Cc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)o1	33385584	NDKOBLYAPARBBS-PTNGSMBKSA-N	280.327	2.854	50	40	CFGB	
CCCn1c(CCCl)nc2cc(C(=O)O)ccc21	225297265	RCNQQZZXEUJOHL-UHFFFAOYSA-N	266.728	2.926	50	40	CFGB	
O=C(N/N=C1/C[C@@H]2CC[C@H]1C2)c1ccc(Cl)cc1O	17008030	MHJVLXOMOKAQLK-LKQAZDPZSA-N	278.739	2.951	50	40	CFGB	
COc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1	13736723	UMZVZGVSKURDIH-LCYFTJDESA-N	282.299	2.512	50	40	CFGB	
CC(C)(C)OC(=O)NNC(=O)c1cc(Cl)ccc1F	17398958	ZBFFLYPMQNCBLV-UHFFFAOYSA-N	288.706	2.649	50	40	CFGB	
CCSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1	409125952	KWJJPDOUNVSBMU-MRVPVSSYSA-N	264.375	2.840	50	40	CFGB	
CC(C)c1ccc(OCC(=O)N/N=C\c2ccncc2)cc1	32109223	CANPZJJCKWEAGA-ODLFYWEKSA-N	297.358	2.734	50	40	CFGB	
N#C/C(=C/c1ccc(O)cc1O)C(=O)Nc1ccccc1	33429255	CIQRIUTZIOTVOY-WQLSENKSSA-N	280.283	2.643	50	40	CFGB	
Cc1ccc(-c2ccc(/C=C/C(=O)NN)o2)cc1Cl	226256300	UNTZLEWJZJZUMZ-FNORWQNLSA-N	276.723	2.912	50	40	CFGB	
COc1ccc(C=NNC(=O)COc2ccccc2C)cc1	263622055	JPFOEFSVHGZUCD-UHFFFAOYSA-N	298.342	2.533	50	40	CFGB	
COc1ccc(C(=O)O)cc1N(CCCl)CCCl	1728621	PKFSXBZXFYABSS-UHFFFAOYSA-N	292.162	2.677	50	40	CFGB	
CCOC(=O)N/N=C/c1ccc2ccccc2c1O	6046895	ICZCQWPUMJYNQI-OQLLNIDSSA-N	258.277	2.625	50	40	CFGB	
CCCCC[C@H]1C(C#N)(C#N)C(C#N)=C(N)[C@@]1(C)C(C)=O	4730111	TYCWMFATFKKFOU-HIFRSBDPSA-N	284.363	2.562	50	40	CFGB	
N#Cc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1	357729	GYCUUSYJMGRUDD-GZTJUZNOSA-N	264.288	2.714	50	40	CFGB	
COc1ccc(/C=N/NC(C)=O)cc1OCc1ccccc1	6596002	BFOFHGGQPNTAJG-WOJGMQOQSA-N	298.342	2.744	50	40	CFGB	
CC(C)(C)c1n[nH]c2c1[C@@H](c1ccco1)C(C#N)=C(N)O2	4592531	IDGBGOXVJYZUAC-SNVBAGLBSA-N	284.319	2.518	50	40	CFGB	
O=C(CCl)N(Cc1ccncc1)c1cccc(O)c1	199755474	VHGXZIJRKQUPDF-UHFFFAOYSA-N	276.723	2.559	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2cccnc2)cc1Cl	780120	LBZFKHNVOVILEB-RQZCQDPDSA-N	273.723	2.807	50	40	CFGB	
NC(=O)N/N=C1/C[C@H]2CCCC[C@H]2c2ccccc21	104259161	JOBXDIOTFVACCN-IJWOGYJESA-N	257.337	2.737	50	40	CFGB	
O=C(CCl)NCCSc1ccc(Cl)cc1	4206498	DWJLPYPCRJRTDG-UHFFFAOYSA-N	264.177	2.787	50	40	CFGB	in-vitro
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1	14007280	UNFIZODTIUWKKQ-WQLSENKSSA-N	257.289	2.907	50	40	CFGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cccc(O)c1	408958235	XYMLZMBCGVLKAG-KBEVBYFBSA-N	272.348	2.669	50	40	CFGB	
CS(=O)(=O)c1cc(Cl)ccc1CCCCl	199561837	DHKBPPTWNOGZTK-UHFFFAOYSA-N	267.177	2.915	50	40	CFGB	
C[C@H]([C@@H](O)c1ccccc1)N(C)CCCN=C=S	5920605	NIIILSARNLPUMP-TZMCWYRMSA-N	264.394	2.533	50	40	CFGB	
O=C(CCl)Nc1cc(F)c(Br)cc1F	162810	LGPHIDXEBDSQNX-UHFFFAOYSA-N	284.487	2.905	50	40	CFGB	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1	13586188	FONUMHBHOAHTAW-QGZVFWFLSA-N	291.354	2.971	50	40	CFGB	
CCc1nc(NC(=O)[C@@H](C)Br)sc1C	4511910	QZUBVHBFBZKVBI-RXMQYKEDSA-N	277.187	2.736	50	40	CFGB	
N#CCC(=O)N/N=C/c1ccccc1OCc1ccccc1	5683314	JDPDJGQZVPUOFU-XDHOZWIPSA-N	293.326	2.629	50	40	CFGB	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)NCc1ccccc1	33471945	LRBOOYQHMQVLKT-YVLHZVERSA-N	287.322	2.782	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1OC	44027317	XFPGUISSLZHUBY-KPKJPENVSA-N	259.305	2.836	50	40	CFGB	
O=C(Cc1ccc(Br)cc1)NCCCCl	4698796	OKZVHTPQSWMXEQ-UHFFFAOYSA-N	290.588	2.737	50	40	CFGB	
CC(=O)Nc1ccc(NC(=O)CCl)c(C(F)(F)F)c1	37389639	HPHWDPIGOKSTAL-UHFFFAOYSA-N	294.660	2.841	50	40	CFGB	in-vitro
Cc1cc(C(=O)NNC(=O)c2cccc(C)c2C)c(C)o1	5823378	CPJGVVBCPDCWSL-UHFFFAOYSA-N	286.331	2.588	50	40	CFGB	
Cc1cccc(Cn2c(C)c(C(=O)NN)c3ccccc32)c1	216946733	GTIVDAUOSLJJRJ-UHFFFAOYSA-N	293.370	2.910	50	40	CFGB	
BrCC[C@H](Br)[C@H]1CCCO1	242750764	ZZSZZAOXIMKHDM-NKWVEPMBSA-N	271.980	2.714	50	40	CFGB	
CN/C(SC)=C(\C#N)c1nc(-c2ccccc2C)no1	104416854	DNRGXRFEZOPVIK-KAMYIIQDSA-N	286.360	2.820	50	40	CFGB	
C/C(=N/NC(=O)c1cccs1)c1ccc(O)cc1	232523	NKTJLKGKXLLMKG-ZROIWOOFSA-N	260.318	2.608	50	40	CFGB	
CCOP(=O)(OCC)/C(C#N)=C/c1cccn1N(C)C	1856533	VHILLNLPYVSLHJ-JLHYYAGUSA-N	297.295	2.816	50	40	CFGB	
O[C@@H](CCl)CNC(c1ccccc1)c1ccccc1	34437008	PHDKURQHOBPQTI-HNNXBMFYSA-N	275.779	2.965	50	40	CFGB	in-vitro
N#Cc1cccc(NNC(=O)Nc2ccc(F)cc2F)c1	14109243	DAISDVHHNWSTJO-UHFFFAOYSA-N	288.257	2.985	50	40	CFGB	
Cc1ccc(/C=C/C(=O)N/N=C/c2ccncc2)cc1	409074544	VGJMRWJRDMFQFO-NXHWHKFRSA-N	265.316	2.554	50	40	CFGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(N)=O	408865942	CRTRWWKSRAYEQY-UXBLZVDNSA-N	264.712	2.521	50	40	CFGB	
CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCl	79393706	BWPBXTZAGKAXLT-HNNXBMFYSA-N	294.826	2.596	50	40	CFGB	
CCOC(=O)c1c(C)csc1NC(=O)C(Cl)Cl	159905	JWXPKNCEIRZGRZ-UHFFFAOYSA-N	296.175	2.975	50	40	CFGB	
COc1ccc(OCC(=O)N/N=C/c2ccccc2C)cc1	3152785	IJLIBPCTZWXGFS-WOJGMQOQSA-N	298.342	2.533	50	40	CFGB	
CC/C(=N\NC(=O)c1ccc(C)cc1)c1cc(O)ccc1O	13321750	NWBMGTXBPIQRGW-OBGWFSINSA-N	298.342	2.950	50	40	CFGB	
CC(C)/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	5383987	CCEXUMSZYZHSII-CPNJWEJPSA-N	296.370	2.681	50	40	CFGB	
N#Cc1ccc(C(F)(F)F)nc1CBr	95098072	QMGOOHQKZRIBNI-UHFFFAOYSA-N	265.032	2.867	50	40	CFGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccccc1C(=O)O	105232	ZWWZZQVBWJPRHD-CSKARUKUSA-N	282.255	2.523	50	40	CFGB	
CCCCCC[C@H](CCl)OCCOCCOCCO	5418405	XUHURNCJFRVKAE-CQSZACIVSA-N	296.835	2.606	50	40	CFGB	
Cc1ccc(COc2ccc(/C=C/C(=O)NN)cc2)cc1	226332632	FJZGLWBGIAXLFD-DHZHZOJOSA-N	282.343	2.577	50	40	CFGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	2768783	FMZPYYXQFFJSDK-NTEUORMPSA-N	254.333	2.996	50	40	CFGB	
O=[P@@]1(N(CCCl)CCCl)OCCCN1Cl	1571980	OXWJXKSNQNYFAI-HNNXBMFYSA-N	295.534	2.750	50	40	CFGB	
Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc2c(c1)CCC2	7910482	PDHIIJQJISBTMW-VXLYETTFSA-N	296.374	2.585	50	40	CFGB	
Cc1ccoc1/C=C(\C#N)C(=O)NCCc1ccccc1	98056052	LEFAQNADEIKBJH-RVDMUPIBSA-N	280.327	2.854	50	40	CFGB	
O[C@@]1(c2ccccc2)[C@H](CCCl)SC2=NCCCN21	2168138	USVXQTPYCPCLDN-JSGCOSHPSA-N	296.823	2.638	50	40	CFGB	
CN(C)c1ccc(C(=O)N/N=C2\C[C@@H]3CC[C@H]2C3)cc1	5393692	WSPOVTPLKHUSIO-OIHRWXRTSA-N	271.364	2.658	50	40	CFGB	
COc1ccc(C(=O)N/N=C/c2ccc(C)s2)cc1	264936	MBDGAEJNGHXQOT-OQLLNIDSSA-N	274.345	2.829	50	40	CFGB	
CN(C)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	1707256	CBXQLZJPJUGTSC-UHFFFAOYSA-N	286.287	2.880	50	40	CFGB	
C#CCn1cc(/C=C(/C#N)C(=O)NC(C)C)c2ccccc21	4959363	XDBOFZPWAWHMOM-UVTDQMKNSA-N	291.354	2.706	50	40	CFGB	
CCN(CC)C(=O)/C(C#N)=C\c1ccc(N(CC)CC)o1	408831263	ZHSKRJAVBAHTFW-QBFSEMIESA-N	289.379	2.901	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1	409363978	MTAMFWBXRUGPCU-BOPFTXTBSA-N	297.314	2.596	50	40	CFGB	
C[C@@]12CC[C@@H](C[C@@H]1O)[C@]2(C)CI	135780706	MBRHUYLTVIYBIZ-QEYWKRMJSA-N	280.149	2.609	50	40	CFGB	
O=C(CCl)NCc1cccc(COCc2ccco2)c1	68583587	KBCKFDVLUJTTNU-UHFFFAOYSA-N	293.750	2.851	50	40	CFGB	in-vitro
N#C/C(=C/c1ccc(O)cc1)c1nc(=O)c2ccccc2[nH]1	5130869	YQZGGQPHQQCJCW-XFXZXTDPSA-N	289.294	2.693	50	40	CFGB	
COc1ccccc1C(=O)N/N=C(\C)c1ccccc1	5621203	CJIUDPONRBYWIZ-SFQUDFHCSA-N	268.316	2.849	50	40	CFGB	
CCC(CC)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	115439	HSCQKUGRELFSON-ZDUSSCGKSA-N	260.337	2.770	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/c2ccc(C)s2)cc1	368614	NNMCBCCCAYNLHS-MHWRWJLKSA-N	288.372	2.758	50	40	CFGB	
CC[C@@H](Br)C(=O)Nc1ccccc1O	61997512	UMQASQIFPAPCGN-SSDOTTSWSA-N	258.115	2.504	50	40	CFGB	
C[C@@H](Br)[C@@H](Br)CBr	100190652	HKTNRDJXZCCMGH-DMTCNVIQSA-N	294.812	2.928	50	40	CFGB	
Cc1cc(I)cc(/C=C/C=O)c1O	216763935	CPBABVYFFQCHCO-NSCUHMNNSA-N	288.084	2.517	50	40	CFGB	
O=C(c1ccc(F)cc1)N(CCCl)CCCl	1847091	QFDYYVBJXLFPNP-UHFFFAOYSA-N	264.127	2.746	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2)c1ccccc1F	6222301	GTHHRFQFFPRILT-MESZPNHGSA-N	258.296	2.754	50	40	CFGB	
N#CS[C@@H](Cc1ccccc1)C(=O)OCCCl	2973774	NLZISJLALPMLDA-NSHDSACASA-N	269.753	2.594	50	40	CFGB	
CCOC(=O)[C@@H](/C(C)=N/NC(=O)c1cccs1)C(C)C	101431361	GQHCFUSMZASPQE-JXCQQFQQSA-N	296.392	2.689	50	40	CFGB	
CCN(CC)c1ccc(/C=C(/C#N)C(N)=C(C#N)C#N)cc1	100988437	URHOOZIUBBUGPX-ZROIWOOFSA-N	291.358	2.700	50	40	CFGB	
CCCc1n[nH]c2c1[C@H](Cc1ccccc1)C(C#N)=C(N)O2	4452967	DADOBSYRAHZLLW-GFCCVEGCSA-N	294.358	2.775	50	40	CFGB	
O=c1cc(CCl)nc2c3c(Cl)cccc3[nH]n12	72233546	YTENGZUQTGTGOV-UHFFFAOYSA-N	268.103	2.568	50	40	CFGB	
Cc1ccccc1NC(=O)N/N=C1/CCn2cccc21	72235989	QMAYTXOLIKLYPB-LGMDPLHJSA-N	268.320	2.726	50	40	CFGB	
CCOC(=O)[C@H](Br)c1ccc([N+](=O)[O-])cc1	38817084	XQFNCKXRAPCJOW-SECBINFHSA-N	288.097	2.594	50	40	CFGB	
CCCCOc1ccccc1/C=N/NC(=O)OCC	3157843	KICNFXNGZWEWHF-RVDMUPIBSA-N	264.325	2.946	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1	498313	WZPVAIVWJBNNDU-GZTJUZNOSA-N	268.316	2.768	50	40	CFGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc[nH]2)cc1	2754676	OXMRODJNJXHXJL-GZTJUZNOSA-N	271.320	2.567	50	40	CFGB	
O=S1(=O)C[C@@]23CC=CC[C@]2(CCCC3)[C@H]1Cl	104277887	UYOHILFSRPWGMM-SRVKXCTJSA-N	260.786	2.877	50	40	CFGB	
N#C/C(=C\c1ccccc1)C(=O)NCc1ccco1	1446786	DYKSJBHBWDPHOG-UKTHLTGXSA-N	252.273	2.503	50	40	CFGB	
CC(C)[C@@H](NC(=O)CCl)c1ccc2c(c1)OCCCO2	4207305	XMUMZMQOEWGUCN-OAHLLOKOSA-N	297.782	2.900	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(C)s2)cc1	4739479	WWIJGFFPVGXVEC-RQZCQDPDSA-N	287.388	2.927	50	40	CFGB	
CCc1ccc(/C(C)=N/NC(=O)c2cccnc2)cc1	5247974	RPLLKDWYDCZORJ-LDADJPATSA-N	267.332	2.798	50	40	CFGB	
O=C(N/N=C/C=C\c1ccccc1[N+](=O)[O-])c1ccco1	13382278	WAFSNRUAUKQONC-KYEGVASXSA-N	285.259	2.617	50	40	CFGB	
Cc1cc2c(cc1/C=N/NC(N)=O)[C@@H](C)CC(C)(C)N2C	208209539	HBDQKEYXFVPOLG-KECVIQKOSA-N	288.395	2.719	50	40	CFGB	
Cc1ccc(N/C=C(/C#N)C(=O)NCc2ccco2)cc1	5895992	FKANETXAPLJZFI-RAXLEYEMSA-N	281.315	2.724	50	40	CFGB	
N#C/C(C(=O)CCl)=C1\NC(c2ccccc2)=CS1	15905852	IOKDQIUEOSYEPB-RAXLEYEMSA-N	276.748	2.864	50	40	CFGB	
O=C(NNC(=O)c1cc(Cl)ccc1Cl)c1ccoc1	18098220	RJWYFXLJMHVYLN-UHFFFAOYSA-N	299.113	2.661	50	40	CFGB	
CC[C@H](Cl)C(=O)c1ccc(C(=O)OC)cc1C	575362251	BPYICRDVOQIUEN-NSHDSACASA-N	254.713	2.982	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(O)c2)c(C)c1	3151335	RUCKQXIHTIJINJ-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
O=C(NCc1nc(CCl)cs1)c1ccccc1	8981584	JCHXRUVPRYSTPU-UHFFFAOYSA-N	266.753	2.812	50	40	CFGB	in-vitro
CC[C@H](Cl)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12	4027581	RMBGDEJIZNNLOF-RWMBFGLXSA-N	273.804	2.812	50	40	CFGB	biogenic
C/C(=N\NC(=O)c1cccc(C)c1)c1ccccn1	5418285	NMHZPCFOHSGBGK-SFQUDFHCSA-N	253.305	2.544	50	40	CFGB	
Cc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1	409139900	CAUZUERAMFIHEW-MRXNPFEDSA-N	293.370	2.725	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)s1	408965836	IYEOKKNZTHCFRA-CAOOACKPSA-N	287.319	2.831	50	40	CFGB	
O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccc(O)cc1	35330025	KEDXKKXQARPAEP-WQRHYEAKSA-N	280.327	2.645	50	40	CFGB	
O=S(=O)(c1ccccc1)[C@H]1C=CC=C[C@H](Cl)C1	339743	YZNVVEYZHQOPGD-AAEUAGOBSA-N	268.765	2.952	50	40	CFGB	
COCCNC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	6579886	GUYAMUAWCYINBK-JXMROGBWSA-N	299.157	2.663	50	40	CFGB	
O=C(Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	8702119	KWVKUEPRWKXCNH-UHFFFAOYSA-N	268.700	2.964	50	40	CFGB	
COC(=O)/C(=C/c1ccccc1)CBr	1756961	GIVCLXFKVGOEAT-JXMROGBWSA-N	255.111	2.638	50	40	CFGB	
O=C(CCl)Nc1cccc2cccc(C(=O)O)c12	3319673	YUSWJMLRFSFGSL-UHFFFAOYSA-N	263.680	2.715	50	40	CFGB	
COc1cccc(C(=O)N/N=C2/C[C@@H]3CC[C@H]2C3)c1	4646705	DDFXZNFQISCFDQ-RMTVOJOISA-N	258.321	2.601	50	40	CFGB	
C/C(=N\NC(=O)C1CC1)c1ccc(OC(C)C)cc1	8104363	GSTLNWSUHFRBTK-LFIBNONCSA-N	260.337	2.724	50	40	CFGB	
CCn1c(C)cc(/C=N/NC(=O)c2ccc(OC)cc2)c1C	409065981	ABIBVMSEOTZJIR-WOJGMQOQSA-N	299.374	2.897	50	40	CFGB	
COc1cc(N2CCCC2)c([N+](=O)[O-])cc1C(=O)Cl	45957602	DFMFDULZZIQJDR-UHFFFAOYSA-N	284.699	2.583	50	40	CFGB	
COc1cc(=O)oc2ccc(CBr)cc12	85390209	WPNPTVWNWQNOPU-UHFFFAOYSA-N	269.094	2.697	50	40	CFGB	
O=C(O)CCc1ccccc1N(CCCl)CCCl	1676165	QZWYHVUWXMIJMD-UHFFFAOYSA-N	290.190	2.988	50	40	CFGB	
CC(C)C(=O)NNC(=O)Nc1cccc2ccccc12	11007204	APCIWVJPCYFTDT-UHFFFAOYSA-N	271.320	2.649	50	40	CFGB	
COc1cc(Cl)c(C(=O)CBr)cc1OC	36924209	VFEAXQQGIBFGRX-UHFFFAOYSA-N	293.544	2.935	50	40	CFGB	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1	4923497	BBVJTIPZFXLIEB-UHFFFAOYSA-N	290.254	2.883	50	40	CFGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(C#N)cc2)c1	409365922	SJPIMWNNUAGKCN-NDENLUEZSA-N	291.354	2.868	50	40	CFGB	
COc1cccc(CC(=O)N/N=C\c2sccc2C)c1	408993807	GAVFDAIGAYAVTQ-YBEGLDIGSA-N	288.372	2.758	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2c(C)cccc2[C@@H](C)CC1(C)C	223202900	LMKUYJWBCIBBCH-GXTWGEPZSA-N	289.423	2.856	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(O)cc2)c1	175060	JGVYISFTGUVMOM-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1cccnc1	501498	GZAMTEIWYUEAFI-MKFNJMOCSA-N	293.326	2.662	50	40	CFGB	
COc1cc(Br)c(OC)c(C(=O)Cl)c1	57340001	NILOSSPJTIWXRZ-UHFFFAOYSA-N	279.517	2.845	50	40	CFGB	
CC/C(C)=N\NC(=O)CNc1cccc(Br)c1	5231273	NXBIHJUBWGEWOL-DHDCSXOGSA-N	298.184	2.763	50	40	CFGB	
CC[C@@H](C)c1ccc(NC(=S)NNC(C)=O)cc1	6394107	XZWPGNCZBVRXOU-SECBINFHSA-N	265.382	2.538	50	40	CFGB	
O=C(CNc1nc2ccccc2s1)NN=C1CCCC1	7907143	YVGIAMRXKJKDEM-UHFFFAOYSA-N	288.376	2.754	50	40	CFGB	
CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(N)=O	408872983	QFXLJWRBIDCZSI-BJMVGYQFSA-N	264.712	2.519	50	40	CFGB	
Cc1cccc(CSCCNC(=O)CCl)c1	408923623	YQXFZSSFHIRTOY-UHFFFAOYSA-N	257.786	2.583	50	40	CFGB	
O=C(CCl)Nc1ccccc1NC(=O)c1ccncc1	44831496	XJPPXJZIWRAHLB-UHFFFAOYSA-N	289.722	2.511	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)cc1C	4502013	JJJYINBEUNYGDE-GXDHUFHOSA-N	284.359	2.969	50	40	CFGB	
COc1cccc(/C=N/NC(=O)CNc2ccc(C)cc2)c1	58831	UOTITNMIFVPRTC-YBFXNURJSA-N	297.358	2.566	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(F)cc1	337034	OZCVCHHUOIYKFN-MDWZMJQESA-N	283.306	2.626	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1[N+](=O)[O-]	102180172	PBTGERFGSPGQIL-ZFAGHGMXSA-N	285.303	2.523	50	40	CFGB	
CC(C)C(=O)Nc1ccc(NC(=O)CBr)cc1	35605216	GCVUYZSTGQQEHZ-UHFFFAOYSA-N	299.168	2.615	50	40	CFGB	
C[C@@]12C(=O)OC(=O)[C@@H]1C1c3ccccc3C2c2ccccc21	103570729	YFHAQHCIPCPOBW-GETDIDHLSA-N	290.318	2.983	50	40	CFGB	
CCCCOc1ccc(N2C(=O)C[C@@H](Cl)C2=O)cc1	2503648	QVBBOJSXNIAAIY-GFCCVEGCSA-N	281.739	2.736	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)c2ccccc2)cc1[N+](=O)[O-]	38372845	LPZCNDVKIPABRN-YBEGLDIGSA-N	283.287	2.667	50	40	CFGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc[nH]2)cc1	32578370	SFMOZMPLZGTHLB-FMIVXFBMSA-N	251.289	2.869	50	40	CFGB	
Cc1ccccc1OCC(=O)NN=Cc1ccccc1F	254854817	SDXFAEHJAIXZEL-UHFFFAOYSA-N	286.306	2.663	50	40	CFGB	
O=C(N/N=C/c1ccc[nH]1)c1ccccc1Br	34034	KFOQYLRRKVMTDL-OVCLIPMQSA-N	292.136	2.541	50	40	CFGB	
O=NN(CCCl)C(=O)Nc1c[nH]c2ccccc12	5004860	ROPQZKHDEGFQIQ-UHFFFAOYSA-N	266.688	2.922	50	40	CFGB	
CC(C)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1	5962714	MYYSQPJUNJKYKO-YBFXNURJSA-N	297.358	2.880	50	40	CFGB	
COc1ccccc1/C=N\NC(=O)c1cc(C)oc1C	19799989	XMCNOHGBPAGSTR-SXGWCWSVSA-N	272.304	2.669	50	40	CFGB	
C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(C)s1	370052	NEMISYKSYVIULI-LUYJPIOASA-N	288.372	2.630	50	40	CFGB	
CCN(NC(=O)c1csc(C)n1)c1ccc(C)cc1	49341026	IGKMAMOSUCZQAU-UHFFFAOYSA-N	275.377	2.931	50	40	CFGB	
CCc1ccc(/C(C)=N/NC(=O)c2cccnc2)s1	6124940	NTKIFELVTHKBQA-MHWRWJLKSA-N	273.361	2.860	50	40	CFGB	
Cc1ccc2c(c1)N1CCCCCC1=C(C#N)S2(=O)=O	67172871	VQRMQZLTSLBGIG-UHFFFAOYSA-N	288.372	2.898	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12	408809289	NSCQHQJABPSFTB-OYGDSYQHSA-N	267.332	2.990	50	40	CFGB	
COc1ccc(/C=C/C(=O)N/N=C/c2ccccc2)cc1	409074700	WXKGUNMASKVVNM-HEMGCLFMSA-N	280.327	2.859	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C2\C[C@H]3C=CC[C@@H]23)c1	8182635	QYTSNTXESMKIDG-FTKQKGMFSA-N	284.359	2.750	50	40	CFGB	
COC(=O)c1ccc(NC(=O)OCCCCl)cc1	33414774	XHABXBRSHRJTBJ-UHFFFAOYSA-N	271.700	2.651	50	40	CFGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1nccs1	6828948	ZJRIEAXZTIYWDQ-JXMROGBWSA-N	273.292	2.828	50	40	CFGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)n1	408977713	JQDNIOGJZAVGKZ-XNTDXEJSSA-N	294.358	2.813	50	40	CFGB	
CC(=O)N1CCc2cc(CCBr)ccc21	36220400	DCILKNMJWIZXSC-UHFFFAOYSA-N	268.154	2.533	50	40	CFGB	
CCS(=O)(=O)c1cc(CBr)ccc1C	218310084	NOQFQJVYZYUSLQ-UHFFFAOYSA-N	277.183	2.684	50	40	CFGB	
NNC(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2)o1	40175891	LLLRLPYECQKVBE-UHFFFAOYSA-N	299.252	2.514	50	40	CFGB	
COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2)cc1	93810	AXUOQWWTMQNQAX-HTMJNSLASA-N	298.342	2.613	50	40	CFGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccs3)n2c1	113115	MLCHAFRYTATFCN-LZYBPNLTSA-N	298.371	2.777	50	40	CFGB	
C/C(=N\NC(=O)CCc1ccccc1)c1ccc(O)cc1O	12403729	ONWMRLLBRCOTOY-LDADJPATSA-N	298.342	2.571	50	40	CFGB	
CN(C)CCCNC(=O)CCCC[C@H]1CCSS1	123072356	WYBNMZHYWGSLQG-LBPRGKRZSA-N	290.498	2.768	50	40	CFGB	biogenic
N=c1ccccn1C[C@@H](Cl)COc1ccccc1	1699150	NSLYDLRSGHXYLZ-GFCCVEGCSA-N	262.740	2.654	50	40	CFGB	
C[C@]1(C(=O)NNc2ccccc2)CC1(Cl)Cl	3671034	VUPYJFJWGJWGGE-SNVBAGLBSA-N	259.136	2.714	50	40	CFGB	
COc1ccc(OC)c2c1C[C@@H](CCl)CC2=O	4553485	AKFUKQXEBKUPQG-MRVPVSSYSA-N	254.713	2.688	50	40	CFGB	
N#CC(C(=O)COc1ccccc1)=C1Nc2ccccc2N1	5626392	NGXAEFQFFAQLLZ-UHFFFAOYSA-N	291.310	2.907	50	40	CFGB	
NNC(=O)c1cn(Cc2cccc(Cl)c2)c2ccccc12	216946857	XMURXBKHXXDBKP-UHFFFAOYSA-N	299.761	2.947	50	40	CFGB	
FC(F)(F)[C@@H](Br)COCCCl	1083807981	NKTLDNHOIRMUFH-BYPYZUCNSA-N	255.461	2.568	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1	5795554	WDXVZXPFBDLRJK-XNTDXEJSSA-N	287.275	2.650	50	40	CFGB	
C[C@H](Br)C(=O)N[C@H](C)c1ccccc1	3165502	QYAAFAXOBIYBIR-DTWKUNHWSA-N	256.143	2.647	50	40	CFGB	
CCOc1ccc([C@@H]2CCCN2C(=O)CCl)cc1	58033192	IEFRTCQZSNVJEV-ZDUSSCGKSA-N	267.756	2.988	50	40	CFGB	
CCCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1	5857911	FBRCHYAYLWSBGX-UHFFFAOYSA-N	282.343	2.915	50	40	CFGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1O	408781255	BSAGDNFINROIMH-ZROIWOOFSA-N	270.332	2.552	50	40	CFGB	
CC(C)C(=O)Nc1cccc(NC(=O)CBr)c1	35605224	SXJCCQQXJXWMFY-UHFFFAOYSA-N	299.168	2.615	50	40	CFGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1Cl	260610	BAZVVIHGUVEXNV-VGOFMYFVSA-N	293.666	2.605	50	40	CFGB	
O=C(O)[C@@H](Br)Cc1ccccc1Cl	3040533	BZALCDYHCUTVEO-ZETCQYMHSA-N	263.518	2.731	50	40	CFGB	
COC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1	6452918	GVCBJDJYHGLCKI-UHFFFAOYSA-N	294.163	2.551	50	40	CFGB	
COc1ccc2c3c(ccc2c1)[C@@H]1C(=O)OC(=O)[C@H]1CC3	104253677	RAPPFGSGWRDTDR-GJZGRUSLSA-N	282.295	2.578	50	40	CFGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1	4031690	GMRKBTOYTFNOLW-UHFFFAOYSA-N	298.386	2.664	50	40	CFGB	
CC(C)c1ccc(/C=N/NC(=O)CN2CCCCC2)cc1	20248416	GKQJKFLGAOCEKF-LDADJPATSA-N	287.407	2.746	50	40	CFGB	
CCc1cc(N2CC=C(C#N)CC2)nc(-c2ccncc2)n1	95452432	WFHUSQRRTIIRQJ-UHFFFAOYSA-N	291.358	2.761	50	40	CFGB	
Cc1nn(-c2ccc(Cl)cc2)nc1C(=O)Cl	45920324	ZNWSWEUIYHZWKO-UHFFFAOYSA-N	256.092	2.608	50	40	CFGB	
O=C(NN=Cc1ccc([N+](=O)[O-])s1)c1cccc(F)c1	254877294	QDYQZMWFIYLMNX-UHFFFAOYSA-N	293.279	2.559	50	40	CFGB	
OCc1ccccc1P(c1ccccc1)c1ccccc1	100012682	OYLPGPHZZJCYLP-UHFFFAOYSA-N	292.318	2.937	50	40	CFGB	
CCOC(=O)/C(C#N)=C\Nc1ccc(OC(F)F)cc1	100205513	LMOXYQZLDSIJAC-HJWRWDBZSA-N	282.246	2.670	50	40	CFGB	in-vitro
Cc1cccc(N(C)NC(=O)Cc2ccccc2)c1	42804	LNDPRMJIVLEEKX-UHFFFAOYSA-N	254.333	2.705	50	40	CFGB	
CC(C)(C)OC(=O)N1CCC(C#N)(CCl)CC1	34247260	ZWSWUDWUDLAILP-UHFFFAOYSA-N	258.749	2.766	50	40	CFGB	
COC(OC)([C@H](Cl)C(F)(F)F)C(F)(F)F	91251947	LZTPVASNAAINBI-VKHMYHEASA-N	260.561	2.708	50	40	CFGB	
O=C(NNC(=O)c1c(F)cccc1Cl)c1ccccc1	12926509	PYBMLIBMLGKTIO-UHFFFAOYSA-N	292.697	2.554	50	40	CFGB	
O=[P@@]1(N(CCCl)CCCl)OC[C@H](CCl)O1	1562533	FBPDFKRQUQFZPE-ZIDLFYJRSA-N	296.518	2.528	50	40	CFGB	
O=CN/N=C/c1cn(-c2cccs2)nc1-c1ccccc1	3236941	MPEHGGSASOKUJK-CXUHLZMHSA-N	296.355	2.681	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccnc2)cc1	1803221	VWWQJKTYLRLOFB-UKTHLTGXSA-N	279.299	2.636	50	40	CFGB	
C/C(CCC(C)C)=N\NC(=O)[C@H]1COc2ccccc2O1	5164184	OXRHTGZAYCJKRB-YHZJOHHESA-N	290.363	2.755	50	40	CFGB	
CC(/C=C/c1ccccc1)=N\NC(=O)c1cc(C)n[nH]1	18240553	ICQLTVIVNNNHDN-CEKJNPHKSA-N	268.320	2.537	50	40	CFGB	
NNC(=O)c1cc(Cl)ccc1OCc1ccccc1F	226319351	GXUGPAVIGPEWES-UHFFFAOYSA-N	294.713	2.662	50	40	CFGB	
C/C(=N/NC(=O)c1cc(C)oc1C)c1ccccc1O	95346066	YPUPSMOGONWLEI-YBEGLDIGSA-N	272.304	2.756	50	40	CFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1c[nH]c2ccccc12	4646957	JALLLIKXFDZDCP-VHTNCOBCSA-N	265.316	2.850	50	40	CFGB	
Cc1c(/C=N\NC(=O)c2ccccn2)c2ccccc2n1C	408856274	PZQCCFBNZNAUJN-ODLFYWEKSA-N	292.342	2.646	50	40	CFGB	
FC(F)(Br)[C@H](Cl)Br	95707880	QGCCTZALDPXCGS-SFOWXEAESA-N	258.287	2.934	50	40	CFGB	in-vitro
CCCC(=O)N/N=C/c1ccc(Br)cc1	5501708	ISVBZEXQPFTCJI-MDWZMJQESA-N	269.142	2.699	50	40	CFGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2C)c1	5549035	SNMHANGJKGYAQF-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
CCCOC(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1	20203506	NLPVBFIARFWQFO-SECBINFHSA-N	269.728	2.819	50	40	CFGB	
CN1/C(=C(\C#N)C(=O)CCl)Sc2ccccc21	2647764	VERRKXDKAXNOQK-WQLSENKSSA-N	264.737	2.772	50	40	CFGB	
CCc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	3471657	GGEYLZSJQNEPFZ-GZTJUZNOSA-N	268.316	2.719	50	40	CFGB	
C/C(=N\NC(=O)C1CC1)c1ccccc1Br	5018792	DUYQPNSZEFFHKE-RIYZIHGNSA-N	281.153	2.699	50	40	CFGB	
N#C/C(=C/c1cccs1)C(=O)NCc1ccccc1	4723680	UHCRPGWVHXKQNI-LCYFTJDESA-N	268.341	2.971	50	40	CFGB	
CC/C(=N\NC(=O)c1ccc(O)cc1)c1ccccc1	12550680	CSMFJBFNLSUVGG-BMRADRMJSA-N	268.316	2.936	50	40	CFGB	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCl	3336028	NZZOTUMBWBHBJT-UHFFFAOYSA-N	263.728	2.666	50	40	CFGB	
COc1ccc(CCC(=O)NNc2ccccc2)cc1	8039212	XZYTWAXKAZKTRH-UHFFFAOYSA-N	270.332	2.771	50	40	CFGB	
N#C/C(=C/c1ccsc1)C(=O)Nc1cccc(C(=O)O)c1	408543969	RDZBFYWSLFEPQR-SDQBBNPISA-N	298.323	2.992	50	40	CFGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2)n1	408975642	BSCXYZRFHVMWSL-NTEUORMPSA-N	251.289	2.747	50	40	CFGB	
O=C(Cc1ccc(F)cc1)N/N=C\C=C\c1ccco1	409232405	OTVVCZJSDKGHPB-IZUKZVJKSA-N	272.279	2.777	50	40	CFGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1	30802912	FKKBHRUCIZCXBO-ZDLGFXPLSA-N	283.331	2.553	50	40	CFGB	
O=C(NN=C1CCCCCC1)c1ccc2c(c1)OCO2	371561	FUYARDXWTWAAIX-UHFFFAOYSA-N	274.320	2.855	50	40	CFGB	
Cc1ccc(-c2nc(NC(=O)CCl)ns2)cc1	44831208	QWCQMAGHDQNLAV-UHFFFAOYSA-N	267.741	2.691	50	40	CFGB	
Cc1cc(O)nc(Sc2ccc(C=C(C#N)C#N)o2)n1	409103166	XCJRYHYUVPGRHH-UHFFFAOYSA-N	284.300	2.665	50	40	CFGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)CC#N)cc1Cl	409012876	LHAIOWMRVJLGML-VJCPFXPRSA-N	293.754	2.881	50	40	CFGB	
O=C1Nc2ccccc2S[C@H]1CCBr	34154646	WRCXYTDZMOOWSK-VIFPVBQESA-N	272.167	2.884	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1cc2ccc(C)c(C)c2[nH]c1=O	421532	QGMXPDVDEZCZMH-RIYZIHGNSA-N	296.326	2.615	50	40	CFGB	
N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccccc1	20787063	BHBUSJXCZBROCM-UKTHLTGXSA-N	264.284	2.938	50	40	CFGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccccc2)c1	580254	GIBDEJBFFXISEN-WOJGMQOQSA-N	282.343	2.833	50	40	CFGB	
NNC(=O)c1cccc(COc2ccccc2Cl)c1	520166	RHTDZBVFCSLGIH-UHFFFAOYSA-N	276.723	2.523	50	40	CFGB	
CN(C)c1ccc(C(=O)N/N=C2\C[C@H]3CC[C@H]2C3)cc1	103917213	WSPOVTPLKHUSIO-PQONFGHASA-N	271.364	2.658	50	40	CFGB	
COc1ccc([C@H]2CCCN2C(=O)CCl)cc1	37654080	SQPAYSUNQXZZOE-GFCCVEGCSA-N	253.729	2.598	50	40	CFGB	
CC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccs1	5465466	WZAJBXIFHNZNGG-LBPRGKRZSA-N	276.386	2.963	50	40	CFGB	
O=C(CBr)c1cccc(C(F)(F)F)n1	199751924	DQZXNWLSEYAXOQ-UHFFFAOYSA-N	268.032	2.678	50	40	CFGB	
Cn1/c(=N\NC(=O)C2CCCCC2)sc2ccccc21	4058961	RAAAIHSZJVFTCV-BMRADRMJSA-N	289.404	2.752	50	40	CFGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccncc1	342418	NLYFHHWXTXZGLT-UHFFFAOYSA-N	269.348	2.624	50	40	CFGB	
CCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccc(F)cc1	495072	HIQPHLODNUBOLI-CQSZACIVSA-N	298.321	2.569	50	40	CFGB	
O=C(c1ccc(F)cc1)N1CCCC[C@H](Cl)C1=O	1465942	ZDZPKOJQLFUYSO-NSHDSACASA-N	269.703	2.586	50	40	CFGB	
O=C(CBr)c1cc(OC(F)(F)F)ccc1O	16125514	NJRGGOMOECRQTJ-UHFFFAOYSA-N	299.042	2.868	50	40	CFGB	
COc1cccc(N(Cc2cccnc2)C(=O)CCl)c1	199755849	IPGXZZJHJMEYNA-UHFFFAOYSA-N	290.750	2.862	50	40	CFGB	
CC(C)(C)c1ccc(CCNC(=O)CCl)cc1	57214371	GDVUMILOVCFPMX-UHFFFAOYSA-N	253.773	2.882	50	40	CFGB	in-vitro
COc1cccc(C(=O)N/N=C/c2ccc(C)cc2)c1	5096090	UXEWETQFHYYMKR-GZTJUZNOSA-N	268.316	2.768	50	40	CFGB	
COC(=O)c1ccc2nc(NC(=O)[C@H](C)Cl)sc2c1	20132097	PGQQJEPCRZMCCY-LURJTMIESA-N	298.751	2.649	50	40	CFGB	
C/C(=N/NC(=O)c1ccc2[nH]cnc2c1)c1cccs1	548590	SPLVKFWDZYZSKR-MFOYZWKCSA-N	284.344	2.778	50	40	CFGB	
COc1cc(Br)c(OC)c(C=C(C#N)C#N)c1	243446	XODQUHJUQRBTBR-UHFFFAOYSA-N	293.120	2.897	50	40	CFGB	
CC[C@H](Br)C(=O)Nc1ccccc1O	61997511	UMQASQIFPAPCGN-ZETCQYMHSA-N	258.115	2.504	50	40	CFGB	
CCOc1ccccc1/C=C(\C#N)C(=O)NC(C)C	3616624	ANIANMJQHUHUDF-UKTHLTGXSA-N	258.321	2.517	50	40	CFGB	
CCc1cccc2c(/C=N/NC(=O)c3ccncc3)c[nH]c12	6225792	FVZPZFVGSIVMNH-RGVLZGJSSA-N	292.342	2.889	50	40	CFGB	
C/C(=N\NC(=O)c1cccc(C)c1)c1ccc(O)cc1O	16349103	FDHLMTGMLRMGJF-GZTJUZNOSA-N	284.315	2.560	50	40	CFGB	
Cc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1	409139897	CAUZUERAMFIHEW-INIZCTEOSA-N	293.370	2.725	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2c(C)cccc2[C@@H](C)CC1(C)C	223202843	LMKUYJWBCIBBCH-JSGCOSHPSA-N	289.423	2.856	50	40	CFGB	
BrCc1ccncc1Br	139783371	QGZWAAKESNWKJW-UHFFFAOYSA-N	250.921	2.739	50	40	CFGB	
N#C/C(=C\c1cccs1)C(=O)NCc1ccco1	227327	KIHCJUMGRQAAHK-JXMROGBWSA-N	258.302	2.564	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1	54869502	BEFCUBGJDCBUNO-WOJGMQOQSA-N	296.326	2.530	50	40	CFGB	
O=C(CBr)Nc1ccccc1Br	35604956	JPEAJCARLBYXND-UHFFFAOYSA-N	292.958	2.783	50	40	CFGB	
C[C@@]1(C(=O)NNc2ccccc2)CC1(Cl)Cl	3671033	VUPYJFJWGJWGGE-JTQLQIEISA-N	259.136	2.714	50	40	CFGB	
Cc1ccc(C[C@H](Br)C(=O)O)cc1C	76306432	RGGPNDOCWSEZOD-JTQLQIEISA-N	257.127	2.694	50	40	CFGB	
COC(=O)CC[C@H](Br)C(=O)c1cccs1	36108770	BMKPFCSJUDCDRY-ZETCQYMHSA-N	291.166	2.648	50	40	CFGB	
CCOP(=O)(OCC)/C(C#N)=C/c1ccc(CO)o1	1634980	JTXMFASRMPVDMH-KPKJPENVSA-N	285.236	2.902	50	40	CFGB	
CCOC(=O)NN(C(=O)OCC)c1c(C)cccc1C	1675781	BJJFTIDJZFDZLV-UHFFFAOYSA-N	280.324	2.927	50	40	CFGB	
Cc1cc(C)[n+]2c(c1C#N)SC[C@@H]2CBr	3176669	WDAGFNBHLKUOFC-VIFPVBQESA-N	284.202	2.504	50	40	CFGB	
O=C(NNc1nncc2ccccc12)Nc1ccccc1F	6942897	ZJEYYZPPFQXUBT-UHFFFAOYSA-N	297.293	2.918	50	40	CFGB	
CCCCC[C@H](C)NC(=O)NNC(=O)c1cc(C)oc1C	22880325	HXXHCARSSREZIS-JTQLQIEISA-N	295.383	2.809	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@]21C	408880455	JEMIEYGGTFJILT-LZWCZHDBSA-N	286.375	2.972	50	40	CFGB	
O=C(CCl)Nc1ccc(CN2CCCCC2)cc1	4559446	KVBZLMNYJPVWNM-UHFFFAOYSA-N	266.772	2.850	50	40	CFGB	
CCCOc1cccc(C(=O)N/N=C/c2ccoc2)c1	15933926	WFIQIKYVCJEIOY-MHWRWJLKSA-N	272.304	2.832	50	40	CFGB	
N#CC1=C[C@@H](c2ccccc2)C[C@@H](N2CCCC2=O)O1	4267410	HRZGCSGSLSOLQZ-CJNGLKHVSA-N	268.316	2.546	50	40	CFGB	biogenic
O=[S@@](Sc1ccc(O)cc1)c1ccc(O)cc1	1857775579	MPPFLJFCMKWNLU-KRWDZBQOSA-N	266.343	2.913	50	40	CFGB	
O=S(=O)(c1ccccc1)C1[C@H]2CCC[C@H]1C2Cl	101183456	ITYHHDMRFWDMBV-ZSVAQUKISA-N	270.781	2.866	50	40	CFGB	
C/C(=N/NC(=O)c1ccc(N(C)C)cc1)c1cccs1	6185208	OBYDWASIFLGONR-WJDWOHSUSA-N	287.388	2.968	50	40	CFGB	
O=C1[C@H](Br)CCCN1c1ccccc1	34436160	MFMWCNYXZVIHLW-SNVBAGLBSA-N	254.127	2.577	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2ccc(C)cc2[C@@H](C)CC1(C)C	223202763	YBZANMSMXQWIMT-GXTWGEPZSA-N	289.423	2.856	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1	231229	VOSYPRYLRMEULM-VGOFMYFVSA-N	293.666	2.605	50	40	CFGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(F)cc1	487170	BZILFEARXIPWSX-DJKKODMXSA-N	289.285	2.527	50	40	CFGB	
O=NN(Cc1cccnc1)C(=O)NC1CCCCC1	5390299	KKLFLNDULJXJNQ-UHFFFAOYSA-N	262.313	2.607	50	40	CFGB	
Cn1c([C@@H](O)CCl)nc2c3ccccc3ccc21	13207490	HRONAOBAVFUPOH-LBPRGKRZSA-N	260.724	2.999	50	40	CFGB	
C/C(=N\NC(=O)COc1ccccc1C)c1ccc(C)o1	5509531	POVCXFIOPWJSNL-GHRIWEEISA-N	286.331	2.816	50	40	CFGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)[C@@H]1CCCO1	1738819	AVDPQMRWSJPQNX-BXRZMRDGSA-N	287.146	2.623	50	40	CFGB	
COC(=O)c1cc(Cl)ccc1C(=O)[C@@H](C)Cl	309376818	VPSNIMAYSXJBNA-ZCFIWIBFSA-N	261.104	2.937	50	40	CFGB	
Cc1c(C[C@H](C)Cl)c(=O)oc2cc(O)ccc12	518351	PPDXTUNCVJVQMA-ZETCQYMHSA-N	252.697	2.977	50	40	CFGB	biogenic
CCOP(=O)(OCC)/C(C#N)=C/c1ncc[nH]1	1856536	MJKRQKCIYFFRJR-VQHVLOKHSA-N	255.214	2.540	50	40	CFGB	
CCC(CC)=NNC(=O)Cc1ccc(OC)c(OC)c1	59515909	BSWFTHKSNMNHMX-UHFFFAOYSA-N	278.352	2.539	50	40	CFGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)cc1)C(N)=O	408874977	FVVZNNDPYBUBIC-OQLLNIDSSA-N	280.302	2.809	50	40	CFGB	
Cc1ccc(C)c(C[C@@H](Br)C(=O)O)c1	76306425	SCXQVJUEQZBRDI-SNVBAGLBSA-N	257.127	2.694	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@@]23C)o1	5531124	RJTBTWJQVJQZGT-WRIGKJOHSA-N	289.379	2.622	50	40	CFGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccncc1	5370516	LTDNEHQXJZYWEF-VBEHJTROSA-N	299.399	2.854	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1C)c1ccc(O)cc1	588040	GNAIIQHSHDDGGI-SFQUDFHCSA-N	268.316	2.855	50	40	CFGB	
O=C(NNC(=O)C1CC1)c1ccc(-c2ccccc2)cc1	358500	SISYEPGHNAIHOY-UHFFFAOYSA-N	280.327	2.525	50	40	CFGB	
N#C/C(=C/c1cc(Br)cs1)C(=O)O	63110915	ROULRPKZPPOYSM-KTAJNNJTSA-N	258.096	2.502	50	40	CFGB	
CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)c1cccc(C)c1	4117904	XPNZNPZITSTAKW-VMOJBDSFSA-N	290.363	2.690	50	40	CFGB	
O=C1Nc2ccccc2S[C@@H]1CCBr	34154647	WRCXYTDZMOOWSK-SECBINFHSA-N	272.167	2.884	50	40	CFGB	
N#C/C(=C\c1ccc(O)cc1O)C(=O)Nc1ccc(F)cc1	6221679	UTYUQMJUSVLKIU-YRNVUSSQSA-N	298.273	2.783	50	40	CFGB	
O=C(N/N=C/c1cccc(O)c1)c1c[nH]c2ccccc12	493544	WKGOFUFVAITZIT-GIJQJNRQSA-N	279.299	2.637	50	40	CFGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(F)cc1	293546	XONWQNOMIISQIZ-HNNXBMFYSA-N	282.274	2.749	50	40	CFGB	
N#CC(C#N)=Cc1ccc(OC(=O)c2ccccn2)cc1	3175242	URTVGXXQRPEDBB-UHFFFAOYSA-N	275.267	2.731	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)/C=C/c2ccsc2)cc1	12614596	VOSZDDFGGZNBFN-QPJJXVBHSA-N	286.356	2.531	50	40	CFGB	
Cn1cccc1/C=C(/C#N)C(=O)NCCCc1ccccc1	409250285	MWVRVCWDDCEYNC-SSZFMOIBSA-N	293.370	2.681	50	40	CFGB	
Cc1cccc(C[C@H](Br)C(=O)O)c1C	76306452	RNJCUMOBNAFHRN-JTQLQIEISA-N	257.127	2.694	50	40	CFGB	
NNC(=O)c1cc(Cl)ccc1OCc1ccc(F)cc1	226319337	IBUMGRSVECDJOJ-UHFFFAOYSA-N	294.713	2.662	50	40	CFGB	
CCOC(=O)COc1cccc(CBr)c1	95627628	FGQCYQBPCJMPCS-UHFFFAOYSA-N	273.126	2.523	50	40	CFGB	
COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Cl)c1	35222671	FPWVMSYDJHLVBY-RKDXNWHRSA-N	271.744	2.508	50	40	CFGB	in-vitro
CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1	57786997	MNWXISDOPGTKGY-XDHOZWIPSA-N	293.326	2.721	50	40	CFGB	
O=C(N/N=C1\C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1O	110299553	MHJVLXOMOKAQLK-GXIDFIHSSA-N	278.739	2.951	50	40	CFGB	
COC1=C/C(=C2/SSN=C2Cl)C(=O)C=C1	32165704	OXNXRRYIRPHTIS-VURMDHGXSA-N	259.739	2.857	50	40	CFGB	
CCOP(=O)(OCC)/C(C#N)=C\c1[nH]cnc1C	8651847	RNZFYCQICSJXAD-POHAHGRESA-N	269.241	2.849	50	40	CFGB	
CN(C(=O)CCl)c1cccc(C(F)(F)F)c1	77434026	AAMFDEPASMQJEF-UHFFFAOYSA-N	251.635	2.907	50	40	CFGB	
CC(/C=C/c1ccccc1)=N\NC(=O)[C@H](O)c1ccccc1	4694133	JXDVRGMQJDBIDW-WZZWBDDUSA-N	294.354	2.926	50	40	CFGB	
O=C1O[C@H](CCl)CN1Cc1ccc(Cl)cc1	71405117	ADBRUQUEPBNRFU-SNVBAGLBSA-N	260.120	2.900	50	40	CFGB	
COc1ccccc1C(=O)N/N=C/c1ccc(F)cc1	237311	AYESFFDGKLWRDQ-LICLKQGHSA-N	272.279	2.598	50	40	CFGB	
Cc1ccc(C23C[C@@H]4C[C@H](CC(NC(=O)NN)(C4)C2)C3)cc1	100135063	LNBAWWJKTKKANZ-DIOPXHOYSA-N	299.418	2.758	50	40	CFGB	
CC1(C)CC(=O)[C@H](C(=O)CCc2ccco2)C(=O)[C@H]1Cl	104832602	QSRXWMPUHOLIOT-GXTWGEPZSA-N	296.750	2.573	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)C)cc2)cc1	5328542	VYRSPXVQJUVAON-LDADJPATSA-N	297.358	2.525	50	40	CFGB	
CCOc1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1	5475520	GGJNLSJGJKEYDO-UHFFFAOYSA-N	299.330	2.552	50	40	CFGB	
CCn1c(C)cc(/C=N/NC(=O)c2ccc(O)cc2)c1C	409070000	MNYJDTDHKXQBHS-LICLKQGHSA-N	285.347	2.594	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CC2(C)SCCS2)o1	409219789	USKGSOARUQHQRM-MDWZMJQESA-N	284.406	2.624	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)N/N=C/c2ccc(C)cc2)cc1	31628959	RSSRSRXIDJHWET-VHVWWYSBSA-N	294.358	2.971	50	40	CFGB	
ClCc1cn2c(I)cccc2n1	1776011170	ZGMBXYIGVKZEBB-UHFFFAOYSA-N	292.507	2.678	50	40	CFGB	
COc1ccc(NCC(=O)N/N=C2/CCC[C@H](C)C2)cc1	5986486	VLUSRGJFLCSHSF-XHAIIGHRSA-N	289.379	2.789	50	40	CFGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1	59312	FXVWHHYUBJFEOZ-LDADJPATSA-N	295.342	2.799	50	40	CFGB	
CN(Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)CCl	101674618	PDRDKSNPCXMMAJ-HUUCEWRRSA-N	294.826	2.785	50	40	CFGB	
N#CC(C#N)=CNc1cccc2c1C(=O)c1ccccc1C2=O	5224789	NYCRAOLNKZNZCO-UHFFFAOYSA-N	299.289	2.805	50	40	CFGB	
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=C(C#N)C#N	408990709	LLVSGGKKJMXCKU-UHFFFAOYSA-N	293.286	2.828	50	40	CFGB	
O=C(NC12CC3CC(CC(C3)C1)C2)C(Cl)Cl	5898736	IFBBKVKQAARROL-UHFFFAOYSA-N	262.180	2.875	50	40	CFGB	
O=C(N[C@@H](N=C=S)C(Cl)Cl)c1ccccc1	3137458	KFKJAUXBFQCWTG-SECBINFHSA-N	275.160	2.649	50	40	CFGB	
N#CCn1c(CCl)nc2sc3c(c2c1=O)CCCC3	3295216	WLEJEKHXZLCEPE-UHFFFAOYSA-N	293.779	2.599	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1C)c1ccccc1O	100031730	OGRZCKMCXRHCKE-SFQUDFHCSA-N	268.316	2.855	50	40	CFGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(C#N)cc1	100172163	RKZAWWHRWQDNBK-JTLPDYRGSA-N	281.359	2.835	50	40	CFGB	
C[C@]12CC[C@H]([C@H](Br)C1=O)[C@@]2(C)CCC(=O)O	72207287	UHBNKGHKJHETSR-KOMHVXODSA-N	289.169	2.620	50	40	CFGB	
O=C(Cc1nc2ccccc2[nH]1)NN=C1CCCCC1	5588844	XFRFHIAXEMKCGF-UHFFFAOYSA-N	270.336	2.542	50	40	CFGB	
C/C(Cc1ccccc1)=N\NC(=O)Cc1ccccc1	5620922	MBTYNGABYOZCNZ-NBVRZTHBSA-N	266.344	2.964	50	40	CFGB	
CC(C)c1ccc(OCc2ccc(C(=O)NN)o2)cc1	115371	JHFBWCRBDRTZCY-UHFFFAOYSA-N	274.320	2.586	50	40	CFGB	
CCOc1cc2c(cc1NC(=O)CCl)O[C@@H](C)C2	12505022	FPSYPUWVVIFGLM-QMMMGPOBSA-N	269.728	2.586	50	40	CFGB	
COc1cccc(C(=O)N/N=C2/C[C@@H]3CC[C@@H]2C3)c1	102182485	DDFXZNFQISCFDQ-SLPQRZBJSA-N	258.321	2.601	50	40	CFGB	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NN)cc2C1	2536930	ZDLDYLFPNXWQJY-SECBINFHSA-N	252.383	2.503	50	40	CFGB	
CCCCCC(=O)NNC(=O)c1cc(C)c(CC)s1	12902174	FYLBEQXQSQOXAV-UHFFFAOYSA-N	282.409	2.960	50	40	CFGB	
COc1cccc(/C(C)=N/NC(=O)OC(C)(C)C)c1	6674817	XWRCTBGZZYDIAB-XNTDXEJSSA-N	264.325	2.944	50	40	CFGB	
Cc1cc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c(C)o1	33089282	KNKOMASVXMDLMF-NVNXTCNLSA-N	287.275	2.569	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)COc2ccccc2)cc1	33311236	GIDLJVYIOCEPHZ-BOPFTXTBSA-N	268.316	2.524	50	40	CFGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1	96663370	KWFCGRNBVUXLFQ-PTNGSMBKSA-N	285.391	2.964	50	40	CFGB	
CC(C)(CCl)C(=O)Nc1cc([N+](=O)[O-])ccc1O	35587986	DVOAXJWTJSWWAG-UHFFFAOYSA-N	272.688	2.504	50	40	CFGB	
COC(=O)[C@@H]1[C@H]2CC[C@@]1(C)[C@]2(C)CBr	242437500	CDSWKWSLJZFMRL-JZSSXWJLSA-N	261.159	2.607	50	40	CFGB	
CCc1cccc2c(/C=C(/C#N)C(N)=S)c[nH]c12	8202557	ZRTMPPMALQVUMK-POHAHGRESA-N	255.346	2.923	50	40	CFGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)C(N)=O	59133120	ZUOUPTCSCPZPDX-NTEUORMPSA-N	296.301	2.797	50	40	CFGB	
O=C(O)C12C[C@H]3CC(C[C@@H](C3)C1)[C@@H]2Br	108424424	WHNYCVXNHIOFPE-AYIJYCAOSA-N	259.143	2.661	50	40	CFGB	
CCN1C(=O)/C(=C(\C#N)C(=O)C(C)(C)C)c2ccccc21	2637906	YHWIJJCHWNBAOC-WYMLVPIESA-N	282.343	2.945	50	40	CFGB	
O=C(NNc1ccc(F)cc1)c1ccc2c(c1)COC2	64487551	AVGHWZHOJFWUOA-UHFFFAOYSA-N	272.279	2.613	50	40	CFGB	
N#CC(C(=O)Nc1ccccc1)=C1Nc2ccccc2N1	9015239	PERQWGJYVJQSCD-UHFFFAOYSA-N	276.299	2.898	50	40	CFGB	
CC(C)C(=O)N/N=C/c1c(O)ccc2ccccc12	18194425	SRGOQLBSJXDFTE-CXUHLZMHSA-N	256.305	2.652	50	40	CFGB	
CC1(C)O[C@H]2CN[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1	196022269	OJQCXEITXMMYOK-GRYCIOLGSA-N	287.476	2.500	50	40	CFGB	
Cc1ccccc1C(=O)N/N=C/c1cccc(F)c1	5620172	AMXJANRRVTXBMR-LICLKQGHSA-N	256.280	2.898	50	40	CFGB	
N#CC(C#N)=Cc1cccc2c1ccn2C(=O)CCC(=O)O	13575900	GZGIGSYTBIJKEQ-UHFFFAOYSA-N	293.282	2.577	50	40	CFGB	
C#CCOc1ccccc1/C=N/NC(=O)c1ccccc1C	6959594	JLUFERLIGLVGFA-CPNJWEJPSA-N	292.338	2.771	50	40	CFGB	
C/C(=N\NC(=O)c1cccnc1)c1cc(C)ccc1C	7931323	QXIXMZDFWWMKRO-QGOAFFKASA-N	267.332	2.852	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)c(C)c1	6189767	HTCBJKZQVYZWPM-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
CCN(CC)c1cc(OC)c(C(=O)Cl)cc1[N+](=O)[O-]	45957645	PZDLFLXODRRPKT-UHFFFAOYSA-N	286.715	2.829	50	40	CFGB	
CC(=O)OC(=O)c1ccccc1COc1ccccc1	223541636	ZQWQWAHMGAVGFL-UHFFFAOYSA-N	270.284	2.969	50	40	CFGB	
C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(C)c(C)c1	5618003	XFAURZCKSDWMIM-WFVLPUPGSA-N	296.370	2.877	50	40	CFGB	
C/C(=N\NC(=O)c1ccncc1)c1cccc(Cl)c1	17002176	KQQSBVWBUPQJNF-LICLKQGHSA-N	273.723	2.889	50	40	CFGB	
COc1ccc(Cl)cc1C[C@H](Br)C(=O)O	107843419	KFMVUGDFGFFYSO-QMMMGPOBSA-N	293.544	2.739	50	40	CFGB	
CO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccccc1	4481818	SVJGIPSBCMGCES-JFLZBYRCSA-N	294.354	2.699	50	40	CFGB	
ClC[C@H]1CN(Cc2ccccc2Cl)CCO1	19855144	GMRPTPFVUNCUFC-NSHDSACASA-N	260.164	2.780	50	40	CFGB	
COc1ccc(-c2cn(CCl)cn2)c(OC)c1	199738390	RLPYVMBUFRPNBR-UHFFFAOYSA-N	252.701	2.764	50	40	CFGB	
N#C/C(=C\c1cccc(O)c1)C(=O)NCc1cccs1	41688819	UFRDIOPNDQJLJU-KPKJPENVSA-N	284.340	2.677	50	40	CFGB	
BrCCOc1ccc([C@H]2NCCS2)cc1	12336772	BKAUWTAOEQBMRE-NSHDSACASA-N	288.210	2.795	50	40	CFGB	
N#CCCn1cc(C=C(C#N)C#N)c(-c2ccccc2)n1	3168721	LGNGVPBNLBVAOB-UHFFFAOYSA-N	273.299	2.894	50	40	CFGB	
CCCCCC[C@@H](C(=O)NN)P(=O)(OCC)OCC	5524088	GGYRYZGJGCOIFN-NSHDSACASA-N	294.332	2.581	50	40	CFGB	
CCOC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O	171983	MVKVCPOZAMQBKR-WLRTZDKTSA-N	277.107	2.779	50	40	CFGB	
N#C/C(=C\c1ccc(Cl)s1)C(=O)NC[C@H]1CCCO1	2795166	TWASTDRMXLARCE-OLKPEBQYSA-N	296.779	2.604	50	40	CFGB	
COc1ccc2c(c1)c(CBr)c(C)c[n+]2[O-]	1584839	FJQVMOFYRNBCFE-UHFFFAOYSA-N	282.137	2.685	50	40	CFGB	
CC/C(=N\NC(=O)c1cccc(O)c1)c1ccccc1O	17009169	NKKWDYSPJNHACA-SAPNQHFASA-N	284.315	2.642	50	40	CFGB	
O=C(N/N=C\C=C/c1ccccc1)c1ccncc1	17289854	IZMVXNJRIXIGGM-CJIJWIPPSA-N	251.289	2.511	50	40	CFGB	
N#Cc1ncccc1C(Br)Br	101074375	KKEWJNRFQAPCSX-UHFFFAOYSA-N	275.931	2.742	50	40	CFGB	
CN1CCC2(CC1)SSC1(CCN(C)CC1)S2	1579074	BOKHNVRNGHYKSE-UHFFFAOYSA-N	290.523	2.958	50	40	CFGB	
CC(C)(C)C1CCC(C(=O)NNC(=O)c2ccco2)CC1	12853022	DCURTNPSYBBOMA-UHFFFAOYSA-N	292.379	2.893	50	40	CFGB	
N#C/C(=C\c1cccc(F)c1)C(=O)Nc1nccs1	3617132	KJSYDRXPYZLBQB-UXBLZVDNSA-N	273.292	2.828	50	40	CFGB	
CCCOc1ccc2ccccc2c1/C=N/NC(N)=O	4544238	IWSHDAPWCUIXAS-LICLKQGHSA-N	271.320	2.631	50	40	CFGB	
C#CCOc1ccccc1/C=N/NC(=O)Nc1ccccc1	4540125	SEPDAYCKVUSBBO-QGOAFFKASA-N	293.326	2.854	50	40	CFGB	
O=C(Cn1ccc2ccccc21)N/N=C/c1cccc(F)c1	4676508	WCBBXKYSEKCNHR-YBFXNURJSA-N	295.317	2.931	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)CNc2ccccc2)cc1	5725274	DLDXIAGPRQCOFX-CPNJWEJPSA-N	297.358	2.648	50	40	CFGB	
CC(C)(C)c1cc(C(=O)NN=C2CCCCC2)[nH]n1	336206	DJOIMMSAVXCXIJ-UHFFFAOYSA-N	262.357	2.757	50	40	CFGB	
COc1ccc2c(c1)CCC1=C2CC[C@]2(C)C(=O)OC(=O)[C@H]12	104144566	BPDWLNHGMNZBGQ-YJBOKZPZSA-N	298.338	2.895	50	40	CFGB	
CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)Cl	68575829	VZZFKEVQOJQAPS-SSDOTTSWSA-N	275.757	2.799	50	40	CFGB	in-vitro
CN(C)c1ccccc1C(=O)N/N=C\c1ccc(F)cc1	31719757	BLQRIJGIPZSDCT-WQRHYEAKSA-N	285.322	2.656	50	40	CFGB	
O=C(CCl)N(Cc1cnc(Cl)s1)C1CC1	79421992	IPMKRPHSAYXKSN-UHFFFAOYSA-N	265.165	2.526	50	40	CFGB	
CCCOc1ccc(C(=O)N/N=C/c2ccncc2)cc1	2751860	DHCLEYFVFIPUHF-LDADJPATSA-N	283.331	2.634	50	40	CFGB	
C/C(=N\NC(=O)c1ccccn1)c1ccccc1Cl	4986701	DNHZGGKXEPDSDL-LICLKQGHSA-N	273.723	2.889	50	40	CFGB	
O=C(Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	8702118	HENNRCAGRSKDNY-UHFFFAOYSA-N	254.673	2.574	50	40	CFGB	
COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Cl)c1	35222670	FPWVMSYDJHLVBY-BDAKNGLRSA-N	271.744	2.508	50	40	CFGB	in-vitro
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(O)cc1	100921345	DBDYIVALDDTKPD-JDUSTHLWSA-N	272.348	2.669	50	40	CFGB	
CSC1=C(C#N)[C@]2(CCC[C@H](C)C2)[C@H](C#N)C(=O)N1	102413822	YNAVOJRYHMGRRQ-RBZYPMLTSA-N	275.377	2.551	50	40	CFGB	
COCc1c(C)cc(C)c(/C=C(\C#N)C(N)=S)c1C	5175574	QGCWGUDGUBXHBN-WUXMJOGZSA-N	274.389	2.951	50	40	CFGB	
C/C(=N\NC(=O)CSc1ccccn1)c1ccccc1	4869521	MVRRJXYHLVHSJZ-SFQUDFHCSA-N	285.372	2.714	50	40	CFGB	
O=C(CCBr)Nc1ccc(F)cc1F	2577695	NWCPINJAXDNUIM-UHFFFAOYSA-N	264.069	2.688	50	40	CFGB	
C[C@@]1(C2CC2)CC(C2CC2)=C(C#N)C(=C(C#N)C#N)N1	1508763	FFFFHRVPGNJCMD-INIZCTEOSA-N	264.332	2.680	50	40	CFGB	
CC[N+](C)(C)C[C@H](Br)[C@@H](C)Br	3164415	YXIPKWBUPAZNIX-SFYZADRCSA-N	288.047	2.630	50	40	CFGB	
O=C(N/N=C/C=C/c1c[nH]c2ccccc12)c1ccncc1	1881911	YZWRQIPVYADIHR-LHWUAALPSA-N	290.326	2.992	50	40	CFGB	
CC(=O)c1ccc(NC(=O)CCBr)cc1	26438710	JEKIAGLXABTCGO-UHFFFAOYSA-N	270.126	2.613	50	40	CFGB	
COc1ccc(NCC(=O)N/N=C/C2CCCCC2)cc1	6230477	GSQFJXJLRQVMCN-WOJGMQOQSA-N	289.379	2.789	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)o1	5417600	ZCIIYIQURJMPDZ-KEHLMIKKSA-N	260.337	2.864	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1ccccc1Br	6827622	ABNUATPBKYJNTQ-XFFZJAGNSA-N	293.164	2.881	50	40	CFGB	
CC(C)(C)c1noc2c1[C@H](c1cccnc1)C(C#N)=C(N)N2	55008631	DGCUDDLKLPZPBZ-LLVKDONJSA-N	295.346	2.618	50	40	CFGB	
CC/C(=N\NC(=O)c1ccncc1)c1ccc(OC)cc1	12558532	WXSDMDACKCVICR-OBGWFSINSA-N	283.331	2.634	50	40	CFGB	
C[C@H](Br)C(=O)c1ccc([N+](=O)[O-])cc1	57665791	KENDQBRWAPDVHD-LURJTMIESA-N	258.071	2.561	50	40	CFGB	
CC(=O)N/N=C/c1cccn1-c1cccc(C)c1C	409014782	YMWRVPAXBXPHOQ-MHWRWJLKSA-N	255.321	2.564	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)OCO2	4614427	UVDLSJWAMABVIP-TWHONWPKSA-N	286.331	2.567	50	40	CFGB	
CCCC(=O)NNC(=O)COc1ccccc1[C@@H](C)CC	8569366	MGBIPJCUBSOAKZ-LBPRGKRZSA-N	292.379	2.526	50	40	CFGB	
O=C(NNC(=O)C1CCC1)c1cc(Cl)ccc1Cl	18097593	ZDQAUWLEDXJQLI-UHFFFAOYSA-N	287.146	2.555	50	40	CFGB	
Cc1cc(C)c(OCC(=O)N=C=S)c(Cl)c1	70461490	SWUNHIBFEBXMRT-UHFFFAOYSA-N	255.726	2.965	50	40	CFGB	
CN(CCCBr)C(=O)OC(C)(C)C	35636645	PIUWBRCCWDAPFG-UHFFFAOYSA-N	252.152	2.638	50	40	CFGB	in-vitro
O=C(N/N=C/C=C/C=C/c1ccco1)c1ccncc1	255190215	VRSYOWIDZHEHMR-PEDBSEHISA-N	267.288	2.660	50	40	CFGB	
COC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	16189542	MVKZVXFLNYUOFK-TWGQIWQCSA-N	255.195	2.785	50	40	CFGB	
COc1cc(C=C(C#N)C#N)ccc1OC(=O)c1ccco1	796541	KGACIGMYTAQJIC-UHFFFAOYSA-N	294.266	2.938	50	40	CFGB	
O=C(NCCBr)Nc1cccc2cccnc12	1722358	RGDLBFDDNZYBPZ-UHFFFAOYSA-N	294.152	2.751	50	40	CFGB	
COc1ccc(C(=O)O)cc1[C@]1(O)CCCC[C@H]1Cl	4974380	WSIZHAAZWUJWDU-TZMCWYRMSA-N	284.739	2.762	50	40	CFGB	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)NC[C@@H]1CCCO1	7159827	SRJRSBQMGHEKQY-FPLZIFBZSA-N	296.370	2.835	50	40	CFGB	
N#C[C@H](C(=O)C(Cl)Cl)c1nc2ccccc2[nH]1	239563258	ZMCJHLURXNDGBG-ZCFIWIBFSA-N	268.103	2.543	50	40	CFGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(O)cc2)c1	409363981	MTFZECZHNZKABM-WQRHYEAKSA-N	282.343	2.702	50	40	CFGB	
O=C(N/N=C\c1cccnc1)c1ccc(Cl)s1	32578331	DGYBUEOKDOQJOJ-AUWJEWJLSA-N	265.725	2.560	50	40	CFGB	
O=C(CSc1ncccn1)NN=C1CCCCCCC1	382250	WSTPOMWOBJMMBD-UHFFFAOYSA-N	292.408	2.785	50	40	CFGB	
CN1CCC(=NNC(=O)c2cccc3ccccc23)CC1	55372399	UCQLDPBRTRWEDM-UHFFFAOYSA-N	281.359	2.651	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1C1CC1	8334184	NVMCJCLIGOTBJG-MDWZMJQESA-N	269.348	2.625	50	40	CFGB	
CCC(C)=NNC(=O)c1ccc(Br)cc1	252394525	ONLKGQTWPCSLLZ-UHFFFAOYSA-N	269.142	2.965	50	40	CFGB	
CC(C)(C)C(=O)/C=C(/NNC(=O)c1ccccc1)C(F)F	408722691	CRNDGUFNLYWFRC-PKNBQFBNSA-N	296.317	2.685	50	40	CFGB	
CC(C)[C@H](Br)C(=O)N1C[C@@H](C)C[C@@H](C)C1	19507993	NSMZGWTYMABJNA-AXFHLTTASA-N	276.218	2.910	50	40	CFGB	in-vitro
CO[C@@H]1C(=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C	195817613	GWGVOINFXAUNAY-VXGBXAGGSA-N	272.417	2.505	50	40	CFGB	
CCCCOc1ccc(/C=N/NC(=O)OCC)cc1	3191137	RMTRKCSDXMXOHM-RVDMUPIBSA-N	264.325	2.946	50	40	CFGB	
CC(C)C(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)o1	14129082	PGZXRWRKNDOTGO-UHFFFAOYSA-N	290.294	2.503	50	40	CFGB	
CCc1cccc2c(/C=C(\C#N)C(N)=C(C#N)C#N)c[nH]c12	102241856	FUHIJPPFUGUBFM-WUXMJOGZSA-N	287.326	2.897	50	40	CFGB	
COc1ccc(CC(=O)N/N=C(\C)CC(C)C)cc1	4156103	FHJQWLVVKBZUJY-FOWTUZBSSA-N	262.353	2.776	50	40	CFGB	
COc1ccc(/C=N\NC(=O)c2ccc(C)cc2)c(OC)c1	34871903	JFQWGNMFIKZVDI-WQRHYEAKSA-N	298.342	2.776	50	40	CFGB	
CC(=O)Nc1c(Br)cccc1C(=O)Cl	199746540	BGPJOQDAYFTBHR-UHFFFAOYSA-N	276.517	2.787	50	40	CFGB	
O=[N+]([O-])c1c(F)cc(CBr)cc1F	95933064	HHGDRLWUNUBJEF-UHFFFAOYSA-N	252.014	2.768	50	40	CFGB	
O=C1C(CCl)(CCl)CC[C@]12CN=C(Cl)C2	5496398	WJPJWBRNKFJBKO-VIFPVBQESA-N	268.571	2.841	50	40	CFGB	
C/C(=C\c1ccco1)[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	32577	ZETCJLQRBCEWTM-WMADIVHISA-N	282.303	2.585	50	40	CFGB	
CC1=C(COC(=O)Cl)C(=O)c2ccccc2C1=O	402388	XCVULGGTLYBHMP-UHFFFAOYSA-N	264.664	2.758	50	40	CFGB	
CCC(CC)=NNC(=O)COc1c(C)cccc1C	8497129	CLAJQKYUFPXNOU-UHFFFAOYSA-N	262.353	2.974	50	40	CFGB	
CC(C)C(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1	9366395	XJJZRUTXWRHZOO-UHFFFAOYSA-N	296.370	2.700	50	40	CFGB	
Cc1ccc(NC(=O)NNC(=O)c2ccco2)cc1Cl	9584495	IGBHTTRUFCXXHD-UHFFFAOYSA-N	293.710	2.708	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(O)c2)cc1C	408567620	OYFDODDXZSNUBL-WOJGMQOQSA-N	282.343	2.702	50	40	CFGB	
O=CC(C=O)=C(NC1CCCCC1)c1ccccc1	8643159	QLCUKKBYXNEMAQ-UHFFFAOYSA-N	257.333	2.718	50	40	CFGB	
Cc1cccc(NCC(=O)N/N=C/C=C/c2ccco2)c1	3153456	ZPHNDLASHFMUKZ-JOCKMQGLSA-N	283.331	2.815	50	40	CFGB	
COc1ccc(C(C#N)=C2C=CC(=NO)C=C2)cc1	4377509	CDNLWJKHJRCMDV-UHFFFAOYSA-N	252.273	2.929	50	40	CFGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NC1CCCCC1	1450788	CHRXUNZMXQZKBM-JYRVWZFOSA-N	298.342	2.771	50	40	CFGB	
N#CC(C#N)=Cc1ccc(-c2cc([N+](=O)[O-])ccc2O)o1	59416961	FRWWLGXROLXECJ-UHFFFAOYSA-N	281.227	2.991	50	40	CFGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(C#N)cc1	409384268	CECHMMCPQKOGBR-SXGWCWSVSA-N	290.326	2.654	50	40	CFGB	
CC(C)(CCl)C(=O)Nc1ccc(N2CCOCC2)cc1	3116698	RJLKOVIQKZARLS-UHFFFAOYSA-N	296.798	2.727	50	40	CFGB	
CN(C)C(/C=C/Nc1c(F)cccc1F)=C(C#N)C#N	1382083	GVMNNUDYMNRGMY-VOTSOKGWSA-N	274.274	2.753	50	40	CFGB	
CN(Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)CCl	101674613	PDRDKSNPCXMMAJ-CABCVRRESA-N	294.826	2.785	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2ccccc2)cc1	5289190	JBDQPXRSJBNZJM-SFQUDFHCSA-N	268.316	2.849	50	40	CFGB	
COc1cc(/C=C(/C#N)C(N)=S)cc(Cl)c1OC	408544621	VYWLLGHJMZARQJ-BAQGIRSFSA-N	282.752	2.550	50	40	CFGB	
CC1=CC(C)(C)N(C(C)(C)C(=O)NN)c2ccc(C)cc21	223207246	GABRFINXTNKIDY-UHFFFAOYSA-N	287.407	2.765	50	40	CFGB	
N#C/C(=C\c1ccccc1O)c1nnc2n1CCCCC2	98027853	VQCYPRNSEREKDD-JLHYYAGUSA-N	280.331	2.774	50	40	CFGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccc(O)cc1	57307338	WTMREAKAYCYEMI-NTEUORMPSA-N	250.298	2.641	50	40	CFGB	
Br[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1Br	100808138	QMXMUMFLBFAAGK-GBNDHIKLSA-N	251.949	2.719	50	40	CFGB	
COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1	36223959	WXDYGWBKFQXDEW-WQRHYEAKSA-N	286.306	2.527	50	40	CFGB	
O=S1(=O)C[C@@]23C=CC=C[C@@]2(CCCC3)[C@H]1Cl	5105849	GPAIKHSCWSQBTK-SDDRHHMPSA-N	258.770	2.653	50	40	CFGB	
CC(C)OC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])s1	6364724	UFHCGQBIXFAKNX-VMPITWQZSA-N	266.278	2.515	50	40	CFGB	
C[C@@H](OCc1ccccc1)C(=O)NN(C)c1ccccc1	40088873	VVHYPXCLBZVUOI-CQSZACIVSA-N	284.359	2.759	50	40	CFGB	
O=C1CCC/C(=N/NC(=O)c2cc3ccccc3cc2O)C1	102833656	JFGSWARAKMKECB-AQTBWJFISA-N	296.326	2.774	50	40	CFGB	
O=[S@](CCCl)c1ccc(Br)cc1	32628301	RHOVVYOIUVMYLJ-LBPRGKRZSA-N	267.575	2.796	50	40	CFGB	
CCCC[C@H]1CC[C@H](c2ccc(B(O)O)cc2)CC1	245224478	XAPVHVFVQKPDAJ-HDJSIYSDSA-N	260.186	2.830	50	40	CFGB	
N#C/C(=C/c1ccc(Cl)cc1)c1nnc(N)s1	96316101	MSEWLXZEPSLLKS-YVMONPNESA-N	262.725	2.838	50	40	CFGB	
O=C(N/N=C/c1ccc(O)cc1)c1cccc2cc[nH]c12	289965	FZAPMQAHUPXEGL-VCHYOVAHSA-N	279.299	2.637	50	40	CFGB	
C[C@@H]([C@@H](O)c1ccccc1)N(C)CCCN=C=S	5919620	NIIILSARNLPUMP-GXTWGEPZSA-N	264.394	2.533	50	40	CFGB	
O=C(NCCBr)c1cccc2ccccc12	1722361	SWYKHWHXOLTWQS-UHFFFAOYSA-N	278.149	2.965	50	40	CFGB	
C[C@@]12CC[C@@H](C[C@@H]1O)[C@@]2(C)CI	4228158	MBRHUYLTVIYBIZ-AXTSPUMRSA-N	280.149	2.609	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc2c(c1)OCO2	101560894	UVDLSJWAMABVIP-JUWYJTDVSA-N	286.331	2.567	50	40	CFGB	
Cc1ccc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)o1	409377445	IATOYJSAZSEAGQ-JYRVWZFOSA-N	269.304	2.684	50	40	CFGB	
CC1(C)CC(=NNC(=O)c2ccccc2)CC(C)(C)N1	5196554	IILKPNKPOHOROI-UHFFFAOYSA-N	273.380	2.713	50	40	CFGB	
Cc1c(C[C@@H](C)Cl)c(=O)oc2cc(O)ccc12	518350	PPDXTUNCVJVQMA-SSDOTTSWSA-N	252.697	2.977	50	40	CFGB	biogenic
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc[nH]1	2749474	MAYUZECJHRXZJB-PKNBQFBNSA-N	267.288	2.569	50	40	CFGB	
CCOC(=O)N[C@@H](OCCCl)C(Cl)(Cl)Cl	2141172	PMIYFSFAOJGQLS-YFKPBYRVSA-N	298.981	2.684	50	40	CFGB	
Cc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)o1	5069630	RZPOHCCCJNLVKZ-FMIVXFBMSA-N	268.320	2.970	50	40	CFGB	
CCCc1n[nH]c2c1[C@@H](Cc1ccccc1)C(C#N)=C(N)O2	4452966	DADOBSYRAHZLLW-LBPRGKRZSA-N	294.358	2.775	50	40	CFGB	
C[C@H](Cl)C(=O)Nc1cc(C(=O)O)ccc1Cl	74941406	TWBOEBJBDVIDBP-YFKPBYRVSA-N	262.092	2.604	50	40	CFGB	
CCOC(=O)c1c(C)csc1NC(=O)[C@@H](C)Cl	95939014	ZLAMVNUQRGANAH-SSDOTTSWSA-N	275.757	2.799	50	40	CFGB	
N#Cc1ccc(N/C=C2/C(=O)OC(=O)c3ccccc32)cc1	103481539	WJEHOJDNBOOCKK-XNTDXEJSSA-N	290.278	2.708	50	40	CFGB	
CCCCN[P@@](=O)(N1C[C@@H]1CC)N1C[C@H]1CC	301054384	BNYKFJHKVHYOIL-JEMJHWDHSA-N	259.334	2.673	50	40	CFGB	
Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)NC(C)C	303608	MOGUHBVGGJUMDP-WQLSENKSSA-N	267.332	2.908	50	40	CFGB	
N#CC(C#N)=Cc1ccccc1I	3042645	OZCIBKQZAKMDQX-UHFFFAOYSA-N	280.068	2.722	50	40	CFGB	
COCc1ccc2c(CBr)cc(=O)oc2c1	89629935	QSAZVTFOZZAJLB-UHFFFAOYSA-N	283.121	2.834	50	40	CFGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cccc(O)c2)cc1	409060487	WGHJCHRRYRUSFN-WKZRCPIQSA-N	296.326	2.564	50	40	CFGB	
CCOc1ccccc1/C=N\NC(=O)c1ccccc1	33320073	ZIGQJCUFUHFCSR-ATVHPVEESA-N	268.316	2.849	50	40	CFGB	
O=C(CNc1ccccc1F)N/N=C/[C@@H]1CC=CCC1	5446569	QHWBWNWEGRHZLI-SGEFVQMOSA-N	275.327	2.696	50	40	CFGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cccnc1	233604	CVNHDWXYSSWJCQ-PBSOMRJOSA-N	285.372	2.713	50	40	CFGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cccs1	238227	HYOUDOZLARELBV-CXUHLZMHSA-N	288.372	2.894	50	40	CFGB	
COc1ccc(C(=O)CCl)cc1Br	3426722	AEBHPFFPACVVLV-UHFFFAOYSA-N	263.518	2.879	50	40	CFGB	
O=C(CCl)NCCc1cccc(Cl)c1Cl	57214366	KXZSDDDWTOHUAM-UHFFFAOYSA-N	266.555	2.891	50	40	CFGB	
C[C@@H]1CCCC/C1=N\NC(=O)c1ccc2c(c1)OCO2	4499082	BYWYDIMJFOGNDV-RXLYCMMBSA-N	274.320	2.711	50	40	CFGB	
NC(=O)N/N=C\c1ccc2c(Br)cccc2c1	33368461	QETGWFMJOYRUNI-CHHVJCJISA-N	292.136	2.605	50	40	CFGB	
N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)NC1CCCCC1	5765978	BIIXYKJOIAURGG-GXDHUFHOSA-N	298.342	2.741	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccncc1	12529002	ROQYLEMEOSTSLS-LICLKQGHSA-N	273.723	2.889	50	40	CFGB	
C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1cccs1	93788	VVDWJARQHBZOGZ-HGLKBHAMSA-N	274.345	2.666	50	40	CFGB	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1	203827	DQOFBYHXPUTJSF-MRXNPFEDSA-N	278.311	2.919	50	40	CFGB	
C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccncc1	34857890	NVQLHWDEXQQMSL-XMHGGMMESA-N	297.358	2.618	50	40	CFGB	
CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(F)cc1	59434241	AJSZSMNGXQKGBD-UHFFFAOYSA-N	293.342	2.837	50	40	CFGB	
Cc1nc(-c2ccccc2)nc2c1C[C@H](CSC#N)O2	2275651	DOTHOIIOJTZHKR-GFCCVEGCSA-N	283.356	2.970	50	40	CFGB	
O=C(CCCl)n1c(=O)oc2cc(Cl)ccc21	2317047	YWEJHEAGUBYHER-UHFFFAOYSA-N	260.076	2.517	50	40	CFGB	
Cc1ccc2c(c1)S(=O)(=O)C(C#N)=C1CCCCN12	67172863	SSDSHNNWDGDEFX-UHFFFAOYSA-N	274.345	2.508	50	40	CFGB	
CC(C)(C)[C@H]1COC(/C(C#N)=C2\N[C@@H](C(C)(C)C)CO2)=N1	1975529839	KQHRHZYBJJEEAH-NQJDNNLISA-N	291.395	2.599	50	40	CFGB	
COc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1O	13736764	UQAOPYDKTSVAIA-XFFZJAGNSA-N	259.305	2.923	50	40	CFGB	
C/C(CC[C@@H]1CCc2ccccc2C1)=N/NC(N)=O	5503179	HFNOOOSSOLEJDC-ZSAINHDTSA-N	259.353	2.616	50	40	CFGB	
C/C(=N\NC(=O)CNc1ccccc1)c1cc(C)ccc1O	102377580	VMUQEROMJMKNON-CPNJWEJPSA-N	297.358	2.653	50	40	CFGB	
Nc1ccccc1C(=O)N/N=C/c1c(F)cccc1Cl	45699	GPRBDKBIRTVNLO-QGMBQPNBSA-N	291.713	2.825	50	40	CFGB	
NNC(=O)c1ccc(OCc2ccccc2)cc1Cl	2578132	RVTBJOCPSSMWQI-UHFFFAOYSA-N	276.723	2.523	50	40	CFGB	
Cc1ccc(N[C@@H]2SC(=O)N(CCCl)C2=O)c(C)c1	36626571	FVCGNKLFPOBHKY-LLVKDONJSA-N	298.795	2.976	50	40	CFGB	
COC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	7060599	WMDMCQWRPPRNQF-FLIBITNWSA-N	298.254	2.935	50	40	CFGB	
O=C(N/N=C(\c1ccccc1)c1ccncc1)c1ccco1	6337334	NZEQDVFKHVMGBB-KNTRCKAVSA-N	291.310	2.857	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(C)ccc2O)cc1	58391	KJXBKUBDCYJTSD-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
O=C(N/N=C1/CCCCc2ccccc21)c1cccnc1	33497166	ZKQAVLYEKMSZOC-MNDPQUGUSA-N	279.343	2.942	50	40	CFGB	
N#C/C(=C/c1ccccc1O)C(=O)Nc1ccccc1	59484118	SEIPGYQKEYVRIX-RAXLEYEMSA-N	264.284	2.938	50	40	CFGB	
CC(/C=C/c1ccco1)=N\NC(=O)[C@@H](O)c1ccccc1	13496699	BLJMTHHFCRGBKI-MMFGRLJQSA-N	284.315	2.519	50	40	CFGB	
CC(C)(C)N(CCCI)C(=O)O	217718935	IBGRIMIKJBGSKZ-UHFFFAOYSA-N	285.125	2.590	50	40	CFGB	
Cc1cccc(O[C@@H](C)C(=O)N/N=C\c2ccccc2)c1	32109249	KTWPHBSDJWGMJB-HIXWQLQUSA-N	282.343	2.913	50	40	CFGB	
Cc1cc(OCCBr)ccc1[N+](=O)[O-]	1750523	GKEWOEIXHHYPKY-UHFFFAOYSA-N	260.087	2.677	50	40	CFGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2C)cc1	59117691	QWZUXMKJMFHDEC-RAXLEYEMSA-N	265.316	2.879	50	40	CFGB	
CCOC(=O)c1c(NC(=O)CCl)sc(CC)c1C	3249697	HBIMWUDFMNKFKL-UHFFFAOYSA-N	289.784	2.973	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)o1	100182395	RJTBTWJQVJQZGT-FWFMUOECSA-N	289.379	2.622	50	40	CFGB	
C/C(=N/NC(=O)COc1cccc(C)c1)c1ccccc1	17206785	LDSOZOITEVKVDB-JXAWBTAJSA-N	282.343	2.914	50	40	CFGB	
C[C@@H]1CN(c2ccc(/C=C/C#N)cc2[N+](=O)[O-])C[C@@H](C)O1	69899789	FMVBYJRPOXDNBH-BLDJZWNYSA-N	287.319	2.745	50	40	CFGB	
Cn1c(SCCCl)nnc1-c1ccccc1	89741410	REHGKYPAELWQMV-UHFFFAOYSA-N	253.758	2.813	50	40	CFGB	
Nc1ccc(S(=O)(=O)[C@H](Cl)c2ccccc2)cc1	8627540	WLWWOOJBMLDPLN-ZDUSSCGKSA-N	281.764	2.980	50	40	CFGB	
CC(=O)N(CCCCl)[C@H](C#N)c1ccccc1	2318938	NTQZTJCETBKODX-CYBMUJFWSA-N	250.729	2.729	50	40	CFGB	
O=C(CCC1CCCCC1)NNC(=O)c1ccccc1O	13001447	NSLUOBVHRNUILK-UHFFFAOYSA-N	290.363	2.514	50	40	CFGB	
CCOC(=O)NNc1cc(Cl)c(Cl)cc1[N+](=O)[O-]	16682966	PDEFVMQSUIMVTN-UHFFFAOYSA-N	294.094	2.975	50	40	CFGB	
O=C(/C=C/c1ccccc1)NNC(=O)Nc1ccccc1	587948	MBKLOEAYDCDTSL-VAWYXSNFSA-N	281.315	2.553	50	40	CFGB	
CCOC(=O)[C@H](/C(C)=N\NC(=O)c1cccs1)C(C)C	4520295	GQHCFUSMZASPQE-GQVHDAKQSA-N	296.392	2.689	50	40	CFGB	
Cc1cccc(C(=O)NN=C2CCC(C)CC2)c1O	16990027	XOEDJZQCOOCVOV-UHFFFAOYSA-N	260.337	2.997	50	40	CFGB	
CCOc1cccc(/C=N\NC(=O)c2ccccc2OC)c1	408590541	PNIIYLSKWBYMSU-PDGQHHTCSA-N	298.342	2.858	50	40	CFGB	
COc1cccc(C(=O)N/N=C\c2ccc(N(C)C)cc2)c1	33303552	RTGALKXDSYTQQA-PDGQHHTCSA-N	297.358	2.525	50	40	CFGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccsc1	408993319	DGJACXATKYLGJE-CHHVJCJISA-N	294.763	2.931	50	40	CFGB	
O=C1[C@H](Br)CCN1c1ccc(Cl)cc1F	82606916	QTXNRSYXEFCNAS-SSDOTTSWSA-N	292.535	2.979	50	40	CFGB	
F[C@@H]1C[C@H]2[C@@H](Cl)[C@@H]1NC2(C(F)(F)F)C(F)(F)F	19856764	DVWLACCWRDCQEN-NRXMZTRTSA-N	285.590	2.787	50	40	CFGB	
CCCCOc1cccc(CNC(=O)CCl)c1	41724187	ARYBKJQMFHUHES-UHFFFAOYSA-N	255.745	2.721	50	40	CFGB	in-vitro
Cc1cc(C)cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1	8335505	OFZQFUWENVVEQC-UHFFFAOYSA-N	285.303	2.969	50	40	CFGB	
O=C1OC(=O)[C@@H]2C(Cl)=C(Cl)C(Cl)=C(Cl)[C@@H]12	100494229	HFUBWSYLMUCDLL-LWMBPPNESA-N	287.913	2.694	50	40	CFGB	
C=CCOc1cccc(/C=N\NC(=O)Cc2ccccc2)c1	59515951	IUKBHTFBCPPVDJ-RGEXLXHISA-N	294.354	2.944	50	40	CFGB	
O=C(N/N=C1\C[C@@H]2C=CC[C@@H]12)c1ccc2ccccc2n1	20926582	YUGDJJZAHFVESW-IVHAYALXSA-N	277.327	2.917	50	40	CFGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccsc2)c1	8182190	RMFUNVNNLJHZTJ-LZYBPNLTSA-N	288.372	2.894	50	40	CFGB	
N#CC(NC(=O)Cc1cccs1)=C(Cl)Cl	35671877	OSTQYIVTECRNEV-UHFFFAOYSA-N	261.133	2.577	50	40	CFGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cccs1	36223910	RYQJZIRGNVFRDQ-DHDCSXOGSA-N	262.309	2.580	50	40	CFGB	
NNC(=O)c1cccc(-c2nc3ccc(F)cc3s2)c1	45923214	PTWNSDHBSPMUSG-UHFFFAOYSA-N	287.319	2.706	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)o1	563844	PJVMUFIUJVCOBD-DHZHZOJOSA-N	268.272	2.839	50	40	CFGB	
CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)c1	5836394	XFKLYOSPEBBHGH-JYRVWZFOSA-N	280.283	2.541	50	40	CFGB	
CCC[C@@H](C)[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	521757	AQHYFQILVUGFNJ-PRHODGIISA-N	274.320	2.554	50	40	CFGB	
C#CCOc1ccccc1/C=N/NC(=O)c1ccc(F)cc1	7894214	WJVJZWZRPVGCAT-XDHOZWIPSA-N	296.301	2.602	50	40	CFGB	
COc1ccc(C(=O)[C@H](C)Br)c(OC)c1	34246632	YQPRRUQLUXLYHV-ZETCQYMHSA-N	273.126	2.670	50	40	CFGB	in-vitro
CCCCCC(=O)NNC(=O)c1cc2c(s1)CCC2	24833358	IHUMWQJCOZFOII-UHFFFAOYSA-N	280.393	2.578	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc2c(cc1C)OCO2	408798849	GCLJXTXZPDRIOX-XXLSNGBASA-N	286.331	2.545	50	40	CFGB	
Fc1ccc(C2=NO[C@@H](CBr)C2)cc1	217841809	NYQDALSJAOTJGU-SECBINFHSA-N	258.090	2.714	50	40	CFGB	
CC[C@@H]1CN1P(=O)(N(CC)CC)N1C[C@H]1CC	263632905	GLCAMPNBWWCDIH-NLJLKESJSA-N	259.334	2.625	50	40	CFGB	
COc1ccc(C(=O)CBr)c(Cl)c1	36767282	QXHWXCZQULBDKA-UHFFFAOYSA-N	263.518	2.926	50	40	CFGB	
CC1=C(C#N)/C(=C/Nc2cccc(Cl)c2)CC(=O)N1	100101196	FLJRKPUYFDDFIN-CSKARUKUSA-N	273.723	2.953	50	40	CFGB	
CC(C)(C)c1ccc(O)c(/C=N/NC(=O)c2cccnc2)c1	4575990	WMUGEQVJZSSAPP-YBFXNURJSA-N	297.358	2.849	50	40	CFGB	
CCC(=O)Nc1ccc(C(=O)N/N=C(/C)CC)cc1	5482102	FFKYYDLBJZWBBM-YBEGLDIGSA-N	261.325	2.551	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@@H]1C2)c1ccccc1F	225629856	GTHHRFQFFPRILT-DTSGLJOZSA-N	258.296	2.754	50	40	CFGB	
N#C/C(=C\c1ccccn1)C(=O)Nc1ccc(F)cc1	16991165	KVVSVTHKRQMZEI-PKNBQFBNSA-N	267.263	2.766	50	40	CFGB	
CCCc1n[nH]c2c1[C@@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2	549822	MWKOBQBOYLBLSM-GWCFXTLKSA-N	284.363	2.888	50	40	CFGB	
O=C(CBr)OCCCc1ccccc1	1687385	WKNISXRVXGGHAM-UHFFFAOYSA-N	257.127	2.557	50	40	CFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)[C@@H]1C[C@@H]1c1ccccc1	16991057	YHEIMBVHBHKWFQ-YCGPIEMQSA-N	266.344	2.858	50	40	CFGB	
CC1=C2CCCCCC2=C(C#N)C(=C(C#N)C#N)N1	170622698	GSYGKSDEIVHBNH-UHFFFAOYSA-N	250.305	2.949	50	40	CFGB	
CCOC(=O)/C(=C(/O)CCl)c1nc(C)cs1	103543073	XSFZDJBMSSNHAN-BQYQJAHWSA-N	261.730	2.523	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C(\C)c2ccc(N)cc2)cc1	288681	MDSJGZYVQGOMLY-XDHOZWIPSA-N	297.358	2.822	50	40	CFGB	
COc1cc(C(=O)O)cc(C[C@@H](C)Cl)c1OC	7986302	GWVLZGIQZSLWOM-SSDOTTSWSA-N	258.701	2.572	50	40	CFGB	
Cn1c(/C(C#N)=C2/CCCCCN2)nc2ccccc21	25337374	UQKAEJVGHFEFGU-SEYXRHQNSA-N	266.348	2.972	50	40	CFGB	
CC(C)CC(=O)NNC(=O)c1ccc2c3c(cccc13)CC2	11678430	MOWXHEBRNHGXGN-UHFFFAOYSA-N	296.370	2.746	50	40	CFGB	
CCOc1ccccc1/C=C(/C#N)C(=O)NC(C)C	33362195	ANIANMJQHUHUDF-LCYFTJDESA-N	258.321	2.517	50	40	CFGB	
CCC(/C=N/NC(=O)CNc1ccc(OC)cc1)CC	4871854	GVGIFMTZNHZZSQ-LICLKQGHSA-N	277.368	2.645	50	40	CFGB	
CCOc1cc(/C=N/NC(=O)C2CCCCC2)ccc1O	357924	BBYQVKXJLUVFDH-GZTJUZNOSA-N	290.363	2.821	50	40	CFGB	
CC(=O)NNC(=O)c1cc2sc3ccccc3c2s1	32768101	SFGGXHSFAGABOA-UHFFFAOYSA-N	290.369	2.897	50	40	CFGB	
CC(C)CC(C)(C)COC(=O)CBr	1685788	HJCDFWOFGVOHMU-UHFFFAOYSA-N	251.164	2.997	50	40	CFGB	
O=C(CBr)Nc1ccccc1C1CC1	4675225	IKJOFBDFVZIRCE-UHFFFAOYSA-N	254.127	2.897	50	40	CFGB	
N#CSCC(=O)NCCSc1ccc(Cl)cc1	2191055	OOKJYBOVOAKIPJ-UHFFFAOYSA-N	286.809	2.763	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@@]21C	408880464	JEMIEYGGTFJILT-YOLCMTIRSA-N	286.375	2.972	50	40	CFGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)CC#N)cc1Cl	409012873	LHAIOWMRVJLGML-IYPWXLATSA-N	293.754	2.881	50	40	CFGB	
CC[C@@H](Cl)C(=O)Nc1cnn(CCCCF)c1	96509051	SWKWJFBLHMILSC-SNVBAGLBSA-N	261.728	2.589	50	40	CFGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)Nc1ccccc1	485359	HKAJFCBMQBTWQR-CXUHLZMHSA-N	283.287	2.571	50	40	CFGB	
C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(C)c(C)c1	5618000	XFAURZCKSDWMIM-GMYFBSLISA-N	296.370	2.877	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1)c1cnc2ccccc2n1	16137126	ZJMAVQUWGXXXCE-UDWIEESQSA-N	290.326	2.784	50	40	CFGB	
C[C@@H]1C[C@@H](C)O[P@@](=O)(N(CCCl)CCCl)N1	169389259	JXQRSUNWPFQCPR-ABFUHYCJSA-N	289.143	2.661	50	40	CFGB	
COc1cc(C(=O)NNc2ccccc2)cc(Cl)n1	163168	ATCUQNXAVMPRDE-UHFFFAOYSA-N	277.711	2.501	50	40	CFGB	
O=CC(C(=O)c1ccccc1)=C1SCCS1	5601164	FPSWWHXDHSAUCM-UHFFFAOYSA-N	250.344	2.760	50	40	CFGB	
C/C(=N/NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(F)cc1	551168	QTHXWKISXJGDLP-MFOYZWKCSA-N	286.310	2.580	50	40	CFGB	
Cc1cc(C)nc(NNC(=O)c2ccc(Cl)cc2)n1	343360	RIUZBCZTHABVKM-UHFFFAOYSA-N	276.727	2.504	50	40	CFGB	
COc1cccc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c1	408975657	BTLOVSPBLICIFE-RIYZIHGNSA-N	281.315	2.756	50	40	CFGB	
CC1(C)Oc2ccc(C#N)cc2[C@@H](O)[C@H]1Br	161267	PKZZJLKUYUVLMJ-GHMZBOCLSA-N	282.137	2.526	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(Br)cc1	6827562	HGYCNUDQLAJRPP-XFFZJAGNSA-N	293.164	2.881	50	40	CFGB	
O=[P@H](O)OCC(Cl)(CCCl)CCCl	113850733	VYXNKDASGZYICL-UHFFFAOYSA-N	269.492	2.620	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2	100335302	ILMWOYQXYMVDBH-PPODPHKOSA-N	256.349	2.767	50	40	CFGB	
O=C(CBr)Cc1ccc(Br)cc1	84199268	ZNELHTAJZZIRPC-UHFFFAOYSA-N	291.970	2.956	50	40	CFGB	
O=C(CCCC[C@@H]1CCSS1)N1CCOCC1	34962800	WALUFLUQPVMJTC-LLVKDONJSA-N	275.439	2.559	50	40	CFGB	biogenic
CCCc1nc2c(o1)OC(N)=C(C#N)[C@@H]2c1cccc(O)c1	125641	QBEOWXKEHZDXJZ-ZDUSSCGKSA-N	297.314	2.551	50	40	CFGB	
N#C/C(=C/c1ccc([N+](=O)[O-])o1)c1ccc2c(c1)OCO2	409364526	NXSKHCYVOKYULJ-YHYXMXQVSA-N	284.227	2.981	50	40	CFGB	
C[C@@H](I)C(=O)Nc1ccccc1F	72226316	PFSODJRWWKVHEN-ZCFIWIBFSA-N	293.079	2.588	50	40	CFGB	
I[C@@H]1CC[C@@H]2CCC[C@H]1O2	45069861	KDFURHOVIHNTGV-XLPZGREQSA-N	252.095	2.522	50	40	CFGB	
COc1ccc(CBr)c(OC)c1OC	36894599	WVHAAWUZUFQEQF-UHFFFAOYSA-N	261.115	2.607	50	40	CFGB	in-vitro
CC1(C)CC(=O)C(C#N)=C(Nc2ccc(N)cc2)C1	5250060	VSLNYRDRFQGMTC-UHFFFAOYSA-N	255.321	2.847	50	40	CFGB	
O=C(NCCCl)Nc1ccc(Cl)c([N+](=O)[O-])c1	3226328	HBQKQAMCEOPGJR-UHFFFAOYSA-N	278.095	2.609	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2\C[C@H]3CC[C@H]2C3)c1O	107396068	RNHVRARFPRPHMP-LYQCPJKTSA-N	258.321	2.606	50	40	CFGB	
Cc1nn(C)cc1/C=N\NC(=O)c1ccc(C(C)(C)C)cc1	17024606	CKXYNZSCACAPSQ-ZDLGFXPLSA-N	298.390	2.790	50	40	CFGB	
COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1	408721533	SFTZYWVDOBWCSC-WVRRQVMNSA-N	286.375	2.972	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(N)=S)cc1Br	408544213	UEMVELXHNOQMPQ-XBXARRHUSA-N	297.177	2.651	50	40	CFGB	
N#C/C(=C\c1ccc[nH]1)C(=O)Nc1ccc(F)cc1	32561911	CVYRKRGMWCNHAM-CSKARUKUSA-N	255.252	2.699	50	40	CFGB	
COc1ccc(CC[C@]2(C)OC[C@H](CCl)O2)cc1	1677870	ZSAZCHBDTHJWNU-UONOGXRCSA-N	270.756	2.998	50	40	CFGB	
N#C/C(=C/c1ccc(-n2cncn2)cc1)c1ccccn1	58583006	YPGPGDKHFLXTBQ-ZROIWOOFSA-N	273.299	2.726	50	40	CFGB	
Cc1cc(C(=O)N/N=C/c2ccc3ccccc3c2)[nH]n1	18136617	XGNHLYOVVDBFNG-LICLKQGHSA-N	278.315	2.635	50	40	CFGB	
COC(=O)[C@H](Br)c1ccc(F)c(C)c1	82569927	QWUVVGRLAFJMPM-SECBINFHSA-N	261.090	2.743	50	40	CFGB	
N#C/C(=C\c1ccccc1O)C(=O)NC1CCCCC1	5771202	WGNKWHYHCVVMFU-JLHYYAGUSA-N	270.332	2.748	50	40	CFGB	
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)CCl	375993	VEWGKEGFPHUGSB-UHFFFAOYSA-N	295.745	2.865	50	40	CFGB	
Cc1cccc(C(=O)N/N=C/c2ccc(C#N)cc2)c1	498293	VJLOYLAPQHGOJG-WOJGMQOQSA-N	263.300	2.631	50	40	CFGB	
N#C/C(=C\c1ccc[nH]1)C(=O)N1CCc2ccccc21	2436333	LWENQTVWEDYSGO-JLHYYAGUSA-N	263.300	2.511	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C/c1ccccc1Br	3570624	ABNUATPBKYJNTQ-YRNVUSSQSA-N	293.164	2.881	50	40	CFGB	
O=C(CCl)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	17252702	KBZPTVSUESVUOX-UHFFFAOYSA-N	297.723	2.896	50	40	CFGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2C)c1	192548118	FDECBEAMTZSNGM-RAXLEYEMSA-N	265.316	2.879	50	40	CFGB	
C/C(=N\NC(=O)CNc1ccccc1)c1cccs1	7009098	NZYWOGDDQSNXOO-LFIBNONCSA-N	273.361	2.700	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccccc1O	101943093	YROODODFINNAQU-LICLKQGHSA-N	272.279	2.685	50	40	CFGB	
CO[C@@H](C(=O)N/N=C(\C)c1ccccc1)c1ccccc1	20248213	JDQYLVKFBDIDPV-APVMCDBPSA-N	282.343	2.915	50	40	CFGB	
N#C/C(=C/c1ccco1)C(=O)Nc1ccc2c(c1)OCCO2	96669612	LGXVAPWAXZVILR-FLIBITNWSA-N	296.282	2.596	50	40	CFGB	
CC1(C)Cc2ncccc2C(=O)[C@@H]1Br	72207404	OBHCFFRQOCCFPB-JTQLQIEISA-N	254.127	2.610	50	40	CFGB	
Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)(C)C(=O)NN	223208025	LIJIXCVVXFMTBV-LBPRGKRZSA-N	289.423	2.856	50	40	CFGB	
N#C[C@@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br	95890240	DEEVDUKZMAWCQE-REWJHTLYSA-N	291.192	2.794	50	40	CFGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(N)=O	117205	SIAMCDIHXZUXRD-GDNBJRDFSA-N	278.311	2.658	50	40	CFGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1	13110366	KSEMQYWKFQVZIB-UVTDQMKNSA-N	295.342	2.569	50	40	CFGB	
O=C(O)Cc1ccc(N(CCCl)CCCl)cc1	2565487	RQAFMLCWWGDNLI-UHFFFAOYSA-N	276.163	2.598	50	40	CFGB	in-vitro
CC1=CCOC[C@H]1N(C(=O)CCl)c1ccc(C)cc1	549817	JCNCXNHBAKMPOV-CQSZACIVSA-N	279.767	2.912	50	40	CFGB	
Cc1nc(Cl)c(CBr)c(Cl)n1	1672145	QWXHEBBKNUXONN-UHFFFAOYSA-N	255.930	2.987	50	40	CFGB	
Br[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1Br	1700463	IZDDPSZQOJBKGK-RNGGSSJXSA-N	253.965	2.943	50	40	CFGB	
C[C@@H](Cl)C(=O)N(C)CCOc1ccc(Cl)cc1	12505692	RUAKVJUANQEEFS-SECBINFHSA-N	276.163	2.805	50	40	CFGB	in-vitro
CO[C@@H](C(=O)N/N=C/c1ccccc1)c1ccccc1	13943788	GJUSHBYTYQJTMV-YHZJOHHESA-N	268.316	2.524	50	40	CFGB	
O=C(CCc1ccccc1)NNc1ccccc1[N+](=O)[O-]	9364225	PAFDJSHRITVMRB-UHFFFAOYSA-N	285.303	2.671	50	40	CFGB	
O=C(CCl)N1c2ccccc2NC(=O)C12CCCC2	8074994	BTIMCYNWXHLWGI-UHFFFAOYSA-N	278.739	2.523	50	40	CFGB	
N#C/C(=C/C=C(\Cl)c1ccc(Cl)cc1)C(N)=O	161744	QOQMSTNLZICRRC-MVCJUDCXSA-N	267.115	2.855	50	40	CFGB	
CC1(C)Oc2ccc(C#N)cc2[C@H](O)[C@@H]1Br	161263	PKZZJLKUYUVLMJ-QWRGUYRKSA-N	282.137	2.526	50	40	CFGB	
O=C(NNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1	568814	CUKRLACREJUPAW-UHFFFAOYSA-N	292.697	2.554	50	40	CFGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	57594292	KYWNYDAUQLQEQP-LDADJPATSA-N	296.326	2.721	50	40	CFGB	
CCCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1	14040322	QRFTWKWECWTXFG-UHFFFAOYSA-N	282.771	2.610	50	40	CFGB	
COc1cccc2cc(C(=O)N/N=C/c3cccn3C)oc12	4703683	QMLBNEKGZNPMAL-LICLKQGHSA-N	297.314	2.544	50	40	CFGB	
Cc1ccccc1OCC(=O)N/N=C/c1sccc1C	584835	UYZMXOGDPINULJ-CXUHLZMHSA-N	288.372	2.894	50	40	CFGB	
FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@@H]3[C@@H]([C@H]2Cl)N31	100114773	KTZIHWKLLROSMN-SHSKGQOXSA-N	265.584	2.544	50	40	CFGB	
O=C(COc1ccccc1)N/N=C1/CCCc2ccccc21	34107851	XIAJHTOQIUFRSP-ZPHPHTNESA-N	294.354	2.922	50	40	CFGB	
COc1ccc(/C(C)=N\NC(=O)Cc2cccs2)cc1	33326133	GNRONNDZSIBMII-WJDWOHSUSA-N	288.372	2.840	50	40	CFGB	
O=C(CBr)c1c[nH]c2ccc(F)cc12	82643963	RWTPHASAUUYPFS-UHFFFAOYSA-N	256.074	2.885	50	40	CFGB	
CCC(CC)=NNC(=O)c1cc(-c2ccccc2)n[nH]1	5268637	FMTQTAGLZHIHMV-UHFFFAOYSA-N	270.336	2.983	50	40	CFGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2)n1	567977	MYAWKDARVDMJHI-GXDHUFHOSA-N	263.300	2.936	50	40	CFGB	
Cc1cc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)c(C)o1	102832510	FMQJFUAHNVQZIB-WJDWOHSUSA-N	276.336	2.761	50	40	CFGB	
COc1cc(N2CCCC2)c(OC)cc1C=C(C#N)C#N	798112	VDZIZJSJGBHJDN-UHFFFAOYSA-N	283.331	2.735	50	40	CFGB	
O=S(=O)(c1ccc(CBr)cc1)C(F)F	12504957	OVBMBMKLODKZGR-UHFFFAOYSA-N	285.109	2.578	50	40	CFGB	
CC(C)C(=O)Nc1ccc(NC=C(C#N)C#N)cc1	2543509	GHFRHJKYFJWCGJ-UHFFFAOYSA-N	254.293	2.624	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2)c(C)c1	20194410	LCRHCIXUKIQQOT-LDADJPATSA-N	266.344	2.996	50	40	CFGB	
CC1(C)Oc2ccccc2C(=O)[C@H]1Br	4610811	ZOMRTKQASGRNSL-SNVBAGLBSA-N	255.111	2.804	50	40	CFGB	
O=C(NNc1ncc(Cl)cn1)c1ccccc1Cl	72427703	UFXVPFSTCSPVQA-UHFFFAOYSA-N	283.118	2.540	50	40	CFGB	
O=C(CCc1ccccc1)NNC(=O)CC1CCCCC1	39352869	SFGNHXQXVCJRGK-UHFFFAOYSA-N	288.391	2.737	50	40	CFGB	
C/C(=N\NC(=O)c1ccncc1)c1cc2ccccc2o1	12587731	NCTKAQLAFDHVEB-WOJGMQOQSA-N	279.299	2.982	50	40	CFGB	
N#C/C(=C\c1ccc(Cl)cc1)c1n[nH]c(N)c1C#N	5387467	FGDJISSHTYYSLQ-WEVVVXLNSA-N	269.695	2.581	50	40	CFGB	
O=C1OC(=O)c2ccc(N3CCCC3)c3cccc1c23	102828121	HWGRESFGIPRVGG-UHFFFAOYSA-N	267.284	2.751	50	40	CFGB	
N#CC(C#N)=Cc1ccc(NC(=O)c2cccnc2)cc1	3179072	JFMLBDYWQCZXNR-UHFFFAOYSA-N	274.283	2.764	50	40	CFGB	
CCCCC(=O)C1C(=O)[C@H](Cl)C(C)(C)[C@@H](Cl)C1=O	102969163	UKAAYCSISHDROO-RYUDHWBXSA-N	293.190	2.755	50	40	CFGB	
CC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C[C@H]3C=C[C@H]2C3)cc1	101757078	RNUGHKFUMQCWGJ-WMJIUXKQSA-N	297.358	2.573	50	40	CFGB	
Cc1cc(NC(=O)CCl)ccc1N1CCCC1	3888996	HZSUYRXGPWHFMD-UHFFFAOYSA-N	252.745	2.773	50	40	CFGB	
O=C(NNc1ccccc1)Nc1cccc(-c2nnco2)c1	96999336	ISYNWOVCZURGCW-UHFFFAOYSA-N	295.302	2.885	50	40	CFGB	
Cc1cc(Cl)ccc1-n1nc(C)c(C(=O)Cl)n1	45954248	XSGLVDSOPFILJT-UHFFFAOYSA-N	270.119	2.917	50	40	CFGB	
O=C1c2cc(Br)ccc2O[C@H]1Br	98210838	YZKZJKSZDMKFLV-MRVPVSSYSA-N	291.926	2.745	50	40	CFGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1CCCCC1	223045	PDISCCZXJHEVPL-UHFFFAOYSA-N	275.308	2.574	50	40	CFGB	
COC(CP(c1ccccc1)c1ccccc1)OC	1719735	UOHLNFHWHICOPG-UHFFFAOYSA-N	274.300	2.738	50	40	CFGB	
CC(C)C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	3161184	JHAGROUYZRVOJH-UHFFFAOYSA-N	290.150	2.802	50	40	CFGB	
O=S(=O)(CCCCl)c1nc2ccccc2s1	1786828	HTKIHQWQBNERHR-UHFFFAOYSA-N	275.782	2.699	50	40	CFGB	
CC(C)[C@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N	19853042	IPBJODKCMRZNDM-JSGCOSHPSA-N	266.348	2.769	50	40	CFGB	
ClCc1nnnn1-c1ccc(Cl)cc1Cl	11757534	ORBRSNKXDSEUSN-UHFFFAOYSA-N	263.515	2.708	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2)cc1[N+](=O)[O-]	5618286	ZOVVCZIQTSBQBZ-MHWRWJLKSA-N	283.287	2.667	50	40	CFGB	
COc1ccc(COC(=O)NN=C2CCCC2)cc1	5720494	VRMSXULCHDPHIZ-UHFFFAOYSA-N	262.309	2.851	50	40	CFGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccco2)cc1	59473237	KYUQTOVYYDWMSC-CXUHLZMHSA-N	288.372	2.972	50	40	CFGB	
CCCN1CCC(=NNC(=O)c2csc(C)c2C)CC1	55048391	XAESAMZVQNGAPP-UHFFFAOYSA-N	293.436	2.957	50	40	CFGB	
COC(=O)[C@@H]1[C@@H]2CC[C@@]1(C)[C@@]2(C)CBr	218262632	CDSWKWSLJZFMRL-HLFFCZDVSA-N	261.159	2.607	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)cc1	46705543	MAKCFRLBSOVTOS-VSXLWIIGSA-N	258.321	2.517	50	40	CFGB	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccncc1	5381618	PLCBDGQAMBYUOW-LNKBOXHWSA-N	279.343	2.726	50	40	CFGB	
Cc1cc(C(F)F)nn1CC(=O)N/N=C1/CCC[C@@H](C)C1	6787356	GYMHUZZPQXWDCQ-IYKHAPDZSA-N	298.337	2.811	50	40	CFGB	
CS(=O)(=O)/C(C#N)=C\c1ccc2ccccc2c1	96765751	AMXNQGPWUMVOKW-ZROIWOOFSA-N	257.314	2.749	50	40	CFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)[C@H]1C[C@@H]1c1ccccc1	5684899	YHEIMBVHBHKWFQ-ZHDUVTNZSA-N	266.344	2.858	50	40	CFGB	
NC(=O)N/N=C(/c1ccccc1)c1ccc2c(c1)CCCC2	5772233	SKLCKNZCKLRPPH-JZJYNLBNSA-N	293.370	2.986	50	40	CFGB	
C[C@@H]1[C@H]2C[C@H](C/C2=N\NC(=O)c2ccncc2)C1(C)C	13763943	IOTDVNRGAXIZDI-XANXBWQNSA-N	271.364	2.870	50	40	CFGB	
Cc1cc(C)nc(NNC(=O)CCC2CCCC2)n1	22701273	JFLJQJWYESYRRD-UHFFFAOYSA-N	262.357	2.507	50	40	CFGB	
Cl[C@H](Br)[C@H](Cl)Br	100022305	RJMDFMUPJANPGX-LWMBPPNESA-N	256.752	2.906	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C/c2cccs2)cc1	5475503	PYMWTBRUNVRUJS-XNTDXEJSSA-N	274.345	2.911	50	40	CFGB	
CC(C)c1ccc(OCC(=O)N/N=C/c2ccco2)cc1	4070226	VQBRSSKXXOASRX-LICLKQGHSA-N	286.331	2.932	50	40	CFGB	
O=C(N/N=C1/CCCc2ccccc21)c1ccco1	102204823	UATIFJGQKWARFL-SSZFMOIBSA-N	254.289	2.750	50	40	CFGB	
CC(C)=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	243908	TVDPYMGJNUKNFP-SNVBAGLBSA-N	268.744	2.928	50	40	CFGB	
CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O1	1471607	ZMMAYQUHHQYAOK-AWEZNQCLSA-N	298.342	2.640	50	40	CFGB	
O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccccc1	59138188	RZMJDOGVCFSNHZ-SFQUDFHCSA-N	283.331	2.644	50	40	CFGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)n1	408975974	DGJONVLURGWLNR-MDWZMJQESA-N	296.286	2.656	50	40	CFGB	
Cc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1	4117836	VFAOVSQKTHVMNY-UHFFFAOYSA-N	271.276	2.660	50	40	CFGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(F)cc2)n1	408980123	VGHWQQBINXVXEK-MDWZMJQESA-N	269.279	2.886	50	40	CFGB	
CC/C(=N/NC(=O)c1ccc(C)nc1)c1ccccc1	5633695	UQYYCHHZMIQTNB-SDXDJHTJSA-N	267.332	2.934	50	40	CFGB	
N#C/C(=C/c1ccoc1)C(=O)Nc1ccc2c(c1)OCO2	17008728	GVGGHLFEQFGHSA-WZUFQYTHSA-N	282.255	2.554	50	40	CFGB	
NC(=O)N/N=C\c1ccc2oc3ccccc3c2c1	31719577	VUUIHFWBLSMELY-PXNMLYILSA-N	253.261	2.588	50	40	CFGB	
CCOC(=O)[C@H](Br)CCc1ccccc1	36406873	ZLZXSWNRZFMSSS-LLVKDONJSA-N	271.154	2.946	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C2\C[C@H]3C=CC[C@H]23)c1	8182633	QYTSNTXESMKIDG-ABPMUZLRSA-N	284.359	2.750	50	40	CFGB	
CC1CCN(C(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)CC1	27025215	PKJDQIKZFCPSOW-ZSOIEALJSA-N	298.342	2.581	50	40	CFGB	
C[C@H](Oc1ccccc1)C(=O)N/N=C/c1cccs1	93782	VVDWJARQHBZOGZ-KBVGCWLLSA-N	274.345	2.666	50	40	CFGB	
O=C(Cl)c1ccc(C(=O)Cl)c(C(=O)Cl)c1	100073466	CJPIDIRJSIUWRJ-UHFFFAOYSA-N	265.479	2.824	50	40	CFGB	
Cc1ccccc1NC(=O)NNC(=O)CC1CCCC1	48823992	YYVQKDWNBDTABF-UHFFFAOYSA-N	275.352	2.728	50	40	CFGB	
Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1ccco1	408959600	BTGXSXKLGAJTIU-PDGQHHTCSA-N	297.358	2.952	50	40	CFGB	
COc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1OC	33329811	JLPGQGUNLHGYPL-WQRHYEAKSA-N	298.342	2.776	50	40	CFGB	
Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)(C)C(=O)NN	223208085	LIJIXCVVXFMTBV-GFCCVEGCSA-N	289.423	2.856	50	40	CFGB	
O=C(NNc1ccccc1)c1cnn(Cc2ccccc2)c1	96956419	AFBINVBATWSDRU-UHFFFAOYSA-N	292.342	2.688	50	40	CFGB	
ClC[C@H]1CS[C@H](c2ccc3c(c2)OCO3)O1	1766740	JJKURWROWFPDRT-GZMMTYOYSA-N	258.726	2.785	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1	37858813	XPCHBNKLEGFLOT-JLHYYAGUSA-N	279.299	2.636	50	40	CFGB	
C[C@H](Br)C(=O)N(C)c1ccc(F)cc1	65335487	HMBOPZTWTLUXDP-ZETCQYMHSA-N	260.106	2.572	50	40	CFGB	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)C(=O)O	8220450	ISILNAQLHCSLLI-YRNVUSSQSA-N	285.278	2.620	50	40	CFGB	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)s2)c(C)o1	8346441	ZXMVEHKQJSHDQG-UHFFFAOYSA-N	298.751	2.686	50	40	CFGB	
CCOC(=O)c1sc2[nH]c(=O)cc(CCl)c2c1C	9738213	NHTHHQGYRVVXKD-UHFFFAOYSA-N	285.752	2.814	50	40	CFGB	
NNC(=O)c1ccc(OCc2ccccc2)c(Cl)c1	196402225	BRLJVYABNPAHBO-UHFFFAOYSA-N	276.723	2.523	50	40	CFGB	
O=C1c2ccc(Br)cc2O[C@@H]1Br	98210839	OUJKMWLCBFHRMP-QMMMGPOBSA-N	291.926	2.745	50	40	CFGB	
CCCCOCCOC(=O)[C@H](Br)CC	5552890	HIANBVZTIHWZGQ-SECBINFHSA-N	267.163	2.520	50	40	CFGB	
CC(C)C(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1	40549617	ZZUPDHLHTCSHDN-PTNGSMBKSA-N	284.359	2.655	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(F)cc1	580549	KJUUQJVCLRNXCW-GZTJUZNOSA-N	256.280	2.519	50	40	CFGB	
CC1(C)[C@H]2CC=C(/C=N/NC(=O)c3cccnc3)[C@@H]1C2	7737287	LORHZZVWZDYJHW-JXIDHOQNSA-N	269.348	2.790	50	40	CFGB	
CC(C)Oc1ccc(CC(=O)N/N=C\c2cccnc2)cc1	26504798	DMGCODKBZRRELA-UNOMPAQXSA-N	297.358	2.562	50	40	CFGB	
Cc1cc(NC(=O)NNc2ccccc2Cl)no1	12820891	LLUALLDWQKNTLZ-UHFFFAOYSA-N	266.688	2.785	50	40	CFGB	
CCC(C)(C)NC(=O)[C@@H](Br)C(C)C	19441754	PWUHPOWMNGWAGF-QMMMGPOBSA-N	250.180	2.711	50	40	CFGB	in-vitro
C[C@@H](Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	4207068	RIVSJAATNOYXMI-ZCFIWIBFSA-N	253.645	2.945	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2F)cc1	5621188	VXOBRKCGINKSAL-WOJGMQOQSA-N	286.306	2.988	50	40	CFGB	
C/C(=N/NC(=O)Cc1cccn1C)c1ccccc1Cl	4889353	TTWJCCKPTYVSKI-BOPFTXTBSA-N	289.766	2.761	50	40	CFGB	
CC[C@H](C)Oc1ccc(/C=N/NC(N)=O)cc1Cl	409017809	VWNGVQZMPFAOKT-CUXJQWCSSA-N	269.732	2.520	50	40	CFGB	
COC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccco2)c1	11990406	HNWVBXMCLIDERQ-XYOKQWHBSA-N	297.266	2.579	50	40	CFGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C1CC1	5678681	PZGPFQUASZIGSN-FRKPEAEDSA-N	256.227	2.566	50	40	CFGB	
O=NN(CCCl)C(=O)Nc1ccc(F)cc1F	5080401	JGTLNHIZEAOTJG-UHFFFAOYSA-N	263.631	2.719	50	40	CFGB	
CC(C)CNP(=O)(NCC(C)C)NCC(C)C	68569531	WEGIHSDBKDJFOF-UHFFFAOYSA-N	263.366	2.831	50	40	CFGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccccc2N)c1	408591902	WDGVKYCXVBLULS-XDHOZWIPSA-N	295.342	2.598	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(O)cc1	5381813	BABKNTJXNXYNCU-LICLKQGHSA-N	272.279	2.685	50	40	CFGB	
CN1CCC(=NNC(=O)c2csc3ccccc23)CC1	55082632	JEHPWHUUNVGCLF-UHFFFAOYSA-N	287.388	2.713	50	40	CFGB	
CC(=O)Nc1ccc(NC(=O)[C@H](C)Cl)cc1C	319787	KRKFRBLGCWXUFP-QMMMGPOBSA-N	254.717	2.519	50	40	CFGB	
O=C(N/N=C/c1ccco1)c1cc2ccccc2cc1O	567036	WVKYESZBXQTBOW-LICLKQGHSA-N	280.283	2.902	50	40	CFGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1	5214583	HHNYCBKYUXGGCC-CSKARUKUSA-N	283.243	2.733	50	40	CFGB	
CO[C@H]1C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br	33414715	IYPLSDZKBBXDCH-FQUUOJAGSA-N	296.208	2.669	50	40	CFGB	
CO[C@@]12CCCC[C@@]1(C)C(C#N)(C#N)C(C#N)=C(Cl)N2	35323791	CDRJQCYJRGLIRI-JSGCOSHPSA-N	290.754	2.520	50	40	CFGB	
CC(C)(C)OC(=O)NNC(=O)c1sccc1C1CC1	67126408	GXKBFZHPBIKIFA-UHFFFAOYSA-N	282.365	2.795	50	40	CFGB	
O=C(N/N=C/C1=CCCCC1)c1cccc([N+](=O)[O-])c1	11613913	JKVJAYBSSUHXFE-XNTDXEJSSA-N	273.292	2.811	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1[N+](=O)[O-]	102591861	CFPPWGPKIMBLIM-CBYOKJCSSA-N	287.319	2.747	50	40	CFGB	
CCCC/C(C)=N/NC(=O)C(=O)Nc1ccc(C)cc1	4117775	IKLIZIAHDCPSDJ-SFQUDFHCSA-N	275.352	2.616	50	40	CFGB	
Cc1csc(/C(C#N)=C/Nc2sccc2C(N)=O)n1	7697952	KFRWWFYVAZKQIO-VMPITWQZSA-N	290.373	2.589	50	40	CFGB	
Cc1ccc(Cl)cc1N1C[C@H](C(=O)Cl)CC1=O	45952533	WIMHZILNCLHKCG-MRVPVSSYSA-N	272.131	2.767	50	40	CFGB	
CC(C)C(=O)N/N=C\c1ccccc1C(F)(F)F	83259617	UZFKTGBTTQQYDW-APSNUPSMSA-N	258.243	2.812	50	40	CFGB	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc2c(c1)OCO2	12855686	GWIBXULMGOBDGK-WDZFZDKYSA-N	257.289	2.937	50	40	CFGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccc2c(c1)OCO2	17008731	WRDMHXDDRYRYEC-UXBLZVDNSA-N	282.255	2.554	50	40	CFGB	
Cc1ccc(N[C@H](C)C(=O)N/N=C/c2ccc(O)cc2)cc1	2747355	LUXALYKHXJRBII-VBEHJTROSA-N	297.358	2.651	50	40	CFGB	
N#CC1=C2CCCC[C@H]2[C@H](c2ccco2)C(C#N)(C#N)C1=O	28104	COJLHLOWBGORHD-IUODEOHRSA-N	291.310	2.990	50	40	CFGB	
CCOP(=O)(OCC)/C(C#N)=C/c1nc[nH]c1C	16958741	RNZFYCQICSJXAD-UXBLZVDNSA-N	269.241	2.849	50	40	CFGB	
O=C(CCC1CCCC1)NNC(=O)c1ccc(F)cc1	505673	GORMLQIUBYYKQV-UHFFFAOYSA-N	278.327	2.557	50	40	CFGB	
CN(C)C[C@@]1(C)CC(=O)[C@H](Br)C(C)(C)C1	1675341	MBSOHHNBDYTCPS-JQWIXIFHSA-N	276.218	2.707	50	40	CFGB	
COc1cc(OC)cc(C(=O)N/N=C(\C)c2ccccc2)c1	6685687	XQPLXAWBGZLGBV-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
Cc1ncsc1/C=C(\C#N)C(=O)NCCc1ccccc1	98013808	CUCKNLMGQBWMLT-NTEUORMPSA-N	297.383	2.717	50	40	CFGB	
NC(=O)N/N=C/c1ccc(-c2ccccc2Cl)o1	4866476	VIHWNPSAAVIVJJ-VIZOYTHASA-N	263.684	2.602	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)OC(C)(C)C)c(OC)c1	20756022	LXTGGMXITDBOEZ-MHWRWJLKSA-N	294.351	2.953	50	40	CFGB	
O=C(COc1ccccc1)N/N=C\c1ccc(Cl)cc1	33329293	FATRRRUQHAGSLY-YVLHZVERSA-N	288.734	2.869	50	40	CFGB	
O=c1[nH]c(CCl)nc2c1[C@@H]1CCCC[C@@H]1S2	71981131	YNHOYFMCCWIJNK-RQJHMYQMSA-N	256.758	2.641	50	40	CFGB	
COc1cc(/C(C)=N\NC(=O)c2cccs2)ccc1O	232530	HHADKUXEIWHBED-DHDCSXOGSA-N	290.344	2.616	50	40	CFGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NC1CCCCC1	1450787	CHRXUNZMXQZKBM-MDWZMJQESA-N	298.342	2.771	50	40	CFGB	
C=C(C)COc1ccc(NC(=O)CBr)cc1	35605119	VDGFQIBHXQXXGI-UHFFFAOYSA-N	284.153	2.975	50	40	CFGB	
Cc1ccccc1Cc1noc(CN2CC=C(C#N)CC2)n1	95452641	AGZNZEAIXSKTDQ-UHFFFAOYSA-N	294.358	2.625	50	40	CFGB	
O=C(CCBr)N1CCCc2ccccc21	41706425	SRTKSDKFSMHWQV-UHFFFAOYSA-N	268.154	2.751	50	40	CFGB	
N#C/C(=C\c1ccco1)S(=O)(=O)c1ccccc1	574623	YWXDPDDOBFAFNR-UKTHLTGXSA-N	259.286	2.618	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CCc2ccccc2)o1	498349	VQILQBQFWNBDMF-LFIBNONCSA-N	256.305	2.671	50	40	CFGB	
Nc1ccc(C(=O)N/N=C2\CCCc3ccccc32)cc1	12572120	CSLAYFMSIOJKOV-KNTRCKAVSA-N	279.343	2.739	50	40	CFGB	
O=C(Cc1cccs1)N/N=C\C=C\c1ccco1	13576020	HTQHGHNAJKTWPN-IHRVKPHJSA-N	260.318	2.699	50	40	CFGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc[nH]1	15934544	KSIUNFLHQAUSED-FMIVXFBMSA-N	251.289	2.869	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2	100335327	SETCSWXEUHFLEF-SAOSEEMUSA-N	260.381	2.961	50	40	CFGB	
O=C(CCl)c1ccc(I)cc1	3457842	LJKQIBWZNUCGSG-UHFFFAOYSA-N	280.492	2.713	50	40	CFGB	
CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C	3887365	JVNGIXTYBDQIED-SSDOTTSWSA-N	257.717	2.618	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/[C@H]2CC=CCC2)cc1	6127799	JUDICHKLYLWLQO-IQGJIOQQSA-N	272.348	2.696	50	40	CFGB	
C[C@H](Oc1ccccc1)C(=O)N/N=C\c1cccs1	5044228	VVDWJARQHBZOGZ-SAIXKJTDSA-N	274.345	2.666	50	40	CFGB	
C=CCOc1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1	2657093	BEAKVVANAKDKKU-LDADJPATSA-N	296.326	2.721	50	40	CFGB	
CCOC(=O)N/N=C(\CC)c1ccc(OC)c(OC)c1	21555200	ZBACNNBLYVNMKW-RVDMUPIBSA-N	280.324	2.564	50	40	CFGB	
N#C/C(=C/c1ccsc1)C(=O)Nc1nccs1	3321298	IWTHXKKWDAYNQF-UITAMQMPSA-N	261.331	2.750	50	40	CFGB	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccnc1	5494625	AFTLNAQILZSRJQ-JSUXISIESA-N	279.343	2.726	50	40	CFGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1	65999545	COMCMNASXBQHKJ-QINSGFPZSA-N	294.354	2.664	50	40	CFGB	
NC(=O)N/N=C\c1cccc2c(Br)cccc12	33368460	OTNGJJRIIKJRHD-CHHVJCJISA-N	292.136	2.605	50	40	CFGB	
c1ccc(P(C[C@H]2CCCN2)c2ccccc2)cc1	100005709	IWRBGJKCDORZHK-OAHLLOKOSA-N	269.328	2.871	50	40	CFGB	
CCOC(=O)/C(C#N)=C(/Nc1ccccc1)SC	100683689	SXJJUZCQEIWUAO-QXMHVHEDSA-N	262.334	2.760	50	40	CFGB	
CCC[C@H](C)[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	521760	AQHYFQILVUGFNJ-UFBFGSQYSA-N	274.320	2.554	50	40	CFGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1	8973035	BVMVDAXEFZXPFA-ZDUSSCGKSA-N	298.371	2.658	50	40	CFGB	
C/C(CC(=O)c1ccccc1)=N\NC(=O)c1ccccc1O	100921768	XUMSPXSSAVLVJZ-LDADJPATSA-N	296.326	2.771	50	40	CFGB	
CC(C)[C@@H](Br)C(=O)N1CCc2ccccc21	19483755	FJROJZJTUGYSJT-GFCCVEGCSA-N	282.181	2.995	50	40	CFGB	in-vitro
CCOC(=O)N/N=C(C)\C=C\c1ccccc1F	5315576	GJCFGQDRINLPRY-QCAIBQKMSA-N	250.273	2.961	50	40	CFGB	
Cc1ccccc1NC(=O)NNC(=O)CCc1ccccc1	15934257	FYDRXPHDFCWWAW-UHFFFAOYSA-N	297.358	2.781	50	40	CFGB	
O=C(NNC(=O)C1CCCCC1)c1cccc2cccnc12	9722429	HUBLCPYRPLODAU-UHFFFAOYSA-N	297.358	2.576	50	40	CFGB	
Cc1cc(C)cc(C[C@H](Br)C(=O)O)c1	76306442	SHVYTKLUWMJBIS-JTQLQIEISA-N	257.127	2.694	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(C#N)cc2)cc1C	33711667	BDOFURIIZNXCRC-UDWIEESQSA-N	291.354	2.868	50	40	CFGB	
O=[N+]([O-])c1ccc2oc(CBr)nc2c1	226240844	MDEYHXLUZATOEV-UHFFFAOYSA-N	257.043	2.631	50	40	CFGB	
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)CCl	85210006	JAKDNFBATYIEIE-GFCCVEGCSA-N	297.782	2.930	50	40	CFGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(C)cc2)c1	582089	PACDJYGDEDAHBF-WOJGMQOQSA-N	295.342	2.717	50	40	CFGB	
CCc1ccc(/C(C)=N/NC(=O)[C@@H](O)c2ccccc2)cc1	5125632	BFASFIJJBHCYBZ-AMRJIULGSA-N	296.370	2.823	50	40	CFGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C2/C=CC=CN2C)cc1	104729251	NSYRTDUOXZLKQI-PFONDFGASA-N	286.356	2.519	50	40	CFGB	
CCC1=NN(c2ccccc2)C(=O)[C@H]1Br	100988418	BUOMSISPMUDDPY-JTQLQIEISA-N	267.126	2.563	50	40	CFGB	
Cc1ccsc1/C=N\NC(=O)c1ccc2c(c1)OCO2	13110538	VHBFOLKTZOKSCA-CHHVJCJISA-N	288.328	2.549	50	40	CFGB	
CCOC(=O)/C(C#N)=C/C=C(\C(=C=N)C#N)c1ccccc1	409415803	BGBLKUYOZLDTGV-CUTGRJBWSA-N	291.310	2.782	50	40	CFGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)CC#N	409013552	BGLRQZCBTXKHSB-XDHOZWIPSA-N	295.342	2.992	50	40	CFGB	
N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1ccc(F)cc1	33328045	ORALANZPBXTWST-ZROIWOOFSA-N	296.301	2.754	50	40	CFGB	
Cc1cccc(/C=C(/C#N)C(=O)NC2CCCC2)c1	48405214	MVEJSJXWZBUSLX-UVTDQMKNSA-N	254.333	2.961	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc([N+](=O)[O-])cc1	4117868	KMOSZMOEOSCFRJ-JTVDPWFLSA-N	287.319	2.747	50	40	CFGB	
Cc1cccc(/C=N\NC(=O)c2ccc(F)cc2)c1O	12462946	BZYVKEZMMDMYMB-MFOYZWKCSA-N	272.279	2.604	50	40	CFGB	
C[C@@H](/C=N\NC(=O)COc1ccccc1)c1ccccc1	4724625	YFFCJFAPYAHDEK-HIXWQLQUSA-N	282.343	2.971	50	40	CFGB	
C/C(=N\NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1	4812242	FHCPIHMKNKIQEL-NTEUORMPSA-N	279.296	2.844	50	40	CFGB	
CCc1cccc(C)c1-n1c(C)cc(C(=O)NN)c1C	223708732	MVGYERXKEQRBKI-UHFFFAOYSA-N	271.364	2.568	50	40	CFGB	
C[Si](C)(C)O[Si](C)(C)CCCOC[C@H]1CO1	196107411	OYWALDPIZVWXIM-NSHDSACASA-N	262.498	2.849	50	40	CFGB	
O=C(N/N=C1\CCCc2ccccc21)c1cc(O)ccc1O	17023953	LCFFLBVUWXEEDC-OBGWFSINSA-N	296.326	2.568	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1	5475486	HDJVHTFVRRGHSA-WOJGMQOQSA-N	286.306	2.988	50	40	CFGB	
CCOC(=O)N/N=C/c1c(O)ccc2ccccc12	172005	XXKVYJNRRAEOFY-OQLLNIDSSA-N	258.277	2.625	50	40	CFGB	
Cc1nc2ccccc2nc1CI	1727739	JTVWAQGOEUPFQG-UHFFFAOYSA-N	284.100	2.873	50	40	CFGB	
C[C@]1(Cc2ccccc2)CCCC/C1=N/NC(N)=O	104064360	DVBLNGOZMQFTGF-WIZMWCRPSA-N	259.353	2.834	50	40	CFGB	
O=C/C=C/c1coc2ccc(Br)cc2c1=O	2124223	WRYFHUZZTBWYTL-OWOJBTEDSA-N	279.089	2.768	50	40	CFGB	biogenic
COC(=O)c1cc(Cl)ccc1C(=O)[C@H](C)Cl	309376817	VPSNIMAYSXJBNA-LURJTMIESA-N	261.104	2.937	50	40	CFGB	
CCc1ccc(/C(C)=N\NC(=O)c2ccncc2)cc1	33749424	OEJWUPDVOXBALH-PDGQHHTCSA-N	267.332	2.798	50	40	CFGB	
O=C(N/N=C/c1cccn1-c1ccccc1)c1cccnc1	564002	DNBWSUPGKKMZKV-CPNJWEJPSA-N	290.326	2.636	50	40	CFGB	
C/C(=N/NC(=O)c1ccccc1O)c1ccc(C)cc1	12403870	OQBQUJDMHCRBGO-ATVHPVEESA-N	268.316	2.855	50	40	CFGB	
CC(C)[C@H](NC(=O)CCl)c1ccc2c(c1)OCCO2	8390508	FGDQPBZQAFSOMK-AWEZNQCLSA-N	283.755	2.510	50	40	CFGB	
O[C@@H](CBr)c1ccc(Br)cc1	34486716	ZOCCHBFOKYCUST-QMMMGPOBSA-N	279.959	2.877	50	40	CFGB	
COc1ccc(-c2ccnn2CCCl)cc1OC	96527658	UWJIOESLBFJRFN-UHFFFAOYSA-N	266.728	2.806	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc([N+](=O)[O-])cc1	4117869	KMOSZMOEOSCFRJ-RROSRXPJSA-N	287.319	2.747	50	40	CFGB	
Cc1cc(C)cc(C(=O)NNc2ccccc2[N+](=O)[O-])c1	9498404	LHXNIMVNZCMIOV-UHFFFAOYSA-N	285.303	2.969	50	40	CFGB	
CCOC(=O)c1ccc(NC(=O)CCCCl)cc1	1671452	KCYYQGITAGONAR-UHFFFAOYSA-N	269.728	2.821	50	40	CFGB	
COC(=O)/C(C(=O)CCl)=C(\C)Nc1ccc(C)c(C)c1	105570197	WSOBBCUHWYEHJT-SDNWHVSQSA-N	295.766	2.970	50	40	CFGB	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(Cl)c1	44944716	TXKSUGLQKWXPNI-UHFFFAOYSA-N	269.732	2.539	50	40	CFGB	
COc1ccc2c(c1)CCC1=C2CC[C@]2(C)C(=O)OC(=O)[C@@H]12	104144561	BPDWLNHGMNZBGQ-QAPCUYQASA-N	298.338	2.895	50	40	CFGB	
O=C(CCl)N[C@@H]1CCSc2ccc(F)cc21	37004102	CGSZOTDJZMECRA-SECBINFHSA-N	259.733	2.718	50	40	CFGB	
O=C(N/N=C/c1cccc(Br)c1)C1CCC1	17008463	NROZAIKMYWBAHR-RIYZIHGNSA-N	281.153	2.699	50	40	CFGB	
COc1cccc2cc(C(=O)N/N=C/c3ccco3)oc12	408970669	JXEQDPRRXQHLDQ-CXUHLZMHSA-N	284.271	2.798	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1	5475497	UMZWKQRXZCVKMS-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
O=C(NNC(=O)c1cccc(F)c1)c1ccc(Cl)cc1	568798	NCMVXLPSZALCAA-UHFFFAOYSA-N	292.697	2.554	50	40	CFGB	
CCC(=C(C#N)C#N)c1cc(OC)c(OC)c(OC)c1	1633677	FCEMZEGMFYPZHE-UHFFFAOYSA-N	272.304	2.923	50	40	CFGB	
CCOc1ccc(NC(=O)C(Cl)Cl)c(O)c1	1713225	VQSCRBQXTGLCQI-UHFFFAOYSA-N	264.108	2.533	50	40	CFGB	
C[C@H](Br)C(=O)N[C@@H](C)c1ccccc1	3165500	QYAAFAXOBIYBIR-IUCAKERBSA-N	256.143	2.647	50	40	CFGB	
CO[C@H](C(=O)N/N=C/c1sccc1C)c1ccccc1	58915888	VQVFPGQWSRQBBF-KNGSKEOJSA-N	288.372	2.894	50	40	CFGB	
Cc1cccc(OCC(=O)N/N=C\c2ccccc2O)c1C	9195792	FFONXOGSWWMGNQ-ZDLGFXPLSA-N	298.342	2.538	50	40	CFGB	
CC(=O)Nc1ccccc1C(=O)NN=C1CCCCC1	4013038	KBODCUKKEYVEAE-UHFFFAOYSA-N	273.336	2.695	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)OC(C)(C)C)c1O	4672995	RYRLOEOSVRELBT-RIYZIHGNSA-N	250.298	2.559	50	40	CFGB	
NNC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1	216737467	QSEXLPJMTYEWPZ-UHFFFAOYSA-N	271.103	2.857	50	40	CFGB	
Cc1ccnc(SSc2nccc(C)n2)n1	39214950	LAWNBZBYKJVMRA-UHFFFAOYSA-N	250.352	2.683	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2c(C)cccc2C(C)=CC1(C)C	223201665	WSAGNRUWUMLOPA-CQSZACIVSA-N	287.407	2.765	50	40	CFGB	
CC(C)[C@H](C(=O)NN)N1c2ccccc2[C@@H](C)CC1(C)C	223213950	AKZTVQZNMKVISV-SWLSCSKDSA-N	289.423	2.793	50	40	CFGB	
COc1cc(-c2noc(C)n2)ccc1CBr	228938427	GQNZMLHFODYSNC-UHFFFAOYSA-N	283.125	2.949	50	40	CFGB	
O=C(N/N=C/c1ccncc1)Nc1cccc(Cl)c1	94010	VMWULKRPENCDJH-CXUHLZMHSA-N	274.711	2.891	50	40	CFGB	
C[C@H]([C@H](O)c1ccccc1)N(C)CCCN=C=S	5920588	NIIILSARNLPUMP-OCCSQVGLSA-N	264.394	2.533	50	40	CFGB	
Cc1nc(C(F)(F)F)ccc1C(=O)CBr	97463400	IBMAOMBOFLOBNP-UHFFFAOYSA-N	282.059	2.986	50	40	CFGB	
N#Cc1ccc(C(=O)N/N=C/c2cccc(F)c2)c(F)c1	408966289	LEJPMCSAFKKCLN-DJKKODMXSA-N	285.253	2.600	50	40	CFGB	
N#C/C(=C\c1cccnc1)C(=O)N1CCc2ccccc21	41074225	XNWCIAVMDGFFCO-XNTDXEJSSA-N	275.311	2.578	50	40	CFGB	
C=C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	195781990	IYEWOPPVIQNFQO-UHFFFAOYSA-N	274.465	2.689	50	40	CFGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1O	566715	NHBPJGFJJQMJLC-JLHYYAGUSA-N	294.310	2.946	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1	6190017	PFFOKGMKGVIPCO-NTEUORMPSA-N	266.300	2.811	50	40	CFGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccccc1O	265901	FGNUJLAFISMVJE-CSKARUKUSA-N	254.245	2.531	50	40	CFGB	
COc1cc(OC)c(C(=O)CCCCl)c(OC)c1	33607005	KXDSHDKQUXYLDB-UHFFFAOYSA-N	272.728	2.914	50	40	CFGB	
C/C(N)=C(\C#N)C(=O)CSc1cc(C)ccc1C	104852698	SNOKGTNGHQJCHT-QXMHVHEDSA-N	260.362	2.721	50	40	CFGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1	8781370	JDWIMRZGRFCVPR-SFQUDFHCSA-N	268.316	2.849	50	40	CFGB	
I[C@H]1CCN(Cc2ccccc2)C1	79436713	XWXLLPYOPPIZGB-NSHDSACASA-N	287.144	2.696	50	40	CFGB	
O=C(CCCCl)c1ccc(C2OCCO2)s1	43210351	VEDPUPYCOZJPSE-UHFFFAOYSA-N	260.742	2.995	50	40	CFGB	
N#CC(C#N)=C1CCN(C(=O)OCc2ccccc2)CC1	499477	VILUUKGWRFDLBG-UHFFFAOYSA-N	281.315	2.763	50	40	CFGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1ccccn1	34702033	MVZHTOBYAFBISV-SSZFMOIBSA-N	291.354	2.982	50	40	CFGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1	12650743	NWOAAYNBCRAOMF-GXDHUFHOSA-N	295.342	2.569	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)ccc2O)cc1	20763735	CSXWNNWAFYRQMR-WOJGMQOQSA-N	298.342	2.863	50	40	CFGB	
CCC/C(C)=N/NC(=O)c1ccc(C)c([N+](=O)[O-])c1	5454966	VZNYJGHEGHQEGU-GXDHUFHOSA-N	263.297	2.809	50	40	CFGB	
NNC(=O)c1cc(Cl)ccc1OCc1cccc(F)c1	226319343	FNRAXVDMONTINK-UHFFFAOYSA-N	294.713	2.662	50	40	CFGB	
Cc1ccc2[nH]c(C(=O)N/N=C/c3ccco3)cc2c1	12345939	KAJCALYHGYSSGA-CXUHLZMHSA-N	267.288	2.833	50	40	CFGB	
COc1ccc(/C=C\C(C)=N\NC(=O)c2ccncc2)cc1	4705979	TUSBBRJQHKILME-MBVPVLJXSA-N	295.342	2.909	50	40	CFGB	
COc1ccccc1OCC(=O)N/N=C(\C)c1ccccc1	4763810	BLSMMUJMVWLVPM-QGOAFFKASA-N	298.342	2.614	50	40	CFGB	
CCCCNP(=O)(N1C[C@@H]1CC)N1C[C@@H]1CC	104373120	BNYKFJHKVHYOIL-RZTSDLSZSA-N	259.334	2.673	50	40	CFGB	
O=CC1=CC[C@H]2c3[nH]c4ccccc4c3CCN2C1	31841815	WTPHUAMSGFPUII-HNNXBMFYSA-N	252.317	2.596	50	40	CFGB	
COC(=O)c1ccccc1C(=O)C(C)(C)CCl	575362395	KCETXBNRMCLUFB-UHFFFAOYSA-N	254.713	2.921	50	40	CFGB	
CCCCOC(=O)/C(C#N)=C/c1ccc(OC)cc1	3157412	PGRLFBYXLRKNGF-JLHYYAGUSA-N	259.305	2.945	50	40	CFGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)Nc1ccccc1	8111058	ZUUSSEUEKDYOSI-MHWRWJLKSA-N	283.287	2.540	50	40	CFGB	
O=C(N/N=C\c1ccccc1F)c1ccc(F)cc1	33299693	FCTDIAIOIJHCIL-MFOYZWKCSA-N	260.243	2.729	50	40	CFGB	
CC1(C)[C@@H]2CC[C@@]1(CI)C(=O)C2	4228139	KQYSDWDPNRZEJA-GMSGAONNSA-N	278.133	2.817	50	40	CFGB	
COc1ccc(/C(C)=N\NC(=O)c2cccc(F)c2)cc1	4695622	YZCBZLDQOOJBBK-WQRHYEAKSA-N	286.306	2.988	50	40	CFGB	
O=C(CNC1CCCCC1)N/N=C/c1c[nH]c2ccccc12	409386510	LZPNJAXPMQLSGE-RGVLZGJSSA-N	298.390	2.540	50	40	CFGB	
CCO[Si](CCc1ccncc1)(OCC)OCC	216002141	MMZPUXVBQAQQDQ-UHFFFAOYSA-N	269.417	2.673	50	40	CFGB	
CCNC(=O)N/N=C(\C)c1sc(C(C)(C)C)nc1C	95955635	XEXSOZVUCSKMGM-CXUHLZMHSA-N	282.413	2.792	50	40	CFGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccncc1	5069500	XHWYLENSDCBWFE-RUDQYUADSA-N	269.348	2.683	50	40	CFGB	
CO[C@@H](NC(=O)c1ccc(C)cc1)C(Cl)Cl	3160558	XYFQEWJVQKVFCB-LLVKDONJSA-N	262.136	2.501	50	40	CFGB	
C[C@H](Br)[C@H](Br)CBr	100190643	HKTNRDJXZCCMGH-IUYQGCFVSA-N	294.812	2.928	50	40	CFGB	
CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc1	20280784	BCJPDLJPGGMXIB-SECBINFHSA-N	269.728	2.818	50	40	CFGB	in-vitro
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1O	102333116	PEFGCLHCFSXZCW-WSRYFAMYSA-N	290.750	2.973	50	40	CFGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1	510191	KSEMQYWKFQVZIB-GXDHUFHOSA-N	295.342	2.569	50	40	CFGB	
COc1ccc(/C(C)=N\NC(=O)c2ccccc2)cc1OC	23410439	MHSDTUAQEGUKSL-PDGQHHTCSA-N	298.342	2.858	50	40	CFGB	
CCOC(=O)[C@@H]1CC2=C(CCCCC2)C(C#N)=C1N	35193632	PSIBZBLGNNHZLV-GFCCVEGCSA-N	260.337	2.566	50	40	CFGB	
O=C(N/N=C/c1cc2ccccc2[nH]1)c1ccco1	547770	FLODKOWDGLYNNY-OQLLNIDSSA-N	253.261	2.525	50	40	CFGB	
CNC(=O)/C(C#N)=C\c1cccn1-c1ccc(Cl)cc1	16189269	DFJQAVIWXSQJNN-LUAWRHEFSA-N	285.734	2.784	50	40	CFGB	
Cc1ccc(-c2cnoc2NC(=O)CCl)cc1	40478737	CCHMUMWJFDJEAB-UHFFFAOYSA-N	250.685	2.827	50	40	CFGB	
N#CC1=C2SCCCN2C(=O)[C@H](C#N)C12CCCCC2	3246049	DRQOYSSOQHIEDM-NSHDSACASA-N	287.388	2.791	50	40	CFGB	
Br[C@H]1CC[C@H]2O[C@@H]2CC[C@@H]1Br	101042964	FDVJISGFGLBDFP-RULNZFCNSA-N	283.991	2.855	50	40	CFGB	
N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1	28605481	SGOYCINADXVYGR-GXDHUFHOSA-N	292.294	2.930	50	40	CFGB	
Cc1ccccc1/C=N\NC(=O)Cc1ccc(F)cc1	83296327	MRPVOBVIVDTSQE-WQRHYEAKSA-N	270.307	2.827	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)c1cc(C)oc1C	5697636	DLBXHTDEEIBDLB-MHWRWJLKSA-N	272.304	2.756	50	40	CFGB	
O=C(CNc1ccccc1)N/N=C/C=C/c1ccccc1	6297437	RYWNPSOIGCPTLY-CIOYMBLNSA-N	279.343	2.914	50	40	CFGB	
CS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	8923447	PBNQRPWPHWPBHZ-DHZHZOJOSA-N	291.303	2.995	50	40	CFGB	
CC(C)CC(O)(CC(C)C)C(=O)NNc1ccccc1	264366	HZMVSUGUIROKST-UHFFFAOYSA-N	278.396	2.953	50	40	CFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1c[nH]c2ccccc12	1001884	JALLLIKXFDZDCP-DTGMCDEASA-N	265.316	2.850	50	40	CFGB	
C[C@H](Br)[C@@H](Br)CBr	100190649	HKTNRDJXZCCMGH-IMJSIDKUSA-N	294.812	2.928	50	40	CFGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(F)cc2)c1	254024	RFHJQQUNGGTUOI-VCHYOVAHSA-N	299.305	2.548	50	40	CFGB	
Cc1ccc(/C=C(/C#N)S(=O)(=O)c2ccccc2)o1	100143357	CKAGFUNUTOEQFH-ZROIWOOFSA-N	273.313	2.926	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1C)c1ccc(O)cc1O	485404	ODENPQOHLUOZCA-GZTJUZNOSA-N	284.315	2.560	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2	100335324	SETCSWXEUHFLEF-HKRYBGAYSA-N	260.381	2.961	50	40	CFGB	
CC(/C=C/c1ccco1)=N\NC(=O)[C@H](O)c1ccccc1	13496700	BLJMTHHFCRGBKI-RJJYRFPOSA-N	284.315	2.519	50	40	CFGB	
C[C@@H](CNC(=O)CCl)c1nc2ccccc2s1	39947579	KNSSPOLSQDTJGM-QMMMGPOBSA-N	268.769	2.755	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)s1	36224066	FKIMKZXVBYILSG-SXGWCWSVSA-N	276.336	2.888	50	40	CFGB	
Cc1c(C)n(C)c2ccc(NC(=O)CCl)cc12	98063764	DOAXAJZBCCVZAC-UHFFFAOYSA-N	250.729	2.972	50	40	CFGB	
BrCC[C@@H](Br)[C@H]1CCCO1	242750765	ZZSZZAOXIMKHDM-RNFRBKRXSA-N	271.980	2.714	50	40	CFGB	
COc1c(F)cc(C(=O)CBr)cc1F	36533758	OLYLHIPGAFRNAE-UHFFFAOYSA-N	265.053	2.551	50	40	CFGB	
CC(C)c1ccccc1NC(=O)CCNC(=O)[C@@H](C)Cl	15423163	OULCVBBOXRSAKA-LLVKDONJSA-N	296.798	2.882	50	40	CFGB	
CO[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br	253533050	IYPLSDZKBBXDCH-REWJHTLYSA-N	296.208	2.669	50	40	CFGB	
O=C(NNC1=NCCCCC1)Nc1ccc(Cl)cc1	510255	UIYSCFMJFLFHRD-UHFFFAOYSA-N	280.759	2.939	50	40	CFGB	
O=C(N/N=C1/CCCc2ccccc21)c1ccncc1	100231749	GMDKQURESIYJPK-SDXDJHTJSA-N	265.316	2.552	50	40	CFGB	
CCOC(=O)/C(O)=C(/C#N)c1ccnc2ccccc12	104056312	MBECNEFECULVFK-WYMLVPIESA-N	268.272	2.591	50	40	CFGB	
CCOc1cc2c(cc1C=C(C#N)C#N)O[C@@H](C)C2	6209257	KMMFVMVRRKFHNL-JTQLQIEISA-N	254.289	2.839	50	40	CFGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(O)c2)cc1	4722939	IFBGHEBDCSGANJ-LCYFTJDESA-N	294.310	2.946	50	40	CFGB	
Oc1cc(CCl)nc(C2(COC3CCCC3)CC2)n1	217795363	FHLCMLYEQFKGPY-UHFFFAOYSA-N	282.771	2.912	50	40	CFGB	
COc1cc([N+](=O)[O-])ccc1OCCCBr	16196223	BQXOASHXBJOQIQ-UHFFFAOYSA-N	290.113	2.767	50	40	CFGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccccc1)OCO3	40287507	ZJRBNMGKMNDTLD-INIZCTEOSA-N	292.294	2.633	50	40	CFGB	
O=C(N(CCCl)CCCl)C(Cl)(Cl)Cl	1690681	HSJUFMHPSVECPR-UHFFFAOYSA-N	287.401	2.663	50	40	CFGB	
COc1cccc(-c2csc(NC(=O)CCl)n2)c1	6470691	FHLLFUKEQCSCPL-UHFFFAOYSA-N	282.752	2.996	50	40	CFGB	
Cc1cccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1	34701717	YPDHFRHAMNUXIC-BOPFTXTBSA-N	297.314	2.596	50	40	CFGB	
CCCCCCCNC(=O)[C@H](C)Br	104035481	ZNRBXSFOAIZGBY-VIFPVBQESA-N	250.180	2.856	50	40	CFGB	
CC/C(=N\NC(=O)c1cccnc1)c1ccccc1	13965994	NDWJLECOLDSQIR-SAPNQHFASA-N	253.305	2.626	50	40	CFGB	
CC(/C=N/NC(=O)c1cc(O)cc(O)c1)=C\c1ccco1	17009568	AWMXIFVUWUEOFC-KOSHEOARSA-N	286.287	2.510	50	40	CFGB	
Br[C@@H]1[C@@H]2[C@@H]3C[C@@H]1C[N+]32Cc1ccccc1	169799295	XHYJGHLAIHMIPV-RDUIOHGSSA-N	265.174	2.551	50	40	CFGB	
Cc1ccc(C)c(NC(=O)C(=O)NN=C2CCCCC2)c1	59516025	HHUNOKWCARWXNY-UHFFFAOYSA-N	287.363	2.678	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1	13736726	WALBBRAMJZZWJD-FMIVXFBMSA-N	258.321	2.944	50	40	CFGB	
Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)NC1CC1	16990906	PSJLKBGZTZXHMG-FLIBITNWSA-N	265.316	2.662	50	40	CFGB	
CCc1ccc(C[C@H](Br)C(=O)O)cc1	76306460	ILMYGOPMPDKKJC-JTQLQIEISA-N	257.127	2.640	50	40	CFGB	
O=S(=O)(OCCCl)c1ccccc1C(F)(F)F	199759057	AIMADMCIUUCWQL-UHFFFAOYSA-N	288.674	2.650	50	40	CFGB	
O=C(CBr)N[C@H](c1ccccc1)C1CC1	41721671	SAXUIZOGVFAIIO-GFCCVEGCSA-N	268.154	2.649	50	40	CFGB	
N#CC1=C(N)Oc2c(ccc3[nH]ccc23)[C@H]1c1cccnc1	40587748	GCDVZVJOAQJPEM-OAHLLOKOSA-N	288.310	2.781	50	40	CFGB	
CCC[C@H](OC(=O)CCl)[C@H](CC)COC(=O)CCl	1687397	VKJPFWKYQBHZSI-ZJUUUORDSA-N	299.194	2.745	50	40	CFGB	
O=C(OCCCCBr)[C@H]1C[C@@H]2C=C[C@@H]1C2	100930693	LTWJFZJDGXQDID-MXWKQRLJSA-N	273.170	2.917	50	40	CFGB	
CCOC(=O)[C@@H](Br)CCc1ccccc1	21982734	ZLZXSWNRZFMSSS-NSHDSACASA-N	271.154	2.946	50	40	CFGB	
ClCc1cc(-c2ccc3c(c2)OCCO3)on1	40165832	RQTBRPUIOSIKCJ-UHFFFAOYSA-N	251.669	2.852	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)COc2ccccc2Cl)o1	566410	FRDQUBARXMOHBW-LZYBPNLTSA-N	292.722	2.771	50	40	CFGB	
O=C(CCl)NCC1(c2ccccc2)CCCC1	60006	MYVPCHLYMRSBIA-UHFFFAOYSA-N	251.757	2.853	50	40	CFGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(F)cc1	293547	XONWQNOMIISQIZ-OAHLLOKOSA-N	282.274	2.749	50	40	CFGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(N)=O)c1C	59105032	RKAUENDDIKWLDE-VXLYETTFSA-N	298.390	2.967	50	40	CFGB	
C=CCSC1=C(C#N)[C@@H](c2ccc(C)o2)CC(=O)N1	9109597	RQHFGOYDPYINBU-JTQLQIEISA-N	274.345	2.846	50	40	CFGB	
N#C/C(=C\c1cccc(Cl)c1)C(=O)N1CCCC1	23217629	YWSVUPLGTKDUOF-XYOKQWHBSA-N	260.724	2.869	50	40	CFGB	
CCNC(NCC)=C(C#N)c1ccc(C(F)(F)F)cn1	97103263	OCWPWIXJMXQSNI-UHFFFAOYSA-N	284.285	2.512	50	40	CFGB	
CC1(CC(=O)N/N=C\c2ccc(F)cc2)SCCS1	32116886	YAMPUSAMSDVRMG-DHDCSXOGSA-N	298.408	2.862	50	40	CFGB	
O=C1O[C@@H](Br)C(Cl)=C1c1ccccc1	256049790	BLOQZCWHPZELIA-SECBINFHSA-N	273.513	2.914	50	40	CFGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C)o2)cc1	357451	UYYQKZAYELCXDX-LICLKQGHSA-N	299.330	2.700	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)o1	100217842	ZCIIYIQURJMPDZ-AMIBQAJDSA-N	260.337	2.864	50	40	CFGB	
Cc1ccc(O)c(/C=N/NC(=O)c2cccs2)c1	4132741	UKLUAPJTBHJULR-RIYZIHGNSA-N	260.318	2.526	50	40	CFGB	
C[C@@]12CC[C@@H](C[C@H]1O)[C@@]2(C)CI	245204277	MBRHUYLTVIYBIZ-SGIHWFKDSA-N	280.149	2.609	50	40	CFGB	
CN(C)C(=O)/C(C#N)=C/c1ccc(N2CCCCCC2)o1	37489	HUQWXDZHWPUEEM-ACCUITESSA-N	287.363	2.655	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1c(Cl)nc2sccn12	166570	ZFKFCPJDZOKTGP-FNORWQNLSA-N	281.724	2.519	50	40	CFGB	
O=C(N/N=C\C=C\c1ccccc1)c1ccncc1	15986561	IZMVXNJRIXIGGM-GAGKHWTPSA-N	251.289	2.511	50	40	CFGB	
CCCc1[nH]nc2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2	4453458	DDBIFQIHGYOVFO-ZDUSSCGKSA-N	298.321	2.719	50	40	CFGB	
Cc1occc1C(=O)N/N=C/c1cn(C)c2ccccc12	5394166	ODTYCLVNPZIIRT-RQZCQDPDSA-N	281.315	2.844	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1	408967520	QRCDIYGNKDDUNW-VXLYETTFSA-N	281.290	2.770	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)s1)c1ccco1	564400	LOFHUQYRIUXXFE-WUXMJOGZSA-N	254.698	2.758	50	40	CFGB	
O=C(CCCc1ccc(O)cc1)N/N=C/c1ccccc1O	6258449	BSUOJTYDTGHVRF-LDADJPATSA-N	298.342	2.571	50	40	CFGB	
Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(C)o1	228322	KNKOMASVXMDLMF-OVCLIPMQSA-N	287.275	2.569	50	40	CFGB	
CC1(C)[C@@H]2CC[C@@]1(CI)OC(=O)C2	4137187	MSQROIFTGJCYJT-XCBNKYQSSA-N	294.132	2.543	50	40	CFGB	
CC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C	58928256	XVXXRTSWCINNJJ-RQZCQDPDSA-N	273.311	2.703	50	40	CFGB	
C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc2c(c1)CCCC2	5322432	DDDWXXJDAZNHCB-XDHOZWIPSA-N	296.374	2.751	50	40	CFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccc2ccccc2n1	138963727	YUGDJJZAHFVESW-FNLIHQSHSA-N	277.327	2.917	50	40	CFGB	
COc1cc(F)c(CCBr)c(F)c1	199552819	RDVSGZMMTMRQIL-UHFFFAOYSA-N	251.070	2.911	50	40	CFGB	
CCS(=O)(=O)[C@@H](Cl)C(=O)c1cccc(Cl)c1	96517790	XTYUPUMAADNKRK-SNVBAGLBSA-N	281.160	2.522	50	40	CFGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(C)cc2)c1	581709	GPLROTPAYAHTKA-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
O=C(O)C[C@H](Br)C(=O)c1ccc(Cl)cc1	2149652	IGOYRYSKKLREIH-QMMMGPOBSA-N	291.528	2.761	50	40	CFGB	in-vitro
CC(C)[C@H]1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21	4042587	PROKFSALDCVDPF-VIFPVBQESA-N	260.341	2.533	50	40	CFGB	
CC(C)c1n[nH]c2c1[C@H](c1ccccc1)C(C#N)=C(N)O2	5130214	LSWALYDXSJAXML-GFCCVEGCSA-N	280.331	2.751	50	40	CFGB	
O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1cccnc1	409054763	BKKRWDBXYSXBFA-OKSYWBHRSA-N	285.734	2.899	50	40	CFGB	
COc1c([N+](=O)[O-])ccc(F)c1CBr	97447194	VNJIDHZDBHBWBB-UHFFFAOYSA-N	264.050	2.637	50	40	CFGB	
CC[C@H](Br)C(=O)Nc1cccc([N+](=O)[O-])c1	5336917	SGNRUIOSJLUXKI-VIFPVBQESA-N	287.113	2.707	50	40	CFGB	
CCCC/C(C)=N/NC(=O)COc1ccc(C#N)cc1	6046764	CREWQAWBOXZTHX-SFQUDFHCSA-N	273.336	2.619	50	40	CFGB	
COc1cc(Br)cc(C=C(C#N)C#N)c1O	1410799	NJHVFOUBFOTSKF-UHFFFAOYSA-N	279.093	2.594	50	40	CFGB	
N#C/C(=C\c1cccc(Br)c1)C(N)=S	59398959	LDFMNMCULMRDRU-XBXARRHUSA-N	267.151	2.642	50	40	CFGB	
Br[C@H]1[C@@H]2CC[C@H](C2)[C@H]1Br	100132244	IZDDPSZQOJBKGK-GBNDHIKLSA-N	253.965	2.943	50	40	CFGB	
COC(=O)NNC(=O)c1oc2c(ccc3ccccc32)c1C	9604920	CVTWNLRSPOCYGD-UHFFFAOYSA-N	298.298	2.895	50	40	CFGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(C#N)cc2)NC(=O)N1	409367900	JCYOFFLIQGAPOG-ZDUSSCGKSA-N	280.331	2.736	50	40	CFGB	
BrCc1cn2cc(Br)ccc2n1	36243536	GVFLXIHUYIGFID-UHFFFAOYSA-N	289.958	2.992	50	40	CFGB	
O=C(Cl)c1cc(Br)cc2nc[nH]c12	73633837	PDGFKIXVXAWLRL-UHFFFAOYSA-N	259.490	2.704	50	40	CFGB	
COc1ccc(N(C)C(=O)CCl)cc1C(F)(F)F	199755291	QVDAFWUEDYNTST-UHFFFAOYSA-N	281.661	2.916	50	40	CFGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccncc1	5069492	XHWYLENSDCBWFE-BKMOOISMSA-N	269.348	2.683	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1	485311	DRLXTWWISSNGBW-UHFFFAOYSA-N	288.734	2.723	50	40	CFGB	
COc1ccc(CC(=O)N/N=C2\CCC[C@H](C)C2)cc1	369403	KFKNYXRVNLJPTI-KNEMVRMJSA-N	274.364	2.920	50	40	CFGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc[nH]1	550665	LCMKFBAIDDSIRM-RGVLZGJSSA-N	292.342	2.730	50	40	CFGB	
COc1cc(N(CCCl)CCCl)ccc1C=O	1723667	GTDPEAHAOACWFA-UHFFFAOYSA-N	276.163	2.792	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)o1	516784	FWZVNFHUZMVRJJ-RQZCQDPDSA-N	286.331	2.734	50	40	CFGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1O	34895618	ZTMCPRVQZFXHTP-LCYFTJDESA-N	294.310	2.946	50	40	CFGB	
O=C(CCl)NCCC(=O)Nc1cccc2ccccc12	8733113	XMHFNNFILKJRGV-UHFFFAOYSA-N	290.750	2.523	50	40	CFGB	
O=C1CCC/C(=N\NC(=O)c2cc3ccccc3cc2O)C1	100153025	JFGSWARAKMKECB-QGOAFFKASA-N	296.326	2.774	50	40	CFGB	
CC(C)c1ccc(OCc2ccc(C(=O)NN)cc2)cc1	370208	RVEAFQNBFOIKBK-UHFFFAOYSA-N	284.359	2.993	50	40	CFGB	
CC(C)c1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1	45952299	RHAQXDLUEQEURQ-LLVKDONJSA-N	265.740	2.928	50	40	CFGB	
CCCNC(=O)/C(C#N)=C\c1ccc(OCC(F)F)cc1	98013313	UNQRJLOLQXINRR-WQLSENKSSA-N	294.301	2.764	50	40	CFGB	
COc1ccccc1[C@@H]1C(C#N)=C(SC)N=C(O)[C@@H]1C#N	80974	UUKFZGULEZTPDN-MFKMUULPSA-N	299.355	2.987	50	40	CFGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cccc(O)c1	33574104	YJUPDVAOGVPEBO-IZWMIFJYSA-N	284.359	2.994	50	40	CFGB	
O=C(/C=C/c1ccccc1)NNC(=O)/C=C/c1ccccc1	3070272	POTPVJOBCXVCJE-PHEQNACWSA-N	292.338	2.561	50	40	CFGB	
COc1ccc2c(c1)CCC1=C2CC[C@@H]2C(=O)OC(=O)[C@]12C	103891334	GMONDBYKIPBMHG-CRAIPNDOSA-N	298.338	2.895	50	40	CFGB	
CCOC(=O)/C(C#N)=C\Nc1cccc(Cl)c1	13613962	WXFLGONMNQJZFA-HJWRWDBZSA-N	250.685	2.722	50	40	CFGB	
CC(C)n1cc(/C=C(\C#N)C(N)=O)c2ccccc21	16989325	SGDISXMQKUECMR-YRNVUSSQSA-N	253.305	2.614	50	40	CFGB	
O=C(CNc1ccccc1)N/N=C/c1cccc(Cl)c1	5338416	YDASFEWGKBYJPW-VCHYOVAHSA-N	287.750	2.902	50	40	CFGB	
N#CC(C#N)=Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1	171054	ZZCMCJSSFGUHFD-UHFFFAOYSA-N	299.289	2.918	50	40	CFGB	
Cc1csc(NC(=O)/C(C#N)=C/c2ccccc2)n1	111887436	OSWRKTWKQHGELG-KPKJPENVSA-N	269.329	2.997	50	40	CFGB	
O=C(/C=C\c1ccccc1)NNC(=O)/C=C/c1ccccc1	8857188	POTPVJOBCXVCJE-HEEUSZRZSA-N	292.338	2.561	50	40	CFGB	
Cc1c(C(=O)NN)c2ccccc2n1Cc1ccccc1	216946347	ZNQGIMMTVZQOEM-UHFFFAOYSA-N	279.343	2.602	50	40	CFGB	
Fc1cc(Br)cnc1CBr	217945440	FFPIVPVFJCHOOB-UHFFFAOYSA-N	268.911	2.878	50	40	CFGB	
O=C(N/N=C\c1ccncc1)c1cc2ccccc2o1	30922285	HJIMMCXABJUTFU-YVLHZVERSA-N	265.272	2.592	50	40	CFGB	
CCC(CC)NNC(=O)c1cn(C)c2ccccc12	239563081	TYGKZQAIUIQJIX-UHFFFAOYSA-N	259.353	2.601	50	40	CFGB	
C/C(=N\NC(=O)CCc1ccccc1)c1ccccc1O	12403624	YJNSGSZMRZTISM-QGOAFFKASA-N	282.343	2.865	50	40	CFGB	
Cc1cccc(C(=O)N/N=C2/CCC[C@H](C)C2)c1O	16990021	SBYRYSBMDZRZSF-HPCMQXCGSA-N	260.337	2.997	50	40	CFGB	
O=C(N/N=C/c1ccccc1)c1cc(-c2ccccc2)n[nH]1	6813847	HSDVCEWEQSYSJL-LDADJPATSA-N	290.326	2.841	50	40	CFGB	
COc1ccccc1C(=O)N/N=C1\C[C@@H]2CC[C@H]1C2	5527553	NXUNHWFVYPSFBF-VGNHOVESSA-N	258.321	2.601	50	40	CFGB	
CCOc1ccc([C@H]2CCCN2C(=O)CCl)cc1	58033197	IEFRTCQZSNVJEV-CYBMUJFWSA-N	267.756	2.988	50	40	CFGB	
CC1(C)[C@@H]2CC[C@]1(CI)C(=O)C2	100746538	KQYSDWDPNRZEJA-XCBNKYQSSA-N	278.133	2.817	50	40	CFGB	
CN(Cc1ccccc1)C[C@H]1CCCCN1C(=O)CCl	79414836	POXKATWXTJKVOL-OAHLLOKOSA-N	294.826	2.738	50	40	CFGB	
O=C(Cl)[C@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1	34461008	ZZRJUXWRRBGKQN-ONTFQQAWSA-N	281.783	2.569	50	40	CFGB	
N#C/C(=C/c1ccsc1)C(=O)NCc1ccco1	6438166	UIOJKUYMEDTDSO-WDZFZDKYSA-N	258.302	2.564	50	40	CFGB	
Nc1ccccc1C(=O)N/N=C/c1cccc(Cl)c1	41213366	HLZMNAPGYYQUGD-RQZCQDPDSA-N	273.723	2.686	50	40	CFGB	
Cc1cc(OCC(=O)N/N=C/c2ccco2)ccc1Cl	253205	BHQDGEAQSCRMNQ-LZYBPNLTSA-N	292.722	2.771	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C/Cc1ccccc1	13958701	JGSJBENEJRWPTO-SFQUDFHCSA-N	252.317	2.574	50	40	CFGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccsc2)cc1	7068689	MZQVJVZOJZHAAX-ZSOIEALJSA-N	298.367	2.980	50	40	CFGB	
CCc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	4704710	OUCJFTCUEWULAQ-GZTJUZNOSA-N	297.314	2.921	50	40	CFGB	
C[C@@H]1[C@H]2C[C@@H]([C@@H](Br)C23OCCO3)C1(C)C	222070966	MBWIJPYDHZDSFW-DOLQZWNJSA-N	275.186	2.805	50	40	CFGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2)cc1	193377551	CHTXZFMNJNXIMG-WJDWOHSUSA-N	292.338	2.919	50	40	CFGB	
COC(=O)NNC(=O)c1sc2ccccc2c1Cl	357624	UGIMVDPXHPPNPH-UHFFFAOYSA-N	284.724	2.556	50	40	CFGB	
C[C@]1(C(=O)N/N=C/c2ccccc2)CC1(Cl)Cl	4907216	IPSDXOMLCSYKAU-LBMJDHPKSA-N	271.147	2.721	50	40	CFGB	
CCCOc1ccc(/C=N/NC(=O)C2CC2)cc1OCC	8105251	AGNUIWBFWJRYEM-GZTJUZNOSA-N	290.363	2.734	50	40	CFGB	
NNC(=O)CCc1ccc(-c2ccccc2Cl)o1	216923577	LKHOPKINGMTUOO-UHFFFAOYSA-N	264.712	2.523	50	40	CFGB	
Cn1cccc1-c1nnc(SCCCCl)n1C	228976055	JIFLREZWYBTBFS-UHFFFAOYSA-N	270.789	2.542	50	40	CFGB	
C[C@H]1CC(C)(C)N(C(C)(C)C(=O)NN)c2ccc(F)cc21	223208433	XSIMIKFMWPXBDW-JTQLQIEISA-N	293.386	2.686	50	40	CFGB	
O=C(N/N=C1\C[C@H]2CC[C@@H]1C2)c1ccc(Br)o1	256244	ROKUKPSEVFONKG-NSLSTZAASA-N	297.152	2.948	50	40	CFGB	
COc1ccc([C@@H](NC(=O)CCl)C2CC2)cc1	12505719	QTACPWXJDSRIGJ-ZDUSSCGKSA-N	253.729	2.501	50	40	CFGB	in-vitro
Nc1ccc(C(=O)N/N=C2/CCCc3ccccc32)cc1	100229802	CSLAYFMSIOJKOV-MNDPQUGUSA-N	279.343	2.739	50	40	CFGB	
COC(=O)c1occc1/C=C(\C#N)c1ccccn1	8729081	LNWAQGQNFCFSSY-DHZHZOJOSA-N	254.245	2.525	50	40	CFGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(C)cc2O)c1	354664	OKLWLFSAVGQUMH-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
Cc1ccc(COc2cccc(/C=C/C(=O)NN)c2)cc1	226338940	NGVLTMRPXUVNHI-MDZDMXLPSA-N	282.343	2.577	50	40	CFGB	
CC(C)=NNC(=O)CSc1nc2ccccc2s1	109173	AUFHVKFAHOPUNE-UHFFFAOYSA-N	279.390	2.900	50	40	CFGB	
CC(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C	368200	DMEJMEHQHZAYGI-RQZCQDPDSA-N	273.311	2.703	50	40	CFGB	
O=C(N/N=C\c1cc(Cl)ccc1O)c1ccc(F)cc1	30822010	HRBKERAADCUVAN-IUXPMGMMSA-N	292.697	2.949	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2ccc(F)cc2C(C)=CC1(C)C	223201950	NLAXOXABJKQIBT-CYBMUJFWSA-N	291.370	2.596	50	40	CFGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(N)=O	40007419	YWPCCVYOBRZJOG-NTEUORMPSA-N	296.301	2.797	50	40	CFGB	
CCOc1ccccc1[C@@H](CC)NC(=O)CCl	68583617	COCIFBANUQYAQJ-LLVKDONJSA-N	255.745	2.891	50	40	CFGB	in-vitro
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccccc1[N+](=O)[O-]	5945817	PBTGERFGSPGQIL-KSJZWGJFSA-N	285.303	2.523	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc(F)cc1	13953266	RJXBIVYXMVWUAM-GZTJUZNOSA-N	256.280	2.980	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C2/C[C@H]3CC[C@@H]2C3)cc1	4646914	FGXBZQCQCXYCLX-KQDATDAWSA-N	272.348	2.991	50	40	CFGB	
CCOC(=O)/C(C#N)=C1/Sc2ccccc2N1C	267504	IZUMOAIKWSZWNX-FMIVXFBMSA-N	260.318	2.527	50	40	CFGB	
C/C(=N/NC(=O)CNc1ccccc1)c1ccc(C)cc1	14922199	FKQXMLVGGPWYGW-RGEXLXHISA-N	281.359	2.947	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)[C@@H]1[C@@H]2CCCC[C@]21C	408880459	JEMIEYGGTFJILT-OGUKHXHRSA-N	286.375	2.972	50	40	CFGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc[nH]1	549309	AXNGSSPEJKOUFL-RGVLZGJSSA-N	292.342	2.730	50	40	CFGB	
CCOC(=O)C1=NN(c2cccc(C)c2)/C(=C/C#N)S1	96941209	HAPDSIMNSGXKMA-GHXNOFRVSA-N	287.344	2.790	50	40	CFGB	
C=CCSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1	409123283	BQLGSJUEZXZCMI-SECBINFHSA-N	260.318	2.537	50	40	CFGB	
NC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	272148	VIFFSHUJAPURHF-VIZOYTHASA-N	263.684	2.602	50	40	CFGB	
C[S@](=O)(=NC(=O)CCl)c1ccc(Cl)cc1	95676578	JKWOSHPEGQQQCV-OAHLLOKOSA-N	266.149	2.562	50	40	CFGB	
O=C(O)[C@@H](Br)[C@@H](Cl)c1ccccc1	1685703	WWFTTYIPIVLPFP-YUMQZZPRSA-N	263.518	2.815	50	40	CFGB	
C/C(=N\NC(=O)C1CCCCC1)c1cccc(N)c1	4483137	PUSBMBTVSXQXAF-GZTJUZNOSA-N	259.353	2.689	50	40	CFGB	
COc1cccc(C(=O)N/N=C2\C[C@H]3CC[C@@H]2C3)c1	6794037	DDFXZNFQISCFDQ-FUEQTKRBSA-N	258.321	2.601	50	40	CFGB	
N#CC1=C(N)n2c(nc3ccccc32)N[C@@H]1c1ccccc1	20086143	RMNIKBISMJKQDD-OAHLLOKOSA-N	287.326	2.854	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C2\C=C(C)CC2)cc1	35785058	RTZARFIXYXAWNV-SSZFMOIBSA-N	258.321	2.911	50	40	CFGB	
COc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)c(C)c1	59116192	HQYQLDGAJVZNQS-ZROIWOOFSA-N	296.326	2.820	50	40	CFGB	
C/C(=N\NC(=O)c1ccco1)c1ccc(-n2ccnc2)cc1	5517011	FGXQMJYJEQAQII-LDADJPATSA-N	294.314	2.619	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(O)c1	408879373	FWQZXCZSUUOLIA-UKTHLTGXSA-N	294.310	2.946	50	40	CFGB	
O=C(N/N=C\c1cccc(O)c1)c1cc2ccccc2o1	83331590	FVCYHGYEOQAVLQ-YVLHZVERSA-N	280.283	2.902	50	40	CFGB	
N#Cc1ccc(N/N=N/CCOCCCl)cc1	17124402	ACGOJQJLGCTCEK-UHFFFAOYSA-N	252.705	2.593	50	40	CFGB	
C[C@H](Cl)C(=O)N(C)Cc1nc2ccccc2s1	37389625	XEDAOJOZFJRAIS-QMMMGPOBSA-N	268.769	2.882	50	40	CFGB	in-vitro
CCOc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1	6950028	UXQCFFRWZBZMLZ-NTEUORMPSA-N	296.326	2.902	50	40	CFGB	
O=C(N/N=C1/C[C@H]2CC[C@H]1C2)c1ccc(Br)o1	100521903	ROKUKPSEVFONKG-OEFOPLCXSA-N	297.152	2.948	50	40	CFGB	
O=C(NNC(=O)c1ccc(F)cc1Cl)c1ccccc1	12869000	ULRCSVGCFNGDJG-UHFFFAOYSA-N	292.697	2.554	50	40	CFGB	
N#C/C(=C/c1cccnc1)C(=O)Nc1ccc(F)cc1	13201062	QJLCQAXVOVJXEJ-WQLSENKSSA-N	267.263	2.766	50	40	CFGB	
COc1ccccc1/C=C(\C#N)C(=O)NC1CCCC1	13895910	LQRRQBVYFVSLDP-JLHYYAGUSA-N	270.332	2.661	50	40	CFGB	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccncc1	5381611	PLCBDGQAMBYUOW-KIHYJURLSA-N	279.343	2.726	50	40	CFGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccn2C)c1	409097667	NTBOLMWKDHGIAT-RAXLEYEMSA-N	295.342	2.969	50	40	CFGB	
CC[C@@H](C(=O)N/N=C/c1cccnc1)c1ccccc1	15934423	KSOTWIHEFWUOGI-GYZOOYGHSA-N	267.332	2.726	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccccc2Cl)o1	408992629	AQQXADWVGWCYIJ-CXUHLZMHSA-N	291.738	2.763	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1cc(Br)ccc1O	33732594	VXMQQXKIWJQWPH-UITAMQMPSA-N	296.120	2.625	50	40	CFGB	
CC1=CC(C)(C)N([C@@H](C)C(=O)NN)c2cc(C)c(C)cc21	223195029	RADBHMIBBKEDHW-ZDUSSCGKSA-N	287.407	2.684	50	40	CFGB	
C[C@@]12CC[C@@H]([C@H](Br)C1=O)[C@]2(C)CCC(=O)O	242687470	UHBNKGHKJHETSR-JMWNJNDNSA-N	289.169	2.620	50	40	CFGB	
COc1ccc(CBr)nc1Br	19924556	LFIHYCFTNHIAQQ-UHFFFAOYSA-N	280.947	2.748	50	40	CFGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1	9201834	GYJDWWUBNDSMIZ-CPNJWEJPSA-N	292.338	2.771	50	40	CFGB	
Cc1cccc(CCCOCCBr)n1	39947674	DSWZNHHSBQLGBF-UHFFFAOYSA-N	258.159	2.734	50	40	CFGB	
CC(/C=N/NC(=O)[C@@H](O)c1ccccc1)=C\c1ccco1	5287597	WOYBNPZVRYFCEC-JVRDQFFOSA-N	284.315	2.519	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)[nH]1	13124018	CVFCIOPFGZBXLX-NTUHNPAUSA-N	285.372	2.916	50	40	CFGB	
COc1ccc(/C=C\C(C)=N/NC(=O)c2ccncc2)cc1	17311117	TUSBBRJQHKILME-WLAJIJDGSA-N	295.342	2.909	50	40	CFGB	
Cn1cc(/C=N/NC(=O)Cc2ccccc2)c2ccccc21	562635	UQOBNKRGABUVAI-XDHOZWIPSA-N	291.354	2.871	50	40	CFGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(C#N)cc1	100921352	RKZAWWHRWQDNBK-MRXYOOKOSA-N	281.359	2.835	50	40	CFGB	
CN(C)C(/C=C/Nc1ccccc1F)=C(C#N)C#N	100924342	MZOYBKJVQUGYFZ-BQYQJAHWSA-N	256.284	2.614	50	40	CFGB	
CN(CC12CC3CC(CC(C3)C1)C2)C(=O)CCl	37654159	BQBSHCQXVRRLBX-UHFFFAOYSA-N	255.789	2.900	50	40	CFGB	in-vitro
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCCC1	1452604	NYZDJZKKBTWPEZ-UKTHLTGXSA-N	299.330	2.951	50	40	CFGB	
CC(C)CC(=O)NNC(=O)c1cc(Cl)ccc1Cl	6982937	XIYLWEBCFNZJLQ-UHFFFAOYSA-N	289.162	2.801	50	40	CFGB	
COc1ccc(NC(=O)N2CCSSCC2)cc1	89444338	OKFNRLCCTJTEOY-UHFFFAOYSA-N	284.406	2.924	50	40	CFGB	
C[C@H](Oc1ccccc1)C(=O)N/N=C\c1ccccc1	11582372	KEROMGGTCHNRIM-IGWPVBGESA-N	268.316	2.604	50	40	CFGB	
O=C1S[C@@H](Br)C(=O)N1c1ccc(F)cc1	16669775	ZWIXQGTXMDNDEF-SSDOTTSWSA-N	290.113	2.747	50	40	CFGB	
COc1cc(C(=O)NN=C2CCC2)ccc1OC(C)C	84622012	BIHLPSVTHLALAQ-UHFFFAOYSA-N	276.336	2.752	50	40	CFGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1	20197265	JRPIPUPVTONFLC-LDADJPATSA-N	298.342	2.945	50	40	CFGB	
O=C(N/N=C\c1c[nH]nc1-c1ccccc1)c1cccs1	19832245	GTMDXSHLVKKCDT-YVLHZVERSA-N	296.355	2.902	50	40	CFGB	
CCN(Cc1ccccc1)[C@@H]1CCCN(C(=O)CCl)C1	79414905	GHZGONXOYJVENH-OAHLLOKOSA-N	294.826	2.738	50	40	CFGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccco2)c1O	6182491	QXVKYZYJJKTVPP-DHZHZOJOSA-N	284.271	2.539	50	40	CFGB	
C/C(=N/NC(=O)c1cccc(C)c1)c1ccc(N)cc1	12403858	SNIDPWQVBNBZCG-PDGQHHTCSA-N	267.332	2.731	50	40	CFGB	
O=C(COc1ccc(Cl)cc1)OCCBr	1692362	UTGZFVKKHUDBRW-UHFFFAOYSA-N	293.544	2.657	50	40	CFGB	
CCC(CC)=NNC(=O)c1ccc(NC(=O)C2CC2)cc1	9869635	ZGMBECQZMAGMAG-UHFFFAOYSA-N	287.363	2.941	50	40	CFGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	2582242	GWIBXULMGOBDGK-IZZDOVSWSA-N	257.289	2.937	50	40	CFGB	
C[C@H](Cl)C1O[C@H]([C@@H](C)Cl)O[C@H]([C@@H](C)Cl)O1	256011942	XTQUGQZRFTWKFM-ZSOGQODBSA-N	277.575	2.910	50	40	CFGB	
Cc1ccc(C)c(/C=N/NC(=O)c2ccccc2N)c1	5587707	FDYKVCMOKILMEU-VCHYOVAHSA-N	267.332	2.650	50	40	CFGB	
CCOC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)cc1	2768351	BVEBXRDMZTTXKV-XYOKQWHBSA-N	297.314	2.555	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(F)cc2)cc1	58872	NCMSIJLCKXUBJS-VXLYETTFSA-N	285.322	2.696	50	40	CFGB	
O=C(NNc1cnccn1)Nc1cccc2ccccc12	32779548	CNQHOIYGIPPZFR-UHFFFAOYSA-N	279.303	2.778	50	40	CFGB	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	42037605	NTMUUBGTTLEOTM-VXGBXAGGSA-N	289.466	2.948	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2ccccc2)c(C)c1	3023314	OZWRNBCVONBYOE-WOJGMQOQSA-N	282.343	2.833	50	40	CFGB	
CCN(CCCl)CCOc1ccc([N+](=O)[O-])cc1	1702165	BXSQKLZWJGJHSO-UHFFFAOYSA-N	272.732	2.534	50	40	CFGB	
O=C(N/N=C1\Nc2cccc3cccc1c23)c1ccncc1	18037882	MYBIEESUQQNYKQ-UHFFFAOYSA-N	288.310	2.752	50	40	CFGB	
C[C@H]1CN(c2ccc(/C=C/C#N)cc2[N+](=O)[O-])C[C@H](C)O1	69899786	FMVBYJRPOXDNBH-QSKOYVBTSA-N	287.319	2.745	50	40	CFGB	
BrCCC[n+]1ccc2ccccc2c1	575435724	VKQYCVUMVBADPP-UHFFFAOYSA-N	251.147	2.912	50	40	CFGB	
CCCCOC(=O)/C(C#N)=C\c1ccc(O)c(OC)c1	96021714	KEWCSCYMDASUFF-WQLSENKSSA-N	275.304	2.651	50	40	CFGB	
O=S1(=O)C[C@H](Cl)[C@@H](Sc2ccc(Cl)cc2)C1	4286563	NWPMWWNEXNOQGK-UWVGGRQHSA-N	297.228	2.837	50	40	CFGB	
CC(C)N(Cc1cccc(C#N)c1)C(=O)CCl	79420786	NSIMZBIJBOTMCO-UHFFFAOYSA-N	250.729	2.534	50	40	CFGB	
Cc1cc(C(=O)N/N=C/[C@H]2CC=CCC2)ccc1[N+](=O)[O-]	5536402	XBZXWOHSGFRPCO-SEJMYLSOSA-N	287.319	2.975	50	40	CFGB	
O=C(CCCCl)c1ccc(N2CCOCC2)cc1	575358667	MPEUZFUKTIUAFA-UHFFFAOYSA-N	267.756	2.725	50	40	CFGB	
O=C(NNC(=O)C1CC1)c1sc2ccccc2c1Cl	512397	OEEGGWMVBCCGNQ-UHFFFAOYSA-N	294.763	2.726	50	40	CFGB	
C/C(=N\NC(=O)c1ccncc1)c1cc(C)ccc1C	7892602	FSYOLYMXRPFROS-QGOAFFKASA-N	267.332	2.852	50	40	CFGB	
CCOC(=O)/C(C#N)=C\[CH-]C(=C(C#N)C#N)c1ccccc1	100947134	WSECSQIYPQMALH-ZSOIEALJSA-N	290.302	2.705	50	40	CFGB	
C[C@]12C(=O)OC(=O)[C@H]1CCc1c2ccc2ccccc12	100494194	KTDZHEOUAJICME-RHSMWYFYSA-N	266.296	2.743	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)OC(C)(C)C)c(O)c1	5163728	RTBLYHGYIUVCGD-OQLLNIDSSA-N	280.324	2.650	50	40	CFGB	
C/C(=C(/C#N)C(=O)NCc1ccco1)c1ccccc1	6561891	VOKGQVJRVVGTTD-NTCAYCPXSA-N	266.300	2.893	50	40	CFGB	
CC1=C(C#N)[C@@H](c2ccsc2)c2nc(N)oc2N1	5791593	XDAQDOIUSLWINE-SECBINFHSA-N	258.306	2.673	50	40	CFGB	
COc1ccccc1/C=C(/C#N)C(=O)NC1CCCC1	4502035	LQRRQBVYFVSLDP-RAXLEYEMSA-N	270.332	2.661	50	40	CFGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2cccnc2)cc1	343264	QDOQQMJEMDEMSC-VCHYOVAHSA-N	283.331	2.633	50	40	CFGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1C	75859	NZNDCGLZMWQZMF-OAHLLOKOSA-N	298.342	2.640	50	40	CFGB	
O=C(O)[C@@H](Cl)CSc1nc2ccccc2o1	4713663	UTWNACZGRSGSPC-LURJTMIESA-N	257.698	2.612	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(Cl)s1	6827462	UAHWKVTWNAPZDK-VMPITWQZSA-N	254.742	2.833	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)c1	136292164	QYTSNTXESMKIDG-GEDAEYTGSA-N	284.359	2.750	50	40	CFGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccn2C)cc1	192554733	HTDUZRZLYHVGAP-QBFSEMIESA-N	295.342	2.969	50	40	CFGB	
CCC(CC)[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21	96336908	KQFQGCIMMWCKAR-CQSZACIVSA-N	258.321	2.998	50	40	CFGB	
CO[C@@]12CC[C@H](C(C)(C)C)CC1=C(C#N)C(C#N)=C(N)O2	96336591	VRGACUCQYZATBY-MGPLVRAMSA-N	287.363	2.720	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)o1	2768577	WVPWPOWOGQGNTL-GIJQJNRQSA-N	296.330	2.591	50	40	CFGB	
C[C@H]1C[C@@H](OC(=O)c2ccccc2)[C@H](C)CN1/C=C/C=O	3900209	AMWSLZCCVAAWRN-HPDPMFCGSA-N	287.359	2.655	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)o1	6478382	UGAPMZIKBIZVON-XYOKQWHBSA-N	296.282	2.832	50	40	CFGB	
O=C(Cl)c1ccc(OCC(F)(F)F)c([N+](=O)[O-])c1	72226459	VHGSHQQAPCAZSE-UHFFFAOYSA-N	283.589	2.915	50	40	CFGB	
O=C(CBr)c1ccc(C(F)(F)F)cn1	138071795	HOUQSRLDJIVIOG-UHFFFAOYSA-N	268.032	2.678	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	5540063	BHAFEAIATPKVEC-LICLKQGHSA-N	297.314	2.976	50	40	CFGB	
CC(C)(C)c1ccc(S(=O)(=O)NCCCl)cc1	5521983	WXLKICXPODQAAU-UHFFFAOYSA-N	275.801	2.501	50	40	CFGB	
O=C(Nc1ccccc1)c1nnc(CCl)s1	12505492	YZNYKYFTSIBGIU-UHFFFAOYSA-N	253.714	2.529	50	40	CFGB	in-vitro
Cc1ccccc1NCC(=O)N/N=C/c1cccs1	61749	AUQZIZOZZNPANL-CXUHLZMHSA-N	273.361	2.619	50	40	CFGB	
BrCCOc1ccc([C@@H]2NCCS2)cc1	12336771	BKAUWTAOEQBMRE-LLVKDONJSA-N	288.210	2.795	50	40	CFGB	
C[C@H](Cl)C(=O)Nc1nnc(-c2ccccc2)s1	4079008	URBGBDSONZTQIN-ZETCQYMHSA-N	267.741	2.771	50	40	CFGB	
CCOC(=O)/C(C#N)=C\Nc1ccc(Br)cc1	100264257	CERDTJDPHMXSTI-HJWRWDBZSA-N	295.136	2.832	50	40	CFGB	
COC(=O)[C@@H](Cl)c1cc(Br)cs1	50978258	MZVFWHOGQPDLGE-LURJTMIESA-N	269.547	2.964	50	40	CFGB	
C[C@@H](Cc1nc2ccccc2s1)NC(=O)CCl	39947584	ZIVWQJVLNPBABI-QMMMGPOBSA-N	268.769	2.582	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC(F)F	95949814	XRWIVUNQPCHULA-XBXARRHUSA-N	286.665	2.594	50	40	CFGB	
CC1=CC(C)(C)N([C@H](C)C(=O)NN)c2ccc(Cl)cc21	260621784	OZBPBZGZPFSDTC-SNVBAGLBSA-N	293.798	2.720	50	40	CFGB	
CCOc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1O	3225769	DMFWREVYRQSABD-OQLLNIDSSA-N	280.324	2.650	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2C)cc1	3102513	QMHGILLZFTUUNP-YBFXNURJSA-N	281.359	2.866	50	40	CFGB	
Cn1c(C(=O)NN)cc2cc(Oc3ccccc3)ccc21	4561064	MDZHKPKONJZXGK-UHFFFAOYSA-N	281.315	2.574	50	40	CFGB	
CCc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)s1	17022445	MNGVTZIWKJPWSQ-JATZPVMKSA-N	290.388	2.513	50	40	CFGB	
N#C/C(=C/c1ccco1)C(=O)Nc1cccc(C(=O)O)c1	33451252	BFURWSXVQRYBCP-FLIBITNWSA-N	282.255	2.523	50	40	CFGB	
COc1ccc(-c2nnsc2C(=O)OCCCl)cc1	223837108	MBIGOJFTMBLDNR-UHFFFAOYSA-N	298.751	2.609	50	40	CFGB	
COC(=O)/C(=C\c1ccccc1)CBr	17042913	GIVCLXFKVGOEAT-YFHOEESVSA-N	255.111	2.638	50	40	CFGB	
CC1(C)CC(=O)C/C(=N\NC(=O)c2cccs2)C1	100006547	AKFFIZBZJYPMQQ-NTEUORMPSA-N	264.350	2.613	50	40	CFGB	
CC[C@H](C)Sc1nnc(NC(=O)CCCl)s1	2451448	PFIPULXLLGVKCA-LURJTMIESA-N	279.818	2.996	50	40	CFGB	
C=CCNc1nc(CCl)c(C(=O)OCC)s1	12394467	QKFNABVIWZJFQW-UHFFFAOYSA-N	260.746	2.657	50	40	CFGB	
O=c1ccc2ccc(OCCBr)cc2o1	2342804	UVZZJDAWINTTQK-UHFFFAOYSA-N	269.094	2.567	50	40	CFGB	
CC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccn2)cc1	6511153	FUZXAAXHYPVXGN-GXDHUFHOSA-N	291.310	2.830	50	40	CFGB	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)NC1CC1	5725136	ALXKXAJZJQOBMT-USTLKGCXSA-N	252.317	2.818	50	40	CFGB	
Cc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)o1	16790796	WALBBRAMJZZWJD-XFXZXTDPSA-N	258.321	2.944	50	40	CFGB	
COc1cccc(C(=O)N/N=C/c2ccc(F)s2)c1	252508322	XKDOTFLGHAAOTN-OVCLIPMQSA-N	278.308	2.660	50	40	CFGB	
O=C1ON=C(CCl)/C1=C\c1cccc2[nH]ccc12	34926740	BSOHRZFPRPKEOL-UXBLZVDNSA-N	260.680	2.703	50	40	CFGB	
N#C/C(=C/Nc1ccc2ccccc2c1)C(N)=S	100314201	ZDANHPFVDLMRQZ-XFXZXTDPSA-N	253.330	2.945	50	40	CFGB	
CCCOc1cc(/C=C(/C#N)C(N)=S)ccc1OC	4655522	ATOBKOURHZHZOC-XFFZJAGNSA-N	276.361	2.677	50	40	CFGB	
CO[C@]1(C)C[C@H](NC(=O)/C(C#N)=C\c2ccco2)C1(C)C	73274789	SKWWHHNAFBBZPP-PJPGKUGYSA-N	288.347	2.506	50	40	CFGB	
CCCCNS(=O)(=O)c1ccc(CCCl)cc1	20190679	FTWHJNXQIQRLJH-UHFFFAOYSA-N	275.801	2.546	50	40	CFGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccccc1O	95938450	FPUVBMSRVBQGSX-ZDLGFXPLSA-N	293.326	2.946	50	40	CFGB	
O=C(N/N=C1/CCCc2ccccc21)c1ccc(O)cc1	96446253	UELUOROWMBNKFC-VLGSPTGOSA-N	280.327	2.863	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)s1	2759558	UVDCDPDVLJLGKQ-YRNVUSSQSA-N	272.329	2.873	50	40	CFGB	
O=C1C[C@]2(C[C@H](Cl)N=N2)C(=O)N1c1cccc(Cl)c1	4498631	QYSOCVAWJAGDBL-BXKDBHETSA-N	298.129	2.763	50	40	CFGB	
N#CC1=C(N)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl	4786277	MAPBBZIHVQFOAE-AWEZNQCLSA-N	299.761	2.728	50	40	CFGB	
O=C(N/N=C\c1ccc(Cl)cc1)c1ccc(O)cc1	31791361	OVGIAZXUOJFKCW-SXGWCWSVSA-N	274.707	2.810	50	40	CFGB	
COc1cc(/C=C(/C#N)C(=O)C(C)C)cc2c1OCCO2	40549542	OVXIXRKKRMTLMO-SDQBBNPISA-N	287.315	2.598	50	40	CFGB	
COC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(=O)O)c2)o1	252483020	DSQVUEJFJXYCRW-WQLSENKSSA-N	297.266	2.725	50	40	CFGB	
O=C(NN=Cc1cc(Cl)ccc1O)c1cccs1	254442397	YPSWITZYSSEKGU-UHFFFAOYSA-N	280.736	2.871	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	337029	FDMLXZRPAJOOME-NTEUORMPSA-N	297.333	2.886	50	40	CFGB	
N#CC1=C(N)OC2=C(CCCC2=O)[C@H]1c1ccc(F)cc1	125596	QCDIFOIKMSKYQQ-CQSZACIVSA-N	284.290	2.640	50	40	CFGB	
O=[P@@]1(O)c2ccccc2Nc2cc(C(F)(F)F)ccc21	1617246	CKKDLJXUADIMBW-UHFFFAOYSA-N	299.188	2.984	50	40	CFGB	
O=C(CCSc1ccccc1)N/N=C/c1cccnc1	59473443	UZOVOVDUDBOYPC-SFQUDFHCSA-N	285.372	2.714	50	40	CFGB	
O=C(N/N=C1/CCSC1)c1ccc(-n2cccc2)cc1	17009510	OYRPGPUZWTUEGL-SSZFMOIBSA-N	285.372	2.700	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1[N+](=O)[O-]	409039488	RDZLXPRSURSELW-GZTJUZNOSA-N	297.314	2.596	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)c(C)c1	408808598	QIKASTKXYDKCFH-ZMTLZGASSA-N	272.348	2.825	50	40	CFGB	
CC1=CC(C)(C)N(C(C)(C)C(=O)NN)c2c(C)cccc21	223207339	RATNLYYXBAMUJQ-UHFFFAOYSA-N	287.407	2.765	50	40	CFGB	
C[C@@H](Oc1ccccc1)C(=O)NN=Cc1ccccc1	11582371	KEROMGGTCHNRIM-CYBMUJFWSA-N	268.316	2.604	50	40	CFGB	
O=C(/C=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1	59654	RAESSXPANFJGEV-LICLKQGHSA-N	286.718	2.939	50	40	CFGB	
CCCCCCCC[S@](=O)C[C@@H](O)CCl	100243488	DOGDGSIXWAWHNZ-XHDPSFHLSA-N	254.823	2.695	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/[C@@H]2C[C@H]3C=C[C@H]2C3)cc1	100356046	HHDYTLZRTTYXIY-RHJBEKKXSA-N	284.359	2.552	50	40	CFGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc[nH]1	486766	JJGKJYIGQYVJPO-XDHOZWIPSA-N	277.327	2.861	50	40	CFGB	
CCC[C@@H](OC(=O)CCl)[C@@H](CC)COC(=O)CCl	1687396	VKJPFWKYQBHZSI-VHSXEESVSA-N	299.194	2.745	50	40	CFGB	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)NC(C)C	6827520	DEYNUFZTJNLXRF-WDZFZDKYSA-N	278.739	2.780	50	40	CFGB	
CCC(CC)=NNC(=O)C(=O)Nc1cc(C)ccc1C	59516023	CSDKFOKOODRWER-UHFFFAOYSA-N	275.352	2.534	50	40	CFGB	
Cl[C@@H](Br)[C@H](Cl)Br	100022299	RJMDFMUPJANPGX-XIXRPRMCSA-N	256.752	2.906	50	40	CFGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(F)cc1	251605	HRBKERAADCUVAN-CAOOACKPSA-N	292.697	2.949	50	40	CFGB	
CCCCNC(=O)/C(C#N)=C/c1cc(F)ccc1F	40139638	PBRFVDGIVISUPP-YRNVUSSQSA-N	264.275	2.788	50	40	CFGB	
Cc1ccc(C)c(C(=O)NNc2ccccc2[N+](=O)[O-])c1	9498401	AMJLRUCYWQULLF-UHFFFAOYSA-N	285.303	2.969	50	40	CFGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(C(C)(C)C)cc1	59333867	DGVZZBBLWSANAA-RAXLEYEMSA-N	256.349	2.979	50	40	CFGB	
CCOc1cc(/C=C(\C#N)C(=O)OC)cc(Cl)c1O	7154520	UDDOGARRHIRSNV-RUDMXATFSA-N	281.695	2.524	50	40	CFGB	
O=C(CCCCCl)Nc1ccccc1[N+](=O)[O-]	37007119	VPSCHUWMOFECCE-UHFFFAOYSA-N	256.689	2.942	50	40	CFGB	
COc1cccc(/C=N/NC(=O)c2cccc(C)c2)c1OC	5747740	BEXIKHWJBFLSQX-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
CCOP(=O)(OCC)/C(C#N)=C/c1cn(C)cn1	13215715	FYKWGDXHIJLWPY-IZZDOVSWSA-N	269.241	2.551	50	40	CFGB	
COc1ccc(N(CCCl)CCCl)cc1OC	1663861	AWUAZGDXAPQIGH-UHFFFAOYSA-N	278.179	2.988	50	40	CFGB	
Cc1ccccc1NC(=S)NNC(=O)c1ccoc1C	8578725	CXHWRSFABRDKCD-UHFFFAOYSA-N	289.360	2.528	50	40	CFGB	
O=C(CSCc1ccccc1)N/N=C/c1ccco1	18192271	BPLSRTSUGOGJBC-OQLLNIDSSA-N	274.345	2.663	50	40	CFGB	
CCCC(O)(CCC)C(=O)NN=C1CCCCC1	4812164	VKGNRCHIFFLTQQ-UHFFFAOYSA-N	254.374	2.754	50	40	CFGB	
O=[P@@H](c1ccccc1)c1ccc(Br)cc1	1713533	WEMPPVSJGNFQAV-UHFFFAOYSA-N	281.089	2.960	50	40	CFGB	
CCCN1C(=O)C(=C(C#N)C#N)c2cc(Cl)ccc21	1320724	QPRDFSIJVSESTL-UHFFFAOYSA-N	271.707	2.897	50	40	CFGB	
Cc1ccccc1COc1ccc(Cl)cc1C(=O)NN	226319387	ZGSANJVJUGLKLY-UHFFFAOYSA-N	290.750	2.831	50	40	CFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccc2ccccc2n1	97991115	YUGDJJZAHFVESW-CSYCWZJQSA-N	277.327	2.917	50	40	CFGB	
Cc1sc(/C=C(/C#N)C(=O)OC(C)C)cc1[N+](=O)[O-]	43808	FRVHUYCHJSUHQB-WTKPLQERSA-N	280.305	2.823	50	40	CFGB	
CC(=O)c1c(C(C)=O)c(C)n(CCBr)c1C	528974	WVWOBOSILCWSFF-UHFFFAOYSA-N	286.169	2.905	50	40	CFGB	
C#CCOc1ccc(Br)cc1/C=C/C#N	108025914	HMOIQDSOKOWVAM-ONEGZZNKSA-N	262.106	2.998	50	40	CFGB	
C/C(=N/NC(=O)c1cc(O)ccc1O)c1cc(C)ccc1C	17024501	ZHUQYUZDVWAWBO-PDGQHHTCSA-N	298.342	2.869	50	40	CFGB	
Cc1ccsc1/C=N\NC(=O)c1cccc(O)c1	38165496	PPDLUAVIVZUSOA-ZSOIEALJSA-N	260.318	2.526	50	40	CFGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1ccccc1O	254309	HRNBLRJCXQOOTQ-LZYBPNLTSA-N	290.706	2.515	50	40	CFGB	
N#C[C@@H]1c2ccccc2C=CN1C(=O)CCBr	5328300	OFIKVVUUYOUPJS-GFCCVEGCSA-N	291.148	2.849	50	40	CFGB	
O=S(=O)(CCBr)c1ccc(Cl)cc1	19788577	LINNKLCBMSLYTQ-UHFFFAOYSA-N	283.574	2.509	50	40	CFGB	
O=C(N/N=C/c1ccncc1)c1cc2ccccc2o1	4898902	HJIMMCXABJUTFU-LICLKQGHSA-N	265.272	2.592	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc2[nH]cnc2c1	536278	DVYIDEPIMHKOJI-UFWORHAWSA-N	298.733	2.980	50	40	CFGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1	580252	VFOMODSDIMCIAH-WOJGMQOQSA-N	282.343	2.833	50	40	CFGB	
N#C[C@@H]1C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br	100057930	DEEVDUKZMAWCQE-DGAVXFQQSA-N	291.192	2.794	50	40	CFGB	
O=C(NNc1ccnc2cc(Cl)ccc12)C1CC1	9390022	XFMQJMCHHOGUGF-UHFFFAOYSA-N	261.712	2.741	50	40	CFGB	
CCCC[C@@H](Br)C(=O)Nc1cc(C)on1	9646769	UVJJWPPGTSWCSZ-MRVPVSSYSA-N	275.146	2.875	50	40	CFGB	
CCNC(=O)N(C)NC(=O)Nc1cccc2ccccc12	95996713	KOTRLMALFYEFEY-UHFFFAOYSA-N	286.335	2.538	50	40	CFGB	
Cc1ccc(COc2ccc(C(=O)NN)cc2Cl)cc1	216815325	WKEKKIWSKHFZMJ-UHFFFAOYSA-N	290.750	2.831	50	40	CFGB	
Cc1c(CBr)[nH]c2ccccc2c1=O	227148961	SCDRRSADZSYJHG-UHFFFAOYSA-N	252.111	2.731	50	40	CFGB	
C/C(=N\NC(=O)CNc1ccccc1Cl)c1ccco1	12362320	CSTPSSAWXRDDTI-LICLKQGHSA-N	291.738	2.885	50	40	CFGB	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)NC1CC1	7164143	LCAMGXARZFNLSC-NTCAYCPXSA-N	295.386	2.862	50	40	CFGB	
Cc1cccc(NC(=O)NNC(=O)CCc2ccccc2)c1	15934255	MJORBKJGLFCJKJ-UHFFFAOYSA-N	297.358	2.781	50	40	CFGB	
ClCc1nnc2c3ccccc3c(Cl)nn12	210884	VTVAZEGPALISLL-UHFFFAOYSA-N	253.092	2.670	50	40	CFGB	
O=C(O)c1ccc(CN(CCCl)CCCl)cc1	1711378	WEUPMYMFLVXLJP-UHFFFAOYSA-N	276.163	2.664	50	40	CFGB	
O=C(CCCC[C@H]1CCSS1)N1CCOCC1	34962802	WALUFLUQPVMJTC-NSHDSACASA-N	275.439	2.559	50	40	CFGB	biogenic
C[C@H]1Cc2ccccc2N1P(=O)(N(C)C)N(C)C	102130799	CHHKRRHSRAVOBA-NSHDSACASA-N	267.313	2.669	50	40	CFGB	
CCCCN1C(=O)/C(=C(\C#N)C(=O)OCC)c2ccccc21	409391070	XURAJNCKTRAOGW-FYWRMAATSA-N	298.342	2.674	50	40	CFGB	
CCCCC[C@H](O)CCC(=O)N/N=C/c1ccccc1	6273434	GMRSSNLHJUBQFI-XOAFGZPJSA-N	276.380	2.858	50	40	CFGB	
CCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	14199989	RCWWNZQFRWNCPI-UHFFFAOYSA-N	280.393	2.578	50	40	CFGB	
COC(=O)N/N=C/c1cccc(OC(=O)c2ccccc2)c1	6626250	DGYJIJKDOHJFIO-GZTJUZNOSA-N	298.298	2.596	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2cccnc2)c(Cl)c1	4827439	IIROTEYOEUOZEX-RQZCQDPDSA-N	273.723	2.807	50	40	CFGB	
CCOC(=O)N/N=C\c1ccc(N(CC)CC)cc1	31687309	PMXDNOSFQBDWNG-PTNGSMBKSA-N	263.341	2.613	50	40	CFGB	
O=c1c2ccccc2nc(CCl)n1Cc1ccco1	9791139	IUOSKJVPOABQDY-UHFFFAOYSA-N	274.707	2.777	50	40	CFGB	
CCOc1cc(C)c(/C=N/NC(=O)CC#N)cc1C(C)C	408859861	ZZVPTMIHNZDREW-VCHYOVAHSA-N	287.363	2.881	50	40	CFGB	
O=C(Cl)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1	45952698	RSBILLBNJJTBEN-LURJTMIESA-N	276.094	2.597	50	40	CFGB	
N#C/C(=C\c1cccc(O)c1)C(=O)c1ccc2c(c1)OCO2	44028773	HNMIGGVKQIQZTC-AWNIVKPZSA-N	293.278	2.911	50	40	CFGB	
CO[C@H]1C(=O)C=CO[C@H]1CO[Si](C)(C)C(C)(C)C	195817616	GWGVOINFXAUNAY-RYUDHWBXSA-N	272.417	2.505	50	40	CFGB	
Cc1ccc2cc(/C=N/NC(=O)CC#N)c(Cl)nc2c1	6216651	QXVDBONTVIDALC-CAOOACKPSA-N	286.722	2.560	50	40	CFGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/C1CCCCC1	5513482	UKWMPWOQUYYKBS-LFIBNONCSA-N	289.335	2.820	50	40	CFGB	
O=C(Nc1cccc(C2OCCCO2)c1)OCCCl	41107875	VMFQBEDXGHKAKX-UHFFFAOYSA-N	285.727	2.909	50	40	CFGB	
O=C(N/N=C/c1ccco1)c1csc2c1CCCC2	510201	STQWEQZSVMWPAL-OVCLIPMQSA-N	274.345	2.984	50	40	CFGB	
O=C(Cl)c1nnc2sc(-c3cccc(Cl)c3)nn12	57332650	PULKHPQUZKKQOU-UHFFFAOYSA-N	299.142	2.885	50	40	CFGB	
COc1cc(C[C@@H](C)Br)cc2c1OCO2	14987779	KTIRBVQBSQHJBY-SSDOTTSWSA-N	273.126	2.750	50	40	CFGB	
COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)c1	409192698	FKLZRUIBTKLPCU-UVTDQMKNSA-N	284.359	2.969	50	40	CFGB	
CCCC[C@@H](CC)COc1ccc(C(=O)NN)cc1	3848699	OGXVTPGAVQEQDC-GFCCVEGCSA-N	264.369	2.885	50	40	CFGB	biogenic
ClCc1ccc(-c2nn3cnnc3s2)cc1	41127468	OUJAWDXGMVZPMO-UHFFFAOYSA-N	250.714	2.592	50	40	CFGB	
N#C/C(=C\c1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1	566006	RJCIAPQBTLEIFC-KPKJPENVSA-N	294.270	2.535	50	40	CFGB	
ClCc1cn2cccc(I)c2n1	1776011110	JQKKEXDKWMQYEO-UHFFFAOYSA-N	292.507	2.678	50	40	CFGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cccs1	246643	FMKAYIUNMIHSEK-CXUHLZMHSA-N	269.329	2.993	50	40	CFGB	
O=C(NNc1nc2ccccc2nc1Cl)c1ccco1	572748	APQQZYALJKESQG-UHFFFAOYSA-N	288.694	2.633	50	40	CFGB	
COc1ccc(CCCC(=O)N/N=C\c2ccco2)cc1	4906935	WAWFISNKDHNLBD-ATVHPVEESA-N	286.331	2.761	50	40	CFGB	
Cc1cc(NC(=O)CCl)n(-c2ccccc2C)n1	12505042	PJYWXVAIXTWTEW-UHFFFAOYSA-N	263.728	2.666	50	40	CFGB	
COC(=O)/C(C#N)=C/c1c(C)nn(CC(C)C)c1Cl	21361913	IHJZWVWUQKHUPQ-BJMVGYQFSA-N	281.743	2.581	50	40	CFGB	
C[C@H]1C[C@@H](C)N[P@](=O)(N(CCCl)CCCl)O1	105377464	JXQRSUNWPFQCPR-YNEJBJPTSA-N	289.143	2.661	50	40	CFGB	
CCCCn1cc(/C=C(\C#N)C(N)=O)c2ccccc21	5946693	ZFMGBVAPRQOHSK-FMIVXFBMSA-N	267.332	2.834	50	40	CFGB	
O=C(N/N=C/c1ccco1)c1c[nH]c2ccccc12	5948771	HEDMOIBMBZFYJC-LZYBPNLTSA-N	253.261	2.525	50	40	CFGB	
CCC(=O)N[C@H](C)c1ccc(C(=O)CCl)cc1	72220041	DDSCZJOWEJBVDT-SECBINFHSA-N	253.729	2.695	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2ccccc2[C@H](C)CC1(C)C	260619621	OUEUJBBECLCHNL-DGCLKSJQSA-N	275.396	2.547	50	40	CFGB	
N#C/C(=C/c1cccc(F)c1)C(=O)NCc1ccco1	13424480	WPEWHOHJFFHHEF-GHXNOFRVSA-N	270.263	2.642	50	40	CFGB	
Cn1cc(C(=O)N/N=C/c2ccc(O)cc2)c2ccccc21	524565	UAFCNBLDRWTUGN-VCHYOVAHSA-N	293.326	2.648	50	40	CFGB	
C[C@@H]1Oc2ccccc2C=C1/C=N\NC(=O)c1cccnc1	32077950	GZAMTEIWYUEAFI-XHEYCZLTSA-N	293.326	2.662	50	40	CFGB	
Cc1ccccc1C(=O)NNC(=O)CC1CCCCC1	20418412	VIOQJQLIWVBWPZ-UHFFFAOYSA-N	274.364	2.726	50	40	CFGB	
CCCCC(=O)N/N=C(\C)c1ccc(-n2ccnc2)cc1	20573012	OZJLCNBWGJJLRX-QGOAFFKASA-N	284.363	2.903	50	40	CFGB	
COC(=O)c1ccc(/C=N/NC(=O)Nc2ccccc2)cc1	244383	XQHLIISVMLTCCU-GZTJUZNOSA-N	297.314	2.629	50	40	CFGB	
C[C@](O)(c1ccccc1)[C@@H](CCl)N1CCCCC1	1754418	WLVDUDMXGSZKDF-CABCVRRESA-N	267.800	2.987	50	40	CFGB	
Cc1cc(Br)c(N=C=O)cc1N=C=O	2143511	XJVHGKZBKJPGIJ-UHFFFAOYSA-N	253.055	2.692	50	40	CFGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2nccs2)c1	6210136	GIIJYTWMKPBFRG-YRNVUSSQSA-N	285.328	2.697	50	40	CFGB	
C[C@H](Cl)C(=O)Nc1c(F)c(F)c(F)c(F)c1F	39946618	VJDBJOQNMWGEKP-REOHCLBHSA-N	273.588	2.948	50	40	CFGB	in-vitro
CC(C)(C)OC(=O)Nc1ncc(C(=O)CCl)s1	228962836	ORWZRHAXVWZIHZ-UHFFFAOYSA-N	276.745	2.912	50	40	CFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1ccc2ccccc2n1	97991116	YUGDJJZAHFVESW-MVWSYIQLSA-N	277.327	2.917	50	40	CFGB	
CN1/C(=C(\C#N)C(=O)c2ccco2)Nc2ccccc21	100812942	FTSAOOAQQIDJLE-XNTDXEJSSA-N	265.272	2.759	50	40	CFGB	
O=C1Nc2cccc3cc(NC[C@@H](O)CCCl)cc1c23	1705707	ZPLAYAIRJGXXIO-NSHDSACASA-N	290.750	2.807	50	40	CFGB	
C[n+]1c2n(c3ccccc31)[C@@](C)(CBr)CS2	16946230	RBZADCNKICBMNV-LBPRGKRZSA-N	298.229	2.682	50	40	CFGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccncc2)cc1	211708981	LPKWEHICSWVABL-RAXLEYEMSA-N	279.299	2.636	50	40	CFGB	
CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)CCl	79393683	JAEASTRFBRJPRU-OAHLLOKOSA-N	294.826	2.738	50	40	CFGB	
CC1=CC(C)(C)N([C@H](C)C(=O)NN)c2cc(C)c(C)cc21	260622089	RADBHMIBBKEDHW-CYBMUJFWSA-N	287.407	2.684	50	40	CFGB	
C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1cccnc1	5679650	YVCGSIYKDPGLJU-XMHGGMMESA-N	297.358	2.618	50	40	CFGB	
C[C@H]1CCC/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])C1	4587764	YADQAGXYGFANHJ-MKNMWBPTSA-N	275.308	2.891	50	40	CFGB	
C[C@@H](COc1ccccc1Cl)OC(=O)CCl	2044334	JYFWZRAGTUNCMX-QMMMGPOBSA-N	263.120	2.889	50	40	CFGB	
CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@@H]1CBr	952958973	MBVGCPYCPWCIAS-HLTSFMKQSA-N	276.174	2.779	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2cccs2)c1	566503	YKEUBRXILKQUAP-CXUHLZMHSA-N	288.372	2.894	50	40	CFGB	
CC[C@@H](/C=N/NC(=O)c1ccccn1)c1ccccc1	5467586	OZGALYBSZABYMJ-HTMJNSLASA-N	267.332	2.991	50	40	CFGB	
COc1ccc([C@@H]2CCCN2C(=O)CCl)cc1OC	68581010	SBCVXVOZSHFRJE-NSHDSACASA-N	283.755	2.606	50	40	CFGB	in-vitro
CC(C)Oc1ccc(C(=O)N/N=C2/CCn3cccc32)cc1	84621972	YQYZENFUGFAXID-SDXDJHTJSA-N	297.358	2.813	50	40	CFGB	
O[C@H](CBr)c1ccc(Br)cc1	36222340	ZOCCHBFOKYCUST-MRVPVSSYSA-N	279.959	2.877	50	40	CFGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(O)c1	3233956	YJUPDVAOGVPEBO-SYLKQSLASA-N	284.359	2.994	50	40	CFGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)CC#N)cc21	208206392	IVPJHSORNDLKJO-MKFNJMOCSA-N	298.390	2.772	50	40	CFGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1	816665	VOSCMEYCQIBOOP-XNTDXEJSSA-N	287.275	2.650	50	40	CFGB	
CCCCCC[C@H](C(=O)NN)P(=O)(OCC)OCC	1720856	GGYRYZGJGCOIFN-LLVKDONJSA-N	294.332	2.581	50	40	CFGB	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CCl	37014290	IFFPFEMDSDPIPJ-JTQLQIEISA-N	255.745	2.957	50	40	CFGB	
CC/C(C)=N/NC(=O)CSCCc1ccccc1	408724917	CDGFFBJAZUCZJZ-NTCAYCPXSA-N	264.394	2.864	50	40	CFGB	
COC(=O)C(C)(C)C(=O)[C@H](Br)c1ccccc1	4751464	KQEWXZSJNNSOTI-SNVBAGLBSA-N	299.164	2.891	50	40	CFGB	
C/C(=N/NC(=O)COc1cccc(C)c1)c1ccco1	33395804	GXNRDBSRNAMEEK-VBKFSLOCSA-N	272.304	2.507	50	40	CFGB	
CCN(C(=O)CCl)[C@@H]1CCCN(Cc2ccccc2)C1	79393708	IATOYQCUOIQASY-OAHLLOKOSA-N	294.826	2.738	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccccc2F)cc1	3241920	BSOLFVXAABYXNG-WOJGMQOQSA-N	285.322	2.656	50	40	CFGB	
C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccccc1	243862	KEROMGGTCHNRIM-VLURKWGBSA-N	268.316	2.604	50	40	CFGB	
C/C(=N/NC(=O)c1ccccc1)c1ccccc1O	100000812	QOTDSLFPCMBSIA-WJDWOHSUSA-N	254.289	2.546	50	40	CFGB	
O=C(CCCc1ccccc1)NN=C(CCl)CCl	100244288	SFNPHELUPRYCQC-UHFFFAOYSA-N	287.190	2.959	50	40	CFGB	
C[C@H](/C=N/NC(=O)c1ccccc1O)c1ccccc1	4827608	KZHASIFTQVZBGT-PBSOMRJOSA-N	268.316	2.912	50	40	CFGB	
O=[P@]1(N(CCCl)CCCl)OCCCN1Cl	5134115	OXWJXKSNQNYFAI-OAHLLOKOSA-N	295.534	2.750	50	40	CFGB	
COc1ccc(C(=O)N/N=C/c2cccc(F)c2)cc1	5720436	OYHRMYSXTQPGAW-LICLKQGHSA-N	272.279	2.598	50	40	CFGB	
C/C(N)=C(\C#N)C(=O)CSc1ccc(C)c(C)c1	104847159	VBOJFFHMQXQFNH-QBFSEMIESA-N	260.362	2.721	50	40	CFGB	
O=C1[C@H](Br)SC(=S)N1c1ccccc1	3120325	QWHGNRKVCULNMT-SSDOTTSWSA-N	288.191	2.772	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2cccnc2)c(C)c1C	58928074	OHPQQGNVTALLKZ-VCHYOVAHSA-N	267.332	2.771	50	40	CFGB	
CCOC(=O)/C(C#N)=C\Nc1ccc(F)cc1Cl	7697523	LZOSDKFWEZPOPE-FPLPWBNLSA-N	268.675	2.862	50	40	CFGB	
Cn1cccc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	408966362	LFHXVECIBNZJIX-GIJQJNRQSA-N	295.264	2.808	50	40	CFGB	
CC(C)NC(=O)c1ccc(CBr)cc1	1559372	CSIBQQXQVWSHML-UHFFFAOYSA-N	256.143	2.720	50	40	CFGB	
COc1ccc(NC(=O)CCCCl)c(OC)c1	6127355	VGGXJFNYBIOJEL-UHFFFAOYSA-N	257.717	2.661	50	40	CFGB	
CC(C)N(Cc1cnc(Cl)s1)C(=O)CCl	79421989	SZJAKTZQAROZMZ-UHFFFAOYSA-N	267.181	2.772	50	40	CFGB	
O=C/C(=C\N1CCCCC1)c1nc2ccccc2o1	3013041	WAZCGMZBNMILJR-ZRDIBKRKSA-N	256.305	2.854	50	40	CFGB	
CC(C)(C)NC(=O)[C@H](Br)C(C)(C)C	163891	HFBXIPPQGIROOF-ZETCQYMHSA-N	250.180	2.711	50	40	CFGB	
C[C@@H]1C(=O)[C@@H](Br)[C@H]2C[C@@H](O)CC[C@@]2(C)[C@H]1C	5014718	LIIFSZVNNQGFRU-TXHUDQKGSA-N	289.213	2.772	50	40	CFGB	
O=C(N/N=C\c1ccc(Cl)s1)c1ccncc1	12375008	VPCUBWLLUUZIQB-AUWJEWJLSA-N	265.725	2.560	50	40	CFGB	
CCOC(=O)Cc1ccc(NC(=O)CCCCl)cc1	675083844	ZZKCLHSWGCYSAJ-UHFFFAOYSA-N	283.755	2.750	50	40	CFGB	
O=C1OC(=O)c2cc(-c3ccccc3[N+](=O)[O-])ccc21	102509765	XTNGWLMGHJZOHD-UHFFFAOYSA-N	269.212	2.572	50	40	CFGB	
N#CC1=C(N)n2c(nc3ccccc32)[C@@H](C#N)C12CCCC2	1430687	AAVIBKNALXGLQD-GFCCVEGCSA-N	289.342	2.868	50	40	CFGB	
N#C/C(=C\c1ccc(Br)cc1)C(N)=S	1925590	JOJTVFIVYQYWGX-VMPITWQZSA-N	267.151	2.642	50	40	CFGB	
O=C(CCc1ccsc1)NNc1ccccc1[N+](=O)[O-]	10214158	BWROAUIAAVCGON-UHFFFAOYSA-N	291.332	2.732	50	40	CFGB	
CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1C	4166009	COYRUMDPMYWVPK-MRVPVSSYSA-N	264.375	2.792	50	40	CFGB	
O=C(N/N=C/C=C\c1ccccc1)c1cccnc1	13940923	SVJATTOEWSHGJI-KUZVYUEUSA-N	251.289	2.511	50	40	CFGB	
CN(C)c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)o1	408843622	GORNYYFZACWBIC-YVLHZVERSA-N	297.314	2.856	50	40	CFGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])n1	409382670	NDJAQCYFRSFDPI-MDWZMJQESA-N	296.286	2.656	50	40	CFGB	
O=C(N/N=C/c1ccco1)c1cc([N+](=O)[O-])ccc1Cl	11613910	LATOAPYETVDRSB-VGOFMYFVSA-N	293.666	2.605	50	40	CFGB	
Cc1sc(NC(=O)[C@@H](C)Br)c(C#N)c1C	12016192	VZMXUQCNOHGXKK-ZCFIWIBFSA-N	287.182	2.959	50	40	CFGB	
CO[C@H](C(=O)N/N=C/c1cccc(C)c1)c1ccccc1	354332	NHHHDIVLLXHWFP-IQFISFIMSA-N	282.343	2.833	50	40	CFGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1[C@@H]1C=CCCC1	546847	RMXGMFFYIQHSGJ-YGRLFVJLSA-N	270.332	2.690	50	40	CFGB	
CCCOc1ccc(/C=N/NC(=O)c2ccco2)cc1	2229456	GFUWKZWLWHPBPO-LFIBNONCSA-N	272.304	2.832	50	40	CFGB	
OCC12C[C@@H]3C[C@H](C1)CC(CBr)(C3)C2	16101901	GHYBKLVOEGRUQO-ZYANWLCNSA-N	259.187	2.960	50	40	CFGB	
C=C(C#N)[C@](O)(c1nccn1CCCC)C(F)(F)F	8725306	DFWBYMLNLHKYPM-NSHDSACASA-N	273.258	2.513	50	40	CFGB	
O=C(N/N=C\c1ccc(Br)o1)c1cccs1	32313335	KCKRPEQXFAQXRG-SDQBBNPISA-N	299.149	2.868	50	40	CFGB	
C=Cc1ccc([C@H](C)[Si](OC)(OC)OC)cc1	196731141	ZVDJGAZWLUJOJW-NSHDSACASA-N	252.386	2.850	50	40	CFGB	
COc1ccc(OC)c(/C=N/NC(=O)OC(C)(C)C)c1	61662	DZYQFKVYQSZJLZ-OQLLNIDSSA-N	280.324	2.562	50	40	CFGB	
COCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	3155985	XZICLGCJJZAQPS-LZYBPNLTSA-N	292.722	2.697	50	40	CFGB	
O=C(N/N=C\c1ccc(Cl)s1)c1ccccc1O	15938383	WFGLZPLUZLYDAH-AUWJEWJLSA-N	280.736	2.871	50	40	CFGB	
O=c1cc(CI)oc2ccccc12	1705535	IZOLWLLKLAXLSS-UHFFFAOYSA-N	286.068	2.728	50	40	CFGB	
CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)C2CCCC2)C1(C)C	48482270	IWBNOSHVEAPYQC-OLZOCXBDSA-N	278.396	2.562	50	40	CFGB	
CC/C(=N\NC(=O)c1cccs1)c1ccccc1O	5914766	MVPPMBKSNLOMPZ-RVDMUPIBSA-N	274.345	2.998	50	40	CFGB	
Cc1ccccc1CSCC(=O)N/N=C/c1cccnc1	408879673	CKAZIBWYANFJRP-VCHYOVAHSA-N	299.399	2.774	50	40	CFGB	
CCOc1cccc(/C=N\NC(=O)c2cccc(OC)c2)c1	408587011	DNBHROXOFZSKOA-PDGQHHTCSA-N	298.342	2.858	50	40	CFGB	
COc1ccc(C(=O)NNc2nc3ccccc3o2)cc1	35315278	MSURMTNSJLWIFI-UHFFFAOYSA-N	283.287	2.593	50	40	CFGB	
C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)C(C)(C)C	4502901	YYIOJRNHJVKXEV-GZTJUZNOSA-N	294.424	2.724	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(C)c2O)cc1	3102653	KXRLVTNVHINLGJ-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
N#CC(C#N)=CNc1ccc2c(c1)C(=O)c1ccccc1C2=O	5224788	QATPLMQSQMVYAM-UHFFFAOYSA-N	299.289	2.805	50	40	CFGB	
O=C(CCl)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	5785972	RYTMEIIXQFXCOX-UHFFFAOYSA-N	282.605	2.791	50	40	CFGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)cc1)C(N)=O	408870685	WJXUPAULXOOXSO-XNTDXEJSSA-N	280.302	2.809	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12	408809297	NSCQHQJABPSFTB-SERMCNLOSA-N	267.332	2.990	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	33855205	VSDLIHJTDGXZHW-BOPFTXTBSA-N	297.314	2.596	50	40	CFGB	
NNC(=O)/C=C/c1ccc(-c2cccc(Cl)c2)o1	226256162	VPHCLTYEJHWEGV-FNORWQNLSA-N	262.696	2.603	50	40	CFGB	
C/C(=N\NC(=O)COc1ccccc1C)c1cccs1	584430	QDJHCYUEUHTKRP-FOWTUZBSSA-N	288.372	2.976	50	40	CFGB	
CC[C@H](Br)C(=O)Nc1nc(C)c(C)s1	4939779	HEUULZRLHIGHPD-ZETCQYMHSA-N	277.187	2.872	50	40	CFGB	
O=C(NNc1nnc(-c2ccccc2)s1)c1ccccc1	8616227	UPBBTEPDSZJLAF-UHFFFAOYSA-N	296.355	2.962	50	40	CFGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(N)=S	59398957	IVEKBWJHSGDUPS-XBXARRHUSA-N	256.252	2.898	50	40	CFGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cnccn1	13892776	XIEXXBJDAMXSQU-FMQZQXMHSA-N	295.129	2.547	50	40	CFGB	
CCc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)s1	17022443	MNGVTZIWKJPWSQ-OBIHZWKSSA-N	290.388	2.513	50	40	CFGB	
Cc1nc2ccc(Cl)cn2c1C(=O)CBr	33359116	IBYJKNIAERIGQL-UHFFFAOYSA-N	287.544	2.874	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)Nc1ccccc1	498162	SFYTVNQIYMHUBC-LFIBNONCSA-N	269.304	2.851	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1cc2c3c(c1)CCCN3CCC2	16981525	KAAPRTWJDNWDGB-WJDWOHSUSA-N	296.370	2.855	50	40	CFGB	
Cc1ccc2c(c1)[C@H](N1CCC(C(=O)O)CC1)C(C#N)=CN2	1775968306	XYZMRFQFRLURJH-MRXNPFEDSA-N	297.358	2.666	50	40	CFGB	
O[C@@H](CBr)c1cccc(Br)c1	12506182	GWBCVCDOHLICHZ-QMMMGPOBSA-N	279.959	2.877	50	40	CFGB	
COc1cccc(C=O)c1OCCCBr	8731603	LPCYIGRROFPSJJ-UHFFFAOYSA-N	273.126	2.672	50	40	CFGB	
O=[N+]([O-])c1cccc(/C=N/N=c2/[nH]c(CCl)cs2)c1	5274519	UBNJOXWYTQDQJB-AWNIVKPZSA-N	296.739	2.658	50	40	CFGB	
C[C@@H](Cl)C(=O)Nc1ccc2c(c1)OC(F)(F)O2	19803679	HEJRVSZXCMJVSZ-RXMQYKEDSA-N	263.627	2.574	50	40	CFGB	in-vitro
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1	408795342	MCRZHEFGNSYNQG-PKNBQFBNSA-N	268.272	2.834	50	40	CFGB	
CCC[C@@H](C(=O)NN)N1c2ccccc2C(C)=CC1(C)C	223220079	PULYBDTZYWFCHG-HNNXBMFYSA-N	287.407	2.847	50	40	CFGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cccs2)cc1	193793871	CEUWSIXKTUTUEC-LCYFTJDESA-N	298.367	2.980	50	40	CFGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(O)c1	6898631	OGXIDNIYWUGBAL-UKTHLTGXSA-N	294.310	2.946	50	40	CFGB	
Cc1ccc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)cc1	100004476	LGJYWVBDAIPQIH-LGMDPLHJSA-N	272.348	2.860	50	40	CFGB	
C/C(=N/NC(=O)CCc1ccccc1)c1ccc(O)cc1O	100005616	ONWMRLLBRCOTOY-PDGQHHTCSA-N	298.342	2.571	50	40	CFGB	
C[C@]12CC[C@H]([C@@H](Br)C1=O)[C@@]2(C)CCC(=O)O	108359666	UHBNKGHKJHETSR-QNKRVWAESA-N	289.169	2.620	50	40	CFGB	
CN(Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CCl)CC1	100178624	UWEYLTSPTAAWRV-GASCZTMLSA-N	294.826	2.785	50	40	CFGB	
COc1ccc(OCC(=O)N/N=C/[C@@H]2CC=CCC2)cc1	5415523	ZLPDZWTYLKVIDP-VVBXCHJUSA-N	288.347	2.532	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)c2cc(C)oc2C)cc1	32576826	YHURJBWRKUZKGY-SXGWCWSVSA-N	256.305	2.969	50	40	CFGB	
O=C(CBr)N[C@@H](c1ccccc1)C1CC1	41721665	SAXUIZOGVFAIIO-LBPRGKRZSA-N	268.154	2.649	50	40	CFGB	
C[C@@]12CC[C@H]([C@@H](Br)C1=O)[C@@]2(C)CCC(=O)O	225450249	UHBNKGHKJHETSR-COYOAVQYSA-N	289.169	2.620	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)Cc2cccs2)cc1	5024718	GNRONNDZSIBMII-LFIBNONCSA-N	288.372	2.840	50	40	CFGB	
CSC1=C(C#N)[C@@H](c2ccc(C)s2)CC(=O)N1	506440	OEKSPBCHKUPWRQ-QMMMGPOBSA-N	264.375	2.758	50	40	CFGB	
C/C(=N\NC(=O)CCc1ccccc1)c1ccc(O)cc1	4587756	KYWFNJPTJSLTJQ-QGOAFFKASA-N	282.343	2.865	50	40	CFGB	
NNC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1	4575849	DTWIRTZGLXHXOY-UHFFFAOYSA-N	267.288	2.564	50	40	CFGB	
CCc1ccc(CC(=O)N/N=C/c2ccco2)cc1	409365008	SBMXEWUCCBVNSV-LFIBNONCSA-N	256.305	2.535	50	40	CFGB	
N#C/C(=C/c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2	409365395	QQZSTJDOVWLCSE-XGICHPGQSA-N	281.267	2.891	50	40	CFGB	
CCOC(=O)Cn1c(C)c(C=C(C#N)C#N)c2ccccc21	408808185	DOJVHCDWYALCDO-UHFFFAOYSA-N	293.326	2.943	50	40	CFGB	
C[C@H](I)C(=O)Nc1ccccc1F	72226315	PFSODJRWWKVHEN-LURJTMIESA-N	293.079	2.588	50	40	CFGB	
O=C(COCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1	247341969	SLOGQSHORIGNGV-UHFFFAOYSA-N	287.271	2.717	50	40	CFGB	
CC1CCN(C(=O)/C(C#N)=C/c2ccccc2)CC1	255907285	DMCZZBVVMSLMJH-RVDMUPIBSA-N	254.333	2.852	50	40	CFGB	
O=C(N/N=C/c1ccc(O)c(O)c1)c1ccccc1Cl	249475	BPBCYOWFGVSDPA-LZYBPNLTSA-N	290.706	2.515	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1[N+](=O)[O-]	102180163	PBTGERFGSPGQIL-CBYOKJCSSA-N	285.303	2.523	50	40	CFGB	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)NC1CCCC1	570726	QCVCSZDQSWAFBV-GDNBJRDFSA-N	294.354	2.971	50	40	CFGB	
COC(=O)[C@H](Cl)c1cc(Br)ccc1OC	50978045	CQDIBJMDPUYDSI-SECBINFHSA-N	293.544	2.911	50	40	CFGB	
Cc1ccc(-n2nc(C)c(NC(=O)CCl)c2C)cc1	2619086	KGFGQTIOBSNTKL-UHFFFAOYSA-N	277.755	2.975	50	40	CFGB	
COc1ccc(N2CCCC2)c(NC(=O)[C@@H](C)Cl)c1	34776821	QCYOWMAYFZYBSX-SNVBAGLBSA-N	282.771	2.861	50	40	CFGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Br	5362145	RXPOHZXDNWKYCL-SSDOTTSWSA-N	287.113	2.625	50	40	CFGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccn2C)cc1	205795454	LSFOEBFVQZQRTL-BENRWUELSA-N	281.315	2.579	50	40	CFGB	
CCCc1n[nH]c2c1[C@@H](c1ccc(C)cc1)C(C#N)=C(N)O2	51747	PAQWOLAOMAWLFS-AWEZNQCLSA-N	294.358	2.889	50	40	CFGB	
C[C@@](O)(c1ccccc1)[C@@H](CCl)N1CCCCC1	1754417	WLVDUDMXGSZKDF-HUUCEWRRSA-N	267.800	2.987	50	40	CFGB	
N#C/C(C(=O)NCc1ccc(Cl)cc1)=C(/O)CCl	100433880	FHGNBNXLWUEIHN-KHPPLWFESA-N	285.130	2.531	50	40	CFGB	
Cc1c(C(=O)NNC(=O)c2ccccc2)oc2ccccc12	5824713	SKKRDZRBNVKHCI-UHFFFAOYSA-N	294.310	2.816	50	40	CFGB	
C[C@H]1C[C@@H]1c1ccc(/C=N/NC(=O)c2cccnc2)o1	8263493	LOYOEURRCWKGOQ-NMSHTQFMSA-N	269.304	2.562	50	40	CFGB	
C=CCOc1cccc(/C=N\NC(=O)c2ccco2)c1	83253266	NMDWYUNMFNJCQF-WJDWOHSUSA-N	270.288	2.608	50	40	CFGB	
CCO[Si](CCCC[C@H]1CO1)(OCC)OCC	195872186	HHPPHUYKUOAWJV-LBPRGKRZSA-N	262.422	2.604	50	40	CFGB	
N#CC(C#N)=CNc1ccnn1Cc1cccc(Cl)c1	15242133	DLIBUYOYMBPLHR-UHFFFAOYSA-N	283.722	2.928	50	40	CFGB	
CCN(CC)CCOC(=O)c1ccc(N=C=S)cc1	1666091	OEWIYUQCPIHWHB-UHFFFAOYSA-N	278.377	2.920	50	40	CFGB	
C[C@H]1Oc2ccccc2C=C1/C=N\NC(=O)c1cccnc1	13138626	GZAMTEIWYUEAFI-ZDFPAGSVSA-N	293.326	2.662	50	40	CFGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1	66747	CTILPMYYGZYYLB-OAHLLOKOSA-N	264.284	2.610	50	40	CFGB	biogenic,in-vitro
CCCCC[C@@H]1C(C#N)(C#N)C(C#N)=C(N)[C@]1(C)C(C)=O	4730109	TYCWMFATFKKFOU-DZGCQCFKSA-N	284.363	2.562	50	40	CFGB	
CSc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1	58624867	ADUSCQYKGBBKTI-GZTJUZNOSA-N	285.372	2.958	50	40	CFGB	
N#C/C(=C\c1ccccc1)C(=O)NCc1ccccc1	4474559	GUURNUUYOORXRM-LFIBNONCSA-N	262.312	2.910	50	40	CFGB	
C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1cccs1	4864367	UPCRRIAMIKZARJ-LICLKQGHSA-N	298.371	2.858	50	40	CFGB	
CCOc1cc(/C=N/NC(C)=O)cc(Cl)c1OCC	409016588	DTRWZRVKTJOULK-OVCLIPMQSA-N	284.743	2.607	50	40	CFGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccncc1	5360952	OSYWQINRVLCPDL-VCHYOVAHSA-N	278.315	2.635	50	40	CFGB	
O=C(N/N=C/c1ccco1)c1cccc2cc[nH]c12	527514	ROQGQGGGEXNQGU-CXUHLZMHSA-N	253.261	2.525	50	40	CFGB	
CC(C)=C[C@@H]1[C@H](C(=O)NNc2nc(C)cc(C)n2)C1(C)C	65503296	JFAQVSKTJLSZHY-CHWSQXEVSA-N	288.395	2.775	50	40	CFGB	
C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(C#N)cc1	5020627	BJSNWMTVCDCABK-WOJGMQOQSA-N	281.315	2.922	50	40	CFGB	
CCC/C=N/NC(=O)COc1ccc(Cl)cc1	5174406	FXSOZYOSIJFRSG-RIYZIHGNSA-N	254.717	2.621	50	40	CFGB	
CC(C)Oc1ccccc1/C=N\NC(=O)c1ccncc1	198245563	KZLKPGWXGPJPMV-WQRHYEAKSA-N	283.331	2.633	50	40	CFGB	
O=C(CCc1ccccc1)N/N=C/c1ccccc1F	5946845	DEHKLURSLPEFJC-LDADJPATSA-N	270.307	2.909	50	40	CFGB	
O=P(C/C=C/CO)(c1ccccc1)c1ccccc1	1584315	ZPBRPTHFEIEKKL-BQYQJAHWSA-N	272.284	2.549	50	40	CFGB	
COc1ccccc1NC(=O)NNc1ccccc1F	12819220	FWQZBTAUCASLQD-UHFFFAOYSA-N	275.283	2.983	50	40	CFGB	
CC(C)[C@H](Br)C(=O)N1CCC[C@@H](C)C1	19427652	GELBNQNILVXHBL-ZJUUUORDSA-N	262.191	2.664	50	40	CFGB	in-vitro
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Br	5362168	RXPOHZXDNWKYCL-ZETCQYMHSA-N	287.113	2.625	50	40	CFGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CC#N)c2C)c1	28216548	PIVUNIJQBYQCBF-YBFXNURJSA-N	294.358	2.766	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)o1	100217841	ZCIIYIQURJMPDZ-DGJOXTESSA-N	260.337	2.864	50	40	CFGB	
CCCC/C(C)=N/NC(=O)C(=O)Nc1ccccc1C	58885874	NKBMJLAIODIBEW-SFQUDFHCSA-N	275.352	2.616	50	40	CFGB	
O=C(CBr)c1cccc2ccncc12	199752142	NVSHCEKPZULYKQ-UHFFFAOYSA-N	250.095	2.812	50	40	CFGB	
CCO[Si](CCO[Si](C)(C)C)(OCC)OCC	575182246	NONSUWWNUOCOLE-UHFFFAOYSA-N	280.513	2.886	50	40	CFGB	
O=[N+]([O-])c1c(CCl)nc2ccc(Br)cn12	20358146	RMHRTCYJCAYXMX-UHFFFAOYSA-N	290.504	2.744	50	40	CFGB	
COc1ccc(OC)c(C=NNC(=O)c2cccc(C)c2)c1	23397277	FSPWHJNLZIVVFW-UHFFFAOYSA-N	298.342	2.776	50	40	CFGB	
CC(C)[C@H](Br)C(=O)NCc1ccccc1	9646669	UVDSXPGCKZKVMG-NSHDSACASA-N	270.170	2.722	50	40	CFGB	
CC(C)/C(=N/NC(=O)[C@@H](O)c1ccccc1)c1ccccc1	30948357	LRCYHHNWXKEGMJ-DOMQTXCISA-N	296.370	2.897	50	40	CFGB	
CCOc1cccc(/C=N\NC(=O)c2ccoc2C)c1	32573485	KWUNHQOYABATJQ-YBEGLDIGSA-N	272.304	2.751	50	40	CFGB	
CN(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1	77032183	QLENQJRALFNHGJ-UHFFFAOYSA-N	280.324	2.695	50	40	CFGB	
Cn1c2[n+](c3ccccc31)C[C@](C)(CBr)S2	500699	IUNZAZMGDPTXGD-LBPRGKRZSA-N	298.229	2.725	50	40	CFGB	
CCOC(=O)N/N=C/c1ccc(OCC)c(OCC)c1	1712952	MZUBHDJKOPNTQD-XNTDXEJSSA-N	280.324	2.564	50	40	CFGB	
O=C(N/N=C/Cc1ccccc1)N/N=C/Cc1ccccc1	4706187	NDZZRDLLIJFIDE-JIBZRZDWSA-N	294.358	2.743	50	40	CFGB	
COc1ccc2c3c(ccc2c1)[C@H]1C(=O)OC(=O)[C@@H]1CC3	104253658	RAPPFGSGWRDTDR-HUUCEWRRSA-N	282.295	2.578	50	40	CFGB	
CC(C)Oc1ccccc1/C=N\NC(=O)c1ccco1	408600616	DXQKOIHYGGLHRA-YBEGLDIGSA-N	272.304	2.831	50	40	CFGB	
O=C1OC(=O)c2ccccc2/C1=C\c1ccccc1C(=O)O	97962868	XUCMCENJRYTIIE-NTEUORMPSA-N	294.262	2.622	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/c2ccc(C)cc2)cc1	585314	VDFCRMZPKGZHDN-LDADJPATSA-N	282.343	2.696	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(C)cc1)c1cccc(N)c1	112540	NKLTWCGQPVPVPM-LDADJPATSA-N	267.332	2.731	50	40	CFGB	
O=C(Cl)CCCCCN1C(=O)c2ccccc2C1=O	2545699	KOQCISGPATVUJH-UHFFFAOYSA-N	279.723	2.608	50	40	CFGB	
CCCC[C@H](Br)C(=O)Nc1cc(C)on1	9646766	UVJJWPPGTSWCSZ-QMMMGPOBSA-N	275.146	2.875	50	40	CFGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(C)o2)c1	408590847	QSGNUMCNHOZMOO-GZTJUZNOSA-N	284.315	2.917	50	40	CFGB	
Fc1cccc(C2=NO[C@@H](CBr)C2)c1	217841592	GKPHRMJFAZFZQH-SECBINFHSA-N	258.090	2.714	50	40	CFGB	
COc1ccc(OC)c(/C=N\NC(=O)c2ccc(C)cc2)c1	38204179	MOIFTVKURZXFBP-WQRHYEAKSA-N	298.342	2.776	50	40	CFGB	
Fc1ccccc1C1=NO[C@@H](CBr)C1	217841436	YINLLFKTRKNDHF-SSDOTTSWSA-N	258.090	2.714	50	40	CFGB	
CCC[C@H](C(=O)NN)N1c2ccccc2[C@@H](C)CC1(C)C	223221384	CQBFVYFOVUPKQT-SWLSCSKDSA-N	289.423	2.937	50	40	CFGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)OCC)cc1	142371540	HMUFXSDJGSRCOW-JLHYYAGUSA-N	257.289	2.721	50	40	CFGB	
O=C(N/N=C/c1ccco1)c1ccc(N2CCCC2)cc1	7384221	NNGYHUDLYIOVHY-SFQUDFHCSA-N	283.331	2.644	50	40	CFGB	
CCCCC(=O)Oc1cccc(/C=C(\C#N)C(=O)OC)c1	1791005	SQRGYQUHJRHQGW-UKTHLTGXSA-N	287.315	2.862	50	40	CFGB	
Cc1cc(C)c(/C=N/NC(=O)c2cc(O)cc(O)c2)c(C)c1	13321975	PEXSPOLXPQYHPW-GIJQJNRQSA-N	298.342	2.787	50	40	CFGB	
COC(=O)N/N=C(\C)c1cccc(Br)c1	4675197	BXIOSVBQVHINGQ-KPKJPENVSA-N	271.114	2.529	50	40	CFGB	
Cc1cc(Cl)ccc1-n1c(C)cc(C(=O)NN)c1C	223701891	GPUQYIGIUBKZCY-UHFFFAOYSA-N	277.755	2.659	50	40	CFGB	
CC(C)/C=N/NC(=O)COc1ccc2ccccc2c1	5380220	IXMVOZPOUSFCHP-LICLKQGHSA-N	270.332	2.977	50	40	CFGB	
CN(C)C[C@]1(C)CC(=O)[C@@H](Br)C(C)(C)C1	1675338	MBSOHHNBDYTCPS-ZYHUDNBSSA-N	276.218	2.707	50	40	CFGB	
CCCCn1nc(C)c(/C=C(\C#N)C(=O)O)c1Cl	24100148	BHZAYWRDTBQIPW-RMKNXTFCSA-N	267.716	2.637	50	40	CFGB	
CC(C)Oc1ccccc1/C=N/NC(=O)c1cccnc1	6538986	FHWRZFGVEGCTSO-WOJGMQOQSA-N	283.331	2.633	50	40	CFGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(N2CCCCCC2)o1	6830309	HUQWXDZHWPUEEM-QBFSEMIESA-N	287.363	2.655	50	40	CFGB	
Oc1cc(CCl)nc2c(-c3ccccc3)cnn12	6658104	GFAXEVGBSZTYNH-UHFFFAOYSA-N	259.696	2.841	50	40	CFGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccco1	96482328	LJWPCPOOPCKESJ-LUAWRHEFSA-N	268.272	2.834	50	40	CFGB	
CC1=C/C(=N\NC(=O)NCC(F)(F)F)CC(C)(C)C1	84677802	QHZHNKQEGGLTHV-RQZCQDPDSA-N	277.290	2.970	50	40	CFGB	
FC1(F)Oc2cccc(CCBr)c2O1	34572137	JYEQNJYUQHXXBG-UHFFFAOYSA-N	265.053	2.946	50	40	CFGB	
CCOC(=O)N/N=C/c1cc(Br)cs1	267789	ISEALTRSDQJYJZ-ONNFQVAWSA-N	277.143	2.591	50	40	CFGB	
C/C=N/NC(=O)CSc1nc2ccccc2s1	4117908	LJMICSQURLKSRZ-SWGQDTFXSA-N	265.363	2.510	50	40	CFGB	
C[C@@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1ccncc1	503591	WVWCDHDNDGETQS-MKFNJMOCSA-N	293.326	2.662	50	40	CFGB	
CCCCP(=O)(c1ccccn1)c1ccccn1	8015467	ZZHOGAAFVVFDPA-UHFFFAOYSA-N	260.277	2.591	50	40	CFGB	
CCOc1cccc(/C=N\NC(=O)c2ccc(C)cc2)c1O	4724075	TZCLOBRRSMPERT-WQRHYEAKSA-N	298.342	2.863	50	40	CFGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2)c(O)c1	408591925	WMESZWIJWARLEV-WOJGMQOQSA-N	298.342	2.943	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C\c2ccccc2)cc1C	32675362	GWQMAAFAFCEWTA-WQRHYEAKSA-N	282.343	2.833	50	40	CFGB	
CC[C@@H](NC(=O)OC(C)(C)C)c1noc(CCl)n1	70453700	ZABXNZKIEOZYCX-SSDOTTSWSA-N	275.736	2.784	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2cc(C)ccc2C(C)=CC1(C)C	223201313	BOIYWXDAHNQPRO-AWEZNQCLSA-N	287.407	2.765	50	40	CFGB	
Cc1cc(Cl)c(O)c(/C=N/NC(=O)c2ccncc2)c1	569107	NBQBRSXBGFMWFF-CAOOACKPSA-N	289.722	2.513	50	40	CFGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1O	5677137	GNLXYQYPXVSRCD-WRIGKJOHSA-N	272.348	2.669	50	40	CFGB	
CC1(C)C(C(=O)NNc2ccc([N+](=O)[O-])cc2)C1(C)C	5727652	NPCGPJKHTFSNTM-UHFFFAOYSA-N	277.324	2.720	50	40	CFGB	
Nc1ccc(OCCCl)c(OCCCl)c1	3014842	XKSQRACHHFEXSF-UHFFFAOYSA-N	250.125	2.504	50	40	CFGB	
O=C(NN(Cc1ccccc1)c1ccccc1)[C@H]1CCOC1	60128384	MUTMXBHSGJHNIB-INIZCTEOSA-N	296.370	2.761	50	40	CFGB	
CCC/C=N/NC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1C	4013112	RSTKVJGOEOERSQ-OVCLIPMQSA-N	288.307	2.900	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C2/C[C@H]3C=CC[C@H]23)c1	97991810	QYTSNTXESMKIDG-NWNZURPUSA-N	284.359	2.750	50	40	CFGB	
C[C@H]1C(=O)[C@@H](Br)[C@H]2C[C@@H](O)CC[C@@]2(C)[C@@H]1C	5014719	LIIFSZVNNQGFRU-JYMMUIJESA-N	289.213	2.772	50	40	CFGB	
O=C(CCBr)OCCCc1ccccc1	1566523	ZESHVPGFOJOUFP-UHFFFAOYSA-N	271.154	2.947	50	40	CFGB	
O=C(NCCCl)c1ccc(Cl)c(Cl)c1	1621650	WRZHORZVAHONJR-UHFFFAOYSA-N	252.528	2.962	50	40	CFGB	
C=CCOC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(F)cc1	54216558	LNUFLZKUYVEEHH-XYOKQWHBSA-N	297.289	2.852	50	40	CFGB	
COCCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	6579872	DHPRZMLDCSJVFA-UXBLZVDNSA-N	299.157	2.663	50	40	CFGB	
CC/C(=N\NC(=O)c1ccncc1)c1ccccc1	5231315	ZYTSJFCFUJLEFG-SAPNQHFASA-N	253.305	2.626	50	40	CFGB	
COO[C@@](OC)(C(=O)c1ccccc1)c1ccccc1	68604960	OICADAIKWCNQJV-MRXNPFEDSA-N	272.300	2.947	50	40	CFGB	
Cc1ccnc(NC(=O)/C(C#N)=C/c2ccccc2)c1	131000614	AMAWCCFKIOJNBB-GXDHUFHOSA-N	263.300	2.936	50	40	CFGB	
Cc1cc2c(cc1C)N([C@@H](C)C(=O)NN)C(C)(C)C[C@@H]2C	223195982	LDJLZHKNEAPHOO-STQMWFEESA-N	289.423	2.774	50	40	CFGB	
Cn1nc(NC(=O)CCCCl)c2ccccc21	95215805	JSPWCMPPIPNBEQ-UHFFFAOYSA-N	251.717	2.531	50	40	CFGB	
C[C@@]12CC[C@@H](CC1=O)[C@]2(C)CI	245204244	FOPVQQUAABFQPF-SFGNSQDASA-N	278.133	2.817	50	40	CFGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	3317076	CWQWNDSPVDAYJB-UKTHLTGXSA-N	294.310	2.946	50	40	CFGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccco2)cc1	5660569	SPKFAOSBBHXWJV-UKTHLTGXSA-N	296.282	2.612	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(C)c1O	16700243	DQPXKXYOFRTNFC-RIYZIHGNSA-N	296.326	2.825	50	40	CFGB	
O=C(CCCCCl)Nc1ccc([N+](=O)[O-])cc1	20474232	FCEDLTRFGDDBLV-UHFFFAOYSA-N	256.689	2.942	50	40	CFGB	in-vitro
C=CCOP(=O)(OCCCl)OCCCl	1602470	DAAUFCCLHPYMRU-UHFFFAOYSA-N	263.057	2.808	50	40	CFGB	
O=C(CCCl)Nc1nnc(-c2ccccc2)s1	7319209	FSVYSPFIKZMXOF-UHFFFAOYSA-N	267.741	2.773	50	40	CFGB	
CCCNC(=O)/C(C#N)=C/c1cccc(OC(C)C)c1	4575179	JEJQNTADKJUUPO-NTEUORMPSA-N	272.348	2.907	50	40	CFGB	
COC(=O)c1ccc2sc(CBr)nc2c1	140813361	DODWLYJDVXHYMC-UHFFFAOYSA-N	286.150	2.978	50	40	CFGB	
O=C(NNC(=O)c1cccc2ccccc12)c1ccco1	260052	ZAUHTDLLPMHZCT-UHFFFAOYSA-N	280.283	2.508	50	40	CFGB	
N#CC1=C(N)Oc2ccccc2[C@@H]1c1cccs1	7516630	KFNLVAYPPWTYDO-ZDUSSCGKSA-N	254.314	2.966	50	40	CFGB	
CCOc1ccccc1/C=N\NC(=O)COc1ccccc1	32181183	AZSUUFYOSYJOMH-PDGQHHTCSA-N	298.342	2.614	50	40	CFGB	
Cc1cn(-c2ccc(C(=O)CBr)cc2F)cn1	95911118	RUKFUJMCOFCBKE-UHFFFAOYSA-N	297.127	2.897	50	40	CFGB	
O=C(NN=Cc1ccncc1)Nc1cccc(Cl)c1	16398988	VMWULKRPENCDJH-UHFFFAOYSA-N	274.711	2.891	50	40	CFGB	
CCCCC(=O)N/N=C\C=C\c1ccccc1[N+](=O)[O-]	17424271	LROABCXZTALKMX-XWDZFIQBSA-N	275.308	2.900	50	40	CFGB	
O=C(NCCc1ccccc1)NNc1ccccc1	40554317	QXKJZCWAOIRFJW-UHFFFAOYSA-N	255.321	2.555	50	40	CFGB	
CCCCNC(=O)/C(C#N)=C\c1ccc(F)c([N+](=O)[O-])c1	98053036	GGPSCRFYINACRL-XFFZJAGNSA-N	291.282	2.557	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)c1	3251344	RNYUTWRHCGVHEQ-GIJQJNRQSA-N	296.326	2.796	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)o1	220038	UJQSNNLMUBXCNI-LZYBPNLTSA-N	292.722	2.771	50	40	CFGB	
C/C(=N\NC(=O)C1CC1)c1nc2ccccc2n1C(F)F	53887232	KSNUPQWSWRJBCV-QGMBQPNBSA-N	292.289	2.682	50	40	CFGB	
O=C(CNc1ccccc1)NN=C1CCCCCC1	6297462	SFUHLFYCSQRNKY-UHFFFAOYSA-N	259.353	2.925	50	40	CFGB	
BrCC[C@H](Br)[C@@H]1CCCO1	242750763	ZZSZZAOXIMKHDM-BQBZGAKWSA-N	271.980	2.714	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2cc(C)ccc2[C@H](C)CC1(C)C	260616188	GNDILWXLGMSXND-TZMCWYRMSA-N	289.423	2.856	50	40	CFGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	262675	MARWHLOHAXQPHF-JLHYYAGUSA-N	294.310	2.946	50	40	CFGB	
O=C(NNC(=O)c1ccccc1Cl)c1ccccc1F	6402473	CUIPXFXUSXMDFR-UHFFFAOYSA-N	292.697	2.554	50	40	CFGB	
O=C(NNC(=O)C1CCCCC1)c1cccc(Cl)c1	512427	GNKKICQZPKKRJS-UHFFFAOYSA-N	280.755	2.681	50	40	CFGB	
COc1ccc([C@H](NC(=O)CCl)C(C)C)cc1	12505006	JNLOFGIIULWZQS-CYBMUJFWSA-N	255.745	2.747	50	40	CFGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1	1450789	SUDGDZWBAIMMFD-JLHYYAGUSA-N	299.330	2.951	50	40	CFGB	
C[C@]12C(=O)OC(=O)[C@@H]1C1c3ccccc3C2c2ccccc21	103570725	YFHAQHCIPCPOBW-IADFQQGMSA-N	290.318	2.983	50	40	CFGB	
Cc1ccc(C(=O)NN=C(CCl)CCl)cc1	100244221	UINNJZTWPONXPZ-UHFFFAOYSA-N	259.136	2.558	50	40	CFGB	
O=C(CSc1nc2ccccc2[nH]1)NNc1ccccc1	26569979	DNWZWURADCQVCO-UHFFFAOYSA-N	298.371	2.798	50	40	CFGB	
COc1cccc(C(=O)/C(C#N)=C\c2cccn2C)c1	96669736	PRFRVTWPXPACEY-LCYFTJDESA-N	266.300	2.824	50	40	CFGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccco2)cc1	194562823	XQUYBBHNIHGWIB-LCYFTJDESA-N	282.299	2.512	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccco2)c1C	12844009	HDQRWYCSVPNALV-RQZCQDPDSA-N	286.331	2.734	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(C)cc2O)cc1	223207	FMAVRARRUXNIPW-VXLYETTFSA-N	297.358	2.571	50	40	CFGB	
CSc1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1	371060	BYKJWDHRSISYMI-MHWRWJLKSA-N	286.356	2.878	50	40	CFGB	
O=c1[nH]c(C(Cl)Cl)nc2sc3c(c12)CCC3	387988	NBNAJVHXPJVTLQ-UHFFFAOYSA-N	275.160	2.950	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1cccc(Br)c1	6827598	QGPWXAFZRXAUTE-WDZFZDKYSA-N	293.164	2.881	50	40	CFGB	
CCOC(=O)/C(C#N)=C\Nc1ccccc1Cl	100205873	SWCQAAUPCCUXBT-HJWRWDBZSA-N	250.685	2.722	50	40	CFGB	
Cc1c(C(=O)NN=C2CCCCC2)cccc1[N+](=O)[O-]	408785449	GABLEQOILWJFJY-UHFFFAOYSA-N	275.308	2.953	50	40	CFGB	
CN(Cc1ccccc1)C[C@H]1CCCN(C(=O)CCl)C1	79414846	VHDHGEATWBJRCF-OAHLLOKOSA-N	294.826	2.596	50	40	CFGB	
CNC(=S)P(=O)(c1ccccc1)c1ccccc1	159104	WSPSAWPEAZMERX-UHFFFAOYSA-N	275.313	2.505	50	40	CFGB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)N/N=C/N(C)C	5752018	HQSDMDPBSJPNOS-GNKYHQRESA-N	269.389	2.678	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1ccc(Br)cc1	13476226	CERDTJDPHMXSTI-CMDGGOBGSA-N	295.136	2.832	50	40	CFGB	
C/C(=N/NC(N)=O)C1c2ccccc2Cc2ccccc21	5503147	QEODUBYVEDIHBR-ODLFYWEKSA-N	279.343	2.767	50	40	CFGB	
CC1(C)Oc2ccc(C#N)cc2[C@@H](O)[C@@H]1Br	161264	PKZZJLKUYUVLMJ-MNOVXSKESA-N	282.137	2.526	50	40	CFGB	
O=C(CSc1ccccc1)NNC(=O)C1CCCCC1	2658511	RZEJBDUPMPBWIB-UHFFFAOYSA-N	292.404	2.506	50	40	CFGB	
Cc1scc(C(=O)NN=C2CCN(C(C)C)CC2)c1C	55048417	NADYWPYMWZCCCV-UHFFFAOYSA-N	293.436	2.955	50	40	CFGB	
Cc1ccc(-c2ccc(C(=O)NN)o2)c(Br)c1	57353740	TUZVUDAERNZDEC-UHFFFAOYSA-N	295.136	2.621	50	40	CFGB	
BrCc1nc(Cc2ccccc2)no1	40448094	FOPYJLWRGUEFAC-UHFFFAOYSA-N	253.099	2.555	50	40	CFGB	
C/C(=N\NC(=O)COc1cc(C)ccc1C)c1ccccn1	6684616	QQYVEXMYSZVMER-XMHGGMMESA-N	297.358	2.618	50	40	CFGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(C#N)cc2)NC(=S)N1	409371965	NIQKADCGAGHKIP-CYBMUJFWSA-N	296.399	2.901	50	40	CFGB	
Cc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2C(=O)Cl)n1	70462569	QEJVNMZLOBPXMZ-UHFFFAOYSA-N	298.711	2.552	50	40	CFGB	
CCOC(=O)[C@H](CC)C(C)=NNC(=O)c1cccc(C)c1	245232562	XPNZNPZITSTAKW-CQSZACIVSA-N	290.363	2.690	50	40	CFGB	
O=C(N/N=C1\CCc2ccccc21)c1ccc(F)cc1	5876988	CVWPYGAIXWZDCN-OBGWFSINSA-N	268.291	2.906	50	40	CFGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccncc1	3585796	XXQCOXKLDJZVII-DJKKODMXSA-N	293.248	2.864	50	40	CFGB	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1	203826	DQOFBYHXPUTJSF-INIZCTEOSA-N	278.311	2.919	50	40	CFGB	
Cc1nn2c(=O)cc(CCl)[nH]c2c1-c1ccccc1	101973437	TYFXQCZUMKQJOH-UHFFFAOYSA-N	273.723	2.737	50	40	CFGB	
CCN1C(=C(C#N)C#N)Sc2ccc(OC)cc21	34631	WJEIOPNYOTWFOX-UHFFFAOYSA-N	257.318	2.886	50	40	CFGB	
O=C(N/N=C/c1ccco1)[C@@H]1C[C@H]1c1ccccc1	175829	QFXRPRZJDAYKGA-ORDDCKFQSA-N	254.289	2.533	50	40	CFGB	
Cc1ccc(NC(=O)C(=O)NN=C2CCCCCC2)cc1	8025616	VBXRNNKUSVUBGH-UHFFFAOYSA-N	287.363	2.760	50	40	CFGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(N)=O)cc2)c1	59133109	DWCAHKFGWZSROL-MHWRWJLKSA-N	292.338	2.966	50	40	CFGB	
Cn1cc(/C=N/NC(=O)c2ccccc2N)c2ccccc21	409040193	SNKVTBRNKOZDKC-VXLYETTFSA-N	292.342	2.524	50	40	CFGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)c([N+](=O)[O-])c1	33406096	DQZXQNYTXNOOCS-YFHOEESVSA-N	297.270	2.556	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1	408749553	QNZZGVYJSZUOBJ-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
CC(C)(C)OC(=O)NNC(=O)/C=C/c1ccccc1Cl	2658645	RHKJCDMLCUBGOV-CMDGGOBGSA-N	296.754	2.909	50	40	CFGB	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(N)=O	101227	UTNXVTBOJXHUAL-CLFYSBASSA-N	272.691	2.992	50	40	CFGB	
N#C/C(=C\c1cccc(F)c1)C(=O)NCc1ccco1	331780	WPEWHOHJFFHHEF-KPKJPENVSA-N	270.263	2.642	50	40	CFGB	
CCCOc1ccc(/C=N/NC(=O)c2ccccn2)cc1	2705139	STEXVIOPRNDBFR-LDADJPATSA-N	283.331	2.634	50	40	CFGB	
C[C@H]1Cc2cc(/C=N\NC(=O)Cc3ccccc3)ccc2O1	408710796	KXCHSNXEZQKKHK-QXGSTRBFSA-N	294.354	2.703	50	40	CFGB	
COc1ccccc1/C(C)=N\NC(=O)Cc1ccccc1	408738053	IKJZCFNTECQLIT-AQTBWJFISA-N	282.343	2.778	50	40	CFGB	
Cc1ccc(/C=C/C(=O)N/N=C/c2ccccc2O)cc1	409059376	WWKYDWFEJOEEFH-RJXLRZCOSA-N	280.327	2.864	50	40	CFGB	
CCCCCCn1c(CCl)cnc1S(C)(=O)=O	47219302	IDTHAJZNYKCXRX-UHFFFAOYSA-N	278.805	2.606	50	40	CFGB	
Cc1ccc(OCCBr)c([N+](=O)[O-])c1	15015161	QVSNACFHZRPEFY-UHFFFAOYSA-N	260.087	2.677	50	40	CFGB	
CC1CCC2(CC1)C(C#N)=C1SCCN1C(=O)[C@@H]2C#N	238431	PRLPJFMABIAJJO-VTWZXRTESA-N	287.388	2.647	50	40	CFGB	
CCc1sc(C(=O)NNC(=O)[C@H]2CC=CCC2)cc1C	12674865	ZZDDVVCKDRZFFD-NSHDSACASA-N	292.404	2.736	50	40	CFGB	
Cc1cccc(C(=O)N/N=C\c2ccc(C#N)cc2)c1	33319300	VJLOYLAPQHGOJG-WQRHYEAKSA-N	263.300	2.631	50	40	CFGB	
Cc1c(C(=O)NN)c2ccccc2n1Cc1cccc(F)c1	216946775	DMEPZNKGQSQEDH-UHFFFAOYSA-N	297.333	2.741	50	40	CFGB	
O=C(CCl)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1	199812866	MJSXUNICETUOGD-CYBMUJFWSA-N	295.766	2.843	50	40	CFGB	
O=C(O)CCCCCCCCCCNC(=O)CCl	5353011	HOFBQOQWOGIPHX-UHFFFAOYSA-N	277.792	2.937	50	40	CFGB	
O=C(N/N=C/c1cccc(O)c1)c1ccccc1Cl	260614	ASSZQPSCLTWOEK-CXUHLZMHSA-N	274.707	2.810	50	40	CFGB	
O=C(N/N=C/c1ccc2cccnc2c1)c1ccco1	62247	VPGNYSZKJPPHOY-LICLKQGHSA-N	265.272	2.592	50	40	CFGB	
CCC[C@H](C)[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	521758	AQHYFQILVUGFNJ-QPUJVOFHSA-N	274.320	2.554	50	40	CFGB	
O=C(CCCC[C@H]1CCSS1)NCCc1c[nH]cn1	79189045	PVFLLEOWLJKVDE-LBPRGKRZSA-N	299.465	2.783	50	40	CFGB	biogenic
N#C/C(=C\c1cccc(O)c1)c1nnc2n1CCCCC2	7158917	KCCLXHUFKHOTAM-UKTHLTGXSA-N	280.331	2.774	50	40	CFGB	
O=C(Cc1c(F)cccc1Cl)N/N=C/c1cccnc1	15934506	RQLXWVPRGJJWEK-GIJQJNRQSA-N	291.713	2.567	50	40	CFGB	
O=C(CCl)NCc1cc(Cl)ccc1Cl	79418637	NWPWFSNKXDUBLO-UHFFFAOYSA-N	252.528	2.848	50	40	CFGB	
C[C@@H]1CC(C)(C)N(C(C)(C)C(=O)NN)c2ccccc21	223207803	CDEBLZQSARBMII-LLVKDONJSA-N	275.396	2.547	50	40	CFGB	
O=[N+]([O-])c1ccc(N/N=C/CCCCl)c([N+](=O)[O-])c1	5731974	ZKJPLNDWIOURJS-WUXMJOGZSA-N	286.675	2.920	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2	4975560	ILMWOYQXYMVDBH-LZDFTBJNSA-N	256.349	2.767	50	40	CFGB	
Cc1cc(C(=O)NNC(=O)c2ccc(F)cc2)c(C)s1	7977816	QUXKDBCAGAERPI-UHFFFAOYSA-N	292.335	2.579	50	40	CFGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cccc(O)c1	408958238	XYMLZMBCGVLKAG-ZGQHFSNZSA-N	272.348	2.669	50	40	CFGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCCCC1	3069148	CDWBUANKLPGZHH-JLHYYAGUSA-N	258.296	2.745	50	40	CFGB	
CO[C@@H]1C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br	100019269	IYPLSDZKBBXDCH-SYQHCUMBSA-N	296.208	2.669	50	40	CFGB	
Cn1/c(=N\NC(=O)CC2CCCC2)sc2ccccc21	103050288	GIKFVJLSBMGWCP-BMRADRMJSA-N	289.404	2.752	50	40	CFGB	
CO[C@@]1(C)OO[C@@](C)(O)C12[C@H]1CC[C@@H]2c2ccccc21	104291991	SBLJMFQAJJHXCN-AFLMIKJESA-N	276.332	2.681	50	40	CFGB	
CCCOc1ccccc1/C=N/NC(=O)c1ccncc1	59471536	IKPZBUCVSBOPAC-LDADJPATSA-N	283.331	2.634	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2	100335297	ILMWOYQXYMVDBH-QRHTVFCSSA-N	256.349	2.767	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)c2ccc(F)cc2)s1	13838233	YCMOOBZMGVODEF-NVNXTCNLSA-N	262.309	2.960	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1F	96404953	IWTOJPCQGJYFOH-NTUHNPAUSA-N	284.290	2.951	50	40	CFGB	
N#CSc1c(-c2ccc(Cl)cc2)n[nH]c1N	18122786	PAQGXSPYCGDYRI-UHFFFAOYSA-N	250.714	2.885	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2ccc(F)cc2)cc1	33299686	WPGCBFWORYGIHN-YVLHZVERSA-N	256.280	2.898	50	40	CFGB	
CCOC(=O)/C(C#N)=C/NCc1ccc2[nH]c(C)c(C)c2c1	102380799	IOVALTDIYLXOKZ-GXDHUFHOSA-N	297.358	2.845	50	40	CFGB	
COC(=O)N/N=C/c1c(OC)ccc2ccccc12	491975	UWWUMGHKJNGVMD-OQLLNIDSSA-N	258.277	2.538	50	40	CFGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	1598597	MBSZPLPPLPIPMI-UHFFFAOYSA-N	288.215	2.722	50	40	CFGB	
C/C(N)=C(\C#N)C(=O)CSc1ccc(C)cc1C	104852596	RUOGGTSXMHGNCR-QXMHVHEDSA-N	260.362	2.721	50	40	CFGB	
N#C/C(=C1\C(=O)Nc2ccccc21)c1nc2ccccc2[nH]1	4864962	PDKQOSVCFXIPLV-RVDMUPIBSA-N	286.294	2.949	50	40	CFGB	
COC(=O)[C@@H](Br)CCc1ccccc1	34627494	UIZZMKUFGKXJNR-JTQLQIEISA-N	257.127	2.556	50	40	CFGB	
O=C1OC(=O)[C@@H]2[C@@H]3CCCC[C@H]3[C@@H]3CCCC[C@@H]3[C@@H]12	104288971	TXZFDXCATILDFU-QEHJDLSMSA-N	262.349	2.929	50	40	CFGB	
CC1(C)Oc2ccccc2C(=O)[C@@H]1Br	4610813	ZOMRTKQASGRNSL-JTQLQIEISA-N	255.111	2.804	50	40	CFGB	
Cc1cc(N(Cc2cccnc2)C(=O)CCl)ccc1O	199756174	CILQNEJZYCGUSL-UHFFFAOYSA-N	290.750	2.868	50	40	CFGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccccc1O	245226606	GNLXYQYPXVSRCD-LXVRWRBHSA-N	272.348	2.669	50	40	CFGB	
CC[C@@H]1CCC/C1=N\NC(=O)CNc1ccccc1OC	12404035	RCCYECOIIWIEJS-SLDGYZHNSA-N	289.379	2.789	50	40	CFGB	
NNC(=O)CCc1ccc2ccc3ccccc3c2c1	1577016	DWPVXPWVRGYTRD-UHFFFAOYSA-N	264.328	2.916	50	40	CFGB	in-vitro
C/C(=N\NC(=O)c1cccnc1)c1cc2ccccc2o1	5163222	RPQZANPSFPLKQT-WOJGMQOQSA-N	279.299	2.982	50	40	CFGB	
CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1C	212079735	WXOZREDNCMXEHM-GDNBJRDFSA-N	279.343	2.747	50	40	CFGB	
CC(C)(C)OC(=O)NC1(c2noc(CCl)n2)CCC1	70453682	KCADFAKNTKHRKD-UHFFFAOYSA-N	287.747	2.712	50	40	CFGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@H]1C[C@@H]1[N+](=O)[O-]	44264268	DQWIASBLRHEQFI-GJZGRUSLSA-N	297.314	2.521	50	40	CFGB	
C[C@@H](Cl)C(=O)N(CCC#N)c1ccc(F)cc1	38338680	XAVBLBHZGOJNPR-SECBINFHSA-N	254.692	2.700	50	40	CFGB	
CCCCCC(=O)NNC(=O)c1ccc2ccccc2n1	13004206	QSNIYJGRNSHJSN-UHFFFAOYSA-N	285.347	2.576	50	40	CFGB	
CCCOc1ccc(/C=C(\C#N)C(N)=O)cc1Cl	408871753	XAOIJNGSRCQSGY-UXBLZVDNSA-N	264.712	2.521	50	40	CFGB	
O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccccc1O	31687622	WAHZSOZHLCYJJD-WQRHYEAKSA-N	280.327	2.645	50	40	CFGB	in-vitro
NNC(=O)c1cccc(OCc2ccccc2Cl)c1	226318729	UERDGGDXPLYEOM-UHFFFAOYSA-N	276.723	2.523	50	40	CFGB	
CCCOc1ccc(C(=O)NNC(=O)c2ccccc2)cc1	2629706	BDBKBRBSJPAYIC-UHFFFAOYSA-N	298.342	2.550	50	40	CFGB	
Cc1ccccc1C(=O)N(CCCl)CCCl	1694376	YXUQIZKGWSXWJF-UHFFFAOYSA-N	260.164	2.915	50	40	CFGB	
C/C(=N\NC(=O)COc1c(C)cccc1C)c1ccco1	222208	NSICHQMXSCOETK-GHRIWEEISA-N	286.331	2.816	50	40	CFGB	
N#C/C(=C\c1ccco1)C(=O)NCCc1ccccc1	2768298	XWFAWSYPHQCTNJ-SDNWHVSQSA-N	266.300	2.545	50	40	CFGB	
C[C@@]12CC[C@@H]([C@@H](Br)C1=O)[C@@]2(C)CCC(=O)O	225450212	UHBNKGHKJHETSR-ZPKWADRFSA-N	289.169	2.620	50	40	CFGB	
CC(C)(CCl)C(=O)N1CCN(c2ccccc2)CC1	20203029	JOJNDTLODDHZQV-UHFFFAOYSA-N	280.799	2.600	50	40	CFGB	
O=C(NNc1nc(-c2ccc(Cl)cc2)no1)C1CCC1	78674025	LZRZAPKVBCLHNH-UHFFFAOYSA-N	292.726	2.633	50	40	CFGB	
COc1ccc(CN(CCCl)CCCl)cc1	1695082	XVEHBTQWYNXBED-UHFFFAOYSA-N	262.180	2.975	50	40	CFGB	
Cn1cccc1/C=N\NC(=O)c1cc2ccccc2o1	409093627	BKALJYCBENEHLC-YBEGLDIGSA-N	267.288	2.535	50	40	CFGB	
Cc1ccc(Br)c(NC(=O)CCl)c1	20416287	QJXDISQBPMVHQI-UHFFFAOYSA-N	262.534	2.935	50	40	CFGB	
N#CCC(=O)N/N=C/c1c[nH]c2c1ccc1ccccc12	235739	SBQJFTLACBLJIZ-VXLYETTFSA-N	276.299	2.685	50	40	CFGB	
COc1cccc(/C=N/NC(=O)Nc2ccccc2)c1OC	8110880	BJZXNKCEWBLRGL-GZTJUZNOSA-N	299.330	2.859	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(F)cc2)cc1	5621123	GJGIKBMFSTZXLF-WOJGMQOQSA-N	286.306	2.988	50	40	CFGB	
CC(C)(O)C(=O)NN=C1CCC(c2ccccc2)CC1	32578369	OAWSWSCINNEBOU-UHFFFAOYSA-N	274.364	2.587	50	40	CFGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1O	238212	UGTNCQFOKAJWND-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
CN(C)c1ccc(C=C(C#N)C#N)cc1Br	96959	HNNSIJXCQSTSLM-UHFFFAOYSA-N	276.137	2.946	50	40	CFGB	
C#CCO[P@](=O)(CCl)N(CCCl)CCCl	1694145	ZNKHVACNZRZXPX-OAHLLOKOSA-N	292.530	2.805	50	40	CFGB	
C/C(N)=C(\C#N)C(=O)CSc1cc(C)c2ccccc2n1	104795297	JAGNDROYIQALKS-QBFSEMIESA-N	297.383	2.961	50	40	CFGB	
CC1(C)CC(=O)C/C(=N\NC(=O)C2[C@H]3CCCC[C@@H]23)C1	100506202	PPMVTAATPZLMJM-JEOLEQHYSA-N	276.380	2.674	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(O)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2	100063943	PCNFIBVMSMWWPY-AYMJKNLGSA-N	272.348	2.934	50	40	CFGB	
O=C(N/N=C/c1ccccc1C(=O)O)Nc1ccccc1	169885291	VHHUCKAICZQTQX-MHWRWJLKSA-N	283.287	2.540	50	40	CFGB	
O=C(NNc1ccccn1)c1cc(Cl)nc(Cl)c1	162892	SBJYLORUXYXZGK-UHFFFAOYSA-N	283.118	2.540	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1	498209	AZFDOYZARAPUDQ-MHWRWJLKSA-N	283.287	2.667	50	40	CFGB	
O=C/C=C/c1ccc(Br)c([N+](=O)[O-])c1	3190904	KKLIUEXAGHFBMP-OWOJBTEDSA-N	256.055	2.569	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(C)o2)cc1	5465382	VMWUHANMTDPCAY-MHWRWJLKSA-N	272.304	2.751	50	40	CFGB	
CO[C@@H](C(=O)N/N=C/c1cccc(C)c1)c1ccccc1	354328	NHHHDIVLLXHWFP-YAJBTMAUSA-N	282.343	2.833	50	40	CFGB	
CO[C@@H]1C[C@@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br	100295818	IYPLSDZKBBXDCH-YIYPIFLZSA-N	296.208	2.669	50	40	CFGB	
O=C(N/N=C/c1ccncc1)c1ccc2ccccc2c1O	6244028	FIDSVXQCWZIJHI-YBFXNURJSA-N	291.310	2.704	50	40	CFGB	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccccc1	4590881	OZDCRCRLAHHXTL-UHFFFAOYSA-N	272.264	2.743	50	40	CFGB	
Cc1ccc(/C(C#N)=C/c2ccccc2OCC(N)=O)cc1	408581033	SUWOLDQROSBPRO-MHWRWJLKSA-N	292.338	2.923	50	40	CFGB	
CN(Cc1ccccc1)C[C@@H]1CCCCN1C(=O)CCl	79414827	POXKATWXTJKVOL-HNNXBMFYSA-N	294.826	2.738	50	40	CFGB	
I[C@H]1CCOC2(CCC2)C1	86917535	YYOWWJSVJDZVDA-ZETCQYMHSA-N	252.095	2.523	50	40	CFGB	
CCO[Si](CC[C@H]1CC[C@H]2O[C@@H]2C1)(OCC)OCC	169748388	UDUKMRHNZZLJRB-MGPQQGTHSA-N	288.460	2.992	50	40	CFGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccncc1	5362387	LTDNEHQXJZYWEF-FHXOWUIVSA-N	299.399	2.854	50	40	CFGB	
C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1ccncc1	503593	WVWCDHDNDGETQS-ZGXHQARYSA-N	293.326	2.662	50	40	CFGB	
COC(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	506968	VQHYYXQJGPPKFI-RIYZIHGNSA-N	289.247	2.545	50	40	CFGB	
CCOc1ccc([C@@H](C)NC(=O)CCl)cc1OCC	3887990	VIIOLUSYMWLHOV-SNVBAGLBSA-N	285.771	2.900	50	40	CFGB	
ClCc1cs/c(=N\N=C\c2cccs2)[nH]1	3887943	XTLRDYSHESABLK-VZUCSPMQSA-N	257.771	2.811	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1Cl	5795274	JKFUUPYDRJLNCK-UHFFFAOYSA-N	284.743	2.818	50	40	CFGB	
CCc1cccc(C)c1N(COC)C(=O)CCl	5956552	SELGYPDSXDZPFW-UHFFFAOYSA-N	255.745	2.733	50	40	CFGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1O	408803648	RPFBUXJDVWYXHL-ZWSXMNCCSA-N	288.347	2.613	50	40	CFGB	
Cn1cc(C(=O)N/N=C2/CCn3cccc32)c2ccccc21	84314233	PHZDIFZXJLYWGP-JXAWBTAJSA-N	292.342	2.518	50	40	CFGB	
N#CC1=C2CCCC[C@@H]2[C@@H](c2ccco2)C(C#N)(C#N)C1=O	28107	COJLHLOWBGORHD-WFASDCNBSA-N	291.310	2.990	50	40	CFGB	
O=C(CCl)Nc1c(Cl)cc(Cl)cc1C(=O)O	3252729	XQEXUNLSFWPBMA-UHFFFAOYSA-N	282.510	2.869	50	40	CFGB	
O=C(NNc1ccccc1C(F)(F)F)c1ccncc1	13005884	RXPUVCBVVXAVIF-UHFFFAOYSA-N	281.237	2.857	50	40	CFGB	
CC(=O)N[C@H](C)CCc1ccc(C(=O)CCl)cc1	4206057	WZEMQPVZBVNADC-SNVBAGLBSA-N	267.756	2.565	50	40	CFGB	
CC(C)/C(=N\NC(=O)c1ccncc1)c1ccccc1	33318577	WXMQWZXSIDUMAR-OBGWFSINSA-N	267.332	2.872	50	40	CFGB	
CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)Cl)c1	37389549	QTGRSOUNUZEXMQ-SNVBAGLBSA-N	282.771	2.734	50	40	CFGB	
Cc1ccc(O)c(/C=N/NC(=O)c2ccc(F)cc2)c1	96892967	UQOBWINZCVLORL-RQZCQDPDSA-N	272.279	2.604	50	40	CFGB	
CN(CCI)c1ccccc1	190804345	PJBOZJXLPXAOEN-UHFFFAOYSA-N	261.106	2.558	50	40	CFGB	
CCOc1cc2c(cc1NC(=O)CCl)O[C@H](C)C2	12505021	FPSYPUWVVIFGLM-MRVPVSSYSA-N	269.728	2.586	50	40	CFGB	
N#C/C(=C\C=C(/Cl)c1ccc(Cl)cc1)C(N)=O	31910867	QOQMSTNLZICRRC-HKHGSBPZSA-N	267.115	2.855	50	40	CFGB	
O=C1CCc2ccc(OCCCCCl)cc2N1	21985905	SRMLSNBGMDJSJH-UHFFFAOYSA-N	253.729	2.969	50	40	CFGB	in-vitro
NNC(=O)c1ccc([C@@H]2C[C@H]2c2ccccc2)cc1	1244796	NCCXTIMHSSGUEJ-GJZGRUSLSA-N	252.317	2.561	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2sccc2C)cn1	4724813	RAOFYCVFKQOOOJ-NVNXTCNLSA-N	259.334	2.524	50	40	CFGB	
N#Cc1cccc(C(Br)Br)n1	4235194	UARAKHMMHZQRDS-UHFFFAOYSA-N	275.931	2.742	50	40	CFGB	biogenic
CCN1CCC(=NNC(=O)c2cccc(Cl)c2)CC1	55074048	AIPJMUSPJWRUSV-UHFFFAOYSA-N	279.771	2.542	50	40	CFGB	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccnc1	5494620	AFTLNAQILZSRJQ-KHIIKVJLSA-N	279.343	2.726	50	40	CFGB	
CSCC(=O)NN=C(c1ccccc1)c1ccccc1	72516992	JWDHSAMAUQTNJV-UHFFFAOYSA-N	284.384	2.918	50	40	CFGB	
CC(=O)N/N=C/c1ccccc1OCc1ccccc1C#N	409013155	LOYRTJUXIQCFJX-YBFXNURJSA-N	293.326	2.607	50	40	CFGB	
COc1cc(C(=O)Cl)cc(OC)c1Br	72232661	SMLBFULFKTYEPL-UHFFFAOYSA-N	279.517	2.845	50	40	CFGB	
O=C(N/N=C/c1ccc2ccccc2c1)c1cccnc1	175807	TYJCONRBZCIAKR-YBFXNURJSA-N	275.311	2.999	50	40	CFGB	
CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)C(C)C)cs1	44027119	OQUOYIZSOHVVAV-IZZDOVSWSA-N	291.376	2.648	50	40	CFGB	
N#Cc1cc(CBr)nc(CBr)c1	100256722	XREANIHWLPYPEN-UHFFFAOYSA-N	289.958	2.743	50	40	CFGB	
COc1ccc(C[C@@H](Br)C(=O)O)cc1Cl	76545194	INHUZXOWBFAPMA-SSDOTTSWSA-N	293.544	2.739	50	40	CFGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccco1	7157977	GMBJHAOHWSFNEG-XEGJVCIASA-N	258.321	2.881	50	40	CFGB	
Cc1cc(C(=O)N/N=C/c2ccccn2)c2ccccc2n1	262979	QCPOHVCPXWWDGS-YBFXNURJSA-N	290.326	2.702	50	40	CFGB	
COc1cccc(C(=O)N/N=C2\C[C@H]3CC[C@H]2C3)c1	104702478	DDFXZNFQISCFDQ-XFEKRIIOSA-N	258.321	2.601	50	40	CFGB	
COC(=O)[C@H](Cl)c1cc(Br)cs1	50978256	MZVFWHOGQPDLGE-ZCFIWIBFSA-N	269.547	2.964	50	40	CFGB	
O=C(COc1ccccc1)N/N=C1\CCCc2ccccc21	5604044	XIAJHTOQIUFRSP-HTXNQAPBSA-N	294.354	2.922	50	40	CFGB	
Cc1occc1C(=O)N/N=C/c1ccc(F)s1	225389959	JYBFRHOBMXGJCJ-AWNIVKPZSA-N	252.270	2.553	50	40	CFGB	
C/C(N)=C(\C#N)C(=O)CSc1ccc2ccccc2n1	104730494	WEHIMEUOXHHLJT-BENRWUELSA-N	283.356	2.652	50	40	CFGB	
Cc1cc(-c2nnc(CCl)o2)ccc1[N+](=O)[O-]	163352	CTSDFOQGUVRPGN-UHFFFAOYSA-N	253.645	2.692	50	40	CFGB	
CC(=O)N/N=C/c1ccc(Sc2ccccc2)o1	1097195	BPHYDTPXNVYVHV-NTEUORMPSA-N	260.318	2.901	50	40	CFGB	
CCOC(=O)/C(=C(/O)[C@H](C)Cl)c1nc(C)cs1	100205344	ZLIUAHMLCOHCFJ-MXMZYCHESA-N	275.757	2.911	50	40	CFGB	
N#C/C(=C/C=C/c1ccccc1)C(=O)N1CCCC1	33338148	IVDFPFRCLLSZDB-ZLRVCTSNSA-N	252.317	2.772	50	40	CFGB	
COc1ccc(C(=O)N/N=C/C(C)(C)CCC#N)cc1	20249092	YDUOCGNLUQXLKQ-GZTJUZNOSA-N	273.336	2.741	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(C)o2)c(C)c1	20194285	QWXDKRQYSWQIPF-LICLKQGHSA-N	270.332	2.898	50	40	CFGB	
Cc1ccc(C2=NO[C@@H](CBr)C2)cc1	217840481	PRDCIFGCUJYQCJ-SNVBAGLBSA-N	254.127	2.883	50	40	CFGB	
NC(=O)N/N=C/c1ccc2c(Br)cccc2c1	4266383	QETGWFMJOYRUNI-VIZOYTHASA-N	292.136	2.605	50	40	CFGB	
O=C(CCCl)Nc1ccc(C(=O)CCl)cc1	103764669	HGNYLCKATRQQNO-UHFFFAOYSA-N	260.120	2.676	50	40	CFGB	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(N)cc1	14922160	UTJKYRAPRVJEJK-YFGIWCPESA-N	293.370	2.913	50	40	CFGB	
O=C[C@@H](Cl)P(=O)(N1CCCCC1)N1CCCCC1	500391	UVWSSNNDUNEAHK-LBPRGKRZSA-N	292.747	2.915	50	40	CFGB	
CCOc1ccc([C@@H]2OC[C@H](CCl)O2)cc1OC	1689347	PVVFEBSSVWPLQF-GXFFZTMASA-N	272.728	2.747	50	40	CFGB	
O=S(=O)(c1ccccc1)C(F)(F)[C@H](F)Cl	1713095	QDMZYPIQHAHYLZ-ZETCQYMHSA-N	258.648	2.588	50	40	CFGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(C)o2)cc1	10475770	KZVQVVPFANFZNZ-GZTJUZNOSA-N	286.331	2.680	50	40	CFGB	
Cc1cccc(OCC(=O)N/N=C\c2ccccc2)c1C	30838716	WPTPLDREUMLTGY-WQRHYEAKSA-N	282.343	2.833	50	40	CFGB	
N#CC1=C(C(F)(F)F)CC(=O)n2c1nc1ccccc12	39922429	GAKVJDKWYBEYGP-UHFFFAOYSA-N	277.205	2.920	50	40	CFGB	
C/C=C/CCCCC(=O)[C@@H](C)C(=O)N1CC[C@H](Cl)C1=O	1772591343	UMHAEHDRWGBOTH-LXYZTQFVSA-N	299.798	2.694	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	498174	MUECMEYRSRAEQJ-MHWRWJLKSA-N	283.287	2.667	50	40	CFGB	
C/C(=N\NC(=O)COc1ccc(C)c(C)c1)c1cccnc1	524314	JEYWZCFKYPBEDR-XMHGGMMESA-N	297.358	2.618	50	40	CFGB	
C=CCc1cc(/C=C(\C#N)C(=O)OCC)cc(OC)c1O	559282	ZLWLJKOXZKYTCD-MDWZMJQESA-N	287.315	2.599	50	40	CFGB	
O=C1CCCC[C@@H]1CN(CCCl)CCCl	4722370	VLLMTPMOWCWMDX-SNVBAGLBSA-N	252.185	2.525	50	40	CFGB	
C[C@H]1CCCC/C1=N/NC(=O)c1cccc([N+](=O)[O-])c1	101036595	UUSCUPNYERVZJQ-ZSNVJIKNSA-N	275.308	2.891	50	40	CFGB	
CCCOc1ccc(/C=C(\C#N)C(=O)OC)cc1OCC	2768555	KXIMUFLYAIYQGE-UKTHLTGXSA-N	289.331	2.954	50	40	CFGB	
Cc1cc(I)ncc1CCl	72225973	NQDCPLORXJUIDH-UHFFFAOYSA-N	267.497	2.733	50	40	CFGB	
O=C(CCl)c1cc(Cl)ncc1Br	199545589	GTQUZSYLUQZCBE-UHFFFAOYSA-N	268.925	2.919	50	40	CFGB	
Cn1c(SCCCCl)nnc1-c1ccoc1	228977504	KIBUDNYZMGACTE-UHFFFAOYSA-N	257.746	2.796	50	40	CFGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(C)s2)c1	353685	XKJTTXVXXQVQCV-CXUHLZMHSA-N	288.372	2.894	50	40	CFGB	
O=C(c1ccc(F)cc1)[C@@H](Cl)C(=O)C(F)(F)F	100496765	BZEDPIVSWGNNHS-SSDOTTSWSA-N	268.593	2.747	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCC2)c(C)n1C1CC1	32817918	JKPXZCIKNGSFBT-NTEUORMPSA-N	269.348	2.579	50	40	CFGB	
C/C(=N\NC(=O)C1CCCCC1)c1ccccc1O	12485950	ZHQOBJVGTXCVBO-LFIBNONCSA-N	260.337	2.813	50	40	CFGB	
CC/C(=N/NC(=O)c1cccs1)c1ccc(O)cc1	28349813	RXYPPIDPCJXPJX-QINSGFPZSA-N	274.345	2.998	50	40	CFGB	
COc1ccc(OC)c([C@H]2CCCN2C(=O)CCl)c1	9428929	RZXUCAQMZIQIRL-GFCCVEGCSA-N	283.755	2.606	50	40	CFGB	
COc1ccccc1C(=O)NC(C#N)=C(Cl)Cl	526052500	VOHQGBVEXBOLNX-UHFFFAOYSA-N	271.103	2.595	50	40	CFGB	
O=C(/C=C/c1ccccc1)NN=Cc1ccccc1O	256018535	PDXDUBHKSJPSBR-KLZXFIMRSA-N	266.300	2.556	50	40	CFGB	
CC(C)=C[C@H]1[C@@H](C(=O)NNc2nc(C)cc(C)n2)C1(C)C	65503274	JFAQVSKTJLSZHY-STQMWFEESA-N	288.395	2.775	50	40	CFGB	
Cc1ccc(NC(=O)NC(=O)[C@H](C)Cl)c(C)c1	12505728	GNTGXHMDPYNLPZ-VIFPVBQESA-N	254.717	2.579	50	40	CFGB	
I[C@@H]1CCC[C@@H]2CC[C@@H]1O2	104279031	ZVJZYCQQROXHBI-PRJMDXOYSA-N	252.095	2.522	50	40	CFGB	
CCCCCSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1	2601120	AZKASOGCWJDADQ-JTQLQIEISA-N	277.393	2.941	50	40	CFGB	
C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1cccnc1	15997701	YYQZSSBVXNGEDX-WOJGMQOQSA-N	287.750	2.818	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C	17146298	ADRLNAFQMBKRJI-NTEUORMPSA-N	263.297	2.747	50	40	CFGB	
COC(=O)c1ccc2nc(NC(=O)[C@@H](C)Cl)sc2c1	20132094	PGQQJEPCRZMCCY-ZCFIWIBFSA-N	298.751	2.649	50	40	CFGB	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)CC)cc1	1001404	FJMUYTHVRJPGAI-SDNWHVSQSA-N	272.348	2.861	50	40	CFGB	
CC(=O)O[C@H]1C[C@@H]2[C@H]([C@H]3CC[C@@H]2C3)[C@@H]1Br	4934318	AFUCICOSIKAOHN-CNOCOONNSA-N	273.170	2.748	50	40	CFGB	
Cc1ccccc1C(=O)NNc1cccc(Cl)n1	1395799	XUCNIOOBJRLDKA-UHFFFAOYSA-N	261.712	2.800	50	40	CFGB	
COc1cccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)c1	59371290	HCASRRYNJKZOES-YAJBTMAUSA-N	298.342	2.533	50	40	CFGB	
COc1ccc(C(=O)N/N=C2\C[C@@H]3CC[C@@H]2C3)cc1OC	102403449	VYBBBOSWYNVACK-SJZWRUIUSA-N	288.347	2.610	50	40	CFGB	
CCCC(=O)NNC(=S)Nc1cccc2ccccc12	6389167	IAVKSOPZQVALPT-UHFFFAOYSA-N	287.388	2.958	50	40	CFGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccn1	80458255	DNWSVXHWEWBVSJ-UHFFFAOYSA-N	279.279	2.721	50	40	CFGB	
NNC(=O)c1ccc2oc(-c3cccc(Cl)c3)nc2c1	85386397	ARFQQDMITBWELJ-UHFFFAOYSA-N	287.706	2.752	50	40	CFGB	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@H]1CBr	952958964	OWEMGANBIHEQLQ-XHNCKOQMSA-N	276.174	2.637	50	40	CFGB	
COc1cc(OC)c(CBr)c(OC)c1	36961682	YCPYQRGCVQBTCG-UHFFFAOYSA-N	261.115	2.607	50	40	CFGB	
CCCOC(=O)OC[C@@H](Br)C(F)(F)F	1083809201	XIVFRFHLIABPMB-RXMQYKEDSA-N	279.052	2.875	50	40	CFGB	
O=C(N/N=C\C=C\c1ccco1)c1ccc(F)cc1	4474869	VRUAPFHABKRWEI-JWWOBIEHSA-N	258.252	2.848	50	40	CFGB	
CC1(C)CC(=O)[C@H](C(=O)/C=C/c2ccco2)C(=O)[C@H]1Cl	104832590	NNZWVGFLAYKQKT-UGAQRHAQSA-N	294.734	2.654	50	40	CFGB	
Cc1c(NC(=O)CCCCl)cccc1[N+](=O)[O-]	14796504	LATGGYLVLCVYKF-UHFFFAOYSA-N	256.689	2.861	50	40	CFGB	
CC1CCC(=NNC(=O)COc2ccccc2C#N)CC1	8345881	GJDTWYQLHMWEFZ-UHFFFAOYSA-N	285.347	2.619	50	40	CFGB	
COc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1	408721529	SFTZYWVDOBWCSC-DLQVNHHTSA-N	286.375	2.972	50	40	CFGB	
CC(C)(C)C(=O)Nc1cccc(CBr)n1	34274084	UVGZZQFIUPSTIE-UHFFFAOYSA-N	271.158	2.961	50	40	CFGB	
Cc1cccc(-c2cc(NC(=O)CCl)on2)c1	228946651	YXHAGHGTYWVUEY-UHFFFAOYSA-N	250.685	2.827	50	40	CFGB	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1C	58606	NYFQZYXXHZUXNT-VCHYOVAHSA-N	286.306	2.907	50	40	CFGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(O)cc1	62189	CPVXUOKSQNPNBY-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
Cc1cccc(C(=O)N/N=C/c2ccccc2F)c1	253869	XDUVLZIKEPTTRY-LICLKQGHSA-N	256.280	2.898	50	40	CFGB	
COc1ccc(Cl)cc1C[C@@H](Br)C(=O)O	107843420	KFMVUGDFGFFYSO-MRVPVSSYSA-N	293.544	2.739	50	40	CFGB	
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1cccnc1	5381666	QKDQVQWBRGCRBN-YBFXNURJSA-N	278.315	2.717	50	40	CFGB	
COc1ccccc1/C=N/NC(=O)c1cccc(C)c1	244876	WULKSLLKDMCJEH-GZTJUZNOSA-N	268.316	2.768	50	40	CFGB	
C[C@H]1C(C)(C)[C@@]23C[C@]12C1(OCCO1)[C@@H]3Br	5941770	GAVFTOXAFOGPIF-OEIWMXHLSA-N	273.170	2.559	50	40	CFGB	
CCOC(=O)N/N=C/c1cccc(Br)c1	3225237	XALLAEGSJWXBOM-KPKJPENVSA-N	271.114	2.529	50	40	CFGB	
O=C(NNC(=O)C1CCC1)c1cc2c(s1)CCCCC2	40161010	HHFVWNLDSJCTDA-UHFFFAOYSA-N	292.404	2.578	50	40	CFGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	6827175	HVRCRPSKCUGFEV-NTEUORMPSA-N	284.359	2.907	50	40	CFGB	
CO[C@H](C(=O)NN=C1CCCCC1)c1ccccc1	20249051	QRAMRJMMSJDVBL-AWEZNQCLSA-N	260.337	2.810	50	40	CFGB	
CCCOc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1	2769997	ZZKWHGLZAGVXHH-UKTHLTGXSA-N	270.332	2.661	50	40	CFGB	
CC(C)C[C@H](C)CC(=O)NNC(=O)OC(C)(C)C	67899765	UPRVVJNINPVOOZ-JTQLQIEISA-N	258.362	2.615	50	40	CFGB	
CCn1cccc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1	409377169	GLZRXMQIBJLUKU-BENRWUELSA-N	281.315	2.759	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1C)c1ccc(N)cc1	112409	AKUNCXOWISUFIS-LDADJPATSA-N	267.332	2.731	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)NC2CCCCC2)c1	1421070	NAUWYQRZERZFJE-LFIBNONCSA-N	259.353	2.961	50	40	CFGB	
COc1cc(NC(=O)CCCCl)cc(OC)c1	19400845	FZHOVNUBCBAHEV-UHFFFAOYSA-N	257.717	2.661	50	40	CFGB	
CCC(CC)=NNC(=O)c1c(C)nc2ccc(C)cn12	408981633	WAPMMVOIUVMHIO-UHFFFAOYSA-N	272.352	2.857	50	40	CFGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	5175421	DFZQGMUZQBGNFN-JLHYYAGUSA-N	294.310	2.946	50	40	CFGB	
CCc1ccc(/C(C)=N/NC(=O)c2ccncc2)s1	5477366	GNFMCLNRNAMJBO-MHWRWJLKSA-N	273.361	2.860	50	40	CFGB	
CC(C)COC(=O)c1ccc(NC(=O)CCl)cc1	1671442	FUJBAIPJOVEESU-UHFFFAOYSA-N	269.728	2.677	50	40	CFGB	
O=C(N/N=C/c1ccco1)[C@@H]1C[C@@H]1c1ccccc1	4117912	QFXRPRZJDAYKGA-RSCROXIHSA-N	254.289	2.533	50	40	CFGB	
Cn1cccc1C(=O)/C(C#N)=C/c1ccc(F)cc1	4073088	GIAOCOBIKJPZJQ-FMIVXFBMSA-N	254.264	2.954	50	40	CFGB	
C=CCOC(=O)/C(C#N)=C/c1c[nH]c2ccccc12	5215053	WNNQSHFEAZCYOA-DHZHZOJOSA-N	252.273	2.804	50	40	CFGB	
COC(=O)N/N=C(/C)c1cc(Cl)cc(Cl)c1O	6644738	HWNJXCUZMRWTCN-ACAGNQJTSA-N	277.107	2.779	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1cc(Cl)ccc1OC	7697276	DQGQABWXFLURHR-CMDGGOBGSA-N	280.711	2.731	50	40	CFGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1C	194518421	LBYYJNURGQAKCO-RIYZIHGNSA-N	296.326	2.820	50	40	CFGB	
O=NN(C(=O)NCc1cccnc1)C1CCCCC1	5390298	WAKFBOOENSZIRZ-UHFFFAOYSA-N	262.313	2.607	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)s1	502807	ADGGOOYGYIESIR-RIYZIHGNSA-N	289.316	2.729	50	40	CFGB	
CC(C)c1n[nH]c2c1[C@H](c1cccs1)C(C#N)=C(N)O2	13146860	KVEBBIAYUFQONV-JTQLQIEISA-N	286.360	2.813	50	40	CFGB	
O=C(CCl)Nc1ccc([N+](=O)[O-])cc1Br	3885264	PLIKLVUFGZQMJW-UHFFFAOYSA-N	293.504	2.535	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1c(F)cccc1Cl	40889255	NDGZMPIQQSIPOD-TWGQIWQCSA-N	266.703	2.911	50	40	CFGB	
O=C(CCl)N(CC1CCC1)c1cccc(O)c1	199756808	RXISVYFSHAQDNC-UHFFFAOYSA-N	253.729	2.764	50	40	CFGB	
C/C(O)=C(/C#N)C(=O)Nc1ccc(C(F)(F)F)cc1	100054543	UTNUDOFZCWSZMS-JXMROGBWSA-N	270.210	2.999	50	40	CFGB	world
Cc1ccc(C)c([C@@H](C)NC(=O)NCCCl)c1	1614968	KUCYYKWMNDAONM-LLVKDONJSA-N	254.761	2.902	50	40	CFGB	
Cc1c(C(=O)N/N=C/c2cccs2)cccc1[N+](=O)[O-]	59447429	POTNIJUVUWWXBQ-RIYZIHGNSA-N	289.316	2.729	50	40	CFGB	
CCc1ccc(/C(C)=N/NC(=O)c2ccccc2N)cc1	408586429	CAKIXEYBNGBCOB-XDHOZWIPSA-N	281.359	2.985	50	40	CFGB	
COc1cccc(/C=N/NC(=O)c2ccccc2C)c1	524083	XOHUMUMPNGTAGR-GZTJUZNOSA-N	268.316	2.768	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2cccc(C)c2)c(OC)c1	3196075	JBCHRRNYABWKMD-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)N/N=C\N(C)C	104150554	HQSDMDPBSJPNOS-LJRKWCDZSA-N	269.389	2.678	50	40	CFGB	
Cc1cc(/C=N\NC(=O)c2cccs2)cc(C)c1O	107534552	RSYAAAHCPGIPAG-NVNXTCNLSA-N	274.345	2.834	50	40	CFGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NN=C1CCCCCC1	6221429	GIJYGKFYQHCTFJ-UHFFFAOYSA-N	289.335	2.964	50	40	CFGB	
O=C(N/N=C1\C[C@H]2C=CC[C@H]12)c1ccc(Cl)cc1O	17007669	ZPBWFUCYLLDCLG-SJBRQTLUSA-N	276.723	2.727	50	40	CFGB	
CCCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	3152604	ZXHMZEGWGJLOMV-LDADJPATSA-N	298.342	2.945	50	40	CFGB	
O=C(CCl)NCCC(=O)Nc1ccc2ccccc2c1	15423142	IHYDEKYAPSWYNU-UHFFFAOYSA-N	290.750	2.523	50	40	CFGB	
CCCCCc1ccc(/C(N)=N/OC(=O)CCl)cc1	4276673	NKDFLMKLQAPLPL-UHFFFAOYSA-N	282.771	2.822	50	40	CFGB	
O=C(CCl)Nc1ccnn1Cc1ccccc1Cl	12505046	GJXDZOPPNODAME-UHFFFAOYSA-N	284.146	2.762	50	40	CFGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)NN=C1CCCC1	59434257	HLXWMMMJNNRNDP-UHFFFAOYSA-N	293.754	2.633	50	40	CFGB	
CO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3	38158631	SXYIRMFQILZOAM-WALIHTMFSA-N	298.379	2.841	50	40	CFGB	
CCCC/C(C)=N/NC(=O)Cc1ccc(OC)cc1	4155485	GAWSVIOMPFKCKS-FOWTUZBSSA-N	262.353	2.920	50	40	CFGB	
Cc1ccccc1C(=O)NNc1ccccc1[N+](=O)[O-]	4178227	MDFHIAFATULDHX-UHFFFAOYSA-N	271.276	2.660	50	40	CFGB	
Nc1ccc2c(c1)S(Cl)=c1cc(N)ccc1=N2	68601087	WPAILEDKVAYWLN-UHFFFAOYSA-N	263.753	2.848	50	40	CFGB	
CC(=O)Nc1ccc(C(=O)[C@H](C)Br)cc1	2029070	LLZKTKZPJBSEHD-ZETCQYMHSA-N	270.126	2.611	50	40	CFGB	
CC/C(=N\NC(N)=O)[C@@H](CC)c1ccc(OC)cc1	13403424	VHIYOUYFUXZOFU-UJUPCEQOSA-N	263.341	2.623	50	40	CFGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1CCc1ccccc1	32617	HJLQDQMWVYCMCF-CYBMUJFWSA-N	294.354	2.967	50	40	CFGB	
O=C(CCl)Nc1c2c(nn1-c1ccccc1)CSC2	4077261	IWDRPROVRNBDOE-UHFFFAOYSA-N	293.779	2.796	50	40	CFGB	
BrC[C@@H]1CCO[C@@H](c2ccccc2)O1	4283613	LZPOSTLTDVMAGB-WDEREUQCSA-N	257.127	2.886	50	40	CFGB	
O=C(O)c1ccccc1OCCCBr	8731606	WJOPSZPKUAHSEK-UHFFFAOYSA-N	259.099	2.549	50	40	CFGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(C#N)cc1	33281895	RKZAWWHRWQDNBK-ZJNPRJNYSA-N	281.359	2.835	50	40	CFGB	
Cn1c(SCCCCl)nnc1-c1ccc(CN)cc1	228928619	SCLJGCGNLLIYOT-UHFFFAOYSA-N	296.827	2.662	50	40	CFGB	
CC(C)(C)OC(=O)[C@@H](N)c1ccc(N=C=S)cc1	80430168	OGQHDSUPCRGSNY-NSHDSACASA-N	264.350	2.762	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)Cc1ccccc1	524525	DXZCMIZNSFJZNO-XNTDXEJSSA-N	258.346	2.749	50	40	CFGB	
O=C(NN=C1CCCCCC1)C(=O)Nc1ccccc1F	13921521	NXUDAJIQSGFKST-UHFFFAOYSA-N	291.326	2.591	50	40	CFGB	
CCn1cc(/C=C(\C#N)c2nc(C)c(C(C)=O)s2)cn1	17009625	RSPBTOSAYYBXML-LFYBBSHMSA-N	286.360	2.935	50	40	CFGB	
N#C/C(=C\c1ccc(C=O)cc1)S(=O)(=O)c1ccccc1	160958	SJOLUYRUWDRCSV-MHWRWJLKSA-N	297.335	2.837	50	40	CFGB	
Cc1cccc(C(=O)N(CCCl)CCCl)c1	1694375	LRGPPTRRDGNQBS-UHFFFAOYSA-N	260.164	2.915	50	40	CFGB	
COc1ccc(CC(=O)N/N=C2\CCC[C@@H](C)C2)cc1	369407	KFKNYXRVNLJPTI-YVYFARNLSA-N	274.364	2.920	50	40	CFGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1	408767625	ZCCNNPLFWBFZOJ-GZTJUZNOSA-N	268.316	2.768	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1	409363317	LENZBNLVRLYJGA-UYRXBGFRSA-N	295.386	2.754	50	40	CFGB	
O=c1ccc2ccc(OCCCBr)cc2o1	2510920	ASDNDKTVOWYXTH-UHFFFAOYSA-N	283.121	2.957	50	40	CFGB	
O=C(N/N=C/c1ccc(Br)o1)c1cccs1	28472	KCKRPEQXFAQXRG-WUXMJOGZSA-N	299.149	2.868	50	40	CFGB	
N#C/C(=C\c1ccsc1)C(=O)Nc1ccccc1C(=O)O	13345074	SHSCLIKTIHNPAX-YRNVUSSQSA-N	298.323	2.992	50	40	CFGB	
C/C(CC[C@@H]1CCc2ccccc2C1)=N\NC(N)=O	16951890	HFNOOOSSOLEJDC-PBSOMRJOSA-N	259.353	2.616	50	40	CFGB	
CC(=O)O[C@@H]1C[C@@H]2[C@H]([C@H]3CC[C@@H]2C3)[C@@H]1Br	4934317	AFUCICOSIKAOHN-HRSIUBJKSA-N	273.170	2.748	50	40	CFGB	
CC(C)OC(=O)/C(C#N)=C\C1=Cc2ccccc2OC1	58162646	PBOMFGLPYINSMA-ZSOIEALJSA-N	269.300	2.864	50	40	CFGB	
COc1c(Cc2ccccc2)cc(Cl)cc1C(=O)NN	57352760	NSDIKMGYXVRECV-UHFFFAOYSA-N	290.750	2.543	50	40	CFGB	
O=C(NNC(=S)Nc1ccccc1)C1CCCCC1	4954351	FNPQQHBXFWOKBG-UHFFFAOYSA-N	277.393	2.585	50	40	CFGB	
C/C(=N/NC(=O)c1ccncc1)c1ccc(Cl)s1	174971	OBPSLGRIJVEXPY-NVNXTCNLSA-N	279.752	2.951	50	40	CFGB	
CC(C)=NNC(=O)CNc1cccc(C(F)(F)F)c1	5011760	ALLHMXYPFFPYKP-UHFFFAOYSA-N	273.258	2.629	50	40	CFGB	
CC/C(=N\NC(=O)c1ccoc1C)c1ccccc1O	5914777	VWMXTCZWJNKBEB-DTQAZKPQSA-N	272.304	2.838	50	40	CFGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCC	208845824	NHKOLFOJRCPRQL-BJMVGYQFSA-N	294.738	2.530	50	40	CFGB	
COC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	494960	NGTYFUSLQXACEC-WEVVVXLNSA-N	255.195	2.785	50	40	CFGB	
CCc1ccc(/C=N/NC(=O)c2ccccc2C)o1	9201644	ZWSAKGCQZWPFHI-MHWRWJLKSA-N	256.305	2.914	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C/c2ccsc2)cc1	5475506	CMDDVVFPCSZDBR-OQLLNIDSSA-N	274.345	2.911	50	40	CFGB	
CC/C(C)=N\NC(=O)CNc1ccccc1Cl	4698803	QTLIBGQPEQVQIH-DHDCSXOGSA-N	253.733	2.654	50	40	CFGB	
C[C@@H](c1ccccc1)n1c(CCl)cnc1S(C)(=O)=O	47219288	UOCJRKJDGYUOEF-JTQLQIEISA-N	298.795	2.635	50	40	CFGB	
CCOc1ccc(N2C[C@@H](CCl)OC2=O)cc1	1775967178	ACEGMNVXUWREEO-LLVKDONJSA-N	255.701	2.649	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(O)cc1)[C@H]1C[C@H]2CC[C@H]1C2	106064577	PCNFIBVMSMWWPY-ZXKZUAKNSA-N	272.348	2.934	50	40	CFGB	
C[C@H](Oc1cccc(F)c1)C(=O)NNc1ccc(F)cc1	36392625	LAXUUADBRWQEQJ-JTQLQIEISA-N	292.285	2.875	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)o1	408779147	AMHYRZMDIXILHB-RAXLEYEMSA-N	287.363	2.701	50	40	CFGB	
CC1=C(C)[C@@H](OCCBr)N(C(C)(C)C)C1=O	4547440	HGSWUFNNGKBSFL-LLVKDONJSA-N	290.201	2.701	50	40	CFGB	
COc1ccc(Br)cc1/C=C(\C#N)C(N)=S	6659079	VHGHITVPTBDYRG-XBXARRHUSA-N	297.177	2.651	50	40	CFGB	
C[C@H]1CN(c2ccc(/C=C/C#N)cc2[N+](=O)[O-])C[C@@H](C)O1	69899784	FMVBYJRPOXDNBH-ROUHBEFFSA-N	287.319	2.745	50	40	CFGB	
O=C1C=C(NNC(=O)c2ccccc2)C[C@@H](c2ccco2)C1	408751551	XRLKMXUSOYDVAC-CYBMUJFWSA-N	296.326	2.545	50	40	CFGB	
O=c1[nH]c(CCl)nc2sc3c(c12)CCCCC3	34937150	GMSVGGFQFUKWPJ-UHFFFAOYSA-N	268.769	2.992	50	40	CFGB	
NC(=O)c1ccc(-c2nc(CCl)cs2)cc1	36805121	LUEUJGNAZUAVDV-UHFFFAOYSA-N	252.726	2.648	50	40	CFGB	in-vitro
C[C@H](c1ccccc1)C1C(C#N)=C(N)SC(N)=C1C#N	19802752	NOCKQMOIGSIBGQ-SECBINFHSA-N	282.372	2.541	50	40	CFGB	
O=C(N/N=C/c1cccnc1)c1cc(Cl)nc(Cl)c1	162880	UYBOAQATSARGSG-FRKPEAEDSA-N	295.129	2.547	50	40	CFGB	
COc1ccccc1CCI	140043478	YPJSWVIUMFRHSK-UHFFFAOYSA-N	262.090	2.673	50	40	CFGB	
Cc1nc2ccc(/C=N/NC(=O)c3ccncc3)cc2s1	55498	BCBDSFDDPRXBCC-RQZCQDPDSA-N	296.355	2.764	50	40	CFGB	
O=C(CCl)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	3269747	VSELMKHRULYGHW-UHFFFAOYSA-N	297.723	2.896	50	40	CFGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(C#N)cc1	100172161	RKZAWWHRWQDNBK-XBMDZYEKSA-N	281.359	2.835	50	40	CFGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1C	193407932	RJZUPDPZPYWJEZ-NTEUORMPSA-N	270.332	2.533	50	40	CFGB	
COc1ccc(OC)c(NC(=O)/C(C#N)=C\c2ccco2)c1	7066068	QAYDGWQQJRBRSF-FLIBITNWSA-N	298.298	2.842	50	40	CFGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(N)=O)cc1OC	5984766	SBFPVFXUOPLFJI-LBBJYAOWSA-N	299.758	2.528	50	40	CFGB	
Cc1ccc(CSCC(=O)N/N=C/c2cccnc2)cc1	59473248	HWJUDDYISZNRAZ-VCHYOVAHSA-N	299.399	2.774	50	40	CFGB	
C[C@@H]1[C@@H]2C[C@H]([C@H](Br)C23OCCO3)C1(C)C	101052570	MBWIJPYDHZDSFW-RGOKHQFPSA-N	275.186	2.805	50	40	CFGB	
Cc1ccc(C2=NO[C@H](CBr)C2)cc1	217840558	PRDCIFGCUJYQCJ-JTQLQIEISA-N	254.127	2.883	50	40	CFGB	
Cc1cc(OCC(=O)N=C=S)cc(C)c1Cl	70461501	AJNDVFCYHYTMGZ-UHFFFAOYSA-N	255.726	2.965	50	40	CFGB	
CC1=C(C#N)C(c2ccc(C#N)cc2)C(C#N)=C(C)N1	19594372	FAXYCJAGAOTTEH-UHFFFAOYSA-N	260.300	2.840	50	40	CFGB	
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1	58904	XJCKSNCPIUBQTB-XNTDXEJSSA-N	287.275	2.650	50	40	CFGB	
COc1ccc(NC(=O)CCl)cc1-n1cccc1	8702885	IRRNWVWNPDHYTD-UHFFFAOYSA-N	264.712	2.663	50	40	CFGB	
CC1(C)SC(N)=C(C#N)[C@H]2c3ccccc3OC[C@H]21	19858360	ATNHWYMDPHHPMO-DGCLKSJQSA-N	272.373	2.998	50	40	CFGB	
O=S1(=O)C[C@@]23CC=CC[C@@]2(CCCC3)[C@H]1Cl	45069570	UYOHILFSRPWGMM-SDDRHHMPSA-N	260.786	2.877	50	40	CFGB	
CCOC(=O)NN(C(=O)OCC)c1ccccc1C	1675780	CKBKVEWCONUOFV-UHFFFAOYSA-N	266.297	2.619	50	40	CFGB	
N#C/C(=C\c1ccc(Cl)s1)C(=O)NC1CC1	2769972	DXTFYDLPRLZUOV-FNORWQNLSA-N	252.726	2.587	50	40	CFGB	
CSc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1	3616646	VNERUTRUCRGMPC-XYOKQWHBSA-N	260.362	2.840	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\C=C\c2ccccc2)cn1	4724709	MHKNRTDBTUHRLN-ZMCAKAGVSA-N	265.316	2.819	50	40	CFGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cccs1	409375285	IJONWIDAHKXSNE-XYOKQWHBSA-N	271.345	2.844	50	40	CFGB	
O=C(N/N=C/c1ccc(F)s1)c1ccc(F)cc1	252507901	WWJFIBQHGGPVCR-VIZOYTHASA-N	266.272	2.790	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2ccc(C)cc2[C@H](C)CC1(C)C	260625029	YBZANMSMXQWIMT-OCCSQVGLSA-N	289.423	2.856	50	40	CFGB	
CC(C)(C)S(=O)(=O)/C(C#N)=C/c1sccc1C=O	165134	RCRLLIFOKKRHKY-UXBLZVDNSA-N	283.374	2.638	50	40	CFGB	
N#C/C(=C\Nc1ncccn1)C(=O)c1ccccc1Cl	100219350	ZVNQAZQIMPXCJC-MDZDMXLPSA-N	284.706	2.832	50	40	CFGB	
COc1ccc(N)cc1CN(CCCl)CCCl	1666089	PTOROJJPIOEJTG-UHFFFAOYSA-N	277.195	2.557	50	40	CFGB	
COC(=O)[C@]1(Cc2ccccc2)N=C(c2ccccc2)OO1	104203905	JBYWPAJNSNZGIU-QGZVFWFLSA-N	297.310	2.507	50	40	CFGB	
CC(=O)N/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1	6304135	XKMQLWARLWARNM-PGMHBOJBSA-N	292.342	2.646	50	40	CFGB	
C/C(=N\NC(=O)c1cc(Cl)ccc1O)c1ccccn1	4614369	VMQGYNDLPJZBRD-RQZCQDPDSA-N	289.722	2.595	50	40	CFGB	
CC(C)C(=O)O[C@H](C)OC(=O)Oc1ccc([N+](=O)[O-])cc1	100070542	BYKGARIWNYRANY-VIFPVBQESA-N	297.263	2.655	50	40	CFGB	
CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3	100072706	SXYIRMFQILZOAM-WJMRQGARSA-N	298.379	2.841	50	40	CFGB	in-man
N#CC1=C(N)Oc2c(ccc3[nH]ccc23)[C@@H]1c1cccnc1	40587749	GCDVZVJOAQJPEM-HNNXBMFYSA-N	288.310	2.781	50	40	CFGB	
COC(=O)CC[C@@H](Br)C(=O)c1cccs1	36108771	BMKPFCSJUDCDRY-SSDOTTSWSA-N	291.166	2.648	50	40	CFGB	
Cc1ccc(COc2ccc(Cl)cc2C(=O)NN)cc1	226319398	ZXCKCZULRCULJO-UHFFFAOYSA-N	290.750	2.831	50	40	CFGB	
CCOC(=O)N/N=C1\C(O)=Nc2ccc(C(C)C)cc21	6674922	CDDCABSHIXMNCH-UHFFFAOYSA-N	275.308	2.862	50	40	CFGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-]	44264272	DQWIASBLRHEQFI-HUUCEWRRSA-N	297.314	2.521	50	40	CFGB	
NNC(=O)c1cc(Cl)ccc1OCc1ccccc1	66154020	CMUXOVNBOJAVJQ-UHFFFAOYSA-N	276.723	2.523	50	40	CFGB	
CCC(/C=N/NC(=O)COc1ccccc1OC)CC	5020075	PTTLDJRXYMSPSR-MHWRWJLKSA-N	278.352	2.612	50	40	CFGB	
CCCc1n[nH]c2c1[C@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2	549819	MWKOBQBOYLBLSM-ZWNOBZJWSA-N	284.363	2.888	50	40	CFGB	
Br[C@@H]1[C@H]2C[C@@H]3[C@H]1[N+]3(Cc1ccccc1)C2	100012950	XHYJGHLAIHMIPV-SUMILCEPSA-N	265.174	2.551	50	40	CFGB	
CCOc1ccccc1OCC(=O)N/N=C\c1ccccc1	32675364	DRENUICQJXWKRE-PDGQHHTCSA-N	298.342	2.614	50	40	CFGB	
Cc1ccc(C)c(C[C@H](Br)C(=O)O)c1	76306419	SCXQVJUEQZBRDI-JTQLQIEISA-N	257.127	2.694	50	40	CFGB	
CCCCCC[C@@H](CCl)OCCOCCOCCO	5418348	XUHURNCJFRVKAE-AWEZNQCLSA-N	296.835	2.606	50	40	CFGB	
O=C(NNC(=O)C1[C@H]2CCCC[C@@H]12)c1ccccc1Cl	18067748	VYYSASPAEDDCKV-HWYHXSKPSA-N	292.766	2.537	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	5370426	GUTKBBVJADTGSP-LFIBNONCSA-N	283.287	2.749	50	40	CFGB	
CC(C)(C)CNC(=O)[C@@H](Br)C(C)(C)C	2570470	QBTLERYPTUZMCM-MRVPVSSYSA-N	264.207	2.958	50	40	CFGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1	122411	MOHHTCDPZACBRY-CEFACKQISA-N	290.750	2.542	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCO2	102591715	UVDLSJWAMABVIP-CSJJEYJLSA-N	286.331	2.567	50	40	CFGB	
O=C(Cc1ccc(Cl)cc1)N/N=C1/CCn2cccc21	55351283	SJJNPUNVXGXOKE-LGMDPLHJSA-N	287.750	2.608	50	40	CFGB	
CSC1=C(C#N)[C@@H](c2ccccc2C)CC(=O)N1	9110298	SYNHLRVTXPNRQX-LLVKDONJSA-N	258.346	2.697	50	40	CFGB	
C#CCn1cc(/C=N/NC(=O)c2ccco2)c2ccccc21	409372074	OGKZIGCZIXMSHM-WOJGMQOQSA-N	291.310	2.631	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)c1	97991811	QYTSNTXESMKIDG-LSZNUSBGSA-N	284.359	2.750	50	40	CFGB	
CO[C@@]1(C)C[C@@H](NC(=O)/C(C#N)=C\c2ccco2)C1(C)C	73274793	SKWWHHNAFBBZPP-PCRYFZAESA-N	288.347	2.506	50	40	CFGB	
CC(=O)N/N=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C	208206264	MODKMDWLRJNGLJ-JDAJCMJVSA-N	273.380	2.879	50	40	CFGB	
Cc1ccc(S(=O)(=O)OC(CCl)CCl)cc1	2559166	GGZHRTGYCGWDQN-UHFFFAOYSA-N	283.176	2.547	50	40	CFGB	
COc1ccc(/C=C(\C#N)c2nccn2C)cc1OC	40554064	RGXNFVHVNZNWHM-XYOKQWHBSA-N	269.304	2.501	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)c2cccc(F)c2)c1	370627	USZWLWBSAARQRT-LICLKQGHSA-N	256.280	2.898	50	40	CFGB	
O=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1	3196376	VPFJNVZPSMYAON-NTCAYCPXSA-N	269.344	2.649	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(F)cc2)cc1	4753665	JJHXRGDVFPQIHK-WOJGMQOQSA-N	286.306	2.988	50	40	CFGB	
Cc1nn(Cc2cccc(C(=O)Cl)c2)c(C)c1[N+](=O)[O-]	6254020	NNTQTYUZYFWITH-UHFFFAOYSA-N	293.710	2.835	50	40	CFGB	
CCOc1ccc(/C=N/NC(=O)c2cccs2)c(O)c1	3575560	ODCUXPIYPPBNEW-OQLLNIDSSA-N	290.344	2.616	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1C	97610458	ABFUSBPZYZFLIN-UVTDQMKNSA-N	295.342	2.959	50	40	CFGB	
Cn1nccc1C(=O)NN=C1CCC(c2ccccc2)CC1	37145	WZCXCHYILRAESX-UHFFFAOYSA-N	296.374	2.864	50	40	CFGB	
CS(=O)(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	9256715	FKRNYTXBZSZRLJ-RUDMXATFSA-N	276.144	2.902	50	40	CFGB	
O=C(Cl)Cc1cc(Br)ccc1F	75902443	QXXDIKSDNXMGKM-UHFFFAOYSA-N	251.482	2.896	50	40	CFGB	
O=C(CCCC[C@H]1CCSS1)NCCn1cccn1	524728999	CEOZSSXKKKUYPU-LBPRGKRZSA-N	299.465	2.713	50	40	CFGB	biogenic
Cc1ccc(C(=O)N/N=C/c2cn(C)c3ccccc23)o1	573533	XXVJFSHSWNNXSR-RQZCQDPDSA-N	281.315	2.844	50	40	CFGB	
Cc1cc(C)c(OCC(=O)N/N=C/c2ccco2)c(C)c1	356801	CIESUVJYMQWROD-RQZCQDPDSA-N	286.331	2.734	50	40	CFGB	
COC(=O)c1c(C)csc1NC(=O)OCCCl	2380493	YENBDWOTBYXPRR-UHFFFAOYSA-N	277.729	2.630	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1c(Cl)nc2sccn12	33381034	ZFKFCPJDZOKTGP-ALCCZGGFSA-N	281.724	2.519	50	40	CFGB	
COC(=O)/C(C#N)=C(C)/C=C\c1ccc(OC)cc1	17109753	FSSNVGAAFDTPRH-UZWKOAOVSA-N	257.289	2.721	50	40	CFGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	222958	YBZCWFZGAQKAQC-WOJGMQOQSA-N	298.342	2.943	50	40	CFGB	
COc1cc(OC(F)(F)F)ccc1C(=O)Cl	2528350	WPKJWXYDSOUNAV-UHFFFAOYSA-N	254.591	2.973	50	40	CFGB	
Cc1cccc2c1O[C@H](CI)C2	218735891	OFIMQDMFBJVUIS-VIFPVBQESA-N	274.101	2.734	50	40	CFGB	
CCO[Si](CCCC[C@@H]1CO1)(OCC)OCC	195872182	HHPPHUYKUOAWJV-GFCCVEGCSA-N	262.422	2.604	50	40	CFGB	
C[C@H]1CC(C)(C)N([C@H](C)C(=O)NN)c2ccc(Cl)cc21	223195659	KLNBMOSPSYWYEM-VHSXEESVSA-N	295.814	2.811	50	40	CFGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1O	83292546	CAPYSJSTWMGAAE-WQRHYEAKSA-N	298.342	2.863	50	40	CFGB	
CCOC(=O)[C@@H](Br)C1CCC(F)CC1	1857794132	UJXNJWLWBJQIAN-HACHORDNSA-N	267.138	2.841	50	40	CFGB	
O=C(CCN1CCCCC1)N/N=C1/CCCc2ccccc21	102948371	NODQPKNEFRCCFS-ZPHPHTNESA-N	299.418	2.719	50	40	CFGB	
CCN(CC)c1ccc(C(=O)N/N=C/c2ccncc2)cc1	3245730	FMBKKJAFYKABBL-CPNJWEJPSA-N	296.374	2.692	50	40	CFGB	
O=c1ccc2ccc(OCCCBr)cc2[nH]1	22053347	RHJNUFWFQIAFTD-UHFFFAOYSA-N	282.137	2.692	50	40	CFGB	in-vitro
CCOC(=O)c1oc2ccccc2c1NC(=O)CCl	548254	ULIYCFVMHVZBIO-UHFFFAOYSA-N	281.695	2.787	50	40	CFGB	
NC(=O)N/N=C/c1ccc(-c2nc3ccccc3s2)o1	542639	XGOUFHHQELQUEU-VIZOYTHASA-N	286.316	2.559	50	40	CFGB	
O=C(Nc1cccnc1)[C@H](Cl)C(=O)c1ccccc1	1466074	MPVKZBIYTCUWTJ-GFCCVEGCSA-N	274.707	2.510	50	40	CFGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1Cl	59334089	JMGGFOUWONEDEC-WTKPLQERSA-N	299.157	2.997	50	40	CFGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(O)cc1	100921344	DBDYIVALDDTKPD-LKMYFCJFSA-N	272.348	2.669	50	40	CFGB	
CC1(C)O[C@@H]2[C@H](CCl)OC(C)(C)O[C@H]2[C@H](CCl)O1	104091789	HAHIUCXCJSRCCO-AATLWQCWSA-N	299.194	2.504	50	40	CFGB	
O=C(CBr)c1ccc([N+](=O)[O-])cc1Cl	20051111	OPLGQQXRXNKTPK-UHFFFAOYSA-N	278.489	2.826	50	40	CFGB	
Cc1cccc(NCC(=O)N/N=C/c2cccc(C)c2O)c1	4746730	XMSGPCHUQJBDSP-VXLYETTFSA-N	297.358	2.571	50	40	CFGB	
CCOC(=O)c1ccc(CCBr)cc1	39278490	QTHYTANYIIPXOI-UHFFFAOYSA-N	257.127	2.801	50	40	CFGB	
CC(C)[C@H](Cl)C(=O)Nc1cnn(CCCCF)c1	96509030	ZFMFGEOMOXSJBS-NSHDSACASA-N	275.755	2.835	50	40	CFGB	
Cn1cccc1CC(=O)N/N=C\c1cccc2ccccc12	5204120	NSGQVIVECWCUAU-UYRXBGFRSA-N	291.354	2.871	50	40	CFGB	
CCCc1[nH]nc2c1[C@@H](c1cccs1)C(C#N)=C(N)O2	6664231	FGNXPJNRSJATRO-LLVKDONJSA-N	286.360	2.642	50	40	CFGB	
COc1ccc([C@@H]2CCCN2C(=O)CCl)cc1	37654079	SQPAYSUNQXZZOE-LBPRGKRZSA-N	253.729	2.598	50	40	CFGB	
O=C(CCl)Nc1nnc(-c2ccc(F)cc2)s1	26422219	GHBBAZLICRNQTL-UHFFFAOYSA-N	271.704	2.522	50	40	CFGB	
Cc1nn(-c2ccccc2)c2[nH]c(=O)cc(CCl)c12	4929221	VUEYIEHELMKAFE-UHFFFAOYSA-N	273.723	2.761	50	40	CFGB	
O=[N+]([O-])c1cc(F)c(F)c(CBr)c1	95929726	MVNKCWHGFRTBNO-UHFFFAOYSA-N	252.014	2.768	50	40	CFGB	
CCOc1cccc(/C=C(\C#N)C(=O)N2CCCC2)c1	47219353	QYCBFSDPGIQXLH-GXDHUFHOSA-N	270.332	2.615	50	40	CFGB	
O=[N+]([O-])c1ccc(/C=C/C2(CCl)OCCO2)cc1	1569544	HOUUSEDRFDXIKN-AATRIKPKSA-N	269.684	2.590	50	40	CFGB	
COC(=O)CCCCCOc1ccc(N=C=O)cc1	114671062	UTAIOADYNREFIH-UHFFFAOYSA-N	263.293	2.766	50	40	CFGB	
COC(=O)[C@@H](Cl)c1cccc(Br)c1	50977918	LBSWUNFDIOLNBV-QMMMGPOBSA-N	263.518	2.902	50	40	CFGB	
O=C(O)C[C@@H](Br)C(=O)c1ccc(Cl)cc1	2149651	IGOYRYSKKLREIH-MRVPVSSYSA-N	291.528	2.761	50	40	CFGB	in-vitro
CCN(CC)c1ncc(/C=N/NC(=O)OC(C)(C)C)s1	7947174	GGKCPZSTXSDEFY-OQLLNIDSSA-N	298.412	2.848	50	40	CFGB	
ICCCCO[C@@H]1CCCCO1	34400978	GTUOMTZFCNDDBA-SECBINFHSA-N	284.137	2.745	50	40	CFGB	in-vitro
C[C@@H](C(=O)O)N1CC=C(CBr)c2ccccc21	504523241	LBNPYYCPTJULOX-VIFPVBQESA-N	296.164	2.758	50	40	CFGB	
Cn1cccc1/C=N/NC(=O)c1cc2ccccc2cc1O	262860	NXNGYVZNLBOYEJ-WOJGMQOQSA-N	293.326	2.648	50	40	CFGB	
C[C@@H]1CCC/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])C1	4587763	YADQAGXYGFANHJ-YMQUWAGYSA-N	275.308	2.891	50	40	CFGB	
CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OC	59133099	AVDBUCSXLBQIFP-JYRVWZFOSA-N	288.347	2.525	50	40	CFGB	
CCOc1ccc(/C=N/NC(=O)OC(C)(C)C)c(O)c1	3574694	XLNMWRXVYZEKEU-OQLLNIDSSA-N	280.324	2.650	50	40	CFGB	
Cc1ccccc1/C=C(/C#N)C(=O)NC1CCCC1	48405213	DMJQCYULGXYUTR-UVTDQMKNSA-N	254.333	2.961	50	40	CFGB	
Cn1c(SCCCCl)nnc1-c1ccco1	228925259	BZXRGOZBCYBXSG-UHFFFAOYSA-N	257.746	2.796	50	40	CFGB	
O=C(CNc1ccccc1)N/N=C/C=C/Cc1ccco1	3042298	FEFYHWRMOPJHBB-MFVXBXEFSA-N	283.331	2.592	50	40	CFGB	
NNC(=O)c1ccc([C@@H]2C[C@@H]2c2ccccc2)cc1	1244795	NCCXTIMHSSGUEJ-CABCVRRESA-N	252.317	2.561	50	40	CFGB	
COc1cc([N+](=O)[O-])cc(C(=O)Cl)c1OC(F)F	78406275	VOPARRQLPSGSKG-UHFFFAOYSA-N	281.598	2.584	50	40	CFGB	
CCO[Si](CC#C[Si](C)(C)C)(OCC)OCC	575182280	UIPZDTGLUZMLQM-UHFFFAOYSA-N	274.509	2.916	50	40	CFGB	
CN(C)c1ccc2nc(NC(=O)CCl)sc2c1	20131858	BBQGDGBHRWYPHA-UHFFFAOYSA-N	269.757	2.540	50	40	CFGB	
CCO/C=N/C1=C(C#N)CN(Cc2ccccc2)CC1	17060372	UIAQSYUPOHHEQV-QGOAFFKASA-N	269.348	2.735	50	40	CFGB	
O=C(N/N=C\Cc1ccccc1)N/N=C/Cc1ccccc1	17311383	NDZZRDLLIJFIDE-HJGWPUIUSA-N	294.358	2.743	50	40	CFGB	
COC(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1	99978	UCKJLRXDNWBTDT-WEVVVXLNSA-N	296.120	2.538	50	40	CFGB	
CCO[Si](OCC)(OCC)c1cc(C)c(C)cc1C	200526330	QTSJGSQYBRBKSD-UHFFFAOYSA-N	282.456	2.867	50	40	CFGB	
Cn1cccc1C(=O)N/N=C/C1=CC[C@H]2C[C@H]1C2(C)C	100670416	ZSONRNFVUFWZGU-SUDGVTIPSA-N	271.364	2.733	50	40	CFGB	
CC(C)(C)S(=O)(=O)/C(C#N)=C\Nc1ccc(F)cc1	2561582	SWQZGKTVXMZADX-XFXZXTDPSA-N	282.340	2.816	50	40	CFGB	
CN(C)C(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	59334592	SJXUJCJORFCGBB-POHAHGRESA-N	268.238	2.701	50	40	CFGB	
COc1ccc(NC(=O)c2nnc(CCl)s2)cc1	12760874	RPCZBDYLOGCODX-UHFFFAOYSA-N	283.740	2.538	50	40	CFGB	in-vitro
CCOc1ccc(N(CCC#N)C(=O)CCl)cc1	4219002	LSZGOLQEGVGVAJ-UHFFFAOYSA-N	266.728	2.571	50	40	CFGB	
COc1ccc(C(=O)N/N=C/[C@H]2CC=CCC2)cc1OC	5444377	MJTJQLYBJSPXOF-OOIIIRTPSA-N	288.347	2.776	50	40	CFGB	
CCOOP(=O)(C/C(C)=C/C(=O)OCC)OOCC	100069360	VLCUUQRBQHMMAF-CSKARUKUSA-N	296.256	2.625	50	40	CFGB	
CCC(CC)C(=O)N[C@@H](O)C(Cl)(Cl)[C@@H](C)Cl	1594975	CWXZXUVFQFMCGG-MUWHJKNJSA-N	290.618	2.658	50	40	CFGB	
COC(=O)/C(C#N)=C\Nc1cc(Cl)cc(Cl)c1	10213133	OPXRHHKNZCKAKQ-SREVYHEPSA-N	271.103	2.986	50	40	CFGB	
CCCc1n[nH]c2c1[C@H]([C@H]1C=CCCC1)C(C#N)=C(N)O2	549821	MWKOBQBOYLBLSM-GXFFZTMASA-N	284.363	2.888	50	40	CFGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\C=C\c1ccco1	33732275	YJUFZIHQWMJWQS-PGODXZJGSA-N	299.286	2.546	50	40	CFGB	
C[Si](C)(C)Oc1nccc(NC(=O)c2ccccc2)n1	195829718	APNFKCIBTHPEJR-UHFFFAOYSA-N	287.395	2.943	50	40	CFGB	
O=C(NNc1ccccc1)Nc1nnc(C2CC2)s1	48767936	FQXOFTOKXHOTCZ-UHFFFAOYSA-N	275.337	2.564	50	40	CFGB	
CCc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1	16437927	PGYCFHPNHYXXDH-RVDMUPIBSA-N	254.333	2.778	50	40	CFGB	
COc1cn(-c2ccc(F)cc2)c(CCl)cc1=O	226795113	OOBLXQHSGFTAHH-UHFFFAOYSA-N	267.687	2.724	50	40	CFGB	
COC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccsc1	495319	MPQICRVAVQERMV-LLVKDONJSA-N	292.385	2.547	50	40	CFGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccs1	408878320	AHWKBHFBDNHXTO-OQLLNIDSSA-N	274.345	2.829	50	40	CFGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2ccco2)c1	409359982	CTZHISBFENZKQT-MHWRWJLKSA-N	256.305	2.589	50	40	CFGB	
O=C(O)[C@@H](Br)Cc1ccc(Cl)cc1	38235912	IRIZMNJJUBLCHW-QMMMGPOBSA-N	263.518	2.731	50	40	CFGB	
N#C/C(=C/c1ccccc1F)C(=O)NC1CCCC1	48405210	SGJNLFLKUBHJQG-XFXZXTDPSA-N	258.296	2.791	50	40	CFGB	
Cc1ccc2c(c1)N(C(C)(C)C(=O)NN)C(C)(C)C[C@@H]2C	223207935	SSDHGCLISCJNET-LBPRGKRZSA-N	289.423	2.856	50	40	CFGB	
O=C(CCl)N(Cc1cccnc1)c1cccc(O)c1	199755443	KXDMWYSZLVACLL-UHFFFAOYSA-N	276.723	2.559	50	40	CFGB	
C[C@@]12CC[C@@H]([C@@H](Br)C1=O)[C@]2(C)CCC(=O)O	242687471	UHBNKGHKJHETSR-MGCVSALHSA-N	289.169	2.620	50	40	CFGB	
CCCCCCCNC(=O)CI	1591779	GQHYYLBQXPYFDY-UHFFFAOYSA-N	283.153	2.508	50	40	CFGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-]	44264275	DQWIASBLRHEQFI-LSDHHAIUSA-N	297.314	2.521	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccncc2)c(Cl)c1	9190583	KFDDTIHJYCFMGA-RQZCQDPDSA-N	273.723	2.807	50	40	CFGB	
CCOC(=O)c1cc(NC(=O)CCl)ccc1Cl	6956100	KCFQCPPCLXLPCQ-UHFFFAOYSA-N	276.119	2.694	50	40	CFGB	
COc1ccc(C(=O)N/N=C/C2CCCCC2)cc1	8462226	IYYRZIXGEMKDBH-LFIBNONCSA-N	260.337	2.991	50	40	CFGB	
COC(=O)C(C)(C)C(=O)[C@@H](Br)c1ccccc1	4751465	KQEWXZSJNNSOTI-JTQLQIEISA-N	299.164	2.891	50	40	CFGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(C#N)cc2)n1	409380081	HCEZSQIZROZOKU-OVCLIPMQSA-N	276.299	2.619	50	40	CFGB	
Cc1ccc(C(=O)NNc2oc(C(C)(C)C)nc2C#N)cc1	72238680	ZUVUODBYDYJGJS-UHFFFAOYSA-N	298.346	2.909	50	40	CFGB	
O=C(O)[C@H](Br)c1ccc(Br)cc1	96511413	AFORTQUBOHDILI-SSDOTTSWSA-N	293.942	2.970	50	40	CFGB	
O=C1[C@H](Br)CCCN1c1cccc(F)c1	68592685	LQTPDMRRADKQOM-SNVBAGLBSA-N	272.117	2.716	50	40	CFGB	in-vitro
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccccc1F	28216564	BNHVGDBPMFBXMQ-VXLYETTFSA-N	298.321	2.597	50	40	CFGB	
COc1ccc(-c2ccc(CCC(=O)NN)o2)cc1Cl	216925043	UPNUHLUABKSWIF-UHFFFAOYSA-N	294.738	2.531	50	40	CFGB	
C[C@H]1[C@@H](C)C(=O)[C@@H](Br)[C@H]2C[C@@H](O)CC[C@]21C	5014717	LIIFSZVNNQGFRU-PEAMCHOPSA-N	289.213	2.772	50	40	CFGB	
CCc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)cc1	492823	FVORLQORQIBCAE-OAHLLOKOSA-N	298.342	2.504	50	40	CFGB	
CCCc1n[nH]c2c1[C@@H]([C@@H]1C=CCCC1)C(C#N)=C(N)O2	549820	MWKOBQBOYLBLSM-MFKMUULPSA-N	284.363	2.888	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cn1	123652	DTGFOEOUBSHPKC-VXLYETTFSA-N	278.315	2.635	50	40	CFGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1	3178707	IDANFUMLGOEHIB-WOJGMQOQSA-N	296.326	2.546	50	40	CFGB	
Cc1ccc(-n2nc(C)cc2NC(=O)CCl)cc1	3407872	SRFDENIIJJBKHG-UHFFFAOYSA-N	263.728	2.666	50	40	CFGB	
COc1ccc(CC(=O)N/N=C(\C)C(C)(C)C)cc1	4507907	YMIFUQCRFPHCFM-LFIBNONCSA-N	262.353	2.776	50	40	CFGB	
COc1ccc(-c2ccc(/C=C/C(=O)NN)o2)cc1Cl	226300571	PWWAPKQZKNBPNM-QPJJXVBHSA-N	292.722	2.612	50	40	CFGB	
Cc1occc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	525015	LEAOFOQJTCBLCZ-UHFFFAOYSA-N	293.710	2.708	50	40	CFGB	
O=C(N/N=C/c1ccc2ncccc2c1)c1ccccc1O	5516378	SJHAOFRPBUJQDE-YBFXNURJSA-N	291.310	2.704	50	40	CFGB	
N#C/C(=C\c1ccccc1)C(=O)NCc1cccs1	215969191	UURPGCQHVWKRPQ-UKTHLTGXSA-N	268.341	2.971	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1	83319365	CNEUZNCXIBIMPM-HNMKQIAWSA-N	296.370	2.959	50	40	CFGB	
O=C(CCCCCl)Nc1cccc([N+](=O)[O-])c1	20199085	QSFZZLZPOIHYOG-UHFFFAOYSA-N	256.689	2.942	50	40	CFGB	
CCN(CC)C(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1	408772669	FCNYACXDIGRWHK-XFFZJAGNSA-N	278.739	2.821	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)o1	33726723	UOBFWNUTPLFIKT-LICLKQGHSA-N	270.332	2.898	50	40	CFGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cccn1C)c1ccccc1	192545617	VXIVLRMBAAUTLW-LKKYZFDUSA-N	279.343	2.809	50	40	CFGB	
COc1ccc(CC(=O)N/N=C(\C)c2ccccc2)cc1	5620910	XQARNHLIPCDKPL-QGOAFFKASA-N	282.343	2.778	50	40	CFGB	
N#CC1=C(SCC(=O)c2ccccc2)N2CCC[C@H]2N=C1	1275397	YNIOTIPYSCCOMI-HNNXBMFYSA-N	297.383	2.844	50	40	CFGB	
COC(=O)c1ccc(C(=O)C(C)(C)CCl)cc1	575362353	ILBGDXDATAXNND-UHFFFAOYSA-N	254.713	2.921	50	40	CFGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1O	71284	ZTMCPRVQZFXHTP-UKTHLTGXSA-N	294.310	2.946	50	40	CFGB	biogenic
N#C/C(=C\c1ccc(OCC(N)=O)cc1)c1ccc(F)cc1	561192	ORALANZPBXTWST-NTEUORMPSA-N	296.301	2.754	50	40	CFGB	
Cc1cc(=O)oc2cc(OCCBr)ccc12	1593968	XLLJFWFFIDCGMI-UHFFFAOYSA-N	283.121	2.875	50	40	CFGB	biogenic
Clc1ccc(C2(CBr)OCCO2)cc1	2510211	XKXPROBTEJTMQK-UHFFFAOYSA-N	277.545	2.935	50	40	CFGB	
CCCc1[nH]nc2c1[C@H](c1cccs1)C(C#N)=C(N)O2	6664232	FGNXPJNRSJATRO-NSHDSACASA-N	286.360	2.642	50	40	CFGB	
CCCCn1c(=O)c2ccccc2n2c(CCl)nnc12	408712627	CLWXBBIOSRQNID-UHFFFAOYSA-N	290.754	2.583	50	40	CFGB	
COc1ccc(COC(=O)N/N=C/c2ccco2)cc1	327514	XZBPASHQCPVERK-OQLLNIDSSA-N	274.276	2.549	50	40	CFGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccccn1	13736768	CLYCWYSUBBNCIC-ODLFYWEKSA-N	291.310	2.704	50	40	CFGB	
Cc1c2cc(Br)ccc2nc(CCl)[n+]1[O-]	4744248	SAKPKIFRBRIHNP-UHFFFAOYSA-N	287.544	2.678	50	40	CFGB	
O=c1nc(CCl)nc2scc(-c3ccccc3)n12	57312076	PZSRQKPYXQJLFR-UHFFFAOYSA-N	277.736	2.557	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@]32C)o1	100182399	RJTBTWJQVJQZGT-RHDXOTHVSA-N	289.379	2.622	50	40	CFGB	
O=C(Cl)c1cccc(C(=O)Cl)c1C(=O)Cl	114795628	VXPZSDUXKPVHJC-UHFFFAOYSA-N	265.479	2.824	50	40	CFGB	
CC(=O)N/N=C/c1cc2cc(C)ccc2nc1Cl	408728332	JUAQIGPAMMJOMY-VIZOYTHASA-N	261.712	2.667	50	40	CFGB	
Cc1cccc2c(=O)[nH]c(/C(C#N)=C\c3ccco3)nc12	98006893	WULDOBQKIJKFLP-FLIBITNWSA-N	277.283	2.889	50	40	CFGB	
COC1(OC)[C@@]2(Cl)CC[C@]1(Cl)[C@H](Cl)[C@@H]2Cl	3096483	VLEBYRRBGMTEDL-SOSBWXJGSA-N	294.005	2.953	50	40	CFGB	
CCOC(=O)N/N=C(\C)c1ccc(Cl)c([N+](=O)[O-])c1	6327347	KWLZHEYUNPLVKR-NTUHNPAUSA-N	285.687	2.718	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1-n1cccc1)C1CC1	4867107	YXEVSBWBJAPPMZ-SFQUDFHCSA-N	267.332	2.993	50	40	CFGB	
CCOCCCNC(=O)/C(C#N)=C/c1ccc(C)s1	3345192	PRSJOIQMQAOYKS-FMIVXFBMSA-N	278.377	2.506	50	40	CFGB	
COc1cccc(/C(C)=N\NC(=O)c2ccoc2C)c1	13896842	BBKCWMNJRRXXKJ-YBEGLDIGSA-N	272.304	2.751	50	40	CFGB	
Fc1ccc2c(c1)C[C@@H](CI)O2	85538615	OCRUXSUOYMWUSZ-QMMMGPOBSA-N	278.064	2.564	50	40	CFGB	
C/C(=N/NC(=O)Cc1ccc(C)cc1)c1ccc(O)cc1	5968258	QUDXUIXXASNBDK-AQTBWJFISA-N	282.343	2.784	50	40	CFGB	
N#Cc1ccc(NC(=O)NNc2cccc(C#N)c2)cc1	32779424	BGQXXLDSLOCZML-UHFFFAOYSA-N	277.287	2.579	50	40	CFGB	
O=C(NNc1cccc(Cl)n1)Nc1ccccc1	480137	OLAHHUKOUBFQPS-UHFFFAOYSA-N	262.700	2.884	50	40	CFGB	
COc1cccc([C@H]2CCCN2C(=O)CCl)c1	37654137	ZQQWOJHESAIQJL-GFCCVEGCSA-N	253.729	2.598	50	40	CFGB	in-vitro
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(N)=O)c2C)c1	59426971	NEJNBFBKPPISOG-GIJQJNRQSA-N	284.363	2.713	50	40	CFGB	
O=C(/C=C/c1cc2ccccc2o1)NNC(=O)c1ccco1	9954527	WRZBNJOACXVBDP-BQYQJAHWSA-N	296.282	2.500	50	40	CFGB	
CCC[C@H](C)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	115448	PKZSLSOLFRCPGF-ZANVPECISA-N	260.337	2.770	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C/c1cn(C)c2ccccc12	303616	VZJOSOWJRGXKEC-XYOKQWHBSA-N	267.332	2.610	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc(N(C)C)cc2)s1	2790420	JVQUWEUPNWAFMO-MHWRWJLKSA-N	287.388	2.886	50	40	CFGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(O)cc2)c1	3032060	SZTPIOPYELMTNM-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1	58536690	CVZUPVNRSVCCJO-WQLSENKSSA-N	285.303	2.561	50	40	CFGB	
COc1cc(/C=C(\C#N)c2ccccn2)ccc1O	5068154	VNGWLLJZPDZEQS-XYOKQWHBSA-N	252.273	2.860	50	40	CFGB	
CNC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)o1	409019051	XYGFBDSIZHTZRP-FLIBITNWSA-N	270.263	2.739	50	40	CFGB	
CCOc1ccccc1/C=C(\C#N)C(=O)N[C@@H](C)CC	408800338	MGUPWUYLPOIPED-LQELWAHVSA-N	272.348	2.907	50	40	CFGB	
CCOC(CCCI)OCC	74941327	SICAGLWXWIDTFM-UHFFFAOYSA-N	272.126	2.601	50	40	CFGB	
O=[N+]([O-])c1cccc(/C=C\C2(CCl)OCCO2)c1	31729416	MZNYNOLANBWODO-PLNGDYQASA-N	269.684	2.590	50	40	CFGB	
COc1cccc(/C(C)=N\NC(=O)c2cccs2)c1	13943674	PHAJSBGLLRTSAJ-GDNBJRDFSA-N	274.345	2.911	50	40	CFGB	
COc1cccc(C(=O)N/N=C(\C)c2ccccc2O)c1	131769	AQTHOBPJHYELFS-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)o1	247674	IQALNIUFOKLGCJ-LZYBPNLTSA-N	292.722	2.771	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2cccc(C)c2O)cc1	3102517	ZEHZQVNKTPGIJP-VXLYETTFSA-N	297.358	2.571	50	40	CFGB	
COC(=O)[C@@H](n1cccc1C=C(C#N)C#N)C(C)(C)C	1393903	ZICDTZHYSGAYMV-CYBMUJFWSA-N	271.320	2.679	50	40	CFGB	
CCOC(=O)/C(C#N)=C(\Nc1ccccc1)SC	13401345	SXJJUZCQEIWUAO-VAWYXSNFSA-N	262.334	2.760	50	40	CFGB	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)CCl	34135208	ZNJWTNDBZSOFFP-SECBINFHSA-N	263.765	2.734	50	40	CFGB	
Nc1nc2c(s1)[C@@H](Cl)C(=O)c1ccccc1-2	97436746	KVCZMXLSFUCECI-ZETCQYMHSA-N	250.710	2.869	50	40	CFGB	
CCC(=O)Nc1cc(NC(=O)CBr)ccc1C	35605528	VBTMXRKIQHZDKE-UHFFFAOYSA-N	299.168	2.677	50	40	CFGB	
O=C(NNc1ccccc1C(F)(F)F)c1cccnc1	44866550	HNTFXQVFFHPCSM-UHFFFAOYSA-N	281.237	2.857	50	40	CFGB	
O=C(NNc1c(F)c(F)cc(F)c1F)c1ccco1	2652171	VUWRZWWHYRYMHG-UHFFFAOYSA-N	274.173	2.593	50	40	CFGB	
CC(C)C(=O)N/N=C/c1ccc(Br)cc1	18194415	SIRRQFFWJGNVAA-NTUHNPAUSA-N	269.142	2.555	50	40	CFGB	
Cn1cc(C(=O)NNc2ccc(F)cc2)c(C(C)(C)C)n1	92236397	JTAJMTQBYXFDER-UHFFFAOYSA-N	290.342	2.614	50	40	CFGB	
C[C@H](Br)C(=O)Nc1c(F)cccc1F	152384	QXVRLWPJFYXSJC-YFKPBYRVSA-N	264.069	2.687	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc(O)cc1	12403566	NFOBNNQARCVNTL-LFIBNONCSA-N	254.289	2.546	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1nc2c(s1)C[C@H](C)CC2	7067227	FKIBZVBNVVLQKY-NCXKZPMSSA-N	291.376	2.650	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)NC(C)(C)C)cc1	499416	XOLOYJDJGBQPJB-FMIVXFBMSA-N	258.321	2.517	50	40	CFGB	
BrCC[C@H](Br)CBr	100004031	UKFHIKGQGFCINK-BYPYZUCNSA-N	294.812	2.930	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2)cc1C	59720749	RSDMZLQQIOAHLC-YBFXNURJSA-N	281.359	2.866	50	40	CFGB	
Fc1ccc(CI)cc1F	128761592	NLNQFTOHIXJXCF-UHFFFAOYSA-N	254.017	2.900	50	40	CFGB	
CCOc1ccccc1/C=N\NC(=O)Cc1ccccc1	33322899	XHRPOLYSXSMSPA-AQTBWJFISA-N	282.343	2.778	50	40	CFGB	
COC(OC)([C@@H](Cl)C(F)(F)F)C(F)(F)F	91251948	LZTPVASNAAINBI-GSVOUGTGSA-N	260.561	2.708	50	40	CFGB	
CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C	5337637	KZKWAFHLMPUCAU-LICLKQGHSA-N	269.348	2.873	50	40	CFGB	
COc1cccc(OCC(=O)NN=C2CCCCCC2)c1	564295	LWZLBXIWHFNKBY-UHFFFAOYSA-N	290.363	2.900	50	40	CFGB	
O=C(N/N=C/c1ccccc1Br)c1ccco1	554832	WSDPBKRSLDZOIL-RIYZIHGNSA-N	293.120	2.806	50	40	CFGB	
O=C(NCCCl)N[C@H]1CCSc2ccccc21	6117495	FPMGZVWNTSTEOW-JTQLQIEISA-N	270.785	2.762	50	40	CFGB	
CCOC(=O)/C(C#N)=C\Nc1cc(Cl)ccc1F	100205482	CBCSJQUTUDNNLJ-FPLPWBNLSA-N	268.675	2.862	50	40	CFGB	
COc1ccc(CSCC(=O)NN=C2CCCC2)cc1	52251	AIVUWEJMNRAKBC-UHFFFAOYSA-N	292.404	2.975	50	40	CFGB	
COc1ccc([N+](=O)[O-])cc1N(C)C(=O)CCCCl	1657245	HRNFICKVOQZRDP-UHFFFAOYSA-N	286.715	2.585	50	40	CFGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1[C@]12C=C[C@@H](CC1)C2	100714608	GWGGFXVBQUTMEE-UDTVLSCZSA-N	282.343	2.690	50	40	CFGB	
NC(=O)N/N=C1\CCCC[C@@H]1c1nccc2ccccc12	5246734	RJVXCAXXHJEMMM-AZDDOORDSA-N	282.347	2.917	50	40	CFGB	
Cc1ccc(NC(=O)NNc2nc(C)cc(C)n2)cc1	14016483	YHAQGPFFLZIKAR-UHFFFAOYSA-N	271.324	2.550	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(Br)o1	408797899	HGZAETFENIFKFR-GTUWVTDSSA-N	297.152	2.864	50	40	CFGB	
C[C@H]1CN1[P@](=O)(N1CC2CCC(CC2)C1)N1C[C@H]1C	301054432	LOCSMOXTUMTLBZ-RDKZTAAMSA-N	283.356	2.625	50	40	CFGB	
COc1ccccc1OCC(=O)N/N=C(\C)C(C)(C)C	408783609	PBDNDYDZZUHCQR-LFIBNONCSA-N	278.352	2.612	50	40	CFGB	
COc1cc(C)c(/C=N/NC(=O)c2ccccc2)cc1OC	408547967	BCKDMUTYJUCXLC-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
Cc1cc(Cl)ccc1-c1ccc(CCC(=O)NN)o1	216924221	HLBBNPIDJHTENH-UHFFFAOYSA-N	278.739	2.831	50	40	CFGB	
CC(C)c1ccc(CN2CCN(C(=O)CCl)CC2)cc1	20268089	BXZZMVFMFMOOLE-UHFFFAOYSA-N	294.826	2.693	50	40	CFGB	
CO[C@@H]1C(=O)C=CO[C@H]1CO[Si](C)(C)C(C)(C)C	195752555	GWGVOINFXAUNAY-NWDGAFQWSA-N	272.417	2.505	50	40	CFGB	
Clc1ncc(CI)s1	117997284	RHWVXAOTBJLWPC-UHFFFAOYSA-N	259.499	2.732	50	40	CFGB	
O=C(N/N=C\c1ccc(Br)s1)c1ccco1	13115012	LVEAILHGWGOIGN-SDQBBNPISA-N	299.149	2.868	50	40	CFGB	
COc1ccc(C[N@@]2C[C@@]2(C)CBr)cc1	1857622560	GWZBGTBZXJLPDO-OCCSQVGLSA-N	270.170	2.664	50	40	CFGB	
C/C(=N\NC(=O)COc1ccccc1C)c1ccccc1O	100010465	ZBVRTBOZVFPVJX-QGOAFFKASA-N	298.342	2.620	50	40	CFGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)NCc1ccco1	262431	XHIXJWPDSSFZJI-XYOKQWHBSA-N	291.310	2.984	50	40	CFGB	
CN(/N=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1	4896010	AGAWXPDBUREQRM-WJDWOHSUSA-N	283.287	2.701	50	40	CFGB	
CCOc1ccccc1/C=N/NC(=O)CNc1ccccc1	7009135	RLZWKCNGWBRRTN-XDHOZWIPSA-N	297.358	2.648	50	40	CFGB	
O=C(N/N=C/c1ccncc1)c1cc(F)c(F)cc1Cl	59461479	WKKYXFMESLXKFL-CNHKJKLMSA-N	295.676	2.777	50	40	CFGB	
CCCC/C(C)=N/NC(=O)Cn1ccc(C(F)(F)F)n1	4964603	HFDQMLWEPYFBNS-CXUHLZMHSA-N	290.289	2.584	50	40	CFGB	
O=S1(=O)C[C@H](Sc2ccc(Cl)cc2)[C@H](Cl)C1	71605944	NWPMWWNEXNOQGK-ZJUUUORDSA-N	297.228	2.837	50	40	CFGB	
CCCCOC(=O)[C@@H](Br)C(F)(F)F	80440452	RLQAQSNFGWQIML-RXMQYKEDSA-N	263.053	2.656	50	40	CFGB	
CO[C@H]1C(=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C	195817614	GWGVOINFXAUNAY-NEPJUHHUSA-N	272.417	2.505	50	40	CFGB	
CCO[Si](CC[C@H]1CC[C@@H]2O[C@@H]2C1)(OCC)OCC	169748386	UDUKMRHNZZLJRB-HZSPNIEDSA-N	288.460	2.992	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)o1	342954	SGYXFNPXFYTOBA-RQZCQDPDSA-N	267.288	2.833	50	40	CFGB	
CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3cccnc3)[C@H]1C2	7737288	LORHZZVWZDYJHW-DTVMNVQKSA-N	269.348	2.790	50	40	CFGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)C(C)C)cc1	44027225	QGKNSRKYCXKQRR-MDWZMJQESA-N	257.289	2.605	50	40	CFGB	
N#C/C(C(=O)c1ccccc1)=C1/Nc2ccccc2C1=O	100593603	CZROGHJNLQCOMM-SQFISAMPSA-N	274.279	2.955	50	40	CFGB	
CCN(CC)c1ccc(/C=N/NC(=O)CC(C)C)c(O)c1	4045931	LMSUVCFNSWTJAR-GZTJUZNOSA-N	291.395	2.735	50	40	CFGB	
N#C/C(=C\c1ccc(Br)s1)C(N)=S	42565	FTABXKRCXDQGJP-HWKANZROSA-N	273.180	2.704	50	40	CFGB	
CSc1ccccc1C(=O)NNC(=O)c1cccs1	8488449	RSRHKOYLSDUNST-UHFFFAOYSA-N	292.385	2.545	50	40	CFGB	
Cc1c(-c2ccc(/C=C(/C#N)C(N)=O)o2)cccc1[N+](=O)[O-]	33308073	IVILKNUVALOUGQ-YFHOEESVSA-N	297.270	2.556	50	40	CFGB	
CC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)[C@@H](C=O)C1	199793827	GAXCCXCHMZNYFW-GHMZBOCLSA-N	256.418	2.945	50	40	CFGB	
CC(C)(C)OC(=O)N1[C@@H](CBr)C[C@H]2C[C@H]21	952958972	MBVGCPYCPWCIAS-DJLDLDEBSA-N	276.174	2.779	50	40	CFGB	
Cc1c(Br)cc(C(=O)NN(C)C)c(C)c1C	16740169	DYTPFPVXNCYDNU-UHFFFAOYSA-N	285.185	2.581	50	40	CFGB	
Cc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	494517	HOYQYUNETMXYTR-MHWRWJLKSA-N	283.287	2.667	50	40	CFGB	
CC1CCC2(CC1)C(C#N)=C1SCCN1C(=O)[C@H]2C#N	238433	PRLPJFMABIAJJO-LOIXOFCESA-N	287.388	2.647	50	40	CFGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ccccc1C(=O)O	2776250	NHUIIQDSLSGWSQ-CSKARUKUSA-N	298.323	2.992	50	40	CFGB	
N#C/C(=C/c1ccoc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	17008918	VASXOJJWZNTYQJ-XFFZJAGNSA-N	283.243	2.733	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2ccc(F)cc2[C@H](C)CC1(C)C	260612714	ALISWAPSJOBDPR-ZWNOBZJWSA-N	293.386	2.686	50	40	CFGB	
COc1ccc(Br)cc1/C=N\NC(=O)C(C)C	58885419	DKFZMHXXIONOLH-AUWJEWJLSA-N	299.168	2.564	50	40	CFGB	
CCC(=O)N[C@@H](C)c1ccc(C(=O)CCl)cc1	72220040	DDSCZJOWEJBVDT-VIFPVBQESA-N	253.729	2.695	50	40	CFGB	
NNC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1	226256140	RIKLNFQSWYXNHB-SOFGYWHQSA-N	262.696	2.603	50	40	CFGB	
C[C@H](Cl)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	54813	QRJGJOUSXBFSAF-IYNCYZAOSA-N	269.684	2.779	50	40	CFGB	biogenic,in-vitro
Cc1ccc(SCC(=O)N/N=C/c2cccnc2)cc1	8515329	VDUVYMFXWRZDPA-LICLKQGHSA-N	285.372	2.632	50	40	CFGB	
N#C/C(=C\c1ccncc1)C(=O)Nc1cccc([N+](=O)[O-])c1	2726753	BBKVZMULFJZHQY-XYOKQWHBSA-N	294.270	2.535	50	40	CFGB	
C[C@@H](OCCCNC(=O)CCl)c1ccccc1	68583508	VDBGQVKOSQBZDX-LLVKDONJSA-N	255.745	2.509	50	40	CFGB	in-vitro
Cc1cccc(O[C@H](C)C(=O)N/N=C/c2ccc(O)cc2)c1	117871	QTCITHCEULFNGK-VBEHJTROSA-N	298.342	2.618	50	40	CFGB	
C/C(=N/NC(=O)CCc1ccccc1)c1ccco1	175867	FXICALJXHGCLGA-VBKFSLOCSA-N	256.305	2.753	50	40	CFGB	biogenic
Br[C@@H]1[C@@H]2C[C@H]3[C@H]1[N+]3(Cc1ccccc1)C2	169799300	XHYJGHLAIHMIPV-XQIGYMODSA-N	265.174	2.551	50	40	CFGB	
CC/C(C)=N/NC(=O)c1ccc(Br)cc1	46172	ONLKGQTWPCSLLZ-MDWZMJQESA-N	269.142	2.965	50	40	CFGB	
C[C@H](OC(=O)Cl)c1cc2c(cc1[N+](=O)[O-])OCO2	2559511	LLQGXKKNTCFHEE-YFKPBYRVSA-N	273.628	2.760	50	40	CFGB	
N#C/C(C(=O)CCl)=C1\NC(c2cccs2)=CS1	14139525	LIKJNRFADINALT-XFFZJAGNSA-N	282.777	2.926	50	40	CFGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NC(C)C	303607	MOGUHBVGGJUMDP-XYOKQWHBSA-N	267.332	2.908	50	40	CFGB	
CC(=O)Oc1cccc2c(C(=O)CCl)ccnc12	1709750	SAZLQQNANKKJQR-UHFFFAOYSA-N	263.680	2.582	50	40	CFGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c1	71050	PKWQOVYGKKHKON-MRXNPFEDSA-N	294.310	2.619	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1cn(C)c2ccccc12	4994032	JGAZKYUUHHFJCQ-FLIBITNWSA-N	254.289	2.648	50	40	CFGB	
O=C(CCl)Nc1ccccc1C(=O)NC1CCCC1	3394822	RWADYHOXASQDQL-UHFFFAOYSA-N	280.755	2.536	50	40	CFGB	
CSC1=C(C#N)[C@]2(CCC[C@H](C)C2)[C@@H](C#N)C(=O)N1	170622664	YNAVOJRYHMGRRQ-BHDSKKPTSA-N	275.377	2.551	50	40	CFGB	
CCc1c(C(=O)N/N=C/c2ccco2)csc1C	2755207	GCHLJNYANCBFGM-VGOFMYFVSA-N	262.334	2.976	50	40	CFGB	
CCOc1ccccc1OCC(=O)NN=Cc1ccccc1	23397313	DRENUICQJXWKRE-UHFFFAOYSA-N	298.342	2.614	50	40	CFGB	
COc1ccc(C(=O)Cl)c(I)c1	79564705	JWNKFOJFQPPUNX-UHFFFAOYSA-N	296.491	2.679	50	40	CFGB	
FC(F)(F)OC[C@H](Br)C(F)(F)F	1083807902	AAVHJFZBFXTASS-REOHCLBHSA-N	260.959	2.849	50	40	CFGB	
O=C(CCl)Nc1ccnn1CC1CCCCC1	62146591	RDQTYRGWJSMWMA-UHFFFAOYSA-N	255.749	2.641	50	40	CFGB	in-vitro
ClCCN(CCCl)Cc1nc2ccccc2[nH]1	50862198	KVXVTSPBGSEDER-UHFFFAOYSA-N	272.179	2.843	50	40	CFGB	
O=C(N/N=C/c1cccc(O)c1O)c1ccc(Cl)cc1	3573725	WIXDTEOAQFLJAW-LZYBPNLTSA-N	290.706	2.515	50	40	CFGB	
O=C(CBr)COc1ccc(Cl)cc1	38549189	LDYWNYNUGJXVCY-UHFFFAOYSA-N	263.518	2.683	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C(\C)c2ccccc2O)cc1	6499603	GDBNGMQEIPKIPX-LDADJPATSA-N	298.342	2.945	50	40	CFGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1ccccc1	31829242	SXVAUSGNZCCPIJ-YVLHZVERSA-N	288.734	2.869	50	40	CFGB	
Cc1cccc2c1O[C@@H](CI)C2	218735837	OFIMQDMFBJVUIS-SECBINFHSA-N	274.101	2.734	50	40	CFGB	
CCCC/C=N/NC(=O)c1ccc(Cl)cc1O	16989458	AWSUCVFRNRYGLL-VGOFMYFVSA-N	254.717	2.951	50	40	CFGB	
Cc1ccc(S(=O)(=O)/N=[S@](/C)C[C@@H](C)Cl)cc1	17047205	VAUOPIGMAJEWNB-HWPZZCPQSA-N	293.841	2.743	50	40	CFGB	
O=S(=O)(CCCCl)N[C@@H]1CCCc2ccccc21	36881974	DRCVOFNEPRJNDP-CYBMUJFWSA-N	287.812	2.612	50	40	CFGB	
CCn1cc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cn1	30951350	INCTVLNOOOMUQC-ZDLGFXPLSA-N	298.390	2.964	50	40	CFGB	
Cc1ccc(C)n1-c1sc2c(c1C(=O)NN)CCCC2	116393	PJFHORMYIIAALU-UHFFFAOYSA-N	289.404	2.638	50	40	CFGB	
CCCCC(=O)C1C(=O)[C@@H](Cl)C(C)(C)[C@H](Cl)C1=O	102969160	UKAAYCSISHDROO-VXGBXAGGSA-N	293.190	2.755	50	40	CFGB	
Cn1cc(/C=N/NC(=O)Cc2cccs2)c2ccccc21	4045414	NVQIJEHTQUDFRS-LICLKQGHSA-N	297.383	2.933	50	40	CFGB	
CNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCC2)c1C	408785319	WIGOJAYBHSXPPE-ZROIWOOFSA-N	271.364	2.873	50	40	CFGB	
O=C(Cl)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1	45952353	PHIITPCBQSXASK-GFCCVEGCSA-N	273.719	2.958	50	40	CFGB	
NNC(=O)c1ccc2nc(-c3ccccc3)sc2c1	45923571	DRDVWKNOCZNPMT-UHFFFAOYSA-N	269.329	2.567	50	40	CFGB	
C[C@H](Cl)C1OC([C@H](C)Cl)OC([C@H](C)Cl)O1	256011940	XTQUGQZRFTWKFM-DAAWXELUSA-N	277.575	2.910	50	40	CFGB	
O=C(N/N=C1\CCSc2ccc(F)cc21)C1CC1	33044054	BJBKNSNAKALYNV-RVDMUPIBSA-N	264.325	2.552	50	40	CFGB	
N[PH](c1ccccc1)(c1ccccc1)c1ccccc1	301054492	VFILUQONHTVHHJ-UHFFFAOYSA-N	279.323	2.587	50	40	CFGB	
CC/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccccc1	5164089	YYCRMVQHKFGSQT-NBVRZTHBSA-N	296.326	2.959	50	40	CFGB	
C/C(=N\NC(=O)COc1ccccc1)c1ccc(C)cc1	175831	NPPJFGFYMZJKLD-NBVRZTHBSA-N	282.343	2.914	50	40	CFGB	
O=C(Cc1cccs1)N/N=C/c1c[nH]c2ccccc12	1510876	DTDLNZLKPQCJBI-LICLKQGHSA-N	283.356	2.922	50	40	CFGB	
O=NN(CCF)C(=O)NC12CC3CC(CC(C3)C1)C2	4933729	FFFYTTAHDCCGMH-UHFFFAOYSA-N	269.320	2.618	50	40	CFGB	
O=C(CSc1ccccc1)N/N=C/c1ccco1	59167207	RWATUHCTVATUNV-NTEUORMPSA-N	260.318	2.522	50	40	CFGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2cccc(O)c2)c1	409359686	BRWIIDMGJAPWIF-WOJGMQOQSA-N	282.343	2.702	50	40	CFGB	
N#CC(C#N)=Cc1cc(Cl)c(OCC(=O)O)c(Cl)c1	408829070	NOPKHSYJPFWYMX-UHFFFAOYSA-N	297.097	2.887	50	40	CFGB	
CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)NC	408602452	OAZSMOQWHJVHNN-GJSJWPQCSA-N	258.321	2.517	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@@H]1C2)c1ccccc1F	225629822	GTHHRFQFFPRILT-XTVDJYLGSA-N	258.296	2.754	50	40	CFGB	
C[C@H](Cl)C(=O)c1ccc2c(c1)CCN2C(=O)C1CC1	4967249	GIUSSFRHPPVEFU-VIFPVBQESA-N	277.751	2.796	50	40	CFGB	
CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	6189155	WIOQBHGHNOEIDD-OVCLIPMQSA-N	287.275	2.633	50	40	CFGB	
C[C@H]1CCc2c(sc3nc(CCl)[nH]c(=O)c23)C1	3276913	JGLLKEGGYWYAEE-LURJTMIESA-N	268.769	2.848	50	40	CFGB	
C=CCOC(=O)/C(C#N)=C/c1ccc(OC)c(C)c1	11297505	JNAJWWYRBMERRL-UKTHLTGXSA-N	257.289	2.640	50	40	CFGB	
Cn1c2ccccc2c2cc3c(cc21)C(=O)OC3=O	104225254	WEORMFKGWPHWFJ-UHFFFAOYSA-N	251.241	2.642	50	40	CFGB	
O=C(NN=C1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)Nc1ccccc1	100806952	QMWMCZATQCLCIC-SBUZTJRASA-N	299.374	2.735	50	40	CFGB	
CC[C@H]1CN1[P@](=O)(OCCCl)N1C[C@H]1CC	301054451	PVDITTYZCAJDEH-IIEUCSNBSA-N	266.709	2.538	50	40	CFGB	
Cc1cc(C(=O)N/N=C2/C[C@@H]3C=CC[C@H]23)ccc1[N+](=O)[O-]	5536542	WMVXJPQTXNTPMV-ANWMDLNMSA-N	285.303	2.585	50	40	CFGB	
Cc1ccc(NNC(=O)c2c(C)nn(C)c2C)cc1Cl	30554626	QLQMWBCIMFXHGZ-UHFFFAOYSA-N	292.770	2.756	50	40	CFGB	
C/C(=N\NC(=O)[C@H]1CCCO1)c1cccc2ccccc12	17023965	PREJJHUWWGSOOO-YAJBTMAUSA-N	282.343	2.859	50	40	CFGB	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(N)=O	59133121	ITQSAQNLEKDFHR-ZSOIEALJSA-N	296.301	2.797	50	40	CFGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccccn1	408877179	SRMFMHDPJZOUPZ-OOIIIRTPSA-N	285.372	2.713	50	40	CFGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ccccc1O	134952	HQRHXDNTSYKTLD-CSKARUKUSA-N	270.313	2.999	50	40	CFGB	
O=C(CCc1c[nH]c2ccccc12)N/N=C/c1ccco1	1510886	TXRZKAMVOVUUIR-WOJGMQOQSA-N	281.315	2.844	50	40	CFGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cccnc1	3345011	LPYOOVZHUQIICU-UFWORHAWSA-N	293.248	2.864	50	40	CFGB	
Cc1cc(C(=O)N/N=C2/C[C@H]3C=CC[C@@H]23)ccc1[N+](=O)[O-]	5536536	WMVXJPQTXNTPMV-KTIPYJLNSA-N	285.303	2.585	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)cc1OC	408807448	CMFVYCCYOXMMGG-KAQJVSAMSA-N	288.347	2.525	50	40	CFGB	
C[C@H]1[C@H]2C[C@@H]([C@H](Br)C23OCCO3)C1(C)C	254877020	MBWIJPYDHZDSFW-JXUBOQSCSA-N	275.186	2.805	50	40	CFGB	
C[C@]1(CBr)[C@H]2CC[C@@]1(C)C1(C2)OCCO1	141833392	ZFQSVMJONXGVIO-GARJFASQSA-N	275.186	2.951	50	40	CFGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cccs1	5381919	OOUGHMIHUKRPAE-OQLLNIDSSA-N	288.328	2.631	50	40	CFGB	
CCCOc1ccc(/C=C(/C#N)C(N)=S)cc1OC	6415412	AWQINQULNVSBHY-XFFZJAGNSA-N	276.361	2.677	50	40	CFGB	
Cc1ccc([C@@]23C[C@@H]4C[C@@H](C[C@@](NC(=O)NN)(C4)C2)C3)cc1	103600330	LNBAWWJKTKKANZ-PURYLZLUSA-N	299.418	2.758	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1N)c1oc(C)cc1C	4358313	GZDFFNZNPQWZLJ-GZTJUZNOSA-N	271.320	2.633	50	40	CFGB	
CO[C@H](C(=O)N/N=C/c1ccc(C)cc1)c1ccccc1	59471518	CDMGCWIGYFAOBT-IQFISFIMSA-N	282.343	2.833	50	40	CFGB	
CC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccncc2)cc1	5606511	YBZVGYOEHREBSW-XNTDXEJSSA-N	291.310	2.830	50	40	CFGB	
CC(C)C[C@@H](C)CC(=O)NNC(=O)OC(C)(C)C	67899764	UPRVVJNINPVOOZ-SNVBAGLBSA-N	258.362	2.615	50	40	CFGB	
O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1ccncc1	409051474	ALCBCBHHEWLJEO-MDUKAXLLSA-N	285.734	2.899	50	40	CFGB	
C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1cc(C)ccc1C	408588258	ISDHXVFOAQSBCB-GMYFBSLISA-N	296.370	2.877	50	40	CFGB	
N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)C(N)=S	408542479	JCBZCMQYWRQXPG-CLFYSBASSA-N	298.323	2.838	50	40	CFGB	
CC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	409011853	OJICQSCQMRXWDS-VCHYOVAHSA-N	286.306	2.875	50	40	CFGB	
C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccccc1	31776120	KEROMGGTCHNRIM-KAECEXQPSA-N	268.316	2.604	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2)cc1	512008	OGDZCMNJOALDNN-LDADJPATSA-N	266.344	2.996	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C\c1ccccc1F	13112022	FBINQAXQJMMKOF-BOPFTXTBSA-N	256.280	2.519	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1cn(C)c2ccccc12	4959362	VZJOSOWJRGXKEC-WQLSENKSSA-N	267.332	2.610	50	40	CFGB	
CCOC(=O)C1=C(C)OC(O)=C(C#N)[C@H]1c1ccco1	6206049	FCOBSCQUESQYQO-LBPRGKRZSA-N	275.260	2.524	50	40	CFGB	
CN(NC(=O)Nc1ccc(F)cc1)c1ccccc1	6638174	QXZQDJBDRCSINB-UHFFFAOYSA-N	259.284	2.999	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CN2CCCCC2)c(C)c1C	58927967	WKUZRCZUXQNBRB-WOJGMQOQSA-N	287.407	2.548	50	40	CFGB	
C[C@]12C(=O)OC(=O)[C@@H]1CCc1c2ccc2ccccc12	100494198	KTDZHEOUAJICME-WMLDXEAASA-N	266.296	2.743	50	40	CFGB	
COc1cccc(COc2coc(CCl)cc2=O)c1	48981136	ZVENVYMKNDRSKQ-UHFFFAOYSA-N	280.707	2.966	50	40	CFGB	
CCOc1ccc([C@H](C)NC(=O)CCl)cc1OCC	3887991	VIIOLUSYMWLHOV-JTQLQIEISA-N	285.771	2.900	50	40	CFGB	
O=C(CNc1ccccc1)N/N=C/c1ccccc1Cl	251823	VCGRUDGIHMVLGD-VCHYOVAHSA-N	287.750	2.902	50	40	CFGB	
O=C(O)c1cccc(-c2cc(CBr)on2)c1	215636382	SAKVCESUUZGSLO-UHFFFAOYSA-N	282.093	2.935	50	40	CFGB	in-vitro
CC1=CC[C@H](C)[C@H]([C@@H]2OC[C@@H](COCCCl)O2)C1	16608555	KKPZXFCAFCLUIS-REWJHTLYSA-N	274.788	2.976	50	40	CFGB	
COc1ccc(/C(C)=N/NC(=O)COc2ccccc2)cc1	5221963	VYBDISBAFGGVKW-QGOAFFKASA-N	298.342	2.614	50	40	CFGB	
O=C(NNc1nc2ccccc2o1)c1ccccc1	506613	XSCYPIMTGGCJGO-UHFFFAOYSA-N	253.261	2.585	50	40	CFGB	
O=C(Oc1ccccc1)N(CCCl)CCCl	100006577	AREXZBCKOVEHKO-UHFFFAOYSA-N	262.136	2.965	50	40	CFGB	
CCCN1CCC(=NNC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1	5468407	CSPPEQXRIMOTOX-SJORKVTESA-N	299.418	2.768	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2Cl)cn1	4670594	GDCBIYGTOBJQGV-MFOYZWKCSA-N	273.723	2.807	50	40	CFGB	
Cc1ncccc1-c1nnc(SCCCCl)n1C	138508464	GVCBLUCHEDAJMU-UHFFFAOYSA-N	282.800	2.907	50	40	CFGB	
COc1cccc(N(Cc2ccccn2)C(=O)CCl)c1	199755755	MYQCAMIWOOCLNP-UHFFFAOYSA-N	290.750	2.862	50	40	CFGB	
Cc1cnc(C(=O)NNc2cccc(C(F)(F)F)c2)cn1	68774664	UEYDCNWMSMAWBX-UHFFFAOYSA-N	296.252	2.561	50	40	CFGB	
CC(C)[Si](Oc1ccc(B(O)O)cc1)(C(C)C)C(C)C	195835549	OOXJROKPBNKHNB-UHFFFAOYSA-N	294.276	2.921	50	40	CFGB	in-vitro
CO[C@H](NC(=O)c1ccc(C)cc1)C(Cl)Cl	3160559	XYFQEWJVQKVFCB-NSHDSACASA-N	262.136	2.501	50	40	CFGB	
CO[C@H](C(=O)N/N=C/c1cccs1)c1ccccc1	567190	ZUHCPHXHLYSHEU-LERPTODRSA-N	274.345	2.586	50	40	CFGB	
CC(C)=NNC(=O)CSc1nc(-c2ccccc2)c[nH]1	496248	ZTMRKXHYWOTIAG-UHFFFAOYSA-N	288.376	2.681	50	40	CFGB	
O=C(CCl)NCCC12CC3CC(CC(C3)C1)C2	2641149	XNSRMGIGNLPGLZ-UHFFFAOYSA-N	255.789	2.948	50	40	CFGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(C#N)cc2)NC(=S)N1	409371967	NIQKADCGAGHKIP-ZDUSSCGKSA-N	296.399	2.901	50	40	CFGB	
CCOC(=O)[C@H]1CC2=C(CCCCC2)C(C#N)=C1N	35193634	PSIBZBLGNNHZLV-LBPRGKRZSA-N	260.337	2.566	50	40	CFGB	
COc1ccc(C=NNC(=O)[C@@H](C)Oc2ccccc2)cc1	16711880	AXUOQWWTMQNQAX-CYBMUJFWSA-N	298.342	2.613	50	40	CFGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(O)cc2)c1C	30838735	LHZMGIQVFIVODZ-ZDLGFXPLSA-N	298.342	2.538	50	40	CFGB	
COc1cc(C(=O)CBr)c(OC)cc1C	1611919	WEEDBQSHFOQUJF-UHFFFAOYSA-N	273.126	2.590	50	40	CFGB	
COc1ccc2c(c1)CCC1=C2CC[C@@H]2C(=O)OC(=O)[C@@]12C	103891332	GMONDBYKIPBMHG-QAPCUYQASA-N	298.338	2.895	50	40	CFGB	
Cc1cc(/C=N\NC(N)=O)c(C)n1-c1ccccc1Cl	409067451	YERLRZZURGSYPM-IUXPMGMMSA-N	290.754	2.750	50	40	CFGB	
N#CC1=C[C@@H](c2ccccc2)C[C@H](N2CCCC2=O)O1	4267408	HRZGCSGSLSOLQZ-CZUORRHYSA-N	268.316	2.546	50	40	CFGB	biogenic
COc1ccc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)cc1	409368381	SRHUOSDKWQVWNI-CYBMUJFWSA-N	285.347	2.873	50	40	CFGB	
COc1cccc(/C=N\NC(=O)c2ccc(C)cc2)c1	33285206	KOJPTXSEWSPHQE-BOPFTXTBSA-N	268.316	2.768	50	40	CFGB	
C/C(=N/NC(=O)c1ccoc1C)c1ccc([N+](=O)[O-])cc1	12580546	VXAUTGJHCKWAME-DHDCSXOGSA-N	287.275	2.650	50	40	CFGB	
CCCCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	1702886	DKJYOBUQHUBXIV-RIYZIHGNSA-N	283.715	2.889	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)c1oc(C)cc1C	222355	NSCHECDBZPRLAP-LFIBNONCSA-N	272.304	2.756	50	40	CFGB	
CC1(C)Cc2c(sc(NC(=O)CCl)c2C#N)CO1	305839	VRQWIUZWWJIQPS-UHFFFAOYSA-N	284.768	2.648	50	40	CFGB	
Cc1cc(C(F)F)nn1CC(=O)N/N=C/[C@@H]1CC=CCC1	6787351	SCHVJJXSMPVQOJ-SXGUVYOMSA-N	296.321	2.587	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C/c1ccccc1OC(C)C	3314575	LVZQMDDNAHVORN-NTEUORMPSA-N	272.348	2.905	50	40	CFGB	
O=C1C[C@@]2(C[C@@H](Cl)N=N2)C(=O)N1c1cccc(Cl)c1	4498634	QYSOCVAWJAGDBL-CABZTGNLSA-N	298.129	2.763	50	40	CFGB	
CC[C@@H](Br)C(=O)Nc1cccc([N+](=O)[O-])c1	5337304	SGNRUIOSJLUXKI-SECBINFHSA-N	287.113	2.707	50	40	CFGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccccn1	408833784	YILYSQWSQGHCFQ-VCHYOVAHSA-N	299.399	2.774	50	40	CFGB	
CCOc1cccc(/C=N/NC(=O)c2cccs2)c1O	228027	ZZKOWZNVOOFZOP-OQLLNIDSSA-N	290.344	2.616	50	40	CFGB	
Nc1ccc(C(=O)N/N=C/C=C\c2ccccc2)cc1	5813939	ZEFVWVLAAHAGBG-JSGDBHGWSA-N	265.316	2.698	50	40	CFGB	
Cc1c(NC(=O)CCl)cccc1N1CCCC1	34776799	QHXLARAAFOWXEM-UHFFFAOYSA-N	252.745	2.773	50	40	CFGB	
CC(C)(C)c1ccc(OCc2ccc(C(=O)NN)o2)cc1	548822	HMQCCNVWLFAOLM-UHFFFAOYSA-N	288.347	2.760	50	40	CFGB	
Cc1cc(C)nc(NNC(=O)CCCc2cccs2)n1	29065800	RRFYVEBBZBFSRL-UHFFFAOYSA-N	290.392	2.621	50	40	CFGB	
N#CC1=C2CCCCN2c2ccc(Cl)cc2S1(=O)=O	67172867	ZQWMSRWKIWGCES-UHFFFAOYSA-N	294.763	2.853	50	40	CFGB	
COC(=O)[C@@]1(CCCl)CCCN1C(=O)OC(C)(C)C	95937403	LYGKJDNGNGLEAB-ZDUSSCGKSA-N	291.775	2.558	50	40	CFGB	
CSc1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1	30803160	PJFLLSPXPGXKJK-MFOYZWKCSA-N	285.372	2.876	50	40	CFGB	
COc1ccc(C2=CSC(=C(C#N)C#N)N2)cc1	16216439	CETJFRBGBUWRHW-UHFFFAOYSA-N	255.302	2.589	50	40	CFGB	
CCOc1ccccc1/C=C1\C(=O)ON=C1CCl	44804579	SGYUXAGLTOHCTB-YFHOEESVSA-N	265.696	2.620	50	40	CFGB	in-vitro
COc1ccccc1NCC(=O)N/N=C/c1cccc(C)c1	584077	NKNBSTJVWVXEKT-YBFXNURJSA-N	297.358	2.566	50	40	CFGB	
ClC[C@@H](Br)[C@@H](Cl)Br	1681469	YFBYCCVSVACJJD-PWNYCUMCSA-N	270.779	2.949	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1ccc(F)c(Cl)c1	100253101	GCQUVMZVLBTSKH-BQYQJAHWSA-N	268.675	2.862	50	40	CFGB	
COc1ccc(-c2nnc(NC(=O)[C@H](C)Cl)s2)cc1	39765695	ODZAJSOGZIJIPC-ZETCQYMHSA-N	297.767	2.780	50	40	CFGB	
Cc1ccccc1N[C@H]1SC(=O)N(CCCl)C1=O	12113047	QRAXBBPNIDGBPL-JTQLQIEISA-N	284.768	2.667	50	40	CFGB	
CCC[C@@H](C)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	115445	PKZSLSOLFRCPGF-RNCFNFMXSA-N	260.337	2.770	50	40	CFGB	
O=C(CCCCCC(=O)OCCCl)OCCCl	4721458	XPIWUJXLDAYJNG-UHFFFAOYSA-N	285.167	2.501	50	40	CFGB	
CCOC(=O)NNC1=C(C(=O)C(F)(F)F)CCCCC1	59489013	YPCYQAZDCOPKPS-UHFFFAOYSA-N	294.273	2.587	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1	25363326	NZVSCFBJXSFVHC-UKTHLTGXSA-N	298.367	2.980	50	40	CFGB	
C/C(=N/NC(=O)c1ccncc1)c1cc(C)sc1C	17007203	AFKWGCFISKFJOV-YBEGLDIGSA-N	273.361	2.914	50	40	CFGB	
COC(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	33673649	ZMXDIXKWWXDNMP-NTMALXAHSA-N	298.254	2.935	50	40	CFGB	
N#C/C(C(=O)CCl)=C1/Nc2ccccc2S1	100404761	BULWJBIPSLXWPH-YRNVUSSQSA-N	250.710	2.747	50	40	CFGB	
CCOC(=O)c1[nH]c(CBr)c(C(C)=O)c1C	494941	INNMTEGBFLKXBF-UHFFFAOYSA-N	288.141	2.597	50	40	CFGB	
C/C(=N\NC(=O)c1ccncc1)c1c[nH]c2ccccc12	22611800	KNGXVNSXALTXNI-YBFXNURJSA-N	278.315	2.717	50	40	CFGB	
Cc1cccc2c(CBr)cc(=O)[nH]c12	8642368	IREWQIPCOADXJQ-UHFFFAOYSA-N	252.111	2.731	50	40	CFGB	
O=C(NNc1ncc(Cl)cn1)c1ccc(Cl)cc1	72427702	PGCXNGVWVSOOSE-UHFFFAOYSA-N	283.118	2.540	50	40	CFGB	
Cc1c(Cl)cccc1-n1c(C)cc(C(=O)NN)c1C	223701737	RYCYVSHWBLWNFR-UHFFFAOYSA-N	277.755	2.659	50	40	CFGB	
CC1(C)COP(=O)(N(CCCl)CCCl)OC1	5373236	CKSFGFMWQTVESF-UHFFFAOYSA-N	290.127	2.947	50	40	CFGB	
COc1cccc(C(=O)N/N=C/c2ccc(F)cc2)c1	4514001	BCJXXARZNDODML-LICLKQGHSA-N	272.279	2.598	50	40	CFGB	
CN(Cc1cc(Br)cs1)C(=O)CCl	37654219	YRIFBTFJOFKIJM-UHFFFAOYSA-N	282.590	2.708	50	40	CFGB	in-vitro
O=C(Cl)CCn1nc(C(F)(F)F)cc1C1CC1	2537778	HRBUCGGOKQYPCJ-UHFFFAOYSA-N	266.650	2.935	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2ccoc2C)cc1Cl	4675085	DDQNNANVVNJWCB-UHFFFAOYSA-N	292.722	2.625	50	40	CFGB	
N#C/C(=C\c1cnc2ccccn12)C(=O)NC1CCCCC1	96298491	TVDZDRJKKTVSQY-JLHYYAGUSA-N	294.358	2.690	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OC)cc1C	408808434	IUKKJKQRXYSVTM-IGVUGNCQSA-N	272.348	2.825	50	40	CFGB	
Cc1ccc(C[C@H](Br)C(=O)O)c(C)c1	76306409	QOIXAVRQLYTYRS-JTQLQIEISA-N	257.127	2.694	50	40	CFGB	
O=C(Cl)c1cc([N+](=O)[O-])ccc1N1CCCC1	40546310	PJRIVXBQHOMPDC-UHFFFAOYSA-N	254.673	2.574	50	40	CFGB	
COc1cc2c(cc1OC)C(Cl)=C(C=O)CC2	90668548	JUWXIWJQAJWJGO-UHFFFAOYSA-N	252.697	2.799	50	40	CFGB	
Cc1cc(C(=O)Cl)ccc1I	145445416	MKHWQKNHHIPXNN-UHFFFAOYSA-N	280.492	2.979	50	40	CFGB	
NNC(=O)CCSCc1ccc(Cl)cc1Cl	17008051	PJSNZHJYOXCMAV-UHFFFAOYSA-N	279.192	2.607	50	40	CFGB	
O=C(CCBr)NCc1c(F)cccc1Cl	2577676	CECSZDMMPUQGCH-UHFFFAOYSA-N	294.551	2.880	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)OCc2cc(C)on2)cc1	5112165	IBAUEYOIWTWFDL-MDWZMJQESA-N	298.298	2.642	50	40	CFGB	
COC(=O)[C@H](Br)CCc1ccccc1	33836119	UIZZMKUFGKXJNR-SNVBAGLBSA-N	257.127	2.556	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2F)cc1	33299692	PUUQMTPSOONOLQ-YVLHZVERSA-N	256.280	2.898	50	40	CFGB	
IC[C@H]1COc2ccccc2C1	33369619	SVXBJCBLQVTJJO-QMMMGPOBSA-N	274.101	2.673	50	40	CFGB	
CCOC(=O)/C(=C(\O)CCl)c1nc(C)cs1	100205332	XSFZDJBMSSNHAN-FPLPWBNLSA-N	261.730	2.523	50	40	CFGB	
CC/C(=N\NC(N)=O)[C@@H]1C[C@@]2(C)CC[C@@H]1C2(C)C	4701445	XOEPTCGYDLHANO-XLADCSCQSA-N	251.374	2.883	50	40	CFGB	
Cc1nc2ccccc2n1CC(=O)N/N=C\c1cccs1	4855069	SVPILSKFYDZNQN-SXGWCWSVSA-N	298.371	2.557	50	40	CFGB	
CC[C@@H](C)c1ccc(NC(=O)CCNC(=O)CCl)cc1	8733018	HZCIHPURPNFEDE-LLVKDONJSA-N	296.798	2.884	50	40	CFGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccccc1	30791384	VSQKJQPEAOPBGG-YVLHZVERSA-N	288.734	2.869	50	40	CFGB	
Cc1ccccc1[C@@H](O)C(=O)N/N=C1\CCCC[C@H]1C	4975590	KWTNJKVVCOOGSF-LNPFKTAESA-N	274.364	2.711	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2c(C)cccc2[C@H](C)CC1(C)C	260619424	LMKUYJWBCIBBCH-TZMCWYRMSA-N	289.423	2.856	50	40	CFGB	
CO[C@H](C(=O)N/N=C(\C)c1ccc(O)cc1)c1ccccc1	13576144	SWLKGSAZGCJSME-IQFISFIMSA-N	298.342	2.620	50	40	CFGB	
CC(=O)N/N=C/c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	530446	BXDZYYHQOZIFSF-WOJGMQOQSA-N	298.390	2.630	50	40	CFGB	
CCOC(=O)[C@@H](Br)c1ccc([N+](=O)[O-])cc1	38817085	XQFNCKXRAPCJOW-VIFPVBQESA-N	288.097	2.594	50	40	CFGB	
C/C(=C\NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1	6191702	QIRNGFFNXKLEHS-ZRDIBKRKSA-N	296.326	2.711	50	40	CFGB	
N#CC(C#N)=Cc1ccc(Sc2ncccn2)o1	15019255	HYRXRFNLTCZOHS-UHFFFAOYSA-N	254.274	2.651	50	40	CFGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccccc1	408721537	SGVMQMPLWDWVOP-KVSZQYDPSA-N	256.349	2.963	50	40	CFGB	
N#C[C@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br	100018106	DEEVDUKZMAWCQE-XJFOESAGSA-N	291.192	2.794	50	40	CFGB	
COC(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1	179726	JXXOEWTZPORECK-OVCLIPMQSA-N	262.240	2.776	50	40	CFGB	
Cc1ccc(/C=C/C(=O)N/N=C/c2ccco2)cc1	1098667	YZTWXPPGOOSYHE-CEKJNPHKSA-N	254.289	2.752	50	40	CFGB	
C/C(=N/NC(=O)c1cccs1)c1ccccc1O	100231683	BBKAHROJARYAAB-ZROIWOOFSA-N	260.318	2.608	50	40	CFGB	
COc1ccc(CC(=O)N/N=C(\C)c2cccs2)cc1	69035	YSCWHBZHCJSZIQ-LFIBNONCSA-N	288.372	2.840	50	40	CFGB	
N#Cc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1	175604	CYCNINXBMKAVDV-VCHYOVAHSA-N	283.718	2.976	50	40	CFGB	
O=C(N/N=C/c1ccccc1)c1cc2ccccc2oc1=O	175394	NSSUZBWRJORLCX-WOJGMQOQSA-N	292.294	2.557	50	40	CFGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(Cl)cc1	493433	TVTTWOKDHXAHMH-VGOFMYFVSA-N	293.666	2.605	50	40	CFGB	
C/C(=N\NC(=O)c1cccs1)c1cccs1	4672703	NZECVLMIUBMJSK-XYOKQWHBSA-N	250.348	2.964	50	40	CFGB	
C=C(C#N)[C@@](O)(c1nccn1CCCC)C(F)(F)F	8725307	DFWBYMLNLHKYPM-LLVKDONJSA-N	273.258	2.513	50	40	CFGB	
CCS(=O)(=O)c1ccc2oc([C@H](C)Cl)nc2c1	72220838	YDHSLPBCBZICNS-ZETCQYMHSA-N	273.741	2.921	50	40	CFGB	
CCOc1ccc(F)cc1C(=O)CBr	83183353	ZNYJGZPEIFEPFW-UHFFFAOYSA-N	261.090	2.802	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccccc1F	6222300	GTHHRFQFFPRILT-HRKIKQIHSA-N	258.296	2.754	50	40	CFGB	
CC[C@H](C)c1ccc(NC(=O)CCNC(=O)CCl)cc1	8733019	HZCIHPURPNFEDE-NSHDSACASA-N	296.798	2.884	50	40	CFGB	
O=C(N/N=C1/C[C@@H]2CC[C@@H]1C2)c1ccc(Cl)cc1O	102334103	MHJVLXOMOKAQLK-QTTCKTKVSA-N	278.739	2.951	50	40	CFGB	
CC1=C(c2ccccc2)c2ccccc2/C1=N/NC(N)=O	100365565	FNJAZAKHVDKLCL-KNTRCKAVSA-N	277.327	2.894	50	40	CFGB	
CCc1ccccc1C[C@H](Br)C(=O)O	107843296	CJKAMAXHURETHV-JTQLQIEISA-N	257.127	2.640	50	40	CFGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNc1ccccc1)CC2=O	4040612	BOYHLQNNYGPZKO-SJORKVTESA-N	286.375	2.915	50	40	CFGB	biogenic
N#C/C(=C\c1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1	6241298	DUUNVTZVAIHJIE-JXMROGBWSA-N	283.243	2.733	50	40	CFGB	
CCCCC[C@@H](C)NC(=O)NNC(=O)c1cc(C)oc1C	22880320	HXXHCARSSREZIS-SNVBAGLBSA-N	295.383	2.809	50	40	CFGB	
CC(C)(C)c1nc(C#N)c(NNC(=O)c2ccccc2)o1	41157179	ZJWALTWNWALCMW-UHFFFAOYSA-N	284.319	2.601	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1	83319359	BCZWAGUNAKHMMH-WQRHYEAKSA-N	270.307	2.827	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2cccs2)cc1	511984	XYEIPBSUIRRQLC-XNTDXEJSSA-N	258.346	2.749	50	40	CFGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc[nH]1	356220	VRLZWBJHYUYVJS-VCHYOVAHSA-N	294.314	2.742	50	40	CFGB	
Cc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1	13371725	KCRSAJBTQBDRMS-UVTDQMKNSA-N	254.333	2.961	50	40	CFGB	
CCOC(=O)N/N=C(\c1ccccc1)[C@H](O)c1ccccc1	4697712	XLKNVJSXVOVHGN-YWJBVVMDSA-N	298.342	2.870	50	40	CFGB	
CCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	1956860	AIJIEAFOGYKRCN-GXDHUFHOSA-N	263.297	2.625	50	40	CFGB	
CCC(=O)NNC(=S)Nc1ccc([C@H](C)CC)cc1	6394113	ZBWHYDNWOVZDNC-SNVBAGLBSA-N	279.409	2.928	50	40	CFGB	
COc1cc(/C=C(\C#N)C(=O)OC(C)C)cc(OC)c1	6364715	ILGYVNBDUOSYLF-LFYBBSHMSA-N	275.304	2.562	50	40	CFGB	biogenic,in-vitro
CC/C(=N/NC(=O)c1ccco1)c1ccc(OC)cc1	5384847	QBWJRTINTTZSAP-SSZFMOIBSA-N	272.304	2.832	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1ccccc1Cl	14796333	SWCQAAUPCCUXBT-CMDGGOBGSA-N	250.685	2.722	50	40	CFGB	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1cccs1	18173604	DYCNNYWRSPTERE-XYOKQWHBSA-N	284.340	2.677	50	40	CFGB	
COc1ccccc1/C=C(\C#N)C(=O)NCc1cccs1	409195371	ICBOGLYSKMXBOB-UKTHLTGXSA-N	298.367	2.980	50	40	CFGB	
CC(=O)N[C@H](C)c1ccc(C(=O)[C@@H](C)Cl)cc1	72220043	QQLIHFNLLQANJB-RKDXNWHRSA-N	253.729	2.694	50	40	CFGB	
C[C@@H](CBr)NC(=O)OCc1ccccc1	91351817	BSADFGJODFYVIW-VIFPVBQESA-N	272.142	2.696	50	40	CFGB	
CCCCOC(=O)/C=C/N(CCCl)CCCl	1674113	LQUVHMINABZOKU-QPJJXVBHSA-N	268.184	2.623	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)o1	2737465	XWFOFYGUKITOQC-OVCLIPMQSA-N	287.275	2.569	50	40	CFGB	
Cc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1	4117838	HBFCFMKEAXGHGE-UHFFFAOYSA-N	271.276	2.660	50	40	CFGB	
COc1ccc(/C=C(\C#N)c2ccccn2)cc1O	5068247	LSKXKXMIARULOL-XYOKQWHBSA-N	252.273	2.860	50	40	CFGB	
COC(=O)N/N=C(\C)c1c(C)nn(-c2ccccc2)c1C	96298135	XBNXYACSBHRIBG-MHWRWJLKSA-N	286.335	2.569	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1	6827560	WEVYOCAONRHGKS-YHYXMXQVSA-N	293.710	2.680	50	40	CFGB	
O=C(CCCCl)/N=c1\[nH]c2ccccc2s1	8741173	UHBYMMUVITVNSW-UHFFFAOYSA-N	254.742	2.676	50	40	CFGB	
CC(=O)N/N=C/c1cccc(OCc2ccccc2F)c1	58822335	QBGWIKWMMRUJMK-VCHYOVAHSA-N	286.306	2.875	50	40	CFGB	
CCOC(=O)c1ccc(NC(=O)C(Cl)Cl)cc1	2807106	MPJKGBOURQJEOR-UHFFFAOYSA-N	276.119	2.606	50	40	CFGB	
CC(=O)Nc1c(C)cc(C)c(C(=O)CCl)c1C	4205225	BCEROUJKBXVEOK-UHFFFAOYSA-N	253.729	2.992	50	40	CFGB	
ICCCCO[C@H]1CCCCO1	34400979	GTUOMTZFCNDDBA-VIFPVBQESA-N	284.137	2.745	50	40	CFGB	in-vitro
CCOc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1	13954682	YRKJDSHADSLHDZ-LDADJPATSA-N	283.331	2.634	50	40	CFGB	
COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)c(OC)c1	19594374	KGLVJCLBLYEIHQ-UHFFFAOYSA-N	295.342	2.986	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(C)s1	5618530	XZRRDNKMLHJWPT-XNTDXEJSSA-N	274.345	2.916	50	40	CFGB	
C=CCOc1c(Cl)cc(/C=N/NC(C)=O)cc1OCC	409010733	DHUVZPBHPSWSQO-CXUHLZMHSA-N	296.754	2.774	50	40	CFGB	
Cc1cccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c1	33319275	LUSGMJVOIDNEEK-YBEGLDIGSA-N	283.287	2.667	50	40	CFGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)C(C)C	44027211	CTMYTVQZRFCMMD-WUXMJOGZSA-N	289.331	2.844	50	40	CFGB	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(N)=O)c2C)c1	192539080	NYRBGXOKNHVZJX-OQLLNIDSSA-N	279.343	2.795	50	40	CFGB	
N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1ccccc1	15013550	VPAQXGVPBGAGKD-GDNBJRDFSA-N	278.311	2.615	50	40	CFGB	
O=C(NN=C1CCCCCC1)[C@H]1COc2ccccc2O1	47294	HGYWAPJAFRWJEN-OAHLLOKOSA-N	288.347	2.653	50	40	CFGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccncc1	175301	JICUSJASJIAWAO-PBSOMRJOSA-N	285.372	2.713	50	40	CFGB	
Cc1ccc(C(=O)NNc2nncc3ccccc23)cc1	6922794	AHPKFHHLBDWCGN-UHFFFAOYSA-N	278.315	2.695	50	40	CFGB	
Cc1noc(C)c1COc1ccc(/C=C(/C#N)C(=O)O)cc1	44868218	QFXKUHXTNGZGJA-QPEQYQDCSA-N	298.298	2.862	50	40	CFGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccccn1	408877183	SRMFMHDPJZOUPZ-PBSOMRJOSA-N	285.372	2.713	50	40	CFGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ccc(CO)o1	17220828	JTXMFASRMPVDMH-GHXNOFRVSA-N	285.236	2.902	50	40	CFGB	
CC[C@H](NC(=O)CBr)c1ccccc1	34436396	YAPHGMLKADNBMD-JTQLQIEISA-N	256.143	2.649	50	40	CFGB	
N#C[C@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br	101953494	DEEVDUKZMAWCQE-ZOBORPQBSA-N	291.192	2.794	50	40	CFGB	
COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2C)cc1	1093292	RMBVIHYOFCTCSO-WOJGMQOQSA-N	296.326	2.546	50	40	CFGB	
Cc1ccc(/C(=C/C=C(C#N)C#N)N2CCOCC2)cc1	2380052	IQJVXMSEXBXSJF-IDUWFGFVSA-N	279.343	2.642	50	40	CFGB	
COc1ccc(NC(=O)NCCCl)cc1Cl	3225943	HHQWONQIAKPIEO-UHFFFAOYSA-N	263.124	2.709	50	40	CFGB	
CCOC(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1	34705390	QXBZFTKTOBOHSP-UITAMQMPSA-N	280.667	2.718	50	40	CFGB	
Cc1cc(C=C(C#N)C#N)c(C)n1NC(=O)c1ccccc1	8334732	AVCDZZWYVUHHHB-UHFFFAOYSA-N	290.326	2.919	50	40	CFGB	
O=C(NNC(=O)C1CC1)c1ccccc1Oc1ccccc1	26968181	YXIQITFTYMCOFL-UHFFFAOYSA-N	296.326	2.650	50	40	CFGB	
C[C@@H]1CN1P(=O)(N1CCc2ccccc21)N1C[C@H]1C	301054393	COMLPZBARCXWSR-KLAIVQCMSA-N	277.308	2.565	50	40	CFGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(N)=S	408544648	WGNFYLQFTFJNFT-WEVVVXLNSA-N	266.753	2.932	50	40	CFGB	
COc1ccc(N2CCCCC2)c(NC(=O)CCl)c1	34776771	GPMJGMDKKSEWCX-UHFFFAOYSA-N	282.771	2.863	50	40	CFGB	
O=C1ON=C(CCl)/C1=C\c1ccc2[nH]ccc2c1	34926749	ZLUYXBXHBUBGOC-UXBLZVDNSA-N	260.680	2.703	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@@H]1C2)c1ccc(Cl)cc1O	225753945	PEFGCLHCFSXZCW-KJIUFUOESA-N	290.750	2.973	50	40	CFGB	
O=C(NN(Cc1ccccc1)c1ccccc1)[C@@H]1CCCO1	36767662	HWYUDDMUPCEFMV-KRWDZBQOSA-N	296.370	2.903	50	40	CFGB	
O=C(N/N=C\c1ccc(F)cc1)c1ccc(F)cc1	32123371	DUSPIRYSQZVKSA-MFOYZWKCSA-N	260.243	2.729	50	40	CFGB	
CC(C)O[P@@](=O)(OCCCO)C(Cl)Cl	1704302	HBAJBJSKGHTGFC-AWEZNQCLSA-N	265.073	2.765	50	40	CFGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccccc1N	59434532	NKRXMWHAMADLIS-VXLYETTFSA-N	292.342	2.822	50	40	CFGB	
CC1(C)OC(=C/C=N/NC(=O)c2ccccc2)OC1(C)C	2354094	BFEZOALAOXVTIC-GZTJUZNOSA-N	288.347	2.848	50	40	CFGB	
CC1(C)CC(=O)[C@@H](C(=O)CCc2ccco2)C(=O)[C@@H]1Cl	104832598	QSRXWMPUHOLIOT-OCCSQVGLSA-N	296.750	2.573	50	40	CFGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cccnc1)c1ccccc1	6476881	ICQVRIOQAWWANN-YDRQLGOLSA-N	277.327	2.866	50	40	CFGB	
CCSC1=C(C#N)[C@H](c2ccc(C)o2)CC(=O)N1	8973439	JEWOUWCNKJLSOO-SECBINFHSA-N	262.334	2.680	50	40	CFGB	
CCOC(=O)c1ccc(CBr)c([N+](=O)[O-])c1	34123324	PIMARRUOUZIQAS-UHFFFAOYSA-N	288.097	2.666	50	40	CFGB	
CN/C(SC)=C(/C#N)c1nc(-c2ccccc2)no1	44842074	RAUCKYQRPVXRGX-JLHYYAGUSA-N	272.333	2.511	50	40	CFGB	
Cc1ccc(C(=O)NN=C2CCCC2)cc1[N+](=O)[O-]	6278625	PZWAQNIXFNVIRX-UHFFFAOYSA-N	261.281	2.563	50	40	CFGB	
Cc1cc(C)n(CCC(=O)NN=C(C(C)C)C(C)C)n1	4815451	ZOMMRTKNPKEUJP-UHFFFAOYSA-N	278.400	2.674	50	40	CFGB	
C[C@@]12CC[C@@H]([C@H](Br)C1=O)[C@@]2(C)CCC(=O)O	72207288	UHBNKGHKJHETSR-DFJQSBMWSA-N	289.169	2.620	50	40	CFGB	
C=CCOc1ccccc1NC(=O)CBr	35605122	LRJKHUYERRZPIR-UHFFFAOYSA-N	270.126	2.585	50	40	CFGB	
COC(=O)Cc1ccc(OCCCBr)cc1	35731577	RCJIDBYQEBHGTE-UHFFFAOYSA-N	287.153	2.566	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2cc(C)ccc2[C@@H](C)CC1(C)C	223202565	GNDILWXLGMSXND-JSGCOSHPSA-N	289.423	2.856	50	40	CFGB	
C/C(CC(=O)Nc1ccc(C)cc1C)=N\NC(=O)C(C)C	4117881	UVANJKIYKMZGRD-QGOAFFKASA-N	289.379	2.780	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2ccccc2)cc1OC	5381780	QWTWJCFZNITQOG-LDADJPATSA-N	298.342	2.858	50	40	CFGB	
N#Cc1ccc(OCC(=O)N/N=C/C2CCCCC2)cc1	5164456	UYIJVMALTHBKGG-WOJGMQOQSA-N	285.347	2.619	50	40	CFGB	
CC(C)/C(=N/NC(=O)[C@H](O)c1ccccc1)c1ccccc1	30948360	LRCYHHNWXKEGMJ-KAKMCVKYSA-N	296.370	2.897	50	40	CFGB	
CN(C)CCP(c1ccccc1)c1ccccc1	1708211	MCNWRGVXJSQPAY-UHFFFAOYSA-N	257.317	2.681	50	40	CFGB	
O=C(Cl)Cc1ccccc1I	34573035	ZNOGBAPLEYMVSS-UHFFFAOYSA-N	280.492	2.599	50	40	CFGB	
O=NN(Cc1ccccc1)NC(=O)c1ccccc1	4771322	XNYZRRBMPBDLNY-UHFFFAOYSA-N	255.277	2.515	50	40	CFGB	
COc1ccc2c(c1)CC[C@H]1C2=CC[C@@H]2C(=O)OC(=O)[C@@]21C	104373523	CFIUTHMLFDZXOQ-HDMKZQKVSA-N	298.338	2.751	50	40	CFGB	
CCc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)OC)cc1	6627290	RJSPTLNWALSFKV-JYRVWZFOSA-N	281.315	2.719	50	40	CFGB	
C/C(=N/NC(=O)c1cc(C2CC2)[nH]n1)c1cccs1	5816713	FVWWCDFTUVZMAB-ZSOIEALJSA-N	274.349	2.503	50	40	CFGB	
O=C(/C=C/c1ccc(F)cc1)NNC(=O)C1CCCCC1	512777	OYJNLXGYDWFQNY-DHZHZOJOSA-N	290.338	2.567	50	40	CFGB	
CC(=O)Nc1cc(NC(=O)[C@@H](C)Cl)ccc1C	330725	GMYCNDRXZIYUPW-MRVPVSSYSA-N	254.717	2.519	50	40	CFGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(O)c1	4964926	YJUPDVAOGVPEBO-HZNNPKNDSA-N	284.359	2.994	50	40	CFGB	
O=C(NNC(=O)c1cc2ccccc2o1)c1ccc(F)cc1	3480891	DTOVKHVOFUUWNX-UHFFFAOYSA-N	298.273	2.647	50	40	CFGB	
C[C@@H]1CCC/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)C1	5164237	XUAMEZPLBCCPFZ-AYNSSHKFSA-N	288.347	2.509	50	40	CFGB	
CCC1CCC(=NNC(=O)c2cc(O)ccc2O)CC1	17007561	HVYWZDSUCTVEQM-UHFFFAOYSA-N	276.336	2.784	50	40	CFGB	
O=C(Cl)c1c(F)c(F)c(F)c(F)c1[N+](=O)[O-]	21984715	RUGZVPRCKQMYAZ-UHFFFAOYSA-N	257.526	2.530	50	40	CFGB	
NNC(=O)c1cccc(-c2nc3ccccc3s2)c1	41127571	ICYBKAKAJGZVQK-UHFFFAOYSA-N	269.329	2.567	50	40	CFGB	
CCc1ccc(/C(C)=N/NC(=O)c2ccccn2)cc1	4016255	WDLBJBKQTUQOAQ-LDADJPATSA-N	267.332	2.798	50	40	CFGB	
CCn1ncc(/C=N/NC(=O)c2ccc(Cl)cc2)c1C	999993	WJEBNDMAPGVALC-LZYBPNLTSA-N	290.754	2.629	50	40	CFGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccccc3)n2c1	59444016	FUVMHNGNFYPXDZ-VCHYOVAHSA-N	292.342	2.715	50	40	CFGB	
IC[C@@H]1COc2ccccc2C1	33369618	SVXBJCBLQVTJJO-MRVPVSSYSA-N	274.101	2.673	50	40	CFGB	
Cc1c(/C=C(/C#N)C(=O)NC(C)C)c2ccccc2n1C	408786628	UDIQOBKNJVEHDZ-LCYFTJDESA-N	281.359	2.918	50	40	CFGB	
O=C1c2cccc(Br)c2O[C@H]1Br	103571399	WPJFQNKSCDDAFL-MRVPVSSYSA-N	291.926	2.745	50	40	CFGB	
C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1cccs1	5044230	VVDWJARQHBZOGZ-MKVLZVNKSA-N	274.345	2.666	50	40	CFGB	
ClC[C@H](Br)[C@H](Cl)Br	1681470	YFBYCCVSVACJJD-HRFVKAFMSA-N	270.779	2.949	50	40	CFGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC=O)c2C)cc1	3321201	DVUBWYPNNUTVMG-LICLKQGHSA-N	285.347	2.573	50	40	CFGB	
C=CCSC1=C(C#N)C2(CCCCC2)C(C#N)=C(N)N1	5225255	DJWYWXJPCOIVFU-UHFFFAOYSA-N	286.404	2.888	50	40	CFGB	
COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	6607996	BEKHQXPELCREEX-VGOFMYFVSA-N	260.337	2.841	50	40	CFGB	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC1CCCCC1	33314875	DUPVLVSNYMMWHR-RAXLEYEMSA-N	270.332	2.748	50	40	CFGB	
C=CCS/C(=C(\C#N)C(N)=O)c1cc2c([nH]1)CCCC2	16138469	WAKYRMRFLKNIAH-SDNWHVSQSA-N	287.388	2.533	50	40	CFGB	
C[C@@H](Br)C1(c2ccccc2)OCCO1	16955219	XVCCETUPKGWPKC-SECBINFHSA-N	257.127	2.670	50	40	CFGB	
CC1(C)Oc2ccc(C#N)cc2[C@H](O)[C@H]1Br	161265	PKZZJLKUYUVLMJ-WDEREUQCSA-N	282.137	2.526	50	40	CFGB	in-vitro
N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@@H]1c1ccncc1	352358	MGGKVQUOUPODQZ-AWEZNQCLSA-N	299.717	2.659	50	40	CFGB	
CO[C@H](C(=O)N/N=C(\C)c1ccccc1O)c1ccccc1	16136808	XMUKMNNOOGRDQU-IQFISFIMSA-N	298.342	2.620	50	40	CFGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(C#N)cc2)cc1	409365106	SQNOXAMKDZCYPW-MOSHPQCFSA-N	291.354	2.813	50	40	CFGB	
CC[Si](O[Si](C)C)(O[Si](C)C)O[Si](C)C	197324733	GGEMEVGSTRMIIF-UHFFFAOYSA-N	279.613	2.748	50	40	CFGB	
CN(C)/C=C(\C#N)P(=O)(c1ccccc1)c1ccccc1	97946893	DOMGHZPVFPWQNO-SAPNQHFASA-N	296.310	2.927	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1	8101462	BZGXGYWENYRLAD-XDHOZWIPSA-N	293.326	2.661	50	40	CFGB	
Cc1ccsc1C(=O)N/N=C/c1ccc2c(c1)OCO2	355685	UPAXMDOPLJIKTL-VIZOYTHASA-N	288.328	2.549	50	40	CFGB	
Cc1ccc(C(=O)NNC(=S)Nc2cccc(C)c2)cc1	2684466	GHSYEEDNVCCBTL-UHFFFAOYSA-N	299.399	2.935	50	40	CFGB	
C/C(=N\NC(=O)c1cc(Cl)ccc1O)c1cccnc1	5621031	GOQZGZUBLLVUQE-RQZCQDPDSA-N	289.722	2.595	50	40	CFGB	
Cc1ccccc1COc1ccc(C(=O)NN)cc1Cl	216815275	RNCQFMCEYJQIKN-UHFFFAOYSA-N	290.750	2.831	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	277573	FVLGDBAKHOWVBP-CSKARUKUSA-N	297.270	2.508	50	40	CFGB	
NC(=O)N/N=C/C=C/C=C/C=C/c1ccc(F)cc1	2361202	DTLJHCBHVHJBNC-MGMVBBFKSA-N	259.284	2.605	50	40	CFGB	
Cc1ccccc1N[C@@H]1SC(=O)N(CCCl)C1=O	12113046	QRAXBBPNIDGBPL-SNVBAGLBSA-N	284.768	2.667	50	40	CFGB	
O=C(NN=C1CCCCCC1)[C@@H]1COc2ccccc2O1	47293	HGYWAPJAFRWJEN-HNNXBMFYSA-N	288.347	2.653	50	40	CFGB	
CC(C)[C@H](Br)C(=O)N1CCc2ccccc21	19483757	FJROJZJTUGYSJT-LBPRGKRZSA-N	282.181	2.995	50	40	CFGB	in-vitro
COc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1C	23402682	JJJYINBEUNYGDE-UVTDQMKNSA-N	284.359	2.969	50	40	CFGB	
CC/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccccc1	15899989	YYCRMVQHKFGSQT-JXAWBTAJSA-N	296.326	2.959	50	40	CFGB	
N#C/C(=C\c1ccccc1Cc1cccc(F)c1)C(N)=O	408875149	GJWGUBPDHXVJNM-XNTDXEJSSA-N	280.302	2.809	50	40	CFGB	
Cc1ccc2nc(Cl)c(/C=N/NC(=O)CC#N)cc2c1	408726978	CZALNXNBFSSODX-CAOOACKPSA-N	286.722	2.560	50	40	CFGB	
COc1ccc(C(=O)N/N=C\c2ccc(F)cc2)cc1	33296429	UKPYHZJHGFRDBZ-YVLHZVERSA-N	272.279	2.598	50	40	CFGB	
CC(C)(C)OC(=O)c1ccc(CBr)nc1	145674748	NDFOTTYJJYZQTB-UHFFFAOYSA-N	272.142	2.932	50	40	CFGB	
COC(=O)COc1ccc(CBr)cc1Cl	15042894	LBSIWCCORIORCF-UHFFFAOYSA-N	293.544	2.787	50	40	CFGB	
O=C(N/N=C1/C[C@H]2CC[C@@H]1C2)c1ccc(Cl)cc1O	17008028	MHJVLXOMOKAQLK-OADXGYSBSA-N	278.739	2.951	50	40	CFGB	
COc1ccc(/C=N/NC(=O)c2ccccc2C)c(OC)c1	3197108	RHHNKWVQGOKENN-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
O=C(N/N=C/c1ccncc1)c1cccc2ccccc12	254051	ISGGAVWNGPGYSF-XDHOZWIPSA-N	275.311	2.999	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2cccs2)cc1C	8182717	MZYPDYVDFWDMEY-CXUHLZMHSA-N	288.372	2.894	50	40	CFGB	
C/C(=N\NC(=O)CN1CCCCC1)c1cc(C)ccc1C	408719238	AJIHQVREPVLWJA-OBGWFSINSA-N	287.407	2.630	50	40	CFGB	
COc1ccc(/C=N\NC(=O)[C@H](C)Oc2ccccc2)cc1	31776117	AXUOQWWTMQNQAX-CYUIRQCWSA-N	298.342	2.613	50	40	CFGB	
O=[P@]1(N(CCCl)CCCl)OC[C@@H](CCl)O1	1562532	FBPDFKRQUQFZPE-KWKYVRJSSA-N	296.518	2.528	50	40	CFGB	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(N)cc1	14922151	UTJKYRAPRVJEJK-MHENUPEQSA-N	293.370	2.913	50	40	CFGB	
CC1(C)CC(=O)[C@@H](C(=O)CCc2ccco2)C(=O)[C@H]1Cl	104832606	QSRXWMPUHOLIOT-TZMCWYRMSA-N	296.750	2.573	50	40	CFGB	
COc1ccc2c3c(ccc2c1)[C@H]1C(=O)OC(=O)[C@H]1CC3	104253664	RAPPFGSGWRDTDR-LSDHHAIUSA-N	282.295	2.578	50	40	CFGB	
O=C(NNc1ncnc2ccccc12)c1ccccc1F	6784381	RARFJCVYHPNRDP-UHFFFAOYSA-N	282.278	2.526	50	40	CFGB	
COc1ccc(N(CC(C)C)C(=O)CCl)cc1OC	199758888	CBRDOYLBHLWTAW-UHFFFAOYSA-N	285.771	2.932	50	40	CFGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(N)=O)cc21	208457258	LIMZIWDZSQUQHV-GIJQJNRQSA-N	286.379	2.629	50	40	CFGB	
C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccco1	223151	KQWFGUOYKDSESR-SFQUDFHCSA-N	271.320	2.540	50	40	CFGB	
Cc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1	22597134	YRIYZRRMJGOYOB-UHFFFAOYSA-N	293.326	2.551	50	40	CFGB	
Cc1ccc(C(=O)NNc2oc(C(C)C)nc2C#N)s1	58061024	OOKQWABHZOXTQV-UHFFFAOYSA-N	290.348	2.797	50	40	CFGB	
Cc1cc(C)nc(NNC(=O)Nc2ccc(F)cc2F)n1	14163105	PCXISOWAYSVUSQ-UHFFFAOYSA-N	293.277	2.520	50	40	CFGB	
CO[C@@H](C(=O)N/N=C/C(C)(C)CCC#N)c1ccccc1	408719747	LGRAUKVENOHVPX-CRRKTRLDSA-N	287.363	2.806	50	40	CFGB	
Cc1ccnc(Sc2ccc(C=C(C#N)C#N)o2)n1	409273477	RBDPIRSSJKILJP-UHFFFAOYSA-N	268.301	2.960	50	40	CFGB	
Cc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1Cl	45952530	SHLPKEYXIOGARY-QMMMGPOBSA-N	272.131	2.767	50	40	CFGB	
I[C@@H]1CCC[C@H]2CC[C@@H]1O2	45069873	ZVJZYCQQROXHBI-RNJXMRFFSA-N	252.095	2.522	50	40	CFGB	
OC[C@@H](Br)[C@H](Br)c1ccccc1	140339592	QBFQIVMHGSMOJV-RKDXNWHRSA-N	293.986	2.878	50	40	CFGB	
CCCCOCCOCCO[C@@H](CC)CCl	5420327	GZOWCBYIRMVQBZ-LBPRGKRZSA-N	252.782	2.854	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)o1	409034645	HXGNDAHKNQAQPD-OVCLIPMQSA-N	287.275	2.569	50	40	CFGB	
CCO[C@@H](c1ccccc1)c1noc(CCl)n1	72417708	QLVSRJXSHGSVLX-NSHDSACASA-N	252.701	2.934	50	40	CFGB	
CC1(C)CC(=O)[C@H]2C(C(C)(C)CCl)=NN[C@@H]2C1	228935009	ILYXLRMLDQIGMY-SCZZXKLOSA-N	256.777	2.585	50	40	CFGB	
CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1CBr	606301351	JYLQTSMQJJFJIY-SFYZADRCSA-N	282.153	2.729	50	40	CFGB	
O=C(CNc1ccccc1Cl)NN=C1CCCC1	586211	YQSGBMXVLFUSOS-UHFFFAOYSA-N	265.744	2.798	50	40	CFGB	
C[C@H]1CN1P(=O)(N1CCc2ccccc21)N1C[C@@H]1C	104380477	COMLPZBARCXWSR-HMUVNERESA-N	277.308	2.565	50	40	CFGB	
Cc1ccc(C(=O)N/N=C2/C[C@H]3C=CC[C@H]23)cc1[N+](=O)[O-]	5547388	DQXMFHHVERXHKZ-FZCVSMTESA-N	285.303	2.585	50	40	CFGB	
C/C(=N\NC(=O)c1sccc1C)c1cccnc1	15933979	RFKQFMTXGRAMIT-XNTDXEJSSA-N	259.334	2.606	50	40	CFGB	
CC1(C)CC(=O)[C@H]2C(C(C)(C)CCl)=NN[C@H]2C1	228935021	ILYXLRMLDQIGMY-WPRPVWTQSA-N	256.777	2.585	50	40	CFGB	
COc1ccc(OCC(=O)NN=C2CCCCC2)cc1	499043	SDFHHEVBRGZMQC-UHFFFAOYSA-N	276.336	2.510	50	40	CFGB	
OB(O)c1ccccc1-c1ccccc1-c1ccccc1	169903045	JOAXPHWDIJKPAT-UHFFFAOYSA-N	274.128	2.700	50	40	CFGB	
Cc1ccccc1N[C@@H](C)C(=O)N/N=C/c1ccccc1	370549	MPYOPBXQKYLHSB-QCUKBLKESA-N	281.359	2.946	50	40	CFGB	
C#CCOc1ccc(Br)cc1C=C(C#N)C#N	7740353	WLZPIZRIZPSOSL-UHFFFAOYSA-N	287.116	2.892	50	40	CFGB	
O=C(OCCCCBr)[C@@H]1C[C@@H]2C=C[C@@H]1C2	100930695	LTWJFZJDGXQDID-GMTAPVOTSA-N	273.170	2.917	50	40	CFGB	
Cc1sc2nc(CCCCl)[nH]c(=O)c2c1C	9671550	AUHXTNCNYNJJND-UHFFFAOYSA-N	256.758	2.773	50	40	CFGB	
F/C(=C/C(F)(F)F)CI	83309322	AGIPBZMODQNVTF-HNQUOIGGSA-N	253.964	2.837	50	40	CFGB	
O=C(OCCCCBr)[C@H]1C[C@H]2C=C[C@@H]1C2	5377128	LTWJFZJDGXQDID-AXFHLTTASA-N	273.170	2.917	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2ccc(F)cc2[C@@H](C)CC1(C)C	223203187	ALISWAPSJOBDPR-GXFFZTMASA-N	293.386	2.686	50	40	CFGB	
Cc1ccc(NC(=O)CI)cc1C	45921999	VFOIULUBFSQEOP-UHFFFAOYSA-N	289.116	2.677	50	40	CFGB	
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCl	37014291	IFFPFEMDSDPIPJ-SNVBAGLBSA-N	255.745	2.957	50	40	CFGB	
O=C(Cl)OC[C@H](Br)C(F)(F)F	1083809765	GOFJOKJXDKQIHZ-REOHCLBHSA-N	255.417	2.688	50	40	CFGB	
CN(CCCl)c1cc(Br)c2nonc2c1	78549631	NWGBWWAOIMSZPT-UHFFFAOYSA-N	290.548	2.660	50	40	CFGB	
O=C(N/N=C/c1ccc(Br)s1)c1ccco1	55979	LVEAILHGWGOIGN-WUXMJOGZSA-N	299.149	2.868	50	40	CFGB	
Cc1ccc(S(=O)(=O)SC(F)(F)F)cc1	1722122	BMWAIPXLPUNZLV-UHFFFAOYSA-N	256.270	2.937	50	40	CFGB	
CCN(NC(=O)c1cccc(C)n1)c1ccc(C)cc1	26275483	VUOAHYBXPVJBSZ-UHFFFAOYSA-N	269.348	2.870	50	40	CFGB	
C[C@]12CC[C@@H]([C@@H](Br)C1=O)[C@@]2(C)CCC(=O)O	108359673	UHBNKGHKJHETSR-JJMKBETCSA-N	289.169	2.620	50	40	CFGB	
CCCCCCC/C=N/NC(=O)c1ccc[n+](C)c1	104183237	RZNJYRPEIAYANK-LFIBNONCSA-O	262.377	2.587	50	40	CFGB	
CCOC(=O)N/N=C/c1ccccc1Br	3275901	NZYPDDYTFCZKIJ-KPKJPENVSA-N	271.114	2.529	50	40	CFGB	
CCOc1ccc(CC(=O)N/N=C/c2cccs2)cc1	10475871	BRAJNNCNHIKPIZ-LFIBNONCSA-N	288.372	2.840	50	40	CFGB	
CCN(C[C@@H]1CCCN1Cc1ccccc1)C(=O)CCl	79393700	UDKPMJWDNLRPBQ-HNNXBMFYSA-N	294.826	2.738	50	40	CFGB	
C/C(C=O)=C\c1cc(Br)cc([N+](=O)[O-])c1	216776019	YJTNDCXGKNZRNJ-FARCUNLSSA-N	270.082	2.960	50	40	CFGB	
CC(/C=C/c1ccccc1)=N/NC(=O)[C@H](O)c1ccccc1	13564577	JXDVRGMQJDBIDW-UIEWRYKTSA-N	294.354	2.926	50	40	CFGB	
C[C@H](Cl)C(=O)N1CCN(c2cccc(Cl)c2)CC1	13609387	YYKPPFBRGILTLQ-JTQLQIEISA-N	287.190	2.616	50	40	CFGB	
CC(/C=C/c1ccco1)=N\NC(=O)c1ccc2c(c1)OCO2	4596698	LBZNZVXZFGHSKJ-TWYFDOCPSA-N	298.298	2.827	50	40	CFGB	
C[C@H](NC(=O)[C@@H](C)Br)c1ccccc1	3165498	QYAAFAXOBIYBIR-BDAKNGLRSA-N	256.143	2.647	50	40	CFGB	
O=C(N/N=C/c1cccnc1)C12CC3CC(CC(C3)C1)C2	3909350	GNBDKZBLKGSERW-YBFXNURJSA-N	283.375	2.748	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2cccnc2)c1C	5452278	CFOKXGBQGNHAKX-VXLYETTFSA-N	297.358	2.536	50	40	CFGB	
Cc1ccc(NC(=O)[C@@H](C)I)cc1	72226329	LJVBGEUPVLHJTF-MRVPVSSYSA-N	289.116	2.757	50	40	CFGB	
NNC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1	226256223	QCHVPYRTTPMLTC-SOFGYWHQSA-N	262.696	2.603	50	40	CFGB	
C#CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC)cc1	36936	NOEFSCDLBQFTHR-JLHYYAGUSA-N	253.301	2.831	50	40	CFGB	
O=C1N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O1	1772714889	BQEASFVIEPXWIG-CQSZACIVSA-N	267.284	2.531	50	40	CFGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1O	566385	FALLOHUZVUTJNX-MDWZMJQESA-N	294.310	2.952	50	40	CFGB	
CCCOc1ccc(C(=O)N/N=C/c2ccccc2O)cc1	20197217	QNVGWZXRZFNXCE-LDADJPATSA-N	298.342	2.945	50	40	CFGB	
Cc1ccsc1/C=N\NC(=O)Cc1cccs1	4719793	NPENCRHNNCXRFN-JYRVWZFOSA-N	264.375	2.811	50	40	CFGB	
CCOc1ccc(C(=O)CBr)cc1[N+](=O)[O-]	36225590	QQEQMZAWCWQSFX-UHFFFAOYSA-N	288.097	2.571	50	40	CFGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)cc1	93816	AXUOQWWTMQNQAX-RNEAKCBISA-N	298.342	2.613	50	40	CFGB	
N#C/C(=C/Nc1cccc(C(F)(F)F)c1)C(N)=S	100423184	HBQOOUPSZMXFBN-SREVYHEPSA-N	271.267	2.811	50	40	CFGB	
CN(C)C(=O)/C(C#N)=C/c1c(O)ccc2ccccc12	59333470	ODWLMHUOYFGGCT-FMIVXFBMSA-N	266.300	2.541	50	40	CFGB	
C[C@H](/C=N\NC(=O)COc1ccccc1)c1ccccc1	4724628	YFFCJFAPYAHDEK-IIMQCXAKSA-N	282.343	2.971	50	40	CFGB	
CCOC(=O)[C@H](Br)Cc1ccccc1	5717295	MVCUFNYFDQMSTE-SNVBAGLBSA-N	257.127	2.556	50	40	CFGB	in-vitro
COc1cc(-c2noc(CCl)n2)cc(OC)c1OC	5720176	XAMYNUKAAHNQJK-UHFFFAOYSA-N	284.699	2.501	50	40	CFGB	
CCO[Si](OCC)(OCC)c1c(C)cc(C)cc1C	199918081	ZPVOOHGAOUIGCO-UHFFFAOYSA-N	282.456	2.867	50	40	CFGB	
CC(C)=NNC(=O)CCCCCCCC(=O)NN=C(C)C	5382933	KSLBKKHJXYVUFV-UHFFFAOYSA-N	296.415	2.741	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(C#N)cc1)c1ccc(C)o1	6645922	XTFCLKSEOLFOHM-GZTJUZNOSA-N	267.288	2.614	50	40	CFGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(C)o2)c1	3578082	MJLXJJSKAPOKEN-RQZCQDPDSA-N	286.331	2.734	50	40	CFGB	
COc1cc(/C=C(/C#N)C(N)=O)cc(Cl)c1OC(C)C	96662778	CSPOUIIUARXAGD-WMZJFQQLSA-N	294.738	2.528	50	40	CFGB	
NNC(=O)c1cc2cc(C(F)(F)F)ccc2s1	95215880	DZUHJUINRQVCLQ-UHFFFAOYSA-N	260.240	2.524	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CNc2ccccc2C)c(O)c1	223610	GVDYWATXKDPTRX-VXLYETTFSA-N	297.358	2.571	50	40	CFGB	
[O-][n+]1ccccc1S[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1Cl	101315297	VPJMOIZJZVYUCD-QSFUFRPTSA-N	255.770	2.818	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)[C@H]1C[C@@H]2CC[C@@H]1C2	100062908	FENJDODVLIIMQQ-VPDILDFCSA-N	272.348	2.934	50	40	CFGB	
C/C(=N\NC(=O)c1sccc1C)c1cc(O)ccc1O	13321752	NFHAZMHPYHKCLL-OQLLNIDSSA-N	290.344	2.622	50	40	CFGB	
O=C1C(O)=C(CCCCl)C(=O)c2ccccc21	6664066	UNESMTJFVWTKIW-UHFFFAOYSA-N	250.681	2.897	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1nc2c(s1)C[C@@H](C)CC2	7067231	FKIBZVBNVVLQKY-WKMLFNHBSA-N	291.376	2.650	50	40	CFGB	
CCN(Cc1ccc(SC)cc1)C(=O)CCl	79420480	FNZIBSHRBHBBNX-UHFFFAOYSA-N	257.786	2.996	50	40	CFGB	
Cn1cc(/C=N/NC(=O)c2ccccc2)c2ccccc21	503879	FOVNBOUHDJESQH-WOJGMQOQSA-N	277.327	2.942	50	40	CFGB	
C[C@@H](NC(=O)CCl)c1ccccc1Br	3394818	RRBILYKCBGQDEH-SSDOTTSWSA-N	276.561	2.865	50	40	CFGB	
Cc1cc(/C=N/NC(=O)Cc2ccccc2)cc(C)c1O	107589329	NTYPUNAEQVTGLV-WOJGMQOQSA-N	282.343	2.702	50	40	CFGB	
O=C(N/N=C\c1ccccc1O)c1cc2ccccc2o1	26807576	FWLKMFMTJHYURR-YVLHZVERSA-N	280.283	2.902	50	40	CFGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccco2)c1	96482324	UGMKFZAARDKIAY-FLIBITNWSA-N	268.272	2.834	50	40	CFGB	
Cc1ccc(NCC(=O)N/N=C/c2cccs2)cc1	50349	XURMNTMVTHMMLK-CXUHLZMHSA-N	273.361	2.619	50	40	CFGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(O)c1	243239	YEWGGFDIRBBFPT-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
N#CC1=C(N)n2c(nc3ccccc32)N[C@H]1c1ccccc1	20086145	RMNIKBISMJKQDD-HNNXBMFYSA-N	287.326	2.854	50	40	CFGB	
O=C(O)CCc1ccc(N(CCCl)CCCl)cc1	329931	CXUFBRINAAJGEB-UHFFFAOYSA-N	290.190	2.988	50	40	CFGB	
CCC[C@H](C)NC(=O)NNC(=O)Nc1ccccc1C	43001531	OJCCBYDESLJIPY-NSHDSACASA-N	278.356	2.519	50	40	CFGB	
O=C(NN=C(CCl)CCl)c1cccc(Cl)c1	100244237	JNJOYKXYQZNTQD-UHFFFAOYSA-N	279.554	2.903	50	40	CFGB	
CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)OC(=O)[C@H]12	100083321	XLYXLZREVVUOAS-BHEGOAEISA-N	290.318	2.767	50	40	CFGB	
O=C(CCCCl)NCCc1c[nH]c2ccccc12	2543455	KODRQRQPXLQCCB-UHFFFAOYSA-N	264.756	2.846	50	40	CFGB	
COc1ccc(OCC(=O)N/N=C/[C@H]2CC=CCC2)cc1	5415521	ZLPDZWTYLKVIDP-HNEYUBDGSA-N	288.347	2.532	50	40	CFGB	
CCCCOc1ccc(/C=C(/C#N)C(=O)NC)cc1	40868251	WBMADGKJURAGKA-RAXLEYEMSA-N	258.321	2.518	50	40	CFGB	
CC[C@@H](C)n1c(CCC(C)C)ccc1C(=O)NN	226024908	SQGAUGMXBBLYRI-LLVKDONJSA-N	251.374	2.651	50	40	CFGB	
Cc1cc(O)ccc1N(Cc1ccncc1)C(=O)CCl	199756076	OVWHIALVGNEKFP-UHFFFAOYSA-N	290.750	2.868	50	40	CFGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2cccc(O)c2)c1	516732	JKMMAXGPWRHIOF-VCHYOVAHSA-N	298.342	2.538	50	40	CFGB	
CN1NC(c2ccccc2)=C(C#N)C(=O)C[C@@H]1c1ccco1	5808397	YTJIVKGSQDTZGU-CQSZACIVSA-N	293.326	2.665	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)[C@@H]1C[C@H]2CC[C@H]1C2	105395300	FENJDODVLIIMQQ-PGDZPXNQSA-N	272.348	2.934	50	40	CFGB	
N#CC1=C2CCCC[C@H]2[C@@H](c2ccco2)C(C#N)(C#N)C1=O	28105	COJLHLOWBGORHD-DOMZBBRYSA-N	291.310	2.990	50	40	CFGB	
CC(C)(CCl)C(=O)NCc1ccc(F)cc1F	2152651	SPMBDIQWBZYDKF-UHFFFAOYSA-N	261.699	2.846	50	40	CFGB	
O=C(NNc1ccc([N+](=O)[O-])cc1)NC1CCCCC1	5603380	KPNZLCUNDGDOIG-UHFFFAOYSA-N	278.312	2.554	50	40	CFGB	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccn1	5620962	NANIKOANJFBFNF-QCSDQTOZSA-N	279.343	2.726	50	40	CFGB	
Cc1cccc(O[C@H](C)C(=O)N/N=C\c2ccc(O)cc2)c1	32109254	QTCITHCEULFNGK-NCUBORBFSA-N	298.342	2.618	50	40	CFGB	
CC1=CC[C@H](C)[C@H]([C@H]2OC[C@@H](COCCCl)O2)C1	254448487	KKPZXFCAFCLUIS-DGAVXFQQSA-N	274.788	2.976	50	40	CFGB	
Cc1nn(-c2ccccc2)c(NCCCl)c1[N+](=O)[O-]	4277133	BNLRKWDWJRYSFV-UHFFFAOYSA-N	280.715	2.740	50	40	CFGB	
CCC[C@@H](C)NC(=O)NNC(=O)Nc1ccccc1C	43001530	OJCCBYDESLJIPY-LLVKDONJSA-N	278.356	2.519	50	40	CFGB	
CCOC(=O)N/N=C(\c1ccccc1)[C@@H](O)c1ccccc1	4697713	XLKNVJSXVOVHGN-XIGQLOAZSA-N	298.342	2.870	50	40	CFGB	
CCCCCC(=O)N/N=C/c1ccc(N(C)C)cc1	1956863	IASOTHASKROFES-FOWTUZBSSA-N	261.369	2.783	50	40	CFGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccnc1	4106549	RDPUSXWRQFVTJH-SWKXHUPFSA-N	269.348	2.683	50	40	CFGB	
CC(C)CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	6047947	PJDYSINSQOEWNM-UHFFFAOYSA-N	292.423	2.786	50	40	CFGB	
COc1ccccc1C(=O)N/N=C(\C)c1cccs1	5289489	JBJYOCLNHRXVMB-XNTDXEJSSA-N	274.345	2.911	50	40	CFGB	
O=C(NNc1ncc(Cl)cn1)c1cccc(Cl)c1	72427709	KZVKGASJGNUHFB-UHFFFAOYSA-N	283.118	2.540	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(O)cc2)c(C)c1	216039201	NFSVBZWEDDFBMT-WQRHYEAKSA-N	282.343	2.702	50	40	CFGB	
O=C1c2c(Br)cccc2O[C@H]1Br	98210841	LJILZTZKQCLSRT-MRVPVSSYSA-N	291.926	2.745	50	40	CFGB	
COc1ccc(OCC(=O)N/N=C(\C)C(C)(C)C)cc1	5282448	XQFVBMWQASNLTF-LFIBNONCSA-N	278.352	2.612	50	40	CFGB	
COC(=O)N/N=C/c1ccccc1OCc1ccccc1	182643	AIGOQORBXRPQQY-GZTJUZNOSA-N	284.315	2.956	50	40	CFGB	
CCOc1cc(C=O)ccc1OCCBr	113682128	KNXMUDYMGQSDRE-UHFFFAOYSA-N	273.126	2.672	50	40	CFGB	
O=C(N/N=C\c1ccc(Cl)s1)c1cccc(O)c1	408968463	ZBGYHNWXMFOPAL-AUWJEWJLSA-N	280.736	2.871	50	40	CFGB	
Cc1cccc(C(=O)N/N=C\c2ccc(C)c([N+](=O)[O-])c2)c1	408963965	KLCWSEHRCHRYAK-YVLHZVERSA-N	297.314	2.976	50	40	CFGB	
C[C@@H](CCC(=O)O)SSc1ccc([N+](=O)[O-])cn1	90694409	PRPUZAGHPOFJRJ-ZETCQYMHSA-N	288.350	2.983	50	40	CFGB	
CCC[C@@H](C(=O)NN)N1c2ccccc2[C@H](C)CC1(C)C	260613064	CQBFVYFOVUPKQT-DOMZBBRYSA-N	289.423	2.937	50	40	CFGB	
CCC(=O)Nc1ccc(C(=O)N/N=C(\C)C2CC2)cc1	68547	YNPQGCKZJPZABN-LICLKQGHSA-N	273.336	2.551	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2)cc1	512110	RDSGGFYWQNKWGF-SFQUDFHCSA-N	252.317	2.688	50	40	CFGB	
Cc1cc(C(=O)CCl)c(O)cc1C(=O)CCl	5534854	NPEJCFQQUCXBBG-UHFFFAOYSA-N	261.104	2.544	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)N2CCCC2)c(C)c1	3261458	MSSISDVEFUIKEA-XNTDXEJSSA-N	254.333	2.833	50	40	CFGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(Br)s1	59333813	ZUZSFMILYXTHEG-ALCCZGGFSA-N	285.166	2.506	50	40	CFGB	
O=C(CNc1ccc(F)cc1)N/N=C1/CCc2ccccc21	13139386	JZJDRZIYJRIECS-SILNSSARSA-N	297.333	2.704	50	40	CFGB	
CCc1ccc(C[C@@H](Br)C(=O)O)cc1	76306465	ILMYGOPMPDKKJC-SNVBAGLBSA-N	257.127	2.640	50	40	CFGB	
O=C(O)[C@@H](Br)c1ccc(Br)cc1	96511412	AFORTQUBOHDILI-ZETCQYMHSA-N	293.942	2.970	50	40	CFGB	
BrCC12C3C4C1C1C2C3C41CBr	169503641	VAZXQBFYTZQZLX-UHFFFAOYSA-N	289.998	2.514	50	40	CFGB	
N#C[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br	101953491	DEEVDUKZMAWCQE-XDQVBPFNSA-N	291.192	2.794	50	40	CFGB	
Cc1ccc(C(=O)NNC(=S)Nc2ccccc2C)cc1	16272781	YXZGSWAXFYYXKS-UHFFFAOYSA-N	299.399	2.935	50	40	CFGB	
C/C(=N\NC(=O)COc1ccc(C)cc1)c1cccs1	437482	BPCALZQUOIPCME-FOWTUZBSSA-N	288.372	2.976	50	40	CFGB	
Cc1ccc2c(c1)P(=O)(O)c1cc(C)ccc1S2	1561720	USFVUQLEAMXHAQ-UHFFFAOYSA-N	276.297	2.989	50	40	CFGB	
[O-][n+]1ccccc1S[C@H]1[C@@H](Cl)[C@H]2CC[C@@H]1C2	4594018	VPJMOIZJZVYUCD-BSJXLVFVSA-N	255.770	2.818	50	40	CFGB	
CC(C)C(=O)N/N=C\c1ccc(Br)cc1	58885346	SIRRQFFWJGNVAA-QPEQYQDCSA-N	269.142	2.555	50	40	CFGB	
CCOc1cccc(/C=N\NC(=O)c2ccc(OC)cc2)c1	408587891	HQFCKSCKSQIJRF-PDGQHHTCSA-N	298.342	2.858	50	40	CFGB	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCCc2ccccc21	74042936	ZHQWRDDLBZUHGA-CYBMUJFWSA-N	290.363	2.662	50	40	CFGB	
CCOc1cccc(/C=N\NC(=O)c2ccccc2)c1	408587604	GJOIQBGBIKRVHE-ATVHPVEESA-N	268.316	2.849	50	40	CFGB	
C[C@@H](CCCBr)N1C(=O)c2ccccc2C1=O	95215240	STNPMFVUVKDTLD-VIFPVBQESA-N	296.164	2.846	50	40	CFGB	
Nc1nc2c(s1)[C@H](Cl)C(=O)c1ccccc1-2	163440	KVCZMXLSFUCECI-SSDOTTSWSA-N	250.710	2.869	50	40	CFGB	
CCCCOc1ccc(/C=N/NC(=O)C(C)C)cc1	3159175	GBBYWYYEESFZBA-LFIBNONCSA-N	262.353	2.972	50	40	CFGB	
CCOC(=O)/C(C#N)=C(/C)CC(=O)Nc1ccccc1C	5456893	WJFXLTYOKCDJCW-SEYXRHQNSA-N	286.331	2.727	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1	61751	KUAWNASGVKFROK-YBFXNURJSA-N	281.359	2.866	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1F	100409617	GTHHRFQFFPRILT-JJJFEILQSA-N	258.296	2.754	50	40	CFGB	
CN(C)c1ccc(C(=O)N/N=C2/C[C@@H]3CC[C@H]2C3)cc1	20215668	WSPOVTPLKHUSIO-BVTOWSSGSA-N	271.364	2.658	50	40	CFGB	
N#CC1=C(N)N2CCCSC2=C(C#N)[C@H]1c1ccccc1	4278830	YJCHREYNFYDCRI-AWEZNQCLSA-N	294.383	2.652	50	40	CFGB	
COc1ccc(C(=O)N/N=C/C=C/c2ccccc2)c(O)c1	409392313	OWGDRNLTBOYATD-OKSYWBHRSA-N	296.326	2.830	50	40	CFGB	
Cc1ccc(C[C@@H](Br)C(=O)O)cc1C	76306438	RGGPNDOCWSEZOD-SNVBAGLBSA-N	257.127	2.694	50	40	CFGB	
COC(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C	179176	IKASPFLUPXITON-RQZCQDPDSA-N	289.310	2.923	50	40	CFGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1	207881076	GLYOBXOOOLJJSG-UVTDQMKNSA-N	270.332	2.683	50	40	CFGB	
O=C(N/N=C/c1cccc(Cl)c1)[C@@H]1CC12CCC2	62451	BDQHXFXNYXMSEV-RGZVIEDOSA-N	262.740	2.980	50	40	CFGB	
O=C(Cl)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1	22124401	PBVAJCJMSQKCCN-ZETCQYMHSA-N	291.656	2.824	50	40	CFGB	
COC(=O)/C(C(=O)CCl)=C(\C)Nc1cc(C)cc(C)c1	105570192	CSNLANONYRYHBZ-SDNWHVSQSA-N	295.766	2.970	50	40	CFGB	
COC1(OC)[C@]2(Cl)CC[C@]1(Cl)[C@H](Cl)[C@@H]2Cl	101018511	VLEBYRRBGMTEDL-YWIQKCBGSA-N	294.005	2.953	50	40	CFGB	
Cc1cc(N(CC(C)C)C(=O)CCl)ccc1O	199756233	FKMKPIMWWVJYDR-UHFFFAOYSA-N	255.745	2.928	50	40	CFGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(=O)O	13345004	ICWMDZWSAOSEKL-JLHYYAGUSA-N	292.294	2.930	50	40	CFGB	
CC[C@@H](Br)C(=O)Nc1nnc(C(C)C)s1	41181203	RIVBZOVDCNIAGE-ZCFIWIBFSA-N	292.202	2.774	50	40	CFGB	
Cn1cc(C(=O)N/N=C/c2ccccc2O)c2ccccc21	550411	KOOVIFRZHUTMLX-VCHYOVAHSA-N	293.326	2.648	50	40	CFGB	
Cc1cc(C)cc(NC(=S)NNC(=O)c2ccco2)c1	6571461	DRUVBYDJTFODTL-UHFFFAOYSA-N	289.360	2.528	50	40	CFGB	
C/C(=N/NC(=O)c1ccc(Cl)s1)c1cccnc1	15933616	NEPNLKIYIHRXKX-NVNXTCNLSA-N	279.752	2.951	50	40	CFGB	
Cn1c(SCCCCl)nnc1-c1ccc[nH]1	228980024	VXTMHAPRJIIURZ-UHFFFAOYSA-N	256.762	2.531	50	40	CFGB	
O=C(N/N=C/c1ccc(F)s1)c1cccc([N+](=O)[O-])c1	252485440	GVQGRUJYJBCWSL-VGOFMYFVSA-N	293.279	2.559	50	40	CFGB	
COc1ccccc1NC(=O)NNc1ccc(F)cc1	12767672	VQFISOJQESVILA-UHFFFAOYSA-N	275.283	2.983	50	40	CFGB	
CCCOc1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1	217706207	PLKKSHGMDCLJNA-SNVBAGLBSA-N	281.739	2.594	50	40	CFGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccncc2)c1	223170320	LHCPZCMBPSNUNG-LCYFTJDESA-N	279.299	2.636	50	40	CFGB	
CNC(=O)/C(C#N)=C\c1cc2cc(C)c(C)cc2o1	98018768	LZOIGUCMEIOOBT-GHXNOFRVSA-N	254.289	2.703	50	40	CFGB	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(Cl)cc1	5379689	VTQIAXIDINPWQP-UHFFFAOYSA-N	285.731	2.901	50	40	CFGB	
CC(C)(C)CNC(=O)[C@H](Br)C(C)(C)C	4285643	QBTLERYPTUZMCM-QMMMGPOBSA-N	264.207	2.958	50	40	CFGB	
CC1=C2CC[C@@H](C)CC2=C(C#N)C(=C(C#N)C#N)N1	102413706	WFXFMOYZGYMMKU-SECBINFHSA-N	250.305	2.805	50	40	CFGB	
N#C[C@@H](C(=O)CCl)c1nc2ccccc2s1	2553256	IMHFEMYVEUVYET-ZETCQYMHSA-N	250.710	2.711	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/C=C/c2ccco2)cc1	2896602	ZLIKBJDOAKQJLS-PAKBQEMXSA-N	284.315	2.782	50	40	CFGB	
CCOc1cc(-c2nc(CCl)n[nH]2)ccc1OC	85385576	OZOIMHKEGFAXIZ-UHFFFAOYSA-N	267.716	2.618	50	40	CFGB	
Cn1cccc1/C=N/NC(=O)Cc1cccc2ccccc12	5174742	OMBDHPOJZUWSKA-CPNJWEJPSA-N	291.354	2.871	50	40	CFGB	
C/C(=N\NC(=O)COc1ccccc1C)C(C)(C)C	6218458	IHCCMQUUEULLRP-FOWTUZBSSA-N	262.353	2.912	50	40	CFGB	
Cc1ccc(C(=O)NNc2ncnc3ccccc23)cc1	3423868	RSDGCYDAXDDFIL-UHFFFAOYSA-N	278.315	2.695	50	40	CFGB	
O=C(CNc1ccccc1)N/N=C/C=C/c1ccco1	4711929	XJVGBNXQIPPYNM-KGUOSTGJSA-N	269.304	2.507	50	40	CFGB	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1c(F)cccc1F	35324260	RHQSKHPUNYDIOU-CQSZACIVSA-N	299.280	2.765	50	40	CFGB	
Cc1cc([N+](=O)[O-])ccc1OCCBr	72227034	QBIJGOUSOFBYPX-UHFFFAOYSA-N	260.087	2.677	50	40	CFGB	
COCOc1cc(CBr)cc(OCOC)c1	44790223	CIXWZGWUGNOKPC-UHFFFAOYSA-N	291.141	2.547	50	40	CFGB	
CO[Si](CCc1ccc(CCl)cc1)(OC)OC	195751053	IOLWRXMELRWXQY-UHFFFAOYSA-N	274.820	2.846	50	40	CFGB	
CO[C@@H](C(=O)N/N=C(\C)C(C)(C)C)c1ccccc1	15221843	RXIBCFWCXGQILL-KWWJGWKXSA-N	262.353	2.912	50	40	CFGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2N)cc1	59138	HWMJUTRIVCUOBI-XDHOZWIPSA-N	297.358	2.822	50	40	CFGB	
CCSSc1ccccc1C(=O)N[C@H](CC)CO	1611870	AMBPBVACKMWUDW-SNVBAGLBSA-N	285.434	2.948	50	40	CFGB	
ClCc1nnnn1-c1ccc(Cl)c(Cl)c1	4949978	GCRDRGCYYJWSGT-UHFFFAOYSA-N	263.515	2.708	50	40	CFGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1	6959307	VYRAINGHJHPBBC-LICLKQGHSA-N	297.314	2.976	50	40	CFGB	
COc1ccc([C@@H](CC(=O)Cl)C(=O)Cl)cc1	100687971	OINNYYNMGVJWMY-SECBINFHSA-N	261.104	2.700	50	40	CFGB	
O=C(OCCCCBr)[C@H]1C[C@H]2C=C[C@H]1C2	230309922	LTWJFZJDGXQDID-DCAQKATOSA-N	273.170	2.917	50	40	CFGB	
CNc1ccccc1C(=O)N/N=C\Cc1ccccc1	17024627	UAUIJRIIHGCMFN-PDGQHHTCSA-N	267.332	2.687	50	40	CFGB	
COc1cccc(/C(C)=N/NC(=O)c2ccoc2C)c1	232423	BBKCWMNJRRXXKJ-MHWRWJLKSA-N	272.304	2.751	50	40	CFGB	
COc1ccc(C(=O)NN=C2CCCCC2)cc1OC	5527284	HZDAYGGYSQRXDV-UHFFFAOYSA-N	276.336	2.754	50	40	CFGB	
CCCCCCCC[S@](=O)C[C@H](O)CCl	100243481	DOGDGSIXWAWHNZ-IAQYHMDHSA-N	254.823	2.695	50	40	CFGB	
C[C@H](Br)c1nc2ccccc2c(=O)o1	384332	AYNLROKLYRAIOG-LURJTMIESA-N	254.083	2.644	50	40	CFGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2cc(C)n[nH]2)C1	358680	UDKQCLXIKKZUFK-LMEYLDQESA-N	272.352	2.736	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)CSCc2ccccc2)n1	59484704	MDNIUFJXZPUFPD-LICLKQGHSA-N	299.399	2.774	50	40	CFGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cccc(F)c1	111669174	DYTJUCANTPORLV-ZDLGFXPLSA-N	274.270	2.658	50	40	CFGB	
C/C(=N\O)[C@H]1C[C@H]2C=C(C#N)[C@H]1N(Cc1ccccc1)C2	102954460	WFMNNEXNOLXAEP-SSKQGJGFSA-N	281.359	2.807	50	40	CFGB	
CC1(C)CC(=O)C/C(=N\NC(=O)Nc2ccccc2)C1	100007900	ZJAVAECSIQTJER-SFQUDFHCSA-N	273.336	2.943	50	40	CFGB	
O=C(CCl)Nc1nc2c(F)c(F)c(F)cc2s1	3491494	HTOINUVOJQPFRQ-UHFFFAOYSA-N	280.658	2.891	50	40	CFGB	
CC(C)CCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	13017285	JNXGKZYNGGYCQZ-UHFFFAOYSA-N	292.423	2.786	50	40	CFGB	
CN(C)c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)o1	408993425	CSSCCYRIDUGVOL-CXUHLZMHSA-N	291.738	2.763	50	40	CFGB	
NNC(=O)c1ccc(-c2ccc(Cl)c(F)c2)cc1	40566629	WWPOOMPCKOTZOD-UHFFFAOYSA-N	264.687	2.750	50	40	CFGB	
O=C(NN=C1CCCC1)C(=O)Nc1cccc2ccccc12	5605004	SQUPVSZHYDBTQF-UHFFFAOYSA-N	295.342	2.825	50	40	CFGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccco1	16991180	CSGSFXSMWCBTGS-SXGWCWSVSA-N	267.288	2.833	50	40	CFGB	
CC1(C)C(C#N)=C(SCc2ccccc2)NC(=O)[C@@H]1C#N	8943118	OFLFYMQTYHGCQQ-LBPRGKRZSA-N	297.383	2.951	50	40	CFGB	
Cn1cccc1/C=N\NC(=O)c1cccc(-n2cccc2)c1	409113154	GUUMEVFPKVWPKC-AQTBWJFISA-N	292.342	2.580	50	40	CFGB	
Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Cl	62719949	ZWQZFHQHGLNTLP-UHFFFAOYSA-N	256.092	2.608	50	40	CFGB	
O=CC1=CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1	31841817	WTPHUAMSGFPUII-OAHLLOKOSA-N	252.317	2.596	50	40	CFGB	
CC(=C/c1ccccc1)/C=N/NC(=O)c1cccnc1	256397	IBQCUYPFRQKZNZ-CGZFJWOTSA-N	265.316	2.901	50	40	CFGB	
O=C(N/N=C/c1cccs1)c1ccc(Br)o1	525097	ITCFUVPYMNCVGT-WUXMJOGZSA-N	299.149	2.868	50	40	CFGB	
N=c1ccn(C[C@@H](Cl)COc2ccccc2)cc1	1699152	LLXBGALBSOIZFE-GFCCVEGCSA-N	262.740	2.654	50	40	CFGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Nc2oc(C)nc21	8783189	SEDCMDLTZOIITI-CYBMUJFWSA-N	296.330	2.633	50	40	CFGB	
CCOC(=O)c1c(C(=O)CCl)c(C)n(CC)c1C	8037235	DFWRGLSBDVZQLB-UHFFFAOYSA-N	271.744	2.723	50	40	CFGB	
Cc1ccccc1C(=O)NNC1=CC(=O)CC(C)(C)C1	5343847	CHYVKUFNIPLWJH-UHFFFAOYSA-N	272.348	2.502	50	40	CFGB	
O=C(N/N=C\c1ccco1)c1cc2ccccc2o1	15994396	ACVNKFNHLGUSKG-DHDCSXOGSA-N	254.245	2.790	50	40	CFGB	
CC(C)[C@@H](Br)C(=O)N1CCCC[C@@H]1C	19435278	IYZUPJNTPXMFNM-VHSXEESVSA-N	262.191	2.807	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)s1)c1cc(O)cc(O)c1	2755601	ULADUNWQHCBDDF-MKMNVTDBSA-N	296.735	2.577	50	40	CFGB	
COc1cc(/C=C(\C#N)C(=O)C(C)C)ccc1OCC#N	44027339	NWYSERHWZKLDNM-MDWZMJQESA-N	284.315	2.730	50	40	CFGB	
N#C[C@H](C(=O)CCl)c1nc2ccccc2s1	4387933	IMHFEMYVEUVYET-SSDOTTSWSA-N	250.710	2.711	50	40	CFGB	
CCOC(=O)N/N=C/C(Cl)=C/c1ccccc1	4933124	RXYDBHGLBPFZMD-VRHZNZDDSA-N	252.701	2.998	50	40	CFGB	
CCOC(=O)/C(C#N)=C/Nc1cc(Cl)ccc1F	18991953	CBCSJQUTUDNNLJ-BQYQJAHWSA-N	268.675	2.862	50	40	CFGB	in-vitro
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(C)c(OC)c1	408807447	CMFKNIVIRNYJGB-ZBQKXELDSA-N	272.348	2.825	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2c(C)cccc2C(C)=CC1(C)C	223201604	WSAGNRUWUMLOPA-AWEZNQCLSA-N	287.407	2.765	50	40	CFGB	
C=Cc1ccc([Si](OCC)(OCC)OCC)cc1	196968040	ORFPMGWJDWEAAQ-UHFFFAOYSA-N	266.413	2.585	50	40	CFGB	
CC(C)c1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1	15423124	HWUXOTUNVGHCRM-LLVKDONJSA-N	296.798	2.882	50	40	CFGB	
CCOc1ccc(C(=O)N/N=C2/C[C@H]3CC[C@H]2C3)cc1	103798497	FGXBZQCQCXYCLX-XMPKOVAPSA-N	272.348	2.991	50	40	CFGB	
COc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)cc1	14178333	LATOOWQXQBASQV-JLHYYAGUSA-N	270.332	2.661	50	40	CFGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc(F)cc1F	6528901	UKNYHIMDPQKYIP-GIJQJNRQSA-N	275.258	2.514	50	40	CFGB	
CC(C)/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccccc1	4646833	LRCYHHNWXKEGMJ-PJCCXHTNSA-N	296.370	2.897	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2O)cc1	4827226	NZQVSXAEXBAWRQ-LDADJPATSA-N	298.342	2.863	50	40	CFGB	
O=C1Nc2ccccc2/C1=C/c1cc(C(=O)CCl)c[nH]1	6927939	TXAORZNEFJVBGJ-SDQBBNPISA-N	286.718	2.929	50	40	CFGB	
N#C[C@H](C(=O)N/N=C/c1cccs1)c1ccccc1	409205273	GVVRHDSHVNFRSL-RKPNYOAGSA-N	269.329	2.506	50	40	CFGB	
CC[C@@H](C)n1c(CCc2ccccc2)ccc1C(=O)NN	226028544	SQBXJLKFMFFARI-CYBMUJFWSA-N	285.391	2.848	50	40	CFGB	
FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@@H]3[C@@H]([C@@H]2Cl)N31	100114780	KTZIHWKLLROSMN-LMWUXKPISA-N	265.584	2.544	50	40	CFGB	
CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)c2ccoc2C)C1(C)C	22006766	GGIXFCQYCGMAJC-STQMWFEESA-N	290.363	2.587	50	40	CFGB	
COc1ccc(CC[C@]2(C)OC[C@@H](CCl)O2)cc1	1677868	ZSAZCHBDTHJWNU-ZIAGYGMSSA-N	270.756	2.998	50	40	CFGB	
O=C(Cl)Cc1ccc(Br)c(F)c1	98213491	FMXXLQRGEGMJTP-UHFFFAOYSA-N	251.482	2.896	50	40	CFGB	
CC(=O)N/N=C\c1cccn1-c1cccc(C(F)(F)F)c1	32126934	GJWJCZGYBTZMPY-NVMNQCDNSA-N	295.264	2.966	50	40	CFGB	
O=CC1=Cc2sc(=O)[nH]c2S[C@@H]1c1ccccc1	36633767	NPEHRMXLSHDEHD-LLVKDONJSA-N	275.354	2.866	50	40	CFGB	
CC(C)(C)OC(=O)N1C[C@@H](Br)C(F)(F)C1	606303367	WMHSFUDYRSKPOA-ZCFIWIBFSA-N	286.116	2.636	50	40	CFGB	
O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cccs1	11566036	UQBGIDXUIOOBJB-LICLKQGHSA-N	283.356	2.922	50	40	CFGB	
C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccccc1	243865	KEROMGGTCHNRIM-LVLBFHFTSA-N	268.316	2.604	50	40	CFGB	
C[C@H](OCCCl)OCc1ccc2c(c1)OCO2	1649304	SCBJLRVFLDVAKT-SECBINFHSA-N	258.701	2.533	50	40	CFGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Cl	22124624	NAPCWALSTYFXTQ-UHFFFAOYSA-N	256.689	2.820	50	40	CFGB	
CCOC(=O)/C(C#N)=C/[C@H]1CCO[C@](C)(CC)C1	3881541	WHTREOJLLJWTIG-AIDTXJDASA-N	251.326	2.595	50	40	CFGB	
O=[S@@](CCCl)c1ccc(Br)cc1	32628304	RHOVVYOIUVMYLJ-GFCCVEGCSA-N	267.575	2.796	50	40	CFGB	
CC(C)N(Cc1ccccc1)[C@H]1CCN(C(=O)CCl)C1	79414967	NUQRDLGZWCECFM-HNNXBMFYSA-N	294.826	2.737	50	40	CFGB	
Cc1ccc(S(=O)(=O)CCCBr)cc1	19788634	ZOEACTLFFZEVMD-UHFFFAOYSA-N	277.183	2.554	50	40	CFGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccco1	553493	PSSMAGKPAMPFEJ-RIYZIHGNSA-N	293.120	2.806	50	40	CFGB	
O=C(CCl)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1	4218661	UBIRILZFSIUJRI-UHFFFAOYSA-N	288.945	2.989	50	40	CFGB	
COc1cccc2c1C(=O)[C@H](Br)CC2	199752935	UCPIHPMNHHBBHG-MRVPVSSYSA-N	255.111	2.588	50	40	CFGB	
O=C(N/N=C/c1ccc(Cl)s1)c1ccncc1	34107	VPCUBWLLUUZIQB-VGOFMYFVSA-N	265.725	2.560	50	40	CFGB	
N#CSC/C(Br)=C/Br	1669354	MKZFDUNLCSMNOX-RJRFIUFISA-N	256.950	2.832	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)CSc2ccccc2C)n1	32412	LCVIDYCLAZPWMO-LICLKQGHSA-N	299.399	2.941	50	40	CFGB	
CCc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1	260178	NIQTZPXRVKSGTI-QGOAFFKASA-N	266.344	2.942	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(N)cc1	478000	YPCZJRORFOXQQB-LDADJPATSA-N	267.332	2.731	50	40	CFGB	
CCCC/C(C)=N\NC(=O)C(=O)N[C@H](C)c1ccccc1	59515692	RLVNMYZCENCVHU-FDIDITGRSA-N	289.379	2.546	50	40	CFGB	
N#C/C=C/CN1CCO[C@@H](c2ccc(Cl)cc2)C1	84393637	HEWFUMLGLHFOAP-VSZDKKFSSA-N	262.740	2.793	50	40	CFGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccncc2)c1C	18209529	CCRHDTPAIUJFOD-VXLYETTFSA-N	297.358	2.536	50	40	CFGB	
Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)CCl	161329	UKBOAVLGMIZOMC-UHFFFAOYSA-N	284.146	2.918	50	40	CFGB	
O=C(CCCCl)Nc1cc2ccccc2oc1=O	1614068	GSDSYRUXMLGTHI-UHFFFAOYSA-N	265.696	2.751	50	40	CFGB	
CCC(CC)=NNC(=O)c1c(C)nc2ccccn12	6210489	HBBVGSPZKWTNIH-UHFFFAOYSA-N	258.325	2.549	50	40	CFGB	
C[C@@H]1CCC/C(=N\NC(=O)c2ccc3c(c2)OCO3)C1	13955718	RCLRQTDHOZVNJW-RXLYCMMBSA-N	274.320	2.711	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2cccs2)cc1	5621129	KXXUOEQVQSEZJE-XNTDXEJSSA-N	274.345	2.911	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(OC)ccc1OC	408800468	MPZFAAOMKDWSGF-KAQJVSAMSA-N	288.347	2.525	50	40	CFGB	
O=C1OC(=O)c2cc3c(cc21)C(=O)O/C3=C/c1ccccc1	22347351	DCYLKNSYXHGQKU-MKMNVTDBSA-N	292.246	2.666	50	40	CFGB	
CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCl	79393704	BWPBXTZAGKAXLT-OAHLLOKOSA-N	294.826	2.596	50	40	CFGB	
CO[C@]1(C)C[C@@H](NC(=O)/C(C#N)=C/c2ccco2)C1(C)C	96443864	SKWWHHNAFBBZPP-KFUCAUQGSA-N	288.347	2.506	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc([N+](=O)[O-])cc1	101108460	KMOSZMOEOSCFRJ-CJFFUSRVSA-N	287.319	2.747	50	40	CFGB	
CC1(C)[C@H]2CC[C@]1(CI)OC(=O)C2	4137185	MSQROIFTGJCYJT-OIBJUYFYSA-N	294.132	2.543	50	40	CFGB	
CC(/C=C/c1ccco1)=N/NC(=O)c1ccc(C)nc1	13113878	REFVFKIXXJVUID-LSLGJYKGSA-N	269.304	2.802	50	40	CFGB	
COc1ccccc1C(=O)Oc1ccc([N+](=O)[O-])cc1	6153350	CPBMFVDCDPNIMB-UHFFFAOYSA-N	273.244	2.823	50	40	CFGB	
Nc1ccc(OC[C@@H](Br)C(F)(F)F)cc1	1083811711	HHMKTAAJGMGMRG-MRVPVSSYSA-N	284.075	2.973	50	40	CFGB	
C/C(=N\NC(=O)c1cccc(O)c1)c1cc(C)oc1C	5697634	COPNUYJMPMONLC-MHWRWJLKSA-N	272.304	2.756	50	40	CFGB	
O=C1C(CCl)=C(CCl)C(=O)c2ccccc21	2010894	GYYQVIJEJDNZFI-UHFFFAOYSA-N	255.100	2.840	50	40	CFGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(C#N)cc1	33624386	RKZAWWHRWQDNBK-YWDKIPSFSA-N	281.359	2.835	50	40	CFGB	
O=C(O)c1cccc(N(CCCl)CCCl)c1	1762988	WVXYNWIVVDXMJC-UHFFFAOYSA-N	262.136	2.669	50	40	CFGB	
CCCN1CCC(=NNC(=O)c2ccc(C)cc2)CC1	4113330	HYNPLSNLWWKGGU-UHFFFAOYSA-N	273.380	2.587	50	40	CFGB	
CC(C)OP(=O)(OC(C)C)[C@H](Br)C=O	2271799	XHGDJRFKXPWFJK-QMMMGPOBSA-N	287.090	2.949	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1F	100409611	GTHHRFQFFPRILT-FOUSACFDSA-N	258.296	2.754	50	40	CFGB	
CC(/C=C/c1ccccc1)=N\NC(=O)[C@@H](O)c1ccccc1	4694135	JXDVRGMQJDBIDW-QDUGBBOXSA-N	294.354	2.926	50	40	CFGB	
Nc1nc(CCl)[nH]/c(=N\c2ccc3ccccc3c2)n1	18043823	TUHLIPYSHRIRKP-UHFFFAOYSA-N	285.738	2.511	50	40	CFGB	
C[C@@H](Cl)C(=O)Nc1ccccc1N1CCCC1	34776763	QARLEWNXEROQNW-SNVBAGLBSA-N	252.745	2.853	50	40	CFGB	
CCN(Cc1ccccc1)C[C@H]1CCN(C(=O)CCl)C1	79414900	CGSGHHYBOGIGIV-OAHLLOKOSA-N	294.826	2.596	50	40	CFGB	
CC[C@H](C(=O)NN)N1c2ccc(C)cc2C(C)=CC1(C)C	223201524	KXROQKNUGMSOPS-CQSZACIVSA-N	287.407	2.765	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2	224004275	SETCSWXEUHFLEF-XICMEMFKSA-N	260.381	2.961	50	40	CFGB	
NNC(=O)c1csc(-c2cccc(Cl)c2Cl)n1	120701	DLCGCERSLQTRHR-UHFFFAOYSA-N	288.159	2.720	50	40	CFGB	
CC(C)c1[nH]nc2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2	971420	CXGFKGDICHIHRT-GFCCVEGCSA-N	298.321	2.890	50	40	CFGB	
CS(=O)(=O)SCCCCCCCCCCN	2576351	QXVOFBMUUCUSEC-UHFFFAOYSA-N	267.460	2.759	50	40	CFGB	in-vitro
OCC12C[C@@H]3C[C@@H](C1)CC(CBr)(C3)C2	102054133	GHYBKLVOEGRUQO-QYNFOATHSA-N	259.187	2.960	50	40	CFGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(N)=O	3570185	YRHRDNXGCKRPSB-FMIVXFBMSA-N	266.300	2.631	50	40	CFGB	
CCOC(=O)Cc1ccccc1CBr	39382621	GYHZOHHVPLIUGW-UHFFFAOYSA-N	257.127	2.687	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2	224004217	SETCSWXEUHFLEF-RNNLRRGASA-N	260.381	2.961	50	40	CFGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccncc1	5069503	XHWYLENSDCBWFE-UOWDCBNXSA-N	269.348	2.683	50	40	CFGB	
Cc1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cc1	8302563	REFGFSNIHUOWFR-UHFFFAOYSA-N	294.314	2.802	50	40	CFGB	
Cl[C@@H](Br)[C@@H](Cl)Br	100022295	RJMDFMUPJANPGX-JCYAYHJZSA-N	256.752	2.906	50	40	CFGB	
COc1ccc2c3c(ccc2c1)[C@@H]1C(=O)OC(=O)[C@@H]1CC3	104253670	RAPPFGSGWRDTDR-CABCVRRESA-N	282.295	2.578	50	40	CFGB	
O=[N+]([O-])c1ccc(N(CCCl)CCCl)cc1	4522863	UMNFMWKZDRHCFP-UHFFFAOYSA-N	263.124	2.879	50	40	CFGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccccc2)cc1	38822931	VILOUBQCACAQHI-XDHOZWIPSA-N	295.342	2.799	50	40	CFGB	
COCCNC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	6313474	OGVDAVKKKGDWHS-SDNWHVSQSA-N	286.375	2.654	50	40	CFGB	
Cc1cc(NC(=O)NCCCl)c2ccccc2n1	6182687	KDQTVKCVJSCFKG-UHFFFAOYSA-N	263.728	2.904	50	40	CFGB	
[C-]#[N+][C@H](c1cccnc1)S(=O)(=O)c1ccc(C)cc1	100057336	HFIQOYGYJOMSCI-AWEZNQCLSA-N	272.329	2.782	50	40	CFGB	
CN(Cc1cccc(C(F)(F)F)c1)C(=O)CCl	57214348	ARPBDBFJPMUDER-UHFFFAOYSA-N	265.662	2.903	50	40	CFGB	
N#CC(C#N)=Cc1cc([N+](=O)[O-])ccc1N1CCCC1	16406526	PRTOGRDUEGIXER-UHFFFAOYSA-N	268.276	2.626	50	40	CFGB	
COc1ccc(C=NNC(=O)[C@H](C)Oc2ccccc2)cc1	11582370	AXUOQWWTMQNQAX-ZDUSSCGKSA-N	298.342	2.613	50	40	CFGB	
CSC1=C(C#N)[C@H](c2ccco2)C(C(C)=O)=C(C)N1	12250623	OBKXNKXYESSYJU-CYBMUJFWSA-N	274.345	2.928	50	40	CFGB	
C[C@@H]1[C@@H]2C[C@H](C/C2=N\NC(=O)c2ccncc2)C1(C)C	100706441	IOTDVNRGAXIZDI-OGKKLYHKSA-N	271.364	2.870	50	40	CFGB	
C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccccn1	5381933	FSSFWOLOAVPABX-LICLKQGHSA-N	273.723	2.889	50	40	CFGB	
CC[C@@H](C)n1c(Cc2ccc(C)cc2)ccc1C(=O)NN	226029582	IHGPAPVPRODSFS-CYBMUJFWSA-N	285.391	2.962	50	40	CFGB	
C/C(=N/NC(=O)Cc1cccn1C)c1ccc(Cl)cc1	230884	SEPVPFAVGDHKJE-BOPFTXTBSA-N	289.766	2.761	50	40	CFGB	
COc1ccc(CCN(C)CCCCl)cc1OC	32143296	HJBBKVHYQQUPQW-UHFFFAOYSA-N	271.788	2.807	50	40	CFGB	in-vitro
CC1(C)CC(=O)[C@H](C(=O)CCc2ccco2)C(=O)[C@@H]1Cl	104832595	QSRXWMPUHOLIOT-JSGCOSHPSA-N	296.750	2.573	50	40	CFGB	
O=C(Cl)[C@H](Cl)CC[C@@H](Cl)C(=O)Cl	104181017	ZWSBFWFTKGEOHJ-QWWZWVQMSA-N	251.924	2.512	50	40	CFGB	
CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3ccncc3)[C@@H]1C2	102946939	RKMIHGGMEVPUDD-BCZDJZIOSA-N	269.348	2.790	50	40	CFGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccco2)c(OC)c1	7066667	ZPVLVDJXDXEEPC-FLIBITNWSA-N	298.298	2.842	50	40	CFGB	
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)CCl	34187515	WSWKTTVMLUYLGQ-ZDUSSCGKSA-N	283.755	2.745	50	40	CFGB	
CCCCCCc1cc(C(=O)NN)c2ccccc2n1	1681711	GQXVZISFAJUJEI-UHFFFAOYSA-N	271.364	2.961	50	40	CFGB	
O=C(NN=C(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1	4177970	VYTRZOBHHADTFN-UHFFFAOYSA-N	273.292	2.501	50	40	CFGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccccc1F	16045123	YWQIJOSXYNEQPA-LICLKQGHSA-N	272.279	2.685	50	40	CFGB	
O=C(CCl)NCCSCc1ccccc1Cl	408871410	YUDFPEFXJBCXCV-UHFFFAOYSA-N	278.204	2.928	50	40	CFGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccco1	408787422	ZZCMLZJKDVTUFX-CXUHLZMHSA-N	288.372	2.972	50	40	CFGB	
Nc1nc2ccc(C(=O)NN=C3CCCCC3)cc2s1	95482583	TYLIIZVMONQBAQ-UHFFFAOYSA-N	288.376	2.928	50	40	CFGB	
CC1=CC(C)(C)N([C@H](C)C(=O)NN)c2cc(Cl)ccc21	260722509	PHSOHXOCKJYCKN-SNVBAGLBSA-N	293.798	2.720	50	40	CFGB	
COc1cc(CCBr)cc(OC)c1OC	34285746	CUXORYBALTZBJP-UHFFFAOYSA-N	275.142	2.650	50	40	CFGB	
CC(/C=C\c1ccccc1)=N\NC(=O)c1ccncc1	17311119	COSOIDVYPRKBNX-NVQDTVFLSA-N	265.316	2.901	50	40	CFGB	
CC1(C)SC(N)=C(C#N)[C@H]2c3ccccc3OC[C@@H]21	19858358	ATNHWYMDPHHPMO-WCQYABFASA-N	272.373	2.998	50	40	CFGB	
Cc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)o1	5547597	RINYXRWLNUYJOF-CAOOACKPSA-N	291.738	2.804	50	40	CFGB	
CC1=CC[C@@H](C)[C@@H]([C@@H]2OC[C@H](COCCCl)O2)C1	6183130	KKPZXFCAFCLUIS-ZOBORPQBSA-N	274.788	2.976	50	40	CFGB	
CC[C@]1(c2ccccc2)CCCC/C1=N\NC(N)=O	104259171	ZZBXPPYFVYWOJM-OVGFGYAMSA-N	259.353	2.933	50	40	CFGB	
Cc1ccc2[nH]c(C(=O)NNC(=O)c3ccccc3)cc2c1	4704296	YDIDBZSWLHQSBS-UHFFFAOYSA-N	293.326	2.551	50	40	CFGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1C	408780724	JAMMVAFGSJFDQC-YBEGLDIGSA-N	270.336	2.798	50	40	CFGB	
Cc1ccsc1C(=O)NNC(=O)c1sccc1C	4281097	DRDMPCJMTPWRDS-UHFFFAOYSA-N	280.374	2.501	50	40	CFGB	biogenic
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1O	14003048	LSSAFFCNCRIPGF-LICLKQGHSA-N	288.734	2.738	50	40	CFGB	
C[P@](=O)(OCCCl)N(CCCl)CCCl	104379137	NWFBVEHESCFDDZ-AWEZNQCLSA-N	282.535	2.844	50	40	CFGB	
CC1=CC[C@@H](/C=N\NC(=O)COc2ccccc2)CC1	4724619	XXWLXIOCKAIMOV-RQNDZEIBSA-N	272.348	2.914	50	40	CFGB	
O=C(N/N=C/c1ccco1)c1cc2cc([N+](=O)[O-])ccc2o1	408966580	PGMMHGPODPGGEH-OVCLIPMQSA-N	299.242	2.698	50	40	CFGB	
Cc1cccc(NCC(=O)N/N=C\c2ccc(F)cc2)c1	33284715	BDQQZOVWEOQZME-GRSHGNNSSA-N	285.322	2.696	50	40	CFGB	
BrCc1cccc(-c2nn3cnnc3s2)c1	41126785	UGURKGXTIBAENQ-UHFFFAOYSA-N	295.165	2.748	50	40	CFGB	
CC1=C/C(=N/NC(=O)c2ccncc2)CC(C)(C)C1	246650	TUNOKQRAOHXRJU-LGMDPLHJSA-N	257.337	2.934	50	40	CFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)[C@@H]1C[C@H]1c1ccccc1	5684728	YHEIMBVHBHKWFQ-JRSFGXKSSA-N	266.344	2.858	50	40	CFGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(C)o2)c(C)c1	253142	DGFYTMPTISHLAO-RQZCQDPDSA-N	286.331	2.734	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1C	369597	LRJMNDJSIPLKEV-OVCLIPMQSA-N	287.275	2.569	50	40	CFGB	
Cc1ccccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	502742	XJOMIMXRDTVLSM-MHWRWJLKSA-N	283.287	2.667	50	40	CFGB	
O=C(NCCCl)Nc1cc([N+](=O)[O-])ccc1Cl	3225407	OCTHCPPGLAFWEW-UHFFFAOYSA-N	278.095	2.609	50	40	CFGB	
N#C/C(=C/Nc1ccc(Br)cc1)C(N)=S	104829286	CNXXLNUQKWTJFW-SREVYHEPSA-N	282.166	2.555	50	40	CFGB	
CCCC(CCC)=NNC(=O)C(=O)Nc1ccccc1F	59434100	YJOGHVYMLHAOIE-UHFFFAOYSA-N	293.342	2.837	50	40	CFGB	
O=C(N/N=C/c1ccccn1)c1csc2c1CCCC2	2767439	IUZBPFWMHBSRFM-RQZCQDPDSA-N	285.372	2.786	50	40	CFGB	
CCC(=O)NNC(=S)Nc1ccc(Cl)cc1Cl	6396450	QERXYNZAOIIUEM-UHFFFAOYSA-N	292.191	2.721	50	40	CFGB	
Cc1ccc(C(=O)[C@H](Br)CC(=O)O)cc1C	19927085	BHPOZWQXQLBHAR-SNVBAGLBSA-N	285.137	2.724	50	40	CFGB	
BrCCC(Br)Br	95670486	PYTGCWNMUAUPPL-UHFFFAOYSA-N	280.785	2.887	50	40	CFGB	
COc1cccc(NC(=O)NNc2ccccc2)c1	55169813	JSVFCSQGVPQEET-UHFFFAOYSA-N	257.293	2.844	50	40	CFGB	
CCCCNC(=O)/C(C#N)=C/c1ccc(F)cc1F	6428287	NRWAYBDMBPSBHW-YRNVUSSQSA-N	264.275	2.788	50	40	CFGB	
CC/C(=N\NC(=O)c1cccnc1)c1cccs1	16989903	FAKNKUGKORAMQI-RVDMUPIBSA-N	259.334	2.687	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C\c2ccccc2O)c(C)c1	216037857	GYHLGOUYNDOBIO-WQRHYEAKSA-N	282.343	2.702	50	40	CFGB	
CC(F)(F)OC[C@@H](Br)C(F)(F)F	1083807964	LFXONBNZLKFUQK-GSVOUGTGSA-N	256.996	2.942	50	40	CFGB	
COc1cccc(/C=N/NC(=O)c2ccc(C)cc2)c1OC	2771703	PERHSAMKBBAYLZ-WOJGMQOQSA-N	298.342	2.776	50	40	CFGB	
CO[C@]12CC[C@H](C(C)(C)C)CC1=C(C#N)C(C#N)=C(N)O2	96336595	VRGACUCQYZATBY-QFYYESIMSA-N	287.363	2.720	50	40	CFGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1ccncc1	255603	YMQMTSPGYLOKBC-CAOOACKPSA-N	277.686	2.638	50	40	CFGB	
COC1(OC)[C@@]2(Cl)CC[C@]1(Cl)[C@@H](Cl)[C@H]2Cl	3096486	VLEBYRRBGMTEDL-KVFPUHGPSA-N	294.005	2.953	50	40	CFGB	
COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CCl	12505802	BQUHWTMYNAGXFV-UHFFFAOYSA-N	296.537	2.957	50	40	CFGB	
C/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1C	5382401	YRJJYCWTARRSMD-LPQZUGQSSA-N	254.717	2.538	50	40	CFGB	
O=C(NNC(=O)c1ccccc1F)c1cc2ccccc2o1	7406563	RUAMMVWWUOPQSH-UHFFFAOYSA-N	298.273	2.647	50	40	CFGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(C)c1O	16438195	KNRVZCNWAKNOTO-NTEUORMPSA-N	270.332	2.538	50	40	CFGB	
C[C@@H]1Cc2cc(/C=N\NC(=O)c3ccccc3)ccc2O1	408710887	USGHMKXBGKEHHV-OTWJJXBCSA-N	280.327	2.774	50	40	CFGB	
CC(C)N(Cc1ccc(Cl)nc1)C(=O)CCl	79421671	FCVPRBXUMHGHSQ-UHFFFAOYSA-N	261.152	2.711	50	40	CFGB	
COc1cccc([C@@H]2CCCN2C(=O)CCl)c1	37654136	ZQQWOJHESAIQJL-LBPRGKRZSA-N	253.729	2.598	50	40	CFGB	in-vitro
Cc1ccccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	498321	LSJCCZZCSABTKF-MHWRWJLKSA-N	283.287	2.667	50	40	CFGB	
C[C@H](Sc1ccccn1)C(=O)NN=C1CCCCC1	188534	MMWFNKGFYUUNCH-NSHDSACASA-N	277.393	2.999	50	40	CFGB	
O=C(N/N=C/c1cccc(F)c1)c1ccccc1F	370596	PWIOILBKMYLGRA-RQZCQDPDSA-N	260.243	2.729	50	40	CFGB	
CCOC(=O)/C(C#N)=C1\NC(c2ccccc2)=CS1	103758442	ZLTRHRZRWPOAHU-ACCUITESSA-N	272.329	2.620	50	40	CFGB	
O=S(=O)(N[C@@H]1CCCC[C@H]1Cl)c1ccccc1	1643926	VHVYFYASSLVPSH-VXGBXAGGSA-N	273.785	2.515	50	40	CFGB	
COc1ccc(-c2nnc(NC(=O)CCCl)s2)cc1	39768674	YLLASOCXAUVTHV-UHFFFAOYSA-N	297.767	2.781	50	40	CFGB	
CCCC(CCC)=NNC(=O)c1cc(O)ccc1O	16990740	LNJKJWMJVFETMU-UHFFFAOYSA-N	264.325	2.784	50	40	CFGB	
O=C(N/N=C/c1ccccc1Cl)c1ccc(O)cc1	3095576	RTFXGOLWDKMXKC-CXUHLZMHSA-N	274.707	2.810	50	40	CFGB	
CCSSc1ccccc1C(=O)N[C@@H](CC)CO	6001960	AMBPBVACKMWUDW-JTQLQIEISA-N	285.434	2.948	50	40	CFGB	
COc1ccc(OCC(=O)NN=C2CCCCCC2)cc1	6684556	SBPVPEUTAHCRCI-UHFFFAOYSA-N	290.363	2.900	50	40	CFGB	
CCC/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])c(C)c1	4647118	TZHUUXRVPQNPEF-GXDHUFHOSA-N	263.297	2.809	50	40	CFGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1	408721538	SGVMQMPLWDWVOP-NERUDJNCSA-N	256.349	2.963	50	40	CFGB	
C[C@H]1Cc2cc(/C=N\NC(=O)c3ccccc3)ccc2O1	408710888	USGHMKXBGKEHHV-SJWFJVLYSA-N	280.327	2.774	50	40	CFGB	
Cc1ccc(N[C@H]2SC(=O)N(CCCl)C2=O)c(C)c1	36626570	FVCGNKLFPOBHKY-NSHDSACASA-N	298.795	2.976	50	40	CFGB	
COCC(=O)NN(c1ccccc1)c1ccccc1	48429685	HOJGXUYBGCHEEI-UHFFFAOYSA-N	256.305	2.502	50	40	CFGB	
COC(=O)/C(C#N)=C\c1ccc(OC)c(Br)c1	99981	UCKJLRXDNWBTDT-UITAMQMPSA-N	296.120	2.538	50	40	CFGB	
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CCl	34925355	IFGIXEWFGKASAS-UHFFFAOYSA-N	298.701	2.661	50	40	CFGB	
CC1=CC[C@H](C)[C@H]([C@@H]2OC[C@H](COCCCl)O2)C1	6183653	KKPZXFCAFCLUIS-IGQOVBAYSA-N	274.788	2.976	50	40	CFGB	
COC(=O)[C@H](Cl)c1ccc(Br)cc1	50977905	NSGPRRIZASKEEN-MRVPVSSYSA-N	263.518	2.902	50	40	CFGB	
O=C(N/N=C1/CCn2cccc21)c1cccc2cccnc12	84493765	WCWGLCBRKCABPQ-RGEXLXHISA-N	290.326	2.574	50	40	CFGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2C)cc1	408771069	CCHPOHABTAMWTO-WOJGMQOQSA-N	296.326	2.684	50	40	CFGB	
CCO[Si](C[Si](C)(C)C)(OCC)OCC	216484965	SXHSSLZAIFNXEC-UHFFFAOYSA-N	250.487	2.912	50	40	CFGB	
Cc1c(Cl)cccc1-c1ccc(/C=C/C(=O)NN)o1	226256718	VIHVUZMKOQEKHP-SOFGYWHQSA-N	276.723	2.912	50	40	CFGB	
CC(C)Cn1c(CC2CCCCC2)ccc1C(=O)NN	226023821	CRXMRCGIVWPBHH-UHFFFAOYSA-N	277.412	2.870	50	40	CFGB	
O=C(CCCC[C@H]1CCSS1)NCCn1ccnc1	42720715	PAEUZUWTYIVMAH-LBPRGKRZSA-N	299.465	2.713	50	40	CFGB	biogenic
Cc1ccn2c(C(=O)N/N=C/c3ccccc3)c(C)nc2c1	62888	DRRIYVPCRPTBAM-WOJGMQOQSA-N	292.342	2.715	50	40	CFGB	
C[C@@H](Cl)C(=O)Nc1ncc(Cl)cc1Cl	3252735	LNSJNKMEAJUSBK-SCSAIBSYSA-N	253.516	2.954	50	40	CFGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(O)cc2)cc1	409365719	WNSPJNWCLFCMGD-PDGQHHTCSA-N	282.343	2.647	50	40	CFGB	
FC(F)(Br)[C@@H](Cl)Br	95707878	QGCCTZALDPXCGS-PVQJCKRUSA-N	258.287	2.934	50	40	CFGB	in-vitro
Cc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2)c1	6645991	IFZXDIZFMDVVBZ-JKSUJKDBSA-N	294.354	2.560	50	40	CFGB	
Nc1cccc(C(=O)N/N=C/c2c(F)cccc2Cl)c1	45750	UIXOGYXAYQFROW-QGMBQPNBSA-N	291.713	2.825	50	40	CFGB	
COc1cccc(/C=N/NC(=O)CNc2ccccc2C)c1	261661	LXQBJPADXRMAOS-YBFXNURJSA-N	297.358	2.566	50	40	CFGB	
CC(=O)c1cccc(NC(=O)[C@@H](C)Br)c1	19942616	VKDQUJASMCBVII-SSDOTTSWSA-N	270.126	2.611	50	40	CFGB	
Cc1nc(-c2ccccc2)nc2c1C[C@@H](CSC#N)O2	2275652	DOTHOIIOJTZHKR-LBPRGKRZSA-N	283.356	2.970	50	40	CFGB	
O=C(CSCc1ccccc1)NN=C1CCCC1	20247955	SLIFBGNGIPVMFW-UHFFFAOYSA-N	262.378	2.966	50	40	CFGB	
CC(C)Oc1cccc(C(=O)N/N=C/c2ccoc2)c1	15933712	NFXBNFDDFIYYOW-CXUHLZMHSA-N	272.304	2.831	50	40	CFGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(O)cc1	36476299	DBDYIVALDDTKPD-ABJCYGQUSA-N	272.348	2.669	50	40	CFGB	
C[C@H](CNC(=O)CCl)c1nc2ccccc2s1	39947581	KNSSPOLSQDTJGM-MRVPVSSYSA-N	268.769	2.755	50	40	CFGB	
CC(C)CCCCNC(=O)[C@@H](C)Br	72221195	RZHFPTRZPVHQDT-SECBINFHSA-N	250.180	2.712	50	40	CFGB	
O[C@@H](CCI)c1ccc(F)cc1	45328571	UYQBOULHLSGQPI-VIFPVBQESA-N	280.080	2.684	50	40	CFGB	
O=C(N/N=C/c1cccc(Cl)c1)[C@H](O)c1ccccc1	487238	PQORMAMJLTYCEY-NGWPFTMJSA-N	288.734	2.524	50	40	CFGB	
CCCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	12697915	XIFBCQUDAKZVEZ-UHFFFAOYSA-N	294.420	2.968	50	40	CFGB	
N#CC(C#N)=Cc1cccn1-c1cccc(C(=O)O)c1	563719	NCXGVDBPLIWDBP-UHFFFAOYSA-N	263.256	2.606	50	40	CFGB	
CC/C(C)=N/NC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1C	4013092	TXYJWFVABDCGIP-LZYBPNLTSA-N	288.307	2.900	50	40	CFGB	
N#C/C(=C\c1ccccc1Cc1ccccc1F)C(N)=O	408867719	KAFWRRKFPIRGBL-XNTDXEJSSA-N	280.302	2.809	50	40	CFGB	
C[C@H]1CC(C)(C)N(C(C)(C)C(=O)NN)c2ccccc21	223207857	CDEBLZQSARBMII-NSHDSACASA-N	275.396	2.547	50	40	CFGB	
CC(C)(CBr)NC(=O)OC(C)(C)C	98213352	CLUAOIWMMSXCAI-UHFFFAOYSA-N	252.152	2.685	50	40	CFGB	
O=S(=O)(Nc1ccccn1)c1ccc(N=C=S)cc1	5486051	ZVMCJLUDHSKSPH-UHFFFAOYSA-N	291.357	2.617	50	40	CFGB	
CC/C(C)=N/NC(=O)CNc1ccccc1Cl	13070470	QTLIBGQPEQVQIH-OQLLNIDSSA-N	253.733	2.654	50	40	CFGB	
COc1ccc(OCC(=O)N/N=C2/CCC[C@@H](C)C2)cc1	33792370	NZRAFGJYULRCTJ-JJAGWCGDSA-N	290.363	2.756	50	40	CFGB	
CCCCCc1cc(C(=O)NN)c2ccccc2n1	1681710	NKSHHYKLZADXMI-UHFFFAOYSA-N	257.337	2.571	50	40	CFGB	
ClC[C@@H]1CS[C@@H](c2ccc3c(c2)OCO3)O1	1766742	JJKURWROWFPDRT-KCJUWKMLSA-N	258.726	2.785	50	40	CFGB	
O=C1C=C(NNC(=O)c2ccccc2)C[C@H](c2ccco2)C1	408751552	XRLKMXUSOYDVAC-ZDUSSCGKSA-N	296.326	2.545	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(Br)o1	408797883	HGZAETFENIFKFR-CYXIBPNKSA-N	297.152	2.864	50	40	CFGB	
O=C(NCCCl)Nc1cccc(OC(F)F)c1	95215877	HQWPACCXIMDHGW-UHFFFAOYSA-N	264.659	2.648	50	40	CFGB	
CC[C@H](C)Nc1ccc(NS(=O)(=O)CCl)cc1	5497283	SMIVJUIEMKPXTA-VIFPVBQESA-N	276.789	2.835	50	40	CFGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccncc2)C(C#N)=C(N)O1	351030	RADYSNNCVSUORP-ZDUSSCGKSA-N	280.331	2.713	50	40	CFGB	
CC[C@H]1CN1P(=O)(OCCCl)N1C[C@@H]1CC	4720721	PVDITTYZCAJDEH-YSICIUFASA-N	266.709	2.538	50	40	CFGB	
O=C(NN=C1CCCC1)c1cc(Br)ccc1O	15952105	ARFQENICZOGKLP-UHFFFAOYSA-N	297.152	2.815	50	40	CFGB	
CCc1ccc(/C=N/NC(=O)c2ccccc2O)s1	370824	IORVGLMYLAXJRA-OQLLNIDSSA-N	274.345	2.780	50	40	CFGB	
COc1ccc(/C=C2\C(=O)OC(=O)c3ccccc32)cc1	100514350	ZILJDWATZLTEPU-GDNBJRDFSA-N	280.279	2.933	50	40	CFGB	
N#C/C(=C/c1ccco1)C(=O)N1CCc2ccccc21	48707406	JPBZAMDKJOJGKG-RAXLEYEMSA-N	264.284	2.776	50	40	CFGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccncc1	6571528	LWJRYBSFWDDVDM-JLHYYAGUSA-N	279.299	2.636	50	40	CFGB	
C/C(=N\NC(=O)C1CC1)c1ccc(N2CCCCC2)cc1	5516902	ZVCAIWJTKPRGLL-QGOAFFKASA-N	285.391	2.927	50	40	CFGB	
COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCl)c1	9428928	RZXUCAQMZIQIRL-LBPRGKRZSA-N	283.755	2.606	50	40	CFGB	
COc1cc(CCl)c([N+](=O)[O-])cc1OC(F)F	8074979	ZELDFVLPXQZRPU-UHFFFAOYSA-N	267.615	2.944	50	40	CFGB	
O=C(CCl)N(Cc1ccccn1)c1cccc(O)c1	199755417	HMBWQQDIFUYZHV-UHFFFAOYSA-N	276.723	2.559	50	40	CFGB	
C[C@@H](Oc1ccccc1)C(=O)NN=Cc1cccs1	245241985	VVDWJARQHBZOGZ-LLVKDONJSA-N	274.345	2.666	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1	3195853	JUSYGCSBVFLRNM-LICLKQGHSA-N	256.280	2.898	50	40	CFGB	
C#CCOc1cccc(/C=N/NC(=O)c2ccccc2C)c1	9201317	LKMFXFYYJVIOAE-CPNJWEJPSA-N	292.338	2.771	50	40	CFGB	
Cc1ccc(C(=O)NNc2ccc(F)cc2)s1	45971444	SSLLSDRWWOUUIA-UHFFFAOYSA-N	250.298	2.953	50	40	CFGB	
C[C@@H](/C=N\NC(=O)c1ccccn1)c1ccccc1	5515402	YTAYNFVNXMFEIF-UEMWTREESA-N	253.305	2.601	50	40	CFGB	
CC1(C)SC(N)=C(C#N)[C@@H]2c3ccccc3OC[C@H]21	19858362	ATNHWYMDPHHPMO-YPMHNXCESA-N	272.373	2.998	50	40	CFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cccc(OC)c1OC	408815236	PRVKETJFRXEQPV-VSXLWIIGSA-N	288.347	2.525	50	40	CFGB	
C[C@H](NC(=O)/C(C#N)=C\c1cccn1C)c1ccccc1	192545607	VXIVLRMBAAUTLW-WZMONFQBSA-N	279.343	2.809	50	40	CFGB	
O=C(NNc1cccc(Cl)c1)c1cc(C2CC2)[nH]n1	30653822	SAIGGSUKYDVWBW-UHFFFAOYSA-N	276.727	2.697	50	40	CFGB	
N#C/C(=C\c1ccc[nH]1)C(=O)N1CCc2ccccc2C1	331495	XSTNGCOZFPROBK-XNTDXEJSSA-N	277.327	2.507	50	40	CFGB	
C=CCN[P@@](=O)(CCl)N(CCCl)CCCl	1687442	OEJWBBWIJDAREG-HNNXBMFYSA-N	293.562	2.931	50	40	CFGB	
CN(Cc1ccccc1)C1=NC[C@H](CBr)S1	2795853	PFTHGRSEWWPQNY-NSHDSACASA-N	299.237	2.985	50	40	CFGB	
CC1=CC[C@H](C)[C@@H]([C@@H]2OC[C@H](COCCCl)O2)C1	6183651	KKPZXFCAFCLUIS-XDQVBPFNSA-N	274.788	2.976	50	40	CFGB	
CC(=O)N/N=C/c1cc2ccc(C)cc2nc1Cl	7946788	IGDKYGAVVNOVPX-VIZOYTHASA-N	261.712	2.667	50	40	CFGB	
O=C(N/N=C1\C[C@@H]2CC[C@@H]1C2)c1ccc(Cl)cc1O	102334108	MHJVLXOMOKAQLK-ATLYPPRJSA-N	278.739	2.951	50	40	CFGB	
Cc1nc2ccc(Cl)cn2c1C(=O)NN=C1CCCC1	59516148	ZYAAREAWHJTJOP-UHFFFAOYSA-N	290.754	2.956	50	40	CFGB	
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C	12362520	LMVIELBUGDJXBP-NTEUORMPSA-N	263.297	2.747	50	40	CFGB	
Cc1ccsc1/C=N/NC(=O)COc1ccccc1	493574	ARUKORWLOSQWGP-OQLLNIDSSA-N	274.345	2.586	50	40	CFGB	
C[C@@]12C(=O)OC(=O)[C@@H]1CCc1c2ccc2ccccc12	100494200	KTDZHEOUAJICME-YOEHRIQHSA-N	266.296	2.743	50	40	CFGB	
CCSC1=C(C#N)[C@H](c2cccc(OC)c2)CC(=O)N1	9089029	ZWKMMUCSKFRVFE-LBPRGKRZSA-N	288.372	2.787	50	40	CFGB	aggregator
CCOc1cccc(/C=C(\C#N)C(=O)N[C@H](C)CC)c1	408809313	NTUXOWBOVAHQRU-ZMTLZGASSA-N	272.348	2.907	50	40	CFGB	
O=C1NC2(CCCCC2)N=C2[C@@H](Cl)CCC[C@]12Cl	31861205	ASJBUOKNTTYTBM-TVQRCGJNSA-N	289.206	2.987	50	40	CFGB	
C#CCOc1cccc(/C=N/NC(=O)c2cccc(C)c2)c1	409264180	NKYHZQPOHHFRCY-CPNJWEJPSA-N	292.338	2.771	50	40	CFGB	
Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccc(O)cc2)c1	117862	QTCITHCEULFNGK-FHXOWUIVSA-N	298.342	2.618	50	40	CFGB	
O=C(COc1ccc(Cl)cc1)NN=C1CCCC1	524047	CZSQNMVTROWQEJ-UHFFFAOYSA-N	266.728	2.765	50	40	CFGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(N2CCCC2)o1	59138233	YREJPMAFKOGFJN-QGOAFFKASA-N	297.358	2.573	50	40	CFGB	
C[C@@H](Cl)C(=O)N1CCN(c2cccc(Cl)c2)CC1	13609384	YYKPPFBRGILTLQ-SNVBAGLBSA-N	287.190	2.616	50	40	CFGB	
O=C(NN[C@@H]1CCCC/C1=N/O)Nc1cccc(Cl)c1	101292728	ACKUADUIJWOQGZ-ZJUCDATASA-N	296.758	2.739	50	40	CFGB	
CC/C(=N\NC(N)=O)[C@H]1C[C@]2(C)CC[C@@H]1C2(C)C	100363163	XOEPTCGYDLHANO-JCCPTTRFSA-N	251.374	2.883	50	40	CFGB	
CCn1cccc1/C=N/NC(=O)c1ccc(C)cc1	408932300	BXXOKKGPEDBMBJ-LFIBNONCSA-N	255.321	2.580	50	40	CFGB	
CS(=O)(=O)c1ncc(CCl)n1C1CCCCC1	47219284	XOCPWTSQCTVISK-UHFFFAOYSA-N	276.789	2.531	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2ccc(F)cc2C(C)=CC1(C)C	223201885	NLAXOXABJKQIBT-ZDUSSCGKSA-N	291.370	2.596	50	40	CFGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccnc1	4106547	RDPUSXWRQFVTJH-KTAQLRSZSA-N	269.348	2.683	50	40	CFGB	
O=C(CSc1ccncc1)NNc1cccc(Cl)c1	32901684	HYIMPHWMKJUWJP-UHFFFAOYSA-N	293.779	2.970	50	40	CFGB	
CSc1ccccc1C(=O)N/N=C/c1cccc(C)n1	59484668	DUEPCVBVYVOEMN-MHWRWJLKSA-N	285.372	2.876	50	40	CFGB	
CC(C)[C@@H](Br)C(=O)N1CCC[C@@H](C)C1	19427651	GELBNQNILVXHBL-NXEZZACHSA-N	262.191	2.664	50	40	CFGB	in-vitro
O=C(OCCCCBr)[C@@H]1C[C@H]2C=C[C@H]1C2	230309917	LTWJFZJDGXQDID-GARJFASQSA-N	273.170	2.917	50	40	CFGB	
C/C(=N/NC(=O)c1ccncc1)c1cccc(Cl)c1	4743964	KQQSBVWBUPQJNF-YVLHZVERSA-N	273.723	2.889	50	40	CFGB	
C[C@H]1CN1P(=O)(N1CC2CCC(CC2)C1)N1C[C@@H]1C	104383890	LOCSMOXTUMTLBZ-MLUDRKAFSA-N	283.356	2.625	50	40	CFGB	
CCc1ccc(CC(=O)N/N=C\c2cc(C)ccc2O)cc1	409364176	NICRAVYEGNDHPC-UNOMPAQXSA-N	296.370	2.956	50	40	CFGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(N)=O	3255592	VICPQNIECDJRND-NTEUORMPSA-N	296.301	2.797	50	40	CFGB	
O=C(CCl)Nc1cc2ccccc2cc1C(=O)O	36378218	WLXLYMHAHDZFSR-UHFFFAOYSA-N	263.680	2.715	50	40	CFGB	in-vitro
CO[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br	100019273	IYPLSDZKBBXDCH-RQJABVFESA-N	296.208	2.669	50	40	CFGB	
Cc1ccc(N2C(=O)C[C@@]3(C[C@H](Cl)N=N3)C2=O)cc1C	5146729	KLUWSYOLLSYEOK-RISCZKNCSA-N	291.738	2.726	50	40	CFGB	
CCCC/C(C)=N/NC(=O)CNc1ccc(OC)cc1	5692321	NRLGZJLZUYJDCC-SFQUDFHCSA-N	277.368	2.789	50	40	CFGB	
COc1ccc(NCC(=O)N/N=C2/CCC[C@@H](C)C2)cc1	5986431	VLUSRGJFLCSHSF-QJGCXADHSA-N	289.379	2.789	50	40	CFGB	
Cc1cc(O)ccc1N(Cc1ccccn1)C(=O)CCl	199756021	PXYLTGCQRGVAGD-UHFFFAOYSA-N	290.750	2.868	50	40	CFGB	
CC(C)[C@@H](Cl)C(=O)Nc1cnn(CCCCF)c1	96509031	ZFMFGEOMOXSJBS-LLVKDONJSA-N	275.755	2.835	50	40	CFGB	
Cc1cccc(/C=N/NC(=O)COc2ccccc2C)c1	584671	UPWSZGGLPSRMPH-WOJGMQOQSA-N	282.343	2.833	50	40	CFGB	
CN(C)C[C@@]1(C)CC(=O)[C@@H](Br)C(C)(C)C1	1675340	MBSOHHNBDYTCPS-PWSUYJOCSA-N	276.218	2.707	50	40	CFGB	
C[C@@H]1[C@@H]2C[C@@H](C/C2=N\NC(=O)c2ccncc2)C1(C)C	4837295	IOTDVNRGAXIZDI-YZYOLWOHSA-N	271.364	2.870	50	40	CFGB	
CCC(=O)Nc1cccc(NC(=O)CBr)c1C	35605523	UPCIFJWSIDEZBD-UHFFFAOYSA-N	299.168	2.677	50	40	CFGB	
CC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)[C@H](C=O)C1	199793778	GAXCCXCHMZNYFW-WDEREUQCSA-N	256.418	2.945	50	40	CFGB	
CC[C@H](NC(=O)CCl)c1ccc2c(c1)OCCCO2	98063778	BSQKXPRAIUZRBX-NSHDSACASA-N	283.755	2.654	50	40	CFGB	
COc1ccccc1-c1ccc2nnc(CCl)n2n1	96516519	XCTZBLFKEVZMHG-UHFFFAOYSA-N	274.711	2.539	50	40	CFGB	
O[C@H](CBr)c1ccnc2ccccc12	5939905	USRFYXPKXFXQNK-LLVKDONJSA-N	252.111	2.663	50	40	CFGB	
CC/C(=N\NC(=O)OC)c1ccc(OC(F)F)cc1	5020109	GUARQXGTUUAASC-XNTDXEJSSA-N	272.251	2.758	50	40	CFGB	
O=C(CCl)Nc1ccccc1N1CCCCC1	376344	BKINZVMVEFFJLE-UHFFFAOYSA-N	252.745	2.854	50	40	CFGB	
CC(C)[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N	19853039	IPBJODKCMRZNDM-GXTWGEPZSA-N	266.348	2.769	50	40	CFGB	
CCCCCC/C=N/NC(=O)c1cc(O)ccc1O	97965722	WQJFHVZBRBNVFY-OQLLNIDSSA-N	264.325	2.784	50	40	CFGB	
Cc1ccc(C(=O)N/N=C/c2cn(C)c3ccccc23)cn1	261541	UZCMEESEBWFNKQ-VXLYETTFSA-N	292.342	2.646	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/c2ccc(F)cc2)cc1	381191	BIILEKBLHHQWQQ-WOJGMQOQSA-N	286.306	2.527	50	40	CFGB	
N#C/C(=C1/C(=O)Nc2ccccc21)c1nc2ccccc2[nH]1	4550219	PDKQOSVCFXIPLV-PTNGSMBKSA-N	286.294	2.949	50	40	CFGB	
O=C(O)c1ccc(N(CCCl)CCCl)cc1	1628306	PCLQMXVMRDPVKX-UHFFFAOYSA-N	262.136	2.669	50	40	CFGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(N)=O)cc1	59133111	MNDFQURLCSZFSW-MHWRWJLKSA-N	292.338	2.966	50	40	CFGB	
C/C(=N/NC(=O)c1cc(C(C)C)[nH]n1)c1cccs1	9071338	BWBUORCJHAHWOT-ZROIWOOFSA-N	276.365	2.749	50	40	CFGB	
COc1ccc2c(c1)CC[C@H]1C2=CC[C@@H]2C(=O)OC(=O)[C@]21C	104373527	CFIUTHMLFDZXOQ-DAYGRLMNSA-N	298.338	2.751	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1O)c1ccccc1F	5018940	RLYMLNBBBWGSSF-LICLKQGHSA-N	272.279	2.685	50	40	CFGB	
CCCCC[C@@H](O)CCC(=O)N/N=C/c1ccccc1	6273455	GMRSSNLHJUBQFI-OVGFGYAMSA-N	276.380	2.858	50	40	CFGB	
CCC[C@H](C(=O)NN)N1c2ccccc2C(C)=CC1(C)C	223220136	PULYBDTZYWFCHG-OAHLLOKOSA-N	287.407	2.847	50	40	CFGB	
O=NN(CCSCCCl)C(=O)NC1CCCCC1	5492634	KJRPCFPUAWNDAQ-UHFFFAOYSA-N	293.820	2.984	50	40	CFGB	
CC1(C)[C@@H]2CC=C(/C=N/NC(=O)c3ccncc3)[C@H]1C2	20926871	RKMIHGGMEVPUDD-DTVMNVQKSA-N	269.348	2.790	50	40	CFGB	
CCOc1ccc(/C=C(\C#N)C(N)=S)cc1OCC	408541775	DRBXWIWTXVZXRI-YRNVUSSQSA-N	276.361	2.677	50	40	CFGB	
CO[Si](CC/C=C\c1ccccc1)(OC)OC	199522658	SOUMBTQFYKZXPN-XFFZJAGNSA-N	252.386	2.968	50	40	CFGB	
O=C1O[C@H](Br)C(Cl)=C1c1ccccc1	256049791	BLOQZCWHPZELIA-VIFPVBQESA-N	273.513	2.914	50	40	CFGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(N)=O)c1C	567177	BYQJWPQAPXRQMO-GIJQJNRQSA-N	284.363	2.713	50	40	CFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)[C@@H]1C[C@@H]1c1ccccc1	16991065	YHEIMBVHBHKWFQ-FBYXEVOUSA-N	266.344	2.858	50	40	CFGB	
CCCS[C@]1(CCC)OC(N)=C(C#N)C1=C(C#N)C#N	100252621	ZIWVMUYPJBARON-AWEZNQCLSA-N	288.376	2.694	50	40	CFGB	
CCOc1ccccc1/C=N/NC(=O)c1cccs1	253335	BJPUZEGCPGZXOX-XNTDXEJSSA-N	274.345	2.911	50	40	CFGB	
Cc1nn(C)cc1/C=N/NC(=O)c1csc2ccccc12	372767	SZKSXKNFVVZBLN-FRKPEAEDSA-N	298.371	2.707	50	40	CFGB	
CC(C)c1[nH]nc2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2	4453374	NWEQXEJYQXDBFR-LBPRGKRZSA-N	298.321	2.890	50	40	CFGB	
CCO[P@](=O)(c1ccccc1)c1ccccc1O	68600600	UYLFKUBRDJHVAO-GOSISDBHSA-N	262.245	2.658	50	40	CFGB	
COc1ccc(CN(C(=O)CCl)C(C)C)cc1	32108870	CTYMWRBLASHFLE-UHFFFAOYSA-N	255.745	2.671	50	40	CFGB	
COC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	33379225	ADCUXMCNVVBVDC-FLIBITNWSA-N	298.254	2.935	50	40	CFGB	
CO[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br	33414714	IYPLSDZKBBXDCH-DGAVXFQQSA-N	296.208	2.669	50	40	CFGB	
NNC(=O)c1ccccc1-c1nc2cc(Cl)ccc2o1	216921813	SYTQEGURGLXMJR-UHFFFAOYSA-N	287.706	2.752	50	40	CFGB	
Cn1c([C@H](O)CCl)nc2c3ccccc3ccc21	5504350	HRONAOBAVFUPOH-GFCCVEGCSA-N	260.724	2.999	50	40	CFGB	
O=c1cc(CCl)nc2sc3ccccc3n12	2648375	JUDOZXZVWBCGSJ-UHFFFAOYSA-N	250.710	2.648	50	40	CFGB	
CCCC/C(C)=N/NC(=O)C(=O)Nc1cc(C)ccc1C	59516024	FHKIFCHJEVZFIV-QGOAFFKASA-N	289.379	2.924	50	40	CFGB	
O=C(CCl)N1CCc2cc(Br)ccc21	9235232	AWKDKABVXZTIMG-UHFFFAOYSA-N	274.545	2.577	50	40	CFGB	
CCCc1cc(C(=O)N/N=C/c2cnn(C)c2)sc1C	7813888	UNASNMRXWZTAPY-VIZOYTHASA-N	290.392	2.506	50	40	CFGB	
C/C=C1\CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccccc14	64228212	VFUITWPFKLGEQA-QVCZRPKSSA-N	292.382	2.857	50	40	CFGB	
FC[C@](Cl)(Br)CBr	63146285	VWXWQRSPCISHJB-VKHMYHEASA-N	254.324	2.681	50	40	CFGB	
Cc1cccc(C(=O)NNc2ncnc3ccccc23)c1	44980105	VLDXSIGRYOFXSB-UHFFFAOYSA-N	278.315	2.695	50	40	CFGB	
COc1ccc(-n2nc(C)cc2C(=O)Cl)cc1	15441890	LJARMLGELGGTKH-UHFFFAOYSA-N	250.685	2.568	50	40	CFGB	
CCCCn1c(Cc2ccc(C)cc2)ccc1C(=O)NN	226029674	OUMHKWYMMYAKDJ-UHFFFAOYSA-N	285.391	2.791	50	40	CFGB	
COc1ccccc1C(=O)N/N=C/c1ccc(N(C)C)cc1	3020616	IIWLVJCNZIPKPF-LDADJPATSA-N	297.358	2.525	50	40	CFGB	
O=C(N/N=C/c1cccc(Cl)c1)[C@H]1CC12CCC2	62449	BDQHXFXNYXMSEV-GFQQVXNGSA-N	262.740	2.980	50	40	CFGB	
CC(=O)N/N=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1	409013191	MDRIXNCAWOKBKY-OVCLIPMQSA-N	287.275	2.633	50	40	CFGB	
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Cl)cc1	38338682	LLQFEJOMMQSNKE-LLVKDONJSA-N	250.729	2.869	50	40	CFGB	in-vitro
C[C@]1(CI)[C@H]2CC[C@]1(C)[C@H](O)C2	245204276	MBRHUYLTVIYBIZ-JLIMGVALSA-N	280.149	2.609	50	40	CFGB	
CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1COO	97972470	YJMDGEVSODXPHG-GFCCVEGCSA-N	265.309	2.968	50	40	CFGB	
CCOc1ccccc1[C@H]1C(C#N)=C(N)Nc2oc(C)nc21	12412465	SEDCMDLTZOIITI-ZDUSSCGKSA-N	296.330	2.633	50	40	CFGB	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(N)c1	5249890	LZHSWQVOFAJFTB-UIPUUYQRSA-N	293.370	2.913	50	40	CFGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccn2)c1	43080339	IMSXYQBBBSEHGJ-UKTHLTGXSA-N	279.299	2.636	50	40	CFGB	
COc1ccc(C(=O)N/N=C(\C)c2ccccc2O)cc1	5816766	RUJRYDHOXTZRHX-GZTJUZNOSA-N	284.315	2.555	50	40	CFGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ccccc1O	117221	VEOILXGZGZVLGU-JLHYYAGUSA-N	264.284	2.938	50	40	CFGB	
COc1ccc2ccccc2c1/C=N/NC(=O)C1CC1	70450	HPESASIAHHESIM-LICLKQGHSA-N	268.316	2.709	50	40	CFGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(O)c(Cl)c1	59334088	DQRJDNMYXQEQGI-BAQGIRSFSA-N	285.130	2.694	50	40	CFGB	
CC1(C)O[C@@H]2[C@@H](CCl)OC(C)(C)O[C@H]2[C@H](CCl)O1	104091786	HAHIUCXCJSRCCO-FIRGSJFUSA-N	299.194	2.504	50	40	CFGB	
CC(=O)NNC(=O)c1oc2c(ccc3ccccc32)c1C	8984619	SZGCTSZJENYMCR-UHFFFAOYSA-N	282.299	2.675	50	40	CFGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1	8973036	BVMVDAXEFZXPFA-CYBMUJFWSA-N	298.371	2.658	50	40	CFGB	
COc1ccc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)cc1	409368382	SRHUOSDKWQVWNI-ZDUSSCGKSA-N	285.347	2.873	50	40	CFGB	
C/C(=N\NC(=O)CNC1CCCCC1)c1ccc(C)cc1	409376716	AHNYUSPWPZPJBJ-XMHGGMMESA-N	287.407	2.758	50	40	CFGB	
CN1CCC(SSC2CCN(C)CC2)CC1	43191611	SFNJGHYQVQOLNF-UHFFFAOYSA-N	260.472	2.556	50	40	CFGB	
O=C(Cl)c1ccc([N+](=O)[O-])cc1Br	45954312	NBTMVUPANYTSDJ-UHFFFAOYSA-N	264.462	2.736	50	40	CFGB	
C[C@@H]1CC(C)(C)N(C(C)(C)C(=O)NN)c2ccc(F)cc21	223208382	XSIMIKFMWPXBDW-SNVBAGLBSA-N	293.386	2.686	50	40	CFGB	
O=C(N/N=C\C=C\c1ccccc1)c1ccccc1O	17024021	BCGXWFSQSOPZSL-NPDFUIFFSA-N	266.300	2.821	50	40	CFGB	
Cc1cc(C)nc(NNC(=O)c2cc3ccccc3o2)n1	11333758	SPYMUVLZVJVZOB-UHFFFAOYSA-N	282.303	2.597	50	40	CFGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)c1ccccc1[N+](=O)[O-]	111086120	PBTGERFGSPGQIL-FEMVOYPESA-N	285.303	2.523	50	40	CFGB	
CCOC(=O)c1sc(N(CC)C(=O)Cl)nc1C	255190320	WLNLIPDBBDXVFB-UHFFFAOYSA-N	276.745	2.813	50	40	CFGB	
O=C(N/N=C\Cc1ccccc1)N/N=C\Cc1ccccc1	17311379	NDZZRDLLIJFIDE-SXQSXHJWSA-N	294.358	2.743	50	40	CFGB	
CCOC(=O)[C@](OCc1ccccc1)(C(=O)Cl)C(C)C	1635470	NDLVNWMMDZJRTC-OAHLLOKOSA-N	298.766	2.927	50	40	CFGB	
Cc1cccc(C(=O)NNc2cccc(Cl)c2)n1	48429506	SUFZRDGHNFSALA-UHFFFAOYSA-N	261.712	2.800	50	40	CFGB	
C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccncc1	5381936	LOOJAJMSBYPILN-LICLKQGHSA-N	273.723	2.889	50	40	CFGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(Cl)cc1	409383109	RLEKPYFFLCCIAO-VCHYOVAHSA-N	293.798	2.712	50	40	CFGB	
O=C(NNC(=O)N(c1ccccc1)c1ccccc1)C1CC1	18191991	LQZPVLAOQDWLJM-UHFFFAOYSA-N	295.342	2.976	50	40	CFGB	
O=C1[C@@H](Br)CCCN1c1ccccc1	34436158	MFMWCNYXZVIHLW-JTQLQIEISA-N	254.127	2.577	50	40	CFGB	
O=C(Cl)c1ccc(F)cc1I	98210691	BWDGRTXYVARIQJ-UHFFFAOYSA-N	284.455	2.809	50	40	CFGB	
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)CSC#N)C2	3875787	IXEVGHXRXDBAOB-BREBYQMCSA-N	253.367	2.959	50	40	CFGB	in-vitro
CC(C)(C)c1ccc(O)c(/C=N/NC(=O)c2ccncc2)c1	4613876	DNMNEWMADJVUDM-YBFXNURJSA-N	297.358	2.849	50	40	CFGB	
N#Cc1ccc(C(=O)N/N=C/C=C/c2ccco2)c(F)c1	408968557	XGCXNGDJEFIGLL-BJEOCPPSSA-N	283.262	2.719	50	40	CFGB	
COc1ccc(CCC(=O)NN(C)c2ccccc2)cc1	3153969	YHFVICYKHLQAML-UHFFFAOYSA-N	284.359	2.795	50	40	CFGB	biogenic
O=C(N/N=C\c1ccc(O)cc1)c1cc2ccccc2o1	83331191	SPYKXENZYHZCQG-YVLHZVERSA-N	280.283	2.902	50	40	CFGB	
CCC(Br)(CC)C(=O)Br	2516062	LUTZMJZHVATZQM-UHFFFAOYSA-N	257.953	2.862	50	40	CFGB	
Cc1cccc(C(=O)NNC(=O)[C@H]2C[C@H]2c2ccccc2)c1	6645992	IFZXDIZFMDVVBZ-HOTGVXAUSA-N	294.354	2.560	50	40	CFGB	
C[C@H](Br)C(=O)Nc1sc2c(c1C#N)CCC2	20069012	SWARHMMQGBOQHI-LURJTMIESA-N	299.193	2.830	50	40	CFGB	
O=C(CCl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	3885240	AJSQUIGHPDQHLR-UHFFFAOYSA-N	282.605	2.791	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(O)c2)c(C)c1	20194622	LEMLFVJWCURXST-WOJGMQOQSA-N	282.343	2.702	50	40	CFGB	
C[C@H](NC(=O)CCl)c1ccc2c(c1)CCCC2	4206417	SAVUWIQTERSJFT-JTQLQIEISA-N	251.757	2.981	50	40	CFGB	
CO[C@@H](C(=O)NN=C1CCCCC1)c1ccccc1	20249048	QRAMRJMMSJDVBL-CQSZACIVSA-N	260.337	2.810	50	40	CFGB	
O=C(N/N=C\c1ccc(Cl)s1)c1ccco1	33328253	LOFHUQYRIUXXFE-SDQBBNPISA-N	254.698	2.758	50	40	CFGB	
COc1ccc(C2=NO[C@H](CBr)C2)cc1	217843399	NBGHMDFWNOZPLO-JTQLQIEISA-N	270.126	2.583	50	40	CFGB	
COc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1	5514501	KOPCDQPXCUFXDO-MRXNPFEDSA-N	278.311	2.913	50	40	CFGB	
CO[C@@H](C(=O)N/N=C(\C)c1ccc(O)cc1)c1ccccc1	13576140	SWLKGSAZGCJSME-YAJBTMAUSA-N	298.342	2.620	50	40	CFGB	
CC/C(C)=N/NC(=O)COc1ccc(Cl)cc1C	3899073	OJENCSIACJYDBU-XNTDXEJSSA-N	268.744	2.929	50	40	CFGB	
C/C(Cc1ccccc1)=N\NC(=O)c1n[nH]c2c1CCCC2	4696873	KKFJFNUAWWAZFW-LDADJPATSA-N	296.374	2.637	50	40	CFGB	
C[C@H](Cc1nc2ccccc2s1)NC(=O)CCl	39947586	ZIVWQJVLNPBABI-MRVPVSSYSA-N	268.769	2.582	50	40	CFGB	
Cc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	4737899	CSQNJUDYDGGHCI-UHFFFAOYSA-N	271.276	2.660	50	40	CFGB	
COc1cc(C[C@@H](C)Cl)c(OC)c2c1OCO2	14988013	XFGYZZTVUYUDKJ-SSDOTTSWSA-N	258.701	2.602	50	40	CFGB	
O=C(N/N=C\c1ccc(Cl)cc1)c1ccccc1O	33342527	HNHWDPXSZPBROS-SXGWCWSVSA-N	274.707	2.810	50	40	CFGB	
O=C(O)CC1(CSSCC2(CC(=O)O)CC2)CC1	33976986	CUVZSQALKWWFBI-UHFFFAOYSA-N	290.406	2.878	50	40	CFGB	in-vitro
O=C(CCl)[C@H]1CCCN(C(=O)OCc2ccccc2)C1	199812841	MJSXUNICETUOGD-ZDUSSCGKSA-N	295.766	2.843	50	40	CFGB	
FC1(F)Oc2cccc(CBr)c2O1	91252149	DWSQSTVDTPKIFZ-UHFFFAOYSA-N	251.026	2.903	50	40	CFGB	
COC(=O)c1cc(/C=C(\C#N)C(=O)C(C)(C)C)oc1C	17699989	LJWMVKYGDQLMQU-UXBLZVDNSA-N	275.304	2.897	50	40	CFGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1C	75862	NZNDCGLZMWQZMF-HNNXBMFYSA-N	298.342	2.640	50	40	CFGB	
Cc1cccc(C)c1C1C(C#N)=C(N)SC(N)=C1C#N	276327	VMVKGYYRZVQKDC-UHFFFAOYSA-N	282.372	2.522	50	40	CFGB	
CC(C)c1[nH]nc2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2	4453397	PFRSVCFBLYTWNC-GFCCVEGCSA-N	298.321	2.890	50	40	CFGB	
CC[C@@H](C(=O)NN)N1c2ccc(F)cc2[C@@H](C)CC1(C)C	223203127	ALISWAPSJOBDPR-GWCFXTLKSA-N	293.386	2.686	50	40	CFGB	
COC(=O)c1occc1/C=C(\C#N)c1nc(C)cs1	36396761	KCNDEPXJGBDKFN-BJMVGYQFSA-N	274.301	2.895	50	40	CFGB	
CC(=O)Nc1ccc2nc(NC(=O)[C@@H](C)Cl)sc2c1	20132167	ACDFYNLLIVILQV-ZCFIWIBFSA-N	297.767	2.821	50	40	CFGB	
CCOc1ccccc1/C=N/NC(=O)c1ccoc1C	228150	RRMVHWXDDCZWDA-MHWRWJLKSA-N	272.304	2.751	50	40	CFGB	
C=CCc1ccccc1OCC(=O)N/N=C/c1ccco1	535941	KBTXLDIUXCZVFS-GZTJUZNOSA-N	284.315	2.537	50	40	CFGB	
Cc1nc(CC(=O)N/N=C/C=C/c2ccccc2)cs1	8342244	ZADOTNPTMOVDQL-ZCPHBQKFSA-N	285.372	2.809	50	40	CFGB	
CCNC(=S)NC1=C(C#N)[C@@H]2CCCC[C@@H]2S1	4293406	HEQZSRFBXFGMFH-WPRPVWTQSA-N	267.423	2.511	50	40	CFGB	biogenic
Cc1cccc(C[C@@H](Br)C(=O)O)c1C	76306457	RNJCUMOBNAFHRN-SNVBAGLBSA-N	257.127	2.694	50	40	CFGB	
COc1ccc(CC(=O)N/N=C/[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1	225605005	HHDYTLZRTTYXIY-DCMQUHJCSA-N	284.359	2.552	50	40	CFGB	
CC(C)NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1Cl	5633220	QWMFJOKAEKNMGU-YHYXMXQVSA-N	293.710	2.680	50	40	CFGB	
O=C(NNc1cccc(C(F)(F)F)c1)C(F)(F)F	3123324	NXUYIVMZIHRQJH-UHFFFAOYSA-N	272.148	2.711	50	40	CFGB	
CC(C)NC(=S)NNC(=O)c1ccc(C(C)(C)C)cc1	5274176	YRNSQJATQFGXDS-UHFFFAOYSA-N	293.436	2.501	50	40	CFGB	
Cc1ccc2c(c1)N1CCCCC1=C(C#N)S2(=O)=O	67172862	XUDFJOKJXXDBMO-UHFFFAOYSA-N	274.345	2.508	50	40	CFGB	
CC(C)N(C(=O)CCl)[C@@H]1CCN(Cc2ccccc2)C1	79393726	VMQFTQGJHMZLBY-OAHLLOKOSA-N	294.826	2.737	50	40	CFGB	
CCn1cc(-c2nc(Cl)cc(CCl)n2)cn1	72226241	LAYPIMVYCKKSGF-UHFFFAOYSA-N	257.124	2.752	50	40	CFGB	
Cc1ccc(/C=N\NC(=O)c2cccs2)s1	13115242	XRQHVHXIZQRRNU-GHXNOFRVSA-N	250.348	2.882	50	40	CFGB	
C/C(=N/NC(=O)c1cccs1)c1cccs1	13136294	NZECVLMIUBMJSK-WQLSENKSSA-N	250.348	2.964	50	40	CFGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NC1CC1	1456701	PSJLKBGZTZXHMG-DHZHZOJOSA-N	265.316	2.662	50	40	CFGB	
CO[C@@]12CCCC[C@]1(C)C(C#N)(C#N)C(C#N)=C(Cl)N2	35323793	CDRJQCYJRGLIRI-OCCSQVGLSA-N	290.754	2.520	50	40	CFGB	
Cc1cccc(C(=O)NN=C(CCl)CCl)c1	100244226	WUTIWYRWUCTXNX-UHFFFAOYSA-N	259.136	2.558	50	40	CFGB	
O=C(N/N=C/c1ccccc1F)NC1CCCCC1	3273315	YNYUIXAXYKCALF-MHWRWJLKSA-N	263.316	2.792	50	40	CFGB	
N#C/C(=C\c1cccc(O)c1)C(=O)NCCc1ccccc1	3307698	MNIHYWAKEHZTQT-LFIBNONCSA-N	292.338	2.658	50	40	CFGB	
NNC(=O)N1c2ccccc2Sc2ccccc21	19015407	MSGWPODDLOYIHI-UHFFFAOYSA-N	257.318	2.873	50	40	CFGB	
O=C(N/N=C1/CCCc2ccccc21)c1ccccn1	102126032	GPCURKJOGPWYQB-JXAWBTAJSA-N	265.316	2.552	50	40	CFGB	
C#CCO[P@@](=O)(CCl)N(CCCl)CCCl	2043641	ZNKHVACNZRZXPX-HNNXBMFYSA-N	292.530	2.805	50	40	CFGB	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NC1CCCC1	58536696	FHNJSEVZVBZTFE-XFXZXTDPSA-N	285.303	2.561	50	40	CFGB	
CCCC/C(C)=N\NC(=O)C(=O)N[C@@H](C)c1ccccc1	59515691	RLVNMYZCENCVHU-CYUIRQCWSA-N	289.379	2.546	50	40	CFGB	
C/C=C1\CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccccc14	64228214	VFUITWPFKLGEQA-AGNLKDMFSA-N	292.382	2.857	50	40	CFGB	
C=CCOc1cccc(NC(=O)CBr)c1	35605087	NUDZUIHTHYJTJH-UHFFFAOYSA-N	270.126	2.585	50	40	CFGB	
COc1cc(CBr)ccc1OCCF	87776047	QCUIDUAUXYPGET-UHFFFAOYSA-N	263.106	2.938	50	40	CFGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)N2CCCCC2)cc1	4570776	UKVWISIUQIIITJ-NTCAYCPXSA-N	283.375	2.672	50	40	CFGB	
O=C(N[C@@H](Cl)C(=O)c1ccccc1)c1ccccc1	40541878	ZMANAHPLPILSDM-CQSZACIVSA-N	273.719	2.864	50	40	CFGB	in-vitro
C[C@@H]1CCc2c(sc3nc(CCl)[nH]c(=O)c23)C1	3276914	JGLLKEGGYWYAEE-ZCFIWIBFSA-N	268.769	2.848	50	40	CFGB	
CCCCc1ccc(NC(=O)CCNC(=O)CCl)cc1	8733007	FRSJJOZSBDRWAG-UHFFFAOYSA-N	296.798	2.713	50	40	CFGB	
NNC(=O)c1cc2cccc(C(F)(F)F)c2s1	44676155	OBPAHEOYDRRLJB-UHFFFAOYSA-N	260.240	2.524	50	40	CFGB	
[C-]#[N+][C@H](c1ccccn1)S(=O)(=O)c1ccc(C)cc1	101025678	ULEYWRQECJPVGM-AWEZNQCLSA-N	272.329	2.782	50	40	CFGB	
C/C(=N\NC(=O)c1sccc1C)c1ccncc1	15933719	LKKDLBSFTPNAEB-XNTDXEJSSA-N	259.334	2.606	50	40	CFGB	
O=C(CBr)c1ccc(OCC(F)F)cc1	169795964	MCKCUYKMSYJDMR-UHFFFAOYSA-N	279.080	2.908	50	40	CFGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(C)o2)cc1	512086	CLUIQWOHWNJIJL-MHWRWJLKSA-N	256.305	2.589	50	40	CFGB	
CCOC(=O)/C(C#N)=C/C=C(\Cl)c1ccccc1O	2577945	DCBKONDTYWVZMA-NFZZJPOKSA-N	277.707	2.985	50	40	CFGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccc2c(c1)OCCO2	6279722	LGXVAPWAXZVILR-DHZHZOJOSA-N	296.282	2.596	50	40	CFGB	
C/C(=N/NC(=O)COc1ccccc1C)c1ccco1	17007045	BAXCUHYLXOMREN-VBKFSLOCSA-N	272.304	2.507	50	40	CFGB	
Cc1ccsc1[C@@H]1C(C#N)=C(N)OC2=C1CCCC2=O	125506	WAVNBKKIEGUKJK-LBPRGKRZSA-N	286.356	2.871	50	40	CFGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(O)c1	4964920	YJUPDVAOGVPEBO-BMKJPTANSA-N	284.359	2.994	50	40	CFGB	
CC(C)(C)OC(=O)NNC(=N)Cc1ccc(Cl)cc1	1649680	LNCQFLSZOPKRQA-UHFFFAOYSA-N	283.759	2.889	50	40	CFGB	
CN(C)/C=C(\C#N)C(=O)c1ccccc1Br	12336353	YACLVWZVUUPOTD-CMDGGOBGSA-N	279.137	2.601	50	40	CFGB	in-vitro
NNC(=O)c1ccc([C@H]2C[C@@H]2c2ccccc2)cc1	8381583	NCCXTIMHSSGUEJ-HUUCEWRRSA-N	252.317	2.561	50	40	CFGB	
C/C(=N\NC(=O)CNc1ccc(F)cc1)c1cccs1	409361608	DJBYXNVBTABJQB-LICLKQGHSA-N	291.351	2.840	50	40	CFGB	
C/C(=C/C(=O)c1ccc(C)cc1)NNC(=O)c1ccco1	408958634	ZPZIPWOFEJMPNW-BENRWUELSA-N	284.315	2.609	50	40	CFGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccs2)c1	581718	DLKNMXXBZQUEJE-OQLLNIDSSA-N	290.344	2.529	50	40	CFGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)N(C)C	1106446	AWHBUULVOVBMQX-JLHYYAGUSA-N	280.327	2.844	50	40	CFGB	
Cc1cc(/C=N/NC(=O)c2ccccc2F)cc(C)c1O	8105401	HULONKBQQIEKNP-GIJQJNRQSA-N	286.306	2.912	50	40	CFGB	
BrCc1cncc(CBr)c1	100730560	IVPJVHHHVZSAQI-UHFFFAOYSA-N	264.948	2.871	50	40	CFGB	in-vitro
C#CCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1	8812320	GQAYUUPRVZKLKQ-XDHOZWIPSA-N	296.301	2.602	50	40	CFGB	
CCOc1ccc(CC(=O)N/N=C(\C)c2ccco2)cc1	10475908	HYKQQHHSOLUZCO-SFQUDFHCSA-N	286.331	2.761	50	40	CFGB	
N#CC1=C(N)N2CCCSC2=C(C#N)[C@@H]1c1ccccc1	4278829	YJCHREYNFYDCRI-CQSZACIVSA-N	294.383	2.652	50	40	CFGB	
CC1=C(C)[C@H](OCCBr)N(C(C)(C)C)C1=O	4547443	HGSWUFNNGKBSFL-NSHDSACASA-N	290.201	2.701	50	40	CFGB	
Cc1cccc(C(=O)N/N=C\c2ccc(F)cc2)c1	33297457	AQKRPIWNHSPNJE-YVLHZVERSA-N	256.280	2.898	50	40	CFGB	
CC(=O)Oc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1	357304	ROCXLKDQEJQDIU-GZTJUZNOSA-N	297.314	2.768	50	40	CFGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1	223201	FQWRGNILRXBXFO-VCHYOVAHSA-N	287.750	2.902	50	40	CFGB	
COc1ccc([C@H](NC(=O)CCl)C2CC2)cc1	12505720	QTACPWXJDSRIGJ-CYBMUJFWSA-N	253.729	2.501	50	40	CFGB	in-vitro
CCC(=O)Nc1cccc(NC(=O)CCl)c1C	37013743	CGRTXDIYWODYJD-UHFFFAOYSA-N	254.717	2.521	50	40	CFGB	
C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)o1	4065859	FVNJIRKVWXFOKK-XNTDXEJSSA-N	287.275	2.650	50	40	CFGB	
O=C(CCl)NCCOc1ccc(Cl)cc1Cl	4105110	YDVUTDAMJFFBOB-UHFFFAOYSA-N	282.554	2.727	50	40	CFGB	
O=C(COc1ccccc1)N/N=C\c1cccc(Cl)c1	33319274	ORQRIUXQFODEFN-YVLHZVERSA-N	288.734	2.869	50	40	CFGB	
COc1cc(CBr)c(F)cc1[N+](=O)[O-]	169801397	DBXYKSATQROGDL-UHFFFAOYSA-N	264.050	2.637	50	40	CFGB	
N#C/C(=C\c1ccco1)C(=O)NCc1cccs1	286691	KKPUUBABTDVLCY-JXMROGBWSA-N	258.302	2.564	50	40	CFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(Cl)cc1O	17022520	PEFGCLHCFSXZCW-VBYVGLJNSA-N	290.750	2.973	50	40	CFGB	
O=C(N/N=C\c1ccncc1)c1ccc(Cl)s1	32578332	HKRRDSFGTVCKDV-AUWJEWJLSA-N	265.725	2.560	50	40	CFGB	
C/C(=N\NC(=O)COc1ccc(C)cc1)c1ccco1	586240	SOPBOJRKJPYUDA-FOWTUZBSSA-N	272.304	2.507	50	40	CFGB	
C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccco1	516714	SWVRRBSZXSWPFD-GHRIWEEISA-N	286.331	2.816	50	40	CFGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccn2)cc1	1803155	NUUMBWPTNJHICF-GXDHUFHOSA-N	263.300	2.936	50	40	CFGB	
COc1ccccc1/C=C/C=N/NC(=O)c1ccccn1	2235183	BJWSTHRRVYHEGR-HIOLSYOPSA-N	281.315	2.519	50	40	CFGB	
CC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccncc2)c1	6511630	GAHSYCIFSHNEFM-OQLLNIDSSA-N	291.310	2.830	50	40	CFGB	
C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(O)cc1	4695840	FBOQFPYTYBCJNG-LICLKQGHSA-N	272.279	2.685	50	40	CFGB	
CC(C)[C@@H](Br)C(=O)NC1CCCCC1	19475591	ZKRGSPYOITYVDP-SNVBAGLBSA-N	262.191	2.855	50	40	CFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cccc(OC)c1	46705557	DIAUXKJSTHPOST-ZWSXMNCCSA-N	258.321	2.517	50	40	CFGB	
CNC(=O)/C(C#N)=C/c1c(OC)ccc2cccc(OC)c12	566611	FECIYEXZNOEPDT-FMIVXFBMSA-N	296.326	2.510	50	40	CFGB	
O=C(OCCCCBr)[C@H]1CC1(Cl)Cl	5377039	BPKZPGZKWXAUEW-ZCFIWIBFSA-N	289.984	2.899	50	40	CFGB	
O=NN(CCCl)C(=O)NC12CC3CC(CC(C3)C1)C2	4900291	OWGOPGLJEHFHQR-UHFFFAOYSA-N	285.775	2.887	50	40	CFGB	
N#CSC1=C(SC#N)C(=O)c2ccccc2C1=O	1670665	VIDLGTWTFGZJNO-UHFFFAOYSA-N	272.310	2.706	50	40	CFGB	
CCc1ccccc1C[C@@H](Br)C(=O)O	107843298	CJKAMAXHURETHV-SNVBAGLBSA-N	257.127	2.640	50	40	CFGB	
Fc1ccccc1CCI	98095597	DTVSVMHVPOMAQZ-UHFFFAOYSA-N	250.054	2.803	50	40	CFGB	
Cc1ccc2c(c1)S(=O)(=O)C(C#N)=C1CCCCCN12	67172872	SLXBVGWGBXIVPH-UHFFFAOYSA-N	288.372	2.898	50	40	CFGB	
N#C/C(=C\c1ccc[nH]1)C(=O)Nc1ccccc1F	15934540	UHHKNRWTEXPYQI-CSKARUKUSA-N	255.252	2.699	50	40	CFGB	
CCCC/C(C)=N/NC(=O)c1cc(OC)cc(OC)c1	8339464	DLKKCCSPYQLGRH-LFIBNONCSA-N	278.352	3.000	50	40	CFGB	
C/C(=N/NC(=O)c1cc(C)n[nH]1)c1ccc(Cl)cc1	17179679	FZRLIXPDGAKPIH-SXGWCWSVSA-N	276.727	2.526	50	40	CFGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccncc2)cc1	59473070	OXSPZSGXQZGRKQ-VCHYOVAHSA-N	299.399	2.774	50	40	CFGB	
Cc1ccc(C(=O)N/N=C\c2c(F)cccc2Cl)cn1	4600558	TVMOFQIMTXEPIZ-LSCVHKIXSA-N	291.713	2.946	50	40	CFGB	
O=C(N/N=C\c1ccc(N2CCCC2)o1)c1cccs1	408857826	QDPYFFKLXFXULA-GDNBJRDFSA-N	289.360	2.705	50	40	CFGB	
CO[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br	100295811	IYPLSDZKBBXDCH-RFQIPJPRSA-N	296.208	2.669	50	40	CFGB	
CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)c2ccoc2C)C1(C)C	22006769	GGIXFCQYCGMAJC-CHWSQXEVSA-N	290.363	2.587	50	40	CFGB	
C[C@H]1Oc2ccccc2C=C1/C=N/NC(=O)c1cccnc1	501500	GZAMTEIWYUEAFI-ZGXHQARYSA-N	293.326	2.662	50	40	CFGB