smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
[N-]=[N+]=NCC/C=C\C=C\c1ccccc1	34619105	RPYQRFAXEZXSNR-NXIYVMQXSA-N	199.257	3.956	10	10	AHCE	
CCCCCCc1cc(O)cs1	238231307	GBABNHOVSRIXGQ-UHFFFAOYSA-N	184.304	3.577	10	10	AHCE	
CCCCC[C@](C)(N=[N+]=[N-])SC	238224385	RSZXYUKOTFYOKJ-MRVPVSSYSA-N	187.312	3.956	10	10	AHCE	
Cc1cc(C)cc([C@@H](C)N=[N+]=[N-])c1	165895250	ILMGGLHEIDECFX-SECBINFHSA-N	175.235	3.675	10	10	AHCE	
C[C@@H]1CCC[C@H](SCCN=[N+]=[N-])C1	54694460	ADMQPFNLAZIFKC-BDAKNGLRSA-N	199.323	3.609	10	10	AHCE	
CCC[C@H](CC)[C@@H](C)N=[N+]=[N-]	238222860	LXXQZWOTMMISCO-SFYZADRCSA-N	155.245	3.512	10	10	AHCE	
CCCCSCCCCN=[N+]=[N-]	1912153115	DJQINNPPHMMXIM-UHFFFAOYSA-N	187.312	3.610	10	10	AHCE	
[N-]=[N+]=N[C@H]1CCc2cc(Cl)ccc21	675058601	NPBKYMVVVFANLE-VIFPVBQESA-N	193.637	3.638	10	10	AHCE	
CCCCc1ccc(CN=[N+]=[N-])cc1	38292962	DMYHLGQJWFNXNK-UHFFFAOYSA-N	189.262	3.840	10	10	AHCE	
[N-]=[N+]=NC[C@@H]1C[C@H]2CCC[C@H]1CC2	1888299362	WYTCITBRJXZJAL-GUBZILKMSA-N	179.267	3.513	10	10	AHCE	
CCc1ccccc1[C@@H](C)N=[N+]=[N-]	1883968126	WMQGJFWIDUXTKK-MRVPVSSYSA-N	175.235	3.620	10	10	AHCE	
CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)N=[N+]=[N-]	307654378	RCHMGLQVUWMDCR-NRPADANISA-N	179.267	3.512	10	10	AHCE	
CCCC=C=CCCCN=[N+]=[N-]	238212945	JRFUXCNYRFCXGI-UHFFFAOYSA-N	165.240	3.588	10	10	AHCE	
[N-]=[N+]=N/C=C/C=C/c1ccccc1	306929372	APPGJUGSMXTMGO-KBXRYBNXSA-N	171.203	3.524	10	10	AHCE	
[N-]=[N+]=NC1(/C=C/c2ccccc2)CC1	34622219	QZIXHPPIESBEST-VOTSOKGWSA-N	185.230	3.543	10	10	AHCE	
CCc1cccc(-n2c(C)ccc2C)c1	35120136	XJOMXSTXROPCFB-UHFFFAOYSA-N	199.297	3.657	10	10	AHCE	
C[C@H](CN=[N+]=[N-])C1CCCCC1	137905453	FAFHJSREBUUFEN-MRVPVSSYSA-N	167.256	3.513	10	10	AHCE	
CCCCCSCCCN=[N+]=[N-]	233037056	JHYIXVHPBAVTFZ-UHFFFAOYSA-N	187.312	3.610	10	10	AHCE	
Nc1ccccc1N=Nc1ccccc1	256081330	KQZBSZUGKSCFBL-UHFFFAOYSA-N	197.241	3.684	10	10	AHCE	
CC[C@@](C)(N=[N+]=[N-])c1ccccc1	216831507	IJNQNHMQVJDLNA-SNVBAGLBSA-N	175.235	3.622	10	10	AHCE	
Cc1ccc(CN=[N+]=[N-])c2ccccc12	1535836459	SYYRJXGBOUZBKM-UHFFFAOYSA-N	197.241	3.959	10	10	AHCE	
CS[C@H]1CCC=CCC[C@@H]1N=[N+]=[N-]	238395153	UPRDJGHPYDBTBT-IUCAKERBSA-N	197.307	3.527	10	10	AHCE	
[N-]=[N+]=NC[C@@H]1C[C@H]1C1CCCCC1	1877773730	YQVXJHJPJBECGQ-UWVGGRQHSA-N	179.267	3.513	10	10	AHCE	
CCCCC(=O)C[C@H](CCC)N=[N+]=[N-]	225502144	QQEHOKRCODFNKL-VIFPVBQESA-N	197.282	3.615	10	10	AHCE	
[N-]=[N+]=NC1=CC=CC2=CC=CC=C1C2	196036233	JCDHWZWJHVCBNL-UHFFFAOYSA-N	183.214	3.563	10	10	AHCE	
C[C@@H]1C[C@]1(/C=C\c1ccccc1)N=[N+]=[N-]	308693209	ODGUAUZSLZEREN-ALPGUUAYSA-N	199.257	3.789	10	10	AHCE	
CC1(C)[C@H]2CC[C@H](CCN=[N+]=[N-])[C@H]1C2	1535838767	RFIPNWOJADDCJY-KXUCPTDWSA-N	193.294	3.759	10	10	AHCE	
[N-]=[N+]=N[C@@H]1CCC[C@H]2CCCC[C@H]21	306406550	DENAIFLMNFNQOO-OPRDCNLKSA-N	179.267	3.656	10	10	AHCE	
[N-]=[N+]=NCC1=CCCCCCC1	238589216	IERCPSSONQDIMJ-UHFFFAOYSA-N	165.240	3.577	10	10	AHCE	
[N-]=[N+]=N[C@]1(c2ccccc2)CC[C@@H]2C[C@H]21	308685536	UQSZKVGDQMNJBR-JLLWLGSASA-N	199.257	3.622	10	10	AHCE	
[N-]=[N+]=NC/C=C/C=C\c1ccccc1	383690023	VKFNVYRFPWSRSN-FCLYREJYSA-N	185.230	3.566	10	10	AHCE	
CCCN=NNc1ccccc1Cl	1860489617	WGKIDPQPZLRRCE-UHFFFAOYSA-N	197.669	3.529	10	10	AHCE	
Cc1cccc2c(O)c(Cl)sc12	306772955	IBTBBRJPNSUGCL-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
CCC(C)(C)N=NC(C)(C)CC	256365845	ZGXHUGQEDPPKGZ-UHFFFAOYSA-N	170.300	3.816	10	10	AHCE	
C[C@]1(CN=[N+]=[N-])CCCCC1(F)F	1772801383	JPDRVXICHIPWTM-SSDOTTSWSA-N	189.209	3.512	10	10	AHCE	
CC(C)=C(CN=[N+]=[N-])c1cccs1	39039166	MGZMXLMKZVRMSU-UHFFFAOYSA-N	193.275	3.852	10	10	AHCE	
CC(C)=CCC/C(C)=C\CN=[N+]=[N-]	199838910	TVHVHSOCOVZUCZ-YFHOEESVSA-N	179.267	3.989	10	10	AHCE	
CC1=CCC(=C(C)C)C[C@@H]1N=[N+]=[N-]	238119748	RCHXBPOCLNMSOL-JTQLQIEISA-N	177.251	3.742	10	10	AHCE	
CS[C@@H]1CCC=CCC[C@H]1N=[N+]=[N-]	308084628	UPRDJGHPYDBTBT-RKDXNWHRSA-N	197.307	3.527	10	10	AHCE	
[N-]=[N+]=N/C=C\c1ccc(Cl)cc1	210625452	VETBUXVICPJTLY-WAYWQWQTSA-N	179.610	3.621	10	10	AHCE	
CS[C@]1(N=[N+]=[N-])CCCC[C@@H]1C	238398858	KVDRITQYOULAFH-JGVFFNPUSA-N	185.296	3.566	10	10	AHCE	
CC1(C)CC[C@H](CCN=[N+]=[N-])C1	1535845125	DARSTOKHQDZATJ-MRVPVSSYSA-N	167.256	3.513	10	10	AHCE	
N=Nc1[nH]c(N=N)c(N=N)c1N=N	238564942	CTAGDTDVHCBUSZ-UHFFFAOYSA-N	179.147	3.665	10	10	AHCE	
CCc1cccc(C(C)(C)N=[N+]=[N-])c1	201701006	UDVRDNRUHRILDN-UHFFFAOYSA-N	189.262	3.794	10	10	AHCE	
C[C@@H](/C=C/C=C\c1ccccc1)N=[N+]=[N-]	383689556	UKMOLCIHBCTPAJ-WTCXZWICSA-N	199.257	3.955	10	10	AHCE	
C/C(=C\c1ccccc1)CCN=[N+]=[N-]	1535950051	TVWCTGVXTKTUEP-MDZDMXLPSA-N	187.246	3.790	10	10	AHCE	
[N-]=[N+]=NCCCC1=CCc2ccccc21	143899415	PPSFMRHAROGBET-UHFFFAOYSA-N	199.257	3.717	10	10	AHCE	
[N-]=[N+]=N/C=C1/CCCc2ccccc21	306749488	KCVFCAODTHVSMF-NTMALXAHSA-N	185.230	3.674	10	10	AHCE	
C[C@H]1C[C@@H]1CCCCCN=[N+]=[N-]	2241647941	KGUMAPDRRMSXLN-IUCAKERBSA-N	167.256	3.513	10	10	AHCE	
[N-]=[N+]=NCCCCC1CCCC1	1535869025	SVQQGGBOCJRIFS-UHFFFAOYSA-N	167.256	3.657	10	10	AHCE	
CC(C)[C@@H](CN=[N+]=[N-])c1ccccc1	238150169	CIJYOCUEEDBLIR-LLVKDONJSA-N	189.262	3.737	10	10	AHCE	
C[C@@H](/C=C/C=C/c1ccccc1)N=[N+]=[N-]	383689554	UKMOLCIHBCTPAJ-DGVNLBILSA-N	199.257	3.955	10	10	AHCE	
C[C@H]1C=C[C@@H](C(C)(C)N=[N+]=[N-])CC1	238803841	HSXDMGGJQGDUOF-DTWKUNHWSA-N	179.267	3.678	10	10	AHCE	
CC1(C)CCC(CCN=[N+]=[N-])CC1	1535756654	SRHIYJNREMOGKN-UHFFFAOYSA-N	181.283	3.903	10	10	AHCE	
[N-]=[N+]=NCCCC1=CCCCC1	1951351098	RXEZZKJRBWWGNV-UHFFFAOYSA-N	165.240	3.577	10	10	AHCE	
CC(C)(CN=[N+]=[N-])Cc1ccccc1	144871825	SATGHWRZDADYPK-UHFFFAOYSA-N	189.262	3.566	10	10	AHCE	
C[C@@H](N=[N+]=[N-])[C@@H](F)c1ccc(F)cc1	238409346	ASAVPWPJSBVFLA-HZGVNTEJSA-N	197.188	3.535	10	10	AHCE	
[N-]=[N+]=N[C@@H]1CCC[C@@H]2CCCC[C@@H]21	238596857	DENAIFLMNFNQOO-LPEHRKFASA-N	179.267	3.656	10	10	AHCE	
CC[C@H](C)SCCCCN=[N+]=[N-]	1912147189	HGRKKBHTABNMTJ-QMMMGPOBSA-N	187.312	3.609	10	10	AHCE	
CC[C@@H]1CC[C@@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])C1	35803514	JDUOWIROULGCQB-BWZBUEFSSA-N	194.242	3.554	10	10	AHCE	
C/C=C/[C@H](N=[N+]=[N-])c1ccccc1	306909817	HSXHGVWKXMBPIH-LFKJVQOCSA-N	173.219	3.614	10	10	AHCE	
C[C@H]1C[C@]1(/C=C\c1ccccc1)N=[N+]=[N-]	702594598	ODGUAUZSLZEREN-RUSZENMMSA-N	199.257	3.789	10	10	AHCE	
CC[C@@H]1CCC[C@@](C)(N=[N+]=[N-])C1	34413321	KQRMBBPRZLRCIF-RKDXNWHRSA-N	167.256	3.656	10	10	AHCE	
CC1(C)CC[C@@]2(C)C[C@@H](N=[N+]=[N-])[C@@H]1C2	306303129	JLEQVLWRRAAKQR-IQJOONFLSA-N	193.294	3.902	10	10	AHCE	
C[Si](C)(C)C/C=C/CCCN=[N+]=[N-]	308047362	CJVPWIIJSMVDQS-FNORWQNLSA-N	197.358	3.971	10	10	AHCE	
CC1(C)[C@H]2CC[C@](C)(N=[N+]=[N-])[C@@H]1C2	208792932	JPNVUVKIHCDUPS-XKSSXDPKSA-N	179.267	3.512	10	10	AHCE	
C/C=C\[C@H](N=[N+]=[N-])c1ccccc1	383683231	HSXHGVWKXMBPIH-RILPQGNRSA-N	173.219	3.614	10	10	AHCE	
CC(C)(C)CC(C)(C)N=[N+]=[N-]	36455775	KORAOZGHGKTFAL-UHFFFAOYSA-N	155.245	3.512	10	10	AHCE	
[N-]=[N+]=N[C@@H]1CCSc2ccccc21	165895123	BPLJBCFVHGGPGA-MRVPVSSYSA-N	191.259	3.534	10	10	AHCE	
C/C(Cl)=C(/N=[N+]=[N-])c1ccccc1	307367266	MSYABDPTFUTDLM-CLFYSBASSA-N	193.637	3.924	10	10	AHCE	
CCCCCN=NNc1ccccc1	1860495158	REYGTCBNMCNDOK-UHFFFAOYSA-N	191.278	3.656	10	10	AHCE	
CCCCCCc1sccc1O	238233400	MFNQFWSFDCGCTD-UHFFFAOYSA-N	184.304	3.577	10	10	AHCE	
CSC1(N=[N+]=[N-])CCCCCC1	238412866	CZDXZFITUHKVDH-UHFFFAOYSA-N	185.296	3.710	10	10	AHCE	
CC[C@@H](N=[N+]=[N-])c1cccc(C)c1	307298266	WRJQSBWLDJLVEK-SNVBAGLBSA-N	175.235	3.756	10	10	AHCE	
CC1(C)[C@@H](N=[N+]=[N-])CC[C@]1(C)N=[N+]=[N-]	238208927	MGSOLOPUUZVWCG-XPUUQOCRSA-N	194.242	3.554	10	10	AHCE	
CC1(C)[C@@H]2C[C@@H]1CC=C2CCN=[N+]=[N-]	105244176	DEIVWAMYXFNREA-VHSXEESVSA-N	191.278	3.679	10	10	AHCE	
Cc1ccc([C@H](C)N=[N+]=[N-])cc1F	165886243	CUMIKHAQMYMCEV-ZETCQYMHSA-N	179.198	3.505	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1cccc(Cl)c1	165908327	PTCFWVMDQMWYMR-LURJTMIESA-N	181.626	3.711	10	10	AHCE	
CCC/C=C(/CCC)N=[N+]=[N-]	383681751	COOXWESLCAUSKP-FPLPWBNLSA-N	153.229	3.781	10	10	AHCE	
[N-]=[N+]=N[C@@]12CC[C@@H]3C[C@@H](C[C@@H](C3)C1)C2	306809341	RRLVAXXLVCTKQW-BIBSGERRSA-N	191.278	3.656	10	10	AHCE	
CCCC[C@H](C)CCN=[N+]=[N-]	1951349954	FXBQQAJRHWLRFP-QMMMGPOBSA-N	155.245	3.513	10	10	AHCE	
[N-]=[N+]=NC[C@@H]1CC[C@H]2CCCC[C@H]2C1	2210031658	FWMVDZZBBAJKJV-MXWKQRLJSA-N	193.294	3.903	10	10	AHCE	
[N-]=[N+]=NC1(/C=C\c2ccccc2)CC1	217588556	QZIXHPPIESBEST-SREVYHEPSA-N	185.230	3.543	10	10	AHCE	
[N-]=[N+]=NC1CCCC(N=[N+]=[N-])CCC1	218820497	JTOCAFJMVQGNAO-UHFFFAOYSA-N	194.242	3.698	10	10	AHCE	
CC(C)(CCN=[N+]=[N-])c1ccccc1	1535942414	ZXKRNFKLENUPMV-UHFFFAOYSA-N	189.262	3.665	10	10	AHCE	
Cc1ccc([C@H](C)N=[N+]=[N-])c(C)c1	165911956	JDGQTHOZRLZAPE-VIFPVBQESA-N	175.235	3.675	10	10	AHCE	
Cc1cccc(C2CC(N=[N+]=[N-])C2)c1	306354110	QRAPDJUSVXKDKI-UHFFFAOYSA-N	187.246	3.551	10	10	AHCE	
CCCCCC(N=[N+]=[N-])N=[N+]=[N-]	196548923	BSBREPKHVQYPTF-UHFFFAOYSA-N	168.204	3.513	10	10	AHCE	
CC1(C)[C@@H](N=[N+]=[N-])CC[C@@]1(C)N=[N+]=[N-]	238208913	MGSOLOPUUZVWCG-POYBYMJQSA-N	194.242	3.554	10	10	AHCE	
CC1=CC[C@@H](C(C)C)C[C@H]1N=[N+]=[N-]	238793945	SMPGQNCYDKMFNB-NXEZZACHSA-N	179.267	3.678	10	10	AHCE	
CCCCC[C@@](C)(N=[N+]=[N-])SC	238245182	RSZXYUKOTFYOKJ-QMMMGPOBSA-N	187.312	3.956	10	10	AHCE	
CCCCCC(C)(C)N=[N+]=[N-]	238252973	RBOOPFOQZBKMIY-UHFFFAOYSA-N	155.245	3.656	10	10	AHCE	
[N-]=[N+]=N[C@]12CCCC[C@@H]1c1ccccc12	196530977	WZUZYPIFFZQSLM-NEPJUHHUSA-N	199.257	3.863	10	10	AHCE	
Cc1ccc(C(N=[N+]=[N-])N=[N+]=[N-])cc1	196548841	VFHNCUGAMGWFGW-UHFFFAOYSA-N	188.194	3.614	10	10	AHCE	
CC[C@H]1CC[C@H](CCN=[N+]=[N-])CC1	1951349923	FQMYDKDGQCUKIA-MGCOHNPYSA-N	181.283	3.903	10	10	AHCE	
CC[C@H](N=[N+]=[N-])c1ccc(C)cc1	104459707	CNMPEBMQPVPGTH-JTQLQIEISA-N	175.235	3.756	10	10	AHCE	
CC1=CCCC[C@@H]1CCCN=[N+]=[N-]	34449432	WZSYNXUZQVDGAX-SNVBAGLBSA-N	179.267	3.823	10	10	AHCE	
CC1=CC[C@H](C(C)C)C[C@@H]1N=[N+]=[N-]	238227507	SMPGQNCYDKMFNB-UWVGGRQHSA-N	179.267	3.678	10	10	AHCE	
CC1(C)C[C@]1(N=[N+]=[N-])c1ccccc1	238253382	DOIDNXLELDFIOZ-NSHDSACASA-N	187.246	3.622	10	10	AHCE	
[N-]=[N+]=NCCC=Cc1ccc(F)cc1	2055396944	VVZVSTITLJEKDH-UHFFFAOYSA-N	191.209	3.539	10	10	AHCE	
CCN=Nc1cccc2ccccc12	308418373	RGSDMKHNVTVQMU-UHFFFAOYSA-N	184.242	3.943	10	10	AHCE	
Cc1cc(Cl)c2scc(O)c2c1	306814083	BPVAFLRVKSMBST-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
[N-]=[N+]=NC1c2cccc3cccc1c23	238587854	QIDZSCLOONFKSM-UHFFFAOYSA-N	181.198	3.553	10	10	AHCE	
CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)N=[N+]=[N-]	225276350	RCHMGLQVUWMDCR-OYNCUSHFSA-N	179.267	3.512	10	10	AHCE	
CC1(C)/C(=C/N=[N+]=[N-])[C@@H]2CC[C@H]1C2	306906286	YUQPYKLCFSQCRH-HWSTVNFDSA-N	177.251	3.637	10	10	AHCE	
[N-]=[N+]=NC[C@H](N=[N+]=[N-])C1CCCCC1	238592752	MTMICDXLCJISRE-QMMMGPOBSA-N	194.242	3.556	10	10	AHCE	
CCCC(CCC)CN=[N+]=[N-]	1535746843	UWOATRMSELZSRU-UHFFFAOYSA-N	155.245	3.513	10	10	AHCE	
CCC[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1N=[N+]=[N-]	216643024	PWNSATNYUFKINY-QEYWKRMJSA-N	179.267	3.512	10	10	AHCE	
Cc1cc(C)c([C@@H](C)N=[N+]=[N-])cc1C	165908593	YVKXHVRUQWBXRU-SNVBAGLBSA-N	189.262	3.983	10	10	AHCE	
CCC[C@@H]1CCC[C@]1(C)N=[N+]=[N-]	238268750	TUUKRIGSRGIKHZ-BDAKNGLRSA-N	167.256	3.656	10	10	AHCE	
Cc1csc(CN=[N+]=[N-])c1Cl	1951401121	CIEOVPDJJOCKKN-UHFFFAOYSA-N	187.655	3.520	10	10	AHCE	
CC(C)Cc1ccc(CN=[N+]=[N-])cc1	1535750064	PJWUIJJRSPWHHU-UHFFFAOYSA-N	189.262	3.695	10	10	AHCE	
[N-]=[N+]=N[C@H]1CCCC=C1c1ccccc1	34102204	MWQJHJXLNMXZHJ-LBPRGKRZSA-N	199.257	3.933	10	10	AHCE	
Cc1ccc(CC(C)(C)N=[N+]=[N-])cc1	306676030	VAZPEWQZSHBOBA-UHFFFAOYSA-N	189.262	3.626	10	10	AHCE	
CC(C)(C)C1(CN=[N+]=[N-])CCC1	1881201677	FURACAQSVROZRF-UHFFFAOYSA-N	167.256	3.513	10	10	AHCE	
CC1=C(CN=[N+]=[N-])C(C)(C)CCC1	32145291	BSBAKFPAJYHJNA-UHFFFAOYSA-N	179.267	3.823	10	10	AHCE	
CCC1CCC(CCN=[N+]=[N-])CC1	1536205169	FQMYDKDGQCUKIA-UHFFFAOYSA-N	181.283	3.903	10	10	AHCE	
CC(C)[C@@H]1CC[C@H](C)[C@H](N=[N+]=[N-])C1	307023421	HQHGJWDZZJWFLE-IVZWLZJFSA-N	181.283	3.758	10	10	AHCE	
CCCCC/C=C/CCN=[N+]=[N-]	383689684	UUEIDXNARHVMBS-VOTSOKGWSA-N	167.256	3.823	10	10	AHCE	
[N-]=[N+]=N[C@@]1(c2ccccc2)C[C@@H]2C[C@@H]2C1	308689128	HWCVLLYCFBYZEC-PEGIJTEDSA-N	199.257	3.622	10	10	AHCE	
N=Nc1ccc(Cl)cc1Cl	21985134	QNXHDUOBEIHJOG-UHFFFAOYSA-N	175.018	3.656	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1cccc(Cl)c1	165913785	PTCFWVMDQMWYMR-ZCFIWIBFSA-N	181.626	3.711	10	10	AHCE	
C/C(Cl)=C(\N=[N+]=[N-])c1ccccc1	307530040	MSYABDPTFUTDLM-VQHVLOKHSA-N	193.637	3.924	10	10	AHCE	
CC1(C)CCC[C@](C)(N=[N+]=[N-])C1	38949338	SJDLWMZPCWGEIY-VIFPVBQESA-N	167.256	3.656	10	10	AHCE	
[N-]=[N+]=NC[C@@H](F)CC1CCCCC1	238534097	HBEPNKCQZSNVFP-VIFPVBQESA-N	185.246	3.605	10	10	AHCE	
[N-]=[N+]=NC/C=C/C=C/c1ccccc1	308379344	VKFNVYRFPWSRSN-VDESZNBCSA-N	185.230	3.566	10	10	AHCE	
C[C@@H]1CC[C@H]2C[C@@]1(N=[N+]=[N-])C2(C)C	238804394	CKBFPRUTSWSOJN-WEDXCCLWSA-N	179.267	3.512	10	10	AHCE	
CC1(N=[N+]=[N-])C2CC3CC(C2)CC1C3	196172982	LMWNGFSWQMONAF-UHFFFAOYSA-N	191.278	3.512	10	10	AHCE	
C[C@@H]1[C@H](CN=[N+]=[N-])C[C@H]2C[C@H]1C2(C)C	307005396	FEUOJSKAVNCTDG-XFWSIPNHSA-N	193.294	3.615	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1c(F)cccc1Cl	307116610	YTZXHNDQMRMYJO-RXMQYKEDSA-N	199.616	3.850	10	10	AHCE	
C[C@@H]1[C@@H](CN=[N+]=[N-])C[C@H]2C[C@@H]1C2(C)C	142990824	FEUOJSKAVNCTDG-IMSYWVGJSA-N	193.294	3.615	10	10	AHCE	
[N-]=[N+]=NCc1ccc2sccc2c1	1881836442	CBPPAOCVIIDTCL-UHFFFAOYSA-N	189.243	3.712	10	10	AHCE	
C[C@@H](CCCc1ccccc1)N=[N+]=[N-]	143756165	LNZNTSQENWZBPD-JTQLQIEISA-N	189.262	3.708	10	10	AHCE	
C[C@H]1C[C@@]1(/C=C\c1ccccc1)N=[N+]=[N-]	212685776	ODGUAUZSLZEREN-QZQIPWEWSA-N	199.257	3.789	10	10	AHCE	
[N-]=[N+]=NCCC/C=C/c1ccccc1	394942819	YZJLFGYPIWMLSZ-WEVVVXLNSA-N	187.246	3.790	10	10	AHCE	
CC[C@@H]1CC[C@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])C1	35803512	JDUOWIROULGCQB-GJMOJQLCSA-N	194.242	3.554	10	10	AHCE	
[N-]=[N+]=N[C@H]1CCCc2ccc(F)cc21	209313591	GUFXLROOZCJCDQ-JTQLQIEISA-N	191.209	3.513	10	10	AHCE	
CCCN=NNc1ccc(Cl)cc1	1860495565	HJSUBVABTIOPFN-UHFFFAOYSA-N	197.669	3.529	10	10	AHCE	
[N-]=[N+]=NCc1ccc(F)cc1C1CC1	1888348516	SFJIQTIULINZQN-UHFFFAOYSA-N	191.209	3.513	10	10	AHCE	
[N-]=[N+]=NCCCSCCCC1CC1	2209239086	IEOLNCMJKSHYBO-UHFFFAOYSA-N	199.323	3.610	10	10	AHCE	
[N-]=[N+]=N[C@@H]1Cc2cccc3cccc1c23	238596580	KYWUGJUFLLOYLN-LLVKDONJSA-N	195.225	3.747	10	10	AHCE	
[N-]=[N+]=NC[C@@H]1C[C@H]2CCC[C@H](C2)C1	2209102400	FGVSWOPJAOKGHM-MYJAWHEDSA-N	179.267	3.513	10	10	AHCE	
CC[C@@H](N=[N+]=[N-])c1cccc(F)c1	164185816	APRQPPHVOUIUTA-SECBINFHSA-N	179.198	3.587	10	10	AHCE	
CCC[C@@H]1CCC[C@@]1(C)N=[N+]=[N-]	238268394	TUUKRIGSRGIKHZ-RKDXNWHRSA-N	167.256	3.656	10	10	AHCE	
CS[C@@]1(N=[N+]=[N-])CCCC[C@H]1C	238391407	KVDRITQYOULAFH-SFYZADRCSA-N	185.296	3.566	10	10	AHCE	
C[C@H]1C[C@H](N=[N+]=[N-])c2ccccc21	199892559	ZPUOQKRHBIKWMU-XVKPBYJWSA-N	173.219	3.545	10	10	AHCE	
Cc1ccc(N=Nc2ccc[nH]2)cc1	389048503	CVMMBRDVWXPZAK-UHFFFAOYSA-N	185.230	3.739	10	10	AHCE	
CCC[C@H](CC)[C@H](C)N=[N+]=[N-]	238223008	LXXQZWOTMMISCO-YUMQZZPRSA-N	155.245	3.512	10	10	AHCE	
CC(C)[C@@H]1CC[C@@H](C)[C@H](N=[N+]=[N-])C1	307023433	HQHGJWDZZJWFLE-OPRDCNLKSA-N	181.283	3.758	10	10	AHCE	
CCCC1CCC(CN=[N+]=[N-])CC1	1883223519	RLLJIXPLHQJYLZ-UHFFFAOYSA-N	181.283	3.903	10	10	AHCE	
Cc1cc(CCN=[N+]=[N-])ccc1Cl	1951351063	RKQWTEYMHLYRTL-UHFFFAOYSA-N	195.653	3.501	10	10	AHCE	
C[C@H]1CCC[C@@H](SCCN=[N+]=[N-])C1	54694465	ADMQPFNLAZIFKC-DTWKUNHWSA-N	199.323	3.609	10	10	AHCE	
[N-]=[N+]=N[C@@H]1C[C@@H]2CCCc3cccc1c32	238596242	MOUNGIPWANXOJP-GXSJLCMTSA-N	199.257	3.862	10	10	AHCE	
[N-]=[N+]=N/C=C\CC1CCCCC1	383689465	TYFDTBATSVJBEG-YWEYNIOJSA-N	165.240	3.781	10	10	AHCE	
CC1=C(C)[C@H]2[C@H](C)CC[C@H]1[C@H]2N=[N+]=[N-]	306818070	DTWXPDCPVXBNHT-FOBYXSAKSA-N	191.278	3.678	10	10	AHCE	
CCC[C@@H](N=[N+]=[N-])c1ccccc1	159663714	ORQWJAZGRNFLNY-SNVBAGLBSA-N	175.235	3.838	10	10	AHCE	
CC1(C)[C@H](N=[N+]=[N-])CC[C@@]1(C)N=[N+]=[N-]	238236377	MGSOLOPUUZVWCG-HTRCEHHLSA-N	194.242	3.554	10	10	AHCE	
C[C@@H]1CC[C@](C)(CN=[N+]=[N-])C1(C)C	307116961	GKTSNWXPNDHTCX-PSASIEDQSA-N	181.283	3.759	10	10	AHCE	
CC(C)C(CCN=[N+]=[N-])C(C)C	1881125559	YUGFLYKKSXJJSG-UHFFFAOYSA-N	169.272	3.615	10	10	AHCE	
CC1(CCN=[N+]=[N-])CCCCC1	1535767461	IVKPLRNGULCBIQ-UHFFFAOYSA-N	167.256	3.657	10	10	AHCE	
CC[C@H](N=[N+]=[N-])c1ccc(F)cc1	165882428	OZZNPOBEHDLDJN-VIFPVBQESA-N	179.198	3.587	10	10	AHCE	
[N-]=[N+]=NC1C[C@H]2CCC[C@@H](CC2)C1	238588413	QYQAIBCFMGQCNG-IUCAKERBSA-N	179.267	3.656	10	10	AHCE	
CC[C@H](N=[N+]=[N-])c1cccc(F)c1	164185940	APRQPPHVOUIUTA-VIFPVBQESA-N	179.198	3.587	10	10	AHCE	
[N-]=[N+]=N/C(=C/Cl)c1ccccc1	169465590	WUJHVKIAGUCFMS-SOFGYWHQSA-N	179.610	3.534	10	10	AHCE	
CC1(C)CCC[C@@H](CN=[N+]=[N-])C1	1535651236	QPPNSWOYCMIEKV-MRVPVSSYSA-N	167.256	3.513	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1ccc(Cl)c(F)c1	238459668	UFDSEGXLUDHFMQ-YFKPBYRVSA-N	199.616	3.850	10	10	AHCE	
[N-]=[N+]=NCC[C@H]1CCCCC12CC2	2241260777	NQMFNUQWZHEPEC-SECBINFHSA-N	179.267	3.657	10	10	AHCE	
Cc1ccccc1C(N=[N+]=[N-])N=[N+]=[N-]	196050801	LHUFYCWZAUIPSD-UHFFFAOYSA-N	188.194	3.614	10	10	AHCE	
C[C@]12C[C@@H]3C[C@H](C1)C[C@@](N=[N+]=[N-])(C3)C2	306644495	ZTZVVHOMAGTOJW-BIBSGERRSA-N	191.278	3.656	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1csc(Cl)c1	235193427	VJUJTHMHYZOAND-SCSAIBSYSA-N	187.655	3.773	10	10	AHCE	
CC(C)[C@H]1CC[C@H](C)[C@H](N=[N+]=[N-])C1	306732850	HQHGJWDZZJWFLE-LPEHRKFASA-N	181.283	3.758	10	10	AHCE	
CC(C)(C)S/N=N/c1cccnc1	137579942	JADHDNMYNBIKGJ-VAWYXSNFSA-N	195.291	3.612	10	10	AHCE	
[N-]=[N+]=NCCCc1ccc(Cl)cc1	1951350802	NVVQTMTUYNJVSR-UHFFFAOYSA-N	195.653	3.583	10	10	AHCE	
CC(C)(C)/N=N\C12CCC(CC1)C2	100276603	GRDXETUKNUFUBK-SEYXRHQNSA-N	180.295	3.570	10	10	AHCE	
CC[C@H](N=[N+]=[N-])c1ccsc1	306679526	IIFAZASOWSIEID-ZETCQYMHSA-N	167.237	3.510	10	10	AHCE	
CCCCC[C@H](CN=[N+]=[N-])N=[N+]=[N-]	238233013	RYTDEIOQTILQFX-SSDOTTSWSA-N	182.231	3.556	10	10	AHCE	
CC(C)(C)/N=N/C12CCC(CC1)C2	39111979	GRDXETUKNUFUBK-OUKQBFOZSA-N	180.295	3.570	10	10	AHCE	
C[C@@H]1C[C@@H](C)CC(C)(N=[N+]=[N-])C1	213886739	FJHRUQMFTRMSFC-HTQZYQBOSA-N	167.256	3.512	10	10	AHCE	
Cc1ccc(C)c([C@H](C)N=[N+]=[N-])c1	165884246	YXLRRFRXAZNMFX-VIFPVBQESA-N	175.235	3.675	10	10	AHCE	
CC(C)(F)[C@@H](N=[N+]=[N-])c1ccccc1	196345577	RVEQNUVCFAALLU-VIFPVBQESA-N	193.225	3.786	10	10	AHCE	
CC1=CC[C@H](C(C)C)C[C@H]1N=[N+]=[N-]	238227625	SMPGQNCYDKMFNB-VHSXEESVSA-N	179.267	3.678	10	10	AHCE	
[N-]=[N+]=N[C@@H]1CCC[C@H]2CCCC[C@@H]21	238596875	DENAIFLMNFNQOO-KXUCPTDWSA-N	179.267	3.656	10	10	AHCE	
c1ccc2ccc3ccccc(c1)c23	90755226	WTIGTBJFTNVUPS-UHFFFAOYSA-N	178.234	3.993	10	10	AHCE	
CC[C@@H](N=[N+]=[N-])c1ccsc1	307064661	IIFAZASOWSIEID-SSDOTTSWSA-N	167.237	3.510	10	10	AHCE	
CC1(C)[C@H]2CC[C@H](CCN=[N+]=[N-])[C@@H]1C2	1535836073	RFIPNWOJADDCJY-UTLUCORTSA-N	193.294	3.759	10	10	AHCE	
CCc1ccc([C@@H](C)N=[N+]=[N-])cc1	165892007	ZATXCTHGEAJFEF-MRVPVSSYSA-N	175.235	3.620	10	10	AHCE	
[N-]=[N+]=NCC1CCC2(CCC2)CC1	238589546	WPELDUYXMGBWLS-UHFFFAOYSA-N	179.267	3.657	10	10	AHCE	
C[C@@H]1C[C@]1(/C=C/c1ccccc1)N=[N+]=[N-]	238466575	ODGUAUZSLZEREN-XEEGDWHKSA-N	199.257	3.789	10	10	AHCE	
[N-]=[N+]=NC[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	2210031659	FWMVDZZBBAJKJV-OUAUKWLOSA-N	193.294	3.903	10	10	AHCE	
[N-]=[N+]=N[C@]12CCCC[C@H]1c1ccccc12	196530985	WZUZYPIFFZQSLM-RYUDHWBXSA-N	199.257	3.863	10	10	AHCE	
[N-]=[N+]=NCCC/C=C\c1ccccc1	308384072	YZJLFGYPIWMLSZ-UITAMQMPSA-N	187.246	3.790	10	10	AHCE	
[N-]=[N+]=NC[C@H]1C[C@@H]1C1CCCCC1	1883906987	YQVXJHJPJBECGQ-NXEZZACHSA-N	179.267	3.513	10	10	AHCE	
CC(C)(C)c1cccc(CN=[N+]=[N-])c1	217022094	FIWPPRVHZRVAAU-UHFFFAOYSA-N	189.262	3.794	10	10	AHCE	
CC(C)(C)S/N=N\c1cccnc1	39116795	JADHDNMYNBIKGJ-QXMHVHEDSA-N	195.291	3.612	10	10	AHCE	
CC(C)(N=[N+]=[N-])C1=CCc2ccccc21	238161054	OVIPATMFSARQLG-UHFFFAOYSA-N	199.257	3.715	10	10	AHCE	
CCN=NNc1ccccc1C(C)C	1860494401	FCAQEWMDTATPOH-UHFFFAOYSA-N	191.278	3.609	10	10	AHCE	
[N-]=[N+]=NCCC1CCC(F)(F)CC1	1536104525	MMIPXBNVJUNXPS-UHFFFAOYSA-N	189.209	3.512	10	10	AHCE	
[N-]=[N+]=NC[C@@H](N=[N+]=[N-])C1CCCCC1	238591925	MTMICDXLCJISRE-MRVPVSSYSA-N	194.242	3.556	10	10	AHCE	
Cc1ccc(S[C@H](C)N=[N+]=[N-])cc1	196696316	ONISDOJQCTWLEV-MRVPVSSYSA-N	193.275	3.743	10	10	AHCE	
Cc1ccc(C)c(CCCN=[N+]=[N-])c1	1951350200	ICGWBAYGCQYULE-UHFFFAOYSA-N	189.262	3.546	10	10	AHCE	
Cc1ccc2c(c1)[C@@H](N=[N+]=[N-])[C@@H](C)C2	238482907	SHKJBQSFAFSBMH-KWQFWETISA-N	187.246	3.539	10	10	AHCE	
CCC[C@H]1CC[C@H](CN=[N+]=[N-])CC1	1883223518	RLLJIXPLHQJYLZ-MGCOHNPYSA-N	181.283	3.903	10	10	AHCE	
CC1(C)CCC[C@@H](CCN=[N+]=[N-])C1	1535669171	HTKGFSWNLGBSNA-VIFPVBQESA-N	181.283	3.903	10	10	AHCE	
CCn1c(C)ccc1-c1cccs1	41205560	BCCFKQLGROQWFO-UHFFFAOYSA-N	191.299	3.545	10	10	AHCE	
Cc1cc(C(=S)CC(C)C)c(C)o1	142090728	HNELIVFYIXNZTL-UHFFFAOYSA-N	196.315	3.661	10	10	AHCE	
C[C@H]1C[C@H]1CCCCCN=[N+]=[N-]	2241647940	KGUMAPDRRMSXLN-DTWKUNHWSA-N	167.256	3.513	10	10	AHCE	
[N-]=[N+]=NC[C@H]1C[C@@H]1C1CCCCCC1	1898643254	QCLVFQCFGZWLSE-GHMZBOCLSA-N	193.294	3.903	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1ccc2ncccc2c1	200197497	GQQCNQVMWAIDOU-QMMMGPOBSA-N	198.229	3.606	10	10	AHCE	
CC(C)C1CCC(CN=[N+]=[N-])CC1	1535380001	NKFPRBDXPVOGLS-UHFFFAOYSA-N	181.283	3.759	10	10	AHCE	
CC(C)CCC(=S)c1ccccc1	231515513	BZUJJDBFILFSAK-UHFFFAOYSA-N	192.327	3.841	10	10	AHCE	
Cc1ccc(Cl)c2c(O)csc12	306579624	NFLHPBPHVACPOO-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
Cc1sc2c(Cl)cccc2c1O	307431162	LBOSWCXUUYRIBK-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
CCC/C=C/[C@@H](CCC)N=[N+]=[N-]	307911232	GJLRMRNHUZKKJT-BNICOGTQSA-N	167.256	3.822	10	10	AHCE	
Cc1c(F)ccc(CN=[N+]=[N-])c1Cl	1888362943	MJPQYXSRZJCDBU-UHFFFAOYSA-N	199.616	3.598	10	10	AHCE	
[N-]=[N+]=NC1(c2ccccc2)CCCC1	196244789	QMDNYFHSGWTTIN-UHFFFAOYSA-N	187.246	3.766	10	10	AHCE	
Cc1ccc(S[C@@H](C)N=[N+]=[N-])cc1	196696305	ONISDOJQCTWLEV-QMMMGPOBSA-N	193.275	3.743	10	10	AHCE	
CCCCC1=C(CN=[N+]=[N-])CCC1	59672583	WAQLUMYFCZLNOH-UHFFFAOYSA-N	179.267	3.967	10	10	AHCE	
CC[C@H](N=[N+]=[N-])c1cccc(C)c1	307474282	WRJQSBWLDJLVEK-JTQLQIEISA-N	175.235	3.756	10	10	AHCE	
[N-]=[N+]=NCCc1ccc2ccccc2c1	169312803	VHEIERZPNHQWLF-UHFFFAOYSA-N	197.241	3.693	10	10	AHCE	
CS[C@@H]1CC/C=C/CC[C@@H]1N=[N+]=[N-]	238387215	UPRDJGHPYDBTBT-AHQHDXANSA-N	197.307	3.527	10	10	AHCE	
[N-]=[N+]=N/C(=C/C1CC1)c1ccccc1	306389895	SPCVJEIXNLIQDG-DHZHZOJOSA-N	185.230	3.748	10	10	AHCE	
CC(=Cc1ccccc1)CCN=[N+]=[N-]	2055974625	TVWCTGVXTKTUEP-UHFFFAOYSA-N	187.246	3.790	10	10	AHCE	
CC(C)(C)[C@]1(N=[N+]=[N-])C=CCCC1	238165706	HWTDUIRHZJUQQP-JTQLQIEISA-N	179.267	3.822	10	10	AHCE	
[N-]=[N+]=NCC[C@H]1CCCCC1(F)F	642885999	KAYRDSBHDRKLDO-SSDOTTSWSA-N	189.209	3.512	10	10	AHCE	
CCCN=NNc1cccc(Cl)c1	1860495384	XVGODRQDYXCKSX-UHFFFAOYSA-N	197.669	3.529	10	10	AHCE	
CCCCCC[C@H](CN=[N+]=[N-])N=[N+]=[N-]	34414957	MOIBGBIQISMUEI-MRVPVSSYSA-N	196.258	3.946	10	10	AHCE	
CC[C@@H](/C=C\c1ccccc1)N=[N+]=[N-]	214071486	TXTGOQSQTPGCOB-IQQGHNRFSA-N	187.246	3.789	10	10	AHCE	
CC1=CC[C@@H](C(C)(C)N=[N+]=[N-])CC1	196325407	JOUXLUCWAFOYDK-SECBINFHSA-N	179.267	3.822	10	10	AHCE	
CCn1c(C)ccc1-c1ccc(C)cc1	41209926	YFVUFCMXZZFDGS-UHFFFAOYSA-N	199.297	3.792	10	10	AHCE	
Cc1ccc(/C(=C/Cl)N=[N+]=[N-])cc1	306560495	BDYZFYLFGKMRHV-TWGQIWQCSA-N	193.637	3.843	10	10	AHCE	
[N-]=[N+]=NC=C1C2CC3CC(C2)CC1C3	104531506	RCDOWVZFVPVZMV-UHFFFAOYSA-N	189.262	3.637	10	10	AHCE	
CCc1ccc([C@H](C)N=[N+]=[N-])cc1	165900210	ZATXCTHGEAJFEF-QMMMGPOBSA-N	175.235	3.620	10	10	AHCE	
[N-]=[N+]=N[C@]1(c2ccccc2)CC[C@H]2C[C@@H]21	238535656	UQSZKVGDQMNJBR-DLOVCJGASA-N	199.257	3.622	10	10	AHCE	
CC1(CSCCCCN=[N+]=[N-])CC1	2241458305	VPMHUWLHYZTKIT-UHFFFAOYSA-N	199.323	3.610	10	10	AHCE	
C[Si](C)(C)C/C=C/CCN=[N+]=[N-]	196057682	AGPHOQDPYJQTPK-GQCTYLIASA-N	183.331	3.581	10	10	AHCE	
Cc1cc(F)c([C@H](C)N=[N+]=[N-])cc1F	165906996	KULWDHXXUBPZHD-LURJTMIESA-N	197.188	3.645	10	10	AHCE	
CC(C)CCN=NNc1ccccc1	1860494976	NXSIRXZREWHWGP-UHFFFAOYSA-N	191.278	3.512	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1ccc(Cl)s1	165900714	CMIDJOKXWOUNFL-BYPYZUCNSA-N	187.655	3.773	10	10	AHCE	
CC[C@@H]1CCC[C@](C)(N=[N+]=[N-])C1	38973217	KQRMBBPRZLRCIF-BDAKNGLRSA-N	167.256	3.656	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1cccc2cnccc12	1536221887	QGLGXASWRQEMAN-QMMMGPOBSA-N	198.229	3.606	10	10	AHCE	
[N-]=[N+]=NCCCSCC1=CCCC1	2242583436	BHZPVRMDQLUHLS-UHFFFAOYSA-N	197.307	3.530	10	10	AHCE	
CC1=CCCC[C@H]1CCCN=[N+]=[N-]	34449434	WZSYNXUZQVDGAX-JTQLQIEISA-N	179.267	3.823	10	10	AHCE	
CC1(C)[C@H]2CC[C@@](C)(N=[N+]=[N-])[C@H]1C2	137219622	JPNVUVKIHCDUPS-OYNCUSHFSA-N	179.267	3.512	10	10	AHCE	
CC1(C)[C@H]2CC[C@](C)(N=[N+]=[N-])[C@H]1C2	137219665	JPNVUVKIHCDUPS-NRPADANISA-N	179.267	3.512	10	10	AHCE	
CC1(C)[C@H]2CC/C(=C/N=[N+]=[N-])[C@@H]1C2	687750154	IQSPGJBWRYFPJI-YYRDVDDBSA-N	177.251	3.637	10	10	AHCE	
CC(C)[C@@H]1C[C@H](C)CC[C@H]1N=[N+]=[N-]	306195274	IKDRSIBFHLACIO-KXUCPTDWSA-N	181.283	3.758	10	10	AHCE	
CS[C@](C)(N=[N+]=[N-])C1CCCCC1	238398127	UCUASBKLYMLYHK-VIFPVBQESA-N	199.323	3.956	10	10	AHCE	
Cc1ccccc1C(C)(C)N=[N+]=[N-]	306797370	YADQGHZJDJAHCP-UHFFFAOYSA-N	175.235	3.540	10	10	AHCE	
[N-]=[N+]=N[C@H]1CCCCCC[C@H]1N=[N+]=[N-]	34069396	UFUYDIZMQKZPSO-OCAPTIKFSA-N	194.242	3.698	10	10	AHCE	
CC[C@H](/C=C\c1ccccc1)N=[N+]=[N-]	214071542	TXTGOQSQTPGCOB-TYBABMIJSA-N	187.246	3.789	10	10	AHCE	
[N-]=[N+]=N[C@]1(c2ccccc2)CC[C@@H]2C[C@@H]21	238535638	UQSZKVGDQMNJBR-USWWRNFRSA-N	199.257	3.622	10	10	AHCE	
[N-]=[N+]=N[C@H](c1cccc(F)c1)C1CC1	201405795	PFUHQGFWYPKOBH-JTQLQIEISA-N	191.209	3.587	10	10	AHCE	
CCC1=C(C)[C@H]2CCC[C@H]1[C@@H]2N=[N+]=[N-]	238237038	UJKGNXQBVSMYED-GMTAPVOTSA-N	191.278	3.822	10	10	AHCE	
C[C@@H](N=[N+]=[N-])[C@H](F)c1ccc(F)cc1	238409939	ASAVPWPJSBVFLA-MUWHJKNJSA-N	197.188	3.535	10	10	AHCE	
CC(C)c1cccc(CN=[N+]=[N-])c1	1535716692	JOQGXUKCSIZCQB-UHFFFAOYSA-N	175.235	3.620	10	10	AHCE	
CC(C)CCCCc1ccc(N)cc1	1929716886	PYCAZKQWNBTZIX-UHFFFAOYSA-N	191.318	3.638	10	10	AHCE	
CCC(CC)[C@@H](CC)N=[N+]=[N-]	238184612	MOLMBBIGIGELCM-MRVPVSSYSA-N	155.245	3.512	10	10	AHCE	
[N-]=[N+]=NCC1=CCCCc2ccccc21	238589256	QBTTVSPZXZGJOK-UHFFFAOYSA-N	199.257	3.717	10	10	AHCE	
ClN=Nc1nc2ccccc2s1	256005167	UTCGFSIEHALGIH-UHFFFAOYSA-N	197.650	3.534	10	10	AHCE	
C[C@@]1(CN=[N+]=[N-])CCCCC1(F)F	1772801385	JPDRVXICHIPWTM-ZETCQYMHSA-N	189.209	3.512	10	10	AHCE	
Cc1ccc(CCN=[N+]=[N-])c(Cl)c1	1536198813	QOFANUJCPCIUET-UHFFFAOYSA-N	195.653	3.501	10	10	AHCE	
C[C@@H](CCN=[N+]=[N-])c1ccc(F)cc1	1535756229	GDPXQEFSTJWFFI-QMMMGPOBSA-N	193.225	3.630	10	10	AHCE	
C=C/C(=C\C[Si](C)(C)C)CN=[N+]=[N-]	308048524	DWEFAHHERIMGNX-RMKNXTFCSA-N	195.342	3.747	10	10	AHCE	
CSc1ccc([C@@H](C)N=[N+]=[N-])cc1	165893078	YMHWVLBMIVFOBD-SSDOTTSWSA-N	193.275	3.780	10	10	AHCE	
C=C(N=[N+]=[N-])c1ccc(Cl)cc1	222297283	LJTALEKIGBOZQF-UHFFFAOYSA-N	179.610	3.621	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1cccc2cnccc12	1536221886	QGLGXASWRQEMAN-MRVPVSSYSA-N	198.229	3.606	10	10	AHCE	
[N-]=[N+]=NCc1csc2ccccc12	84718433	DPBJHWQBEWBRIC-UHFFFAOYSA-N	189.243	3.712	10	10	AHCE	in-vitro
C[Si](C)(C)C/C=C\CCCN=[N+]=[N-]	383696358	CJVPWIIJSMVDQS-ALCCZGGFSA-N	197.358	3.971	10	10	AHCE	
CCCCC1(N=[N+]=[N-])CCCC1	238238182	HIWIJVRYOOQRLM-UHFFFAOYSA-N	167.256	3.800	10	10	AHCE	
CC(C)(C)CC1CC(CN=[N+]=[N-])C1	2242234160	HUVLXJYMZSKVNK-UHFFFAOYSA-N	181.283	3.759	10	10	AHCE	
CC(C)(/C=C\c1ccccc1)N=[N+]=[N-]	383683952	ISIKVGHHCLBXOP-HJWRWDBZSA-N	187.246	3.789	10	10	AHCE	
CCc1ccc([C@H](C)N=[N+]=[N-])s1	165893207	JOYBOAJZDXYAPH-LURJTMIESA-N	181.264	3.682	10	10	AHCE	
C=C/C(=C\CCCN=[N+]=[N-])SC	395036108	ZVFIXLUEILBGNS-SOFGYWHQSA-N	183.280	3.510	10	10	AHCE	
Cc1cccc(Cl)c1CCN=[N+]=[N-]	1536158659	ZBYNALYIUNXNDF-UHFFFAOYSA-N	195.653	3.501	10	10	AHCE	
CC[C@H](CCN=[N+]=[N-])c1ccccc1	1951349729	DJSHNTIYFHLHIQ-SNVBAGLBSA-N	189.262	3.881	10	10	AHCE	
C[Si](C)(C)/N=N/c1ccccc1	195755270	YIJCWHMUQPKHEP-ZHACJKMWSA-N	178.311	3.605	10	10	AHCE	
CC[C@H](/C=C/c1ccccc1)N=[N+]=[N-]	199119523	TXTGOQSQTPGCOB-ANYFNZRUSA-N	187.246	3.789	10	10	AHCE	
[N-]=[N+]=N[C@H]1C[C@H]2CCCc3cccc1c32	238533776	MOUNGIPWANXOJP-KOLCDFICSA-N	199.257	3.862	10	10	AHCE	
CC[C@H](N=[N+]=[N-])c1ccc(F)c(F)c1	201272115	YNLXIXFSHKSTHJ-VIFPVBQESA-N	197.188	3.726	10	10	AHCE	
CC(C)(C)C1=CCC[C@@H](N=[N+]=[N-])C1	238137595	FQVZDZUJBQXYCI-SECBINFHSA-N	179.267	3.822	10	10	AHCE	
C/C=C\[C@@H](N=[N+]=[N-])c1ccccc1	383683229	HSXHGVWKXMBPIH-LGIFSFGNSA-N	173.219	3.614	10	10	AHCE	
Cc1cc(C)c([C@H](C)N=[N+]=[N-])cc1C	165914870	YVKXHVRUQWBXRU-JTQLQIEISA-N	189.262	3.983	10	10	AHCE	
CCC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1N=[N+]=[N-]	216643066	PWNSATNYUFKINY-XKNYDFJKSA-N	179.267	3.512	10	10	AHCE	
CCC[C@H]1CCC[C@@]1(C)N=[N+]=[N-]	238274373	TUUKRIGSRGIKHZ-DTWKUNHWSA-N	167.256	3.656	10	10	AHCE	
[N-]=[N+]=N[C@H]1C[C@@H]2CCCc3cccc1c32	238600274	MOUNGIPWANXOJP-ONGXEEELSA-N	199.257	3.862	10	10	AHCE	
CC/C(=C/CN=[N+]=[N-])c1ccccc1	308365892	LFJWUURFAFMWOF-NTMALXAHSA-N	187.246	3.790	10	10	AHCE	
CCN=NNc1cccc2ccccc12	1860493042	URQGQJIZIAPDAT-UHFFFAOYSA-N	199.257	3.639	10	10	AHCE	
[N-]=[N+]=N/C(=C\Cl)c1ccccc1	169465582	WUJHVKIAGUCFMS-VURMDHGXSA-N	179.610	3.534	10	10	AHCE	
[N-]=[N+]=N[C@]1(c2ccccc2)CC[C@H]2C[C@H]21	38434992	UQSZKVGDQMNJBR-WCQGTBRESA-N	199.257	3.622	10	10	AHCE	
[N-]=[N+]=N[C@@H]1C=C(c2ccccc2)CCC1	34294963	YRFAAZMZTOUEFA-LBPRGKRZSA-N	199.257	3.933	10	10	AHCE	
CCCCN=NNc1cccc(C)c1	1860491712	RKYDMFYKBCBZDH-UHFFFAOYSA-N	191.278	3.574	10	10	AHCE	
[N-]=[N+]=NCCCCSCC1CCC1	2209372182	ZXIJAYPIJCYILJ-UHFFFAOYSA-N	199.323	3.610	10	10	AHCE	
CC[C@@H](C)N=NNc1ccc(C)cc1	1860493706	ZIDDZOAHOGQPLX-SNVBAGLBSA-N	191.278	3.573	10	10	AHCE	
CS[C@@H]1CCC=CCC[C@@H]1N=[N+]=[N-]	238387380	UPRDJGHPYDBTBT-DTWKUNHWSA-N	197.307	3.527	10	10	AHCE	
CC(C)/N=N/C1(N=[N+]=[N-])CCCCC1	167341469	FWRTUCFTQOGYKR-VAWYXSNFSA-N	195.270	3.818	10	10	AHCE	
CCC[C@@H](N=[N+]=[N-])[C@@H](CC)CN=[N+]=[N-]	143874320	CZLOSRGCDDSCMG-JGVFFNPUSA-N	196.258	3.802	10	10	AHCE	
Cc1sc2ccc(Cl)cc2c1O	225982892	FLTAFLNXYAWINF-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
Cc1cc2c(O)csc2cc1Cl	307574286	HEQVYMSPBYONRM-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
CC[C@@H](N=[N+]=[N-])c1cccs1	165908964	UYBKRJUWKSTXLS-ZCFIWIBFSA-N	167.237	3.510	10	10	AHCE	
Cc1ccc2c(c1)[C@@H](N=[N+]=[N-])[C@H](C)C2	238406069	SHKJBQSFAFSBMH-KCJUWKMLSA-N	187.246	3.539	10	10	AHCE	
Nc1cccc(N=Nc2ccccc2)c1	382566706	FOTUJFGXQAJEIJ-UHFFFAOYSA-N	197.241	3.684	10	10	AHCE	
CC[C@H](C)N=NNc1ccccc1C	1860491552	NPSSXYCEOSBIHR-JTQLQIEISA-N	191.278	3.573	10	10	AHCE	
CC(C)N=NNc1ccccc1Cl	1860489451	NQKWKMUNTVZNIJ-UHFFFAOYSA-N	197.669	3.528	10	10	AHCE	
C[C@@]1(N=[N+]=[N-])CCCc2ccccc21	238494456	XYPYNLLJXSPINN-LLVKDONJSA-N	187.246	3.548	10	10	AHCE	
CCC(C)(C)CCc1ccc(N)cc1	1929710697	KFNFMTFAKVWMOZ-UHFFFAOYSA-N	191.318	3.638	10	10	AHCE	
[N-]=[N+]=NCCCc1ccccc1Cl	1951350205	IDZPKEYDMHDUOU-UHFFFAOYSA-N	195.653	3.583	10	10	AHCE	
CC[C@@H](C)SCCCCN=[N+]=[N-]	1912147188	HGRKKBHTABNMTJ-MRVPVSSYSA-N	187.312	3.609	10	10	AHCE	
CC1=CCC(=C(C)C)C[C@H]1N=[N+]=[N-]	238119844	RCHXBPOCLNMSOL-SNVBAGLBSA-N	177.251	3.742	10	10	AHCE	
CCC[C@@H](CC)[C@H](C)N=[N+]=[N-]	238795176	LXXQZWOTMMISCO-JGVFFNPUSA-N	155.245	3.512	10	10	AHCE	
CC(C)(C)N=NC12CCC(CC1)C2	382632706	GRDXETUKNUFUBK-UHFFFAOYSA-N	180.295	3.570	10	10	AHCE	
Cc1cc([C@H](C)N=[N+]=[N-])c(C)s1	34257206	QAIATKBXVYAWML-LURJTMIESA-N	181.264	3.736	10	10	AHCE	
CC[C@@H]1CC[C@@H](N=[N+]=[N-])[C@@H](N=[N+]=[N-])C1	238264772	JDUOWIROULGCQB-PRJMDXOYSA-N	194.242	3.554	10	10	AHCE	
[N-]=[N+]=NCc1ccc(C2CCC2)cc1	2210065634	POLNGLBKYKVAJD-UHFFFAOYSA-N	187.246	3.764	10	10	AHCE	
Cc1ccc(CCN=[N+]=[N-])cc1Cl	1951349671	CJTXGBNKQUFMLB-UHFFFAOYSA-N	195.653	3.501	10	10	AHCE	
CC[C@H]1CCC[C@](C)(N=[N+]=[N-])C1	215089854	KQRMBBPRZLRCIF-IUCAKERBSA-N	167.256	3.656	10	10	AHCE	
CC1(C)CCCCC(C)(C)C1=S	196612750	OCQJJSNQLKOOGP-UHFFFAOYSA-N	184.348	3.983	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1c(F)cccc1Cl	307289583	YTZXHNDQMRMYJO-YFKPBYRVSA-N	199.616	3.850	10	10	AHCE	
CC(C)(C)SN=Nc1cccnc1	255980201	JADHDNMYNBIKGJ-UHFFFAOYSA-N	195.291	3.612	10	10	AHCE	
CCCC[C@@H](C)CCN=[N+]=[N-]	1951349949	FXBQQAJRHWLRFP-MRVPVSSYSA-N	155.245	3.513	10	10	AHCE	
Cc1ccc2c(O)c(Cl)sc2c1	306930403	BWHOWFOHNKYUPX-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
CC1(C)CC[C@@H](CCN=[N+]=[N-])C1	1535845127	DARSTOKHQDZATJ-QMMMGPOBSA-N	167.256	3.513	10	10	AHCE	
C[C@@H]1CC[C@@H](N=[N+]=[N-])c2ccccc21	165881019	MKQSQALMKUQLCF-LDYMZIIASA-N	187.246	3.935	10	10	AHCE	
Cc1sc2cccc(Cl)c2c1O	306559459	AKBXSJOBPOTUMO-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
CC[C@@](C)(Cc1ccccc1)N=[N+]=[N-]	238291685	GMWOEFZDHRMQER-NSHDSACASA-N	189.262	3.708	10	10	AHCE	
CC1=C(C)[C@@]2(C)CCC[C@H]1[C@H]2N=[N+]=[N-]	306383232	VAZZBTVTHNYCNU-GMTAPVOTSA-N	191.278	3.822	10	10	AHCE	
CC1(C)CCC[C@H](CN=[N+]=[N-])C1	1535651238	QPPNSWOYCMIEKV-QMMMGPOBSA-N	167.256	3.513	10	10	AHCE	
Cc1c(F)ccc([C@@H](C)N=[N+]=[N-])c1C	1889546576	UEQUOXUWNGKDNP-MRVPVSSYSA-N	193.225	3.814	10	10	AHCE	
Cc1cc2scc(O)c2cc1Cl	306976196	DKADJQFOPVCHCU-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
Cc1ccc([C@@H](C)N=[N+]=[N-])c(C)c1	165889475	JDGQTHOZRLZAPE-SECBINFHSA-N	175.235	3.675	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1ccc(Cl)c(F)c1	238410441	UFDSEGXLUDHFMQ-RXMQYKEDSA-N	199.616	3.850	10	10	AHCE	
[N-]=[N+]=N[C@@H](c1ccccc1)c1ccco1	39169066	UZPSXVVHWYOEBY-NSHDSACASA-N	199.213	3.679	10	10	AHCE	
[N-]=[N+]=NCCc1cccc2ccccc12	90366977	OLJHNVWVUOMRDZ-UHFFFAOYSA-N	197.241	3.693	10	10	AHCE	
CC[C@H](N=[N+]=[N-])c1ccccc1F	165886367	DHXBKHGWRSBFDQ-VIFPVBQESA-N	179.198	3.587	10	10	AHCE	in-vitro
Cc1ccc([C@@H](C)N=[N+]=[N-])cc1C	165914279	LHUCXXBZSUAZFW-SECBINFHSA-N	175.235	3.675	10	10	AHCE	
C[Si](C)(C)C/C=C\CCN=[N+]=[N-]	195847186	AGPHOQDPYJQTPK-XQRVVYSFSA-N	183.331	3.581	10	10	AHCE	
[N-]=[N+]=NCC/C=C\c1ccc(F)cc1	219689489	VVZVSTITLJEKDH-IWQZZHSRSA-N	191.209	3.539	10	10	AHCE	
Cc1ccc(Cl)c2scc(O)c12	306869657	SJALQPFAGYVYBM-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
Cc1ccc(-c2ccccc2)n1C1CC1	41209120	VTDJJPRPNHVKAL-UHFFFAOYSA-N	197.281	3.798	10	10	AHCE	
Cl/N=N\c1nc2ccccc2s1	45236087	UTCGFSIEHALGIH-KHPPLWFESA-N	197.650	3.534	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1ccc(F)cc1Cl	165916089	KTRPSVGWBXRKTF-YFKPBYRVSA-N	199.616	3.850	10	10	AHCE	in-vitro
C[C@H]1CC[C@](C)(CN=[N+]=[N-])C1(C)C	307116963	GKTSNWXPNDHTCX-WCBMZHEXSA-N	181.283	3.759	10	10	AHCE	
Cc1ccc2c(c1)[C@H](N=[N+]=[N-])[C@@H](C)C2	238482841	SHKJBQSFAFSBMH-GZMMTYOYSA-N	187.246	3.539	10	10	AHCE	
Cc1ccc(/N=N/c2ccc[nH]2)cc1	238553967	CVMMBRDVWXPZAK-BUHFOSPRSA-N	185.230	3.739	10	10	AHCE	
[N-]=[N+]=NCCC1CCCCCC1	1535729208	UPGCAPFXAMIKEK-UHFFFAOYSA-N	167.256	3.657	10	10	AHCE	
CC1(C)[C@H]2CC[C@@H](CCN=[N+]=[N-])[C@@H]1C2	1535836071	RFIPNWOJADDCJY-GUBZILKMSA-N	193.294	3.759	10	10	AHCE	
Cc1ccc2scc(O)c2c1Cl	306837374	VGUGDFRMPUZDBV-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
CC1(C)[C@H]2CC[C@@H](CCN=[N+]=[N-])[C@H]1C2	1535838768	RFIPNWOJADDCJY-LPEHRKFASA-N	193.294	3.759	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1ccnc2ccccc12	38996696	YNCYOXCUJKIPJD-MRVPVSSYSA-N	198.229	3.606	10	10	AHCE	
CCCCCCc1cscc1O	238232768	LCPFQVUGGXPCJC-UHFFFAOYSA-N	184.304	3.577	10	10	AHCE	
CS[C@@H]1CC/C=C/CC[C@H]1N=[N+]=[N-]	306310971	UPRDJGHPYDBTBT-KHVQUVQLSA-N	197.307	3.527	10	10	AHCE	
C[C@@H](CCN=[N+]=[N-])CC(C)(C)C	1951349992	GDJRAFCRRHYKAT-QMMMGPOBSA-N	169.272	3.759	10	10	AHCE	
CC(C)[C@H]1C[C@H](C)CC[C@@H]1N=[N+]=[N-]	238170056	IKDRSIBFHLACIO-BBBLOLIVSA-N	181.283	3.758	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1csc(Cl)c1	235511653	VJUJTHMHYZOAND-BYPYZUCNSA-N	187.655	3.773	10	10	AHCE	
CC(C)(C)[C@H]1CC[C@@H](N=[N+]=[N-])CC1	307268360	KGWVOMSPCIUBES-DTORHVGOSA-N	181.283	3.902	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1cc2ccccc2o1	165893321	JHTDFSKKTBXGEO-ZETCQYMHSA-N	187.202	3.804	10	10	AHCE	
CC[C@@H](N=[N+]=[N-])c1ccc(F)cc1	165894609	OZZNPOBEHDLDJN-SECBINFHSA-N	179.198	3.587	10	10	AHCE	
[N-]=[N+]=N[C@@H]1CCCc2ccc(F)cc21	203124479	GUFXLROOZCJCDQ-SNVBAGLBSA-N	191.209	3.513	10	10	AHCE	
Cc1ccc(/N=N\c2ccccc2)nc1	35569813	ZCYIBFHOBFDPFR-PFONDFGASA-N	197.241	3.805	10	10	AHCE	
C[C@H]1CC[C@@](C)(CN=[N+]=[N-])C1(C)C	307116964	GKTSNWXPNDHTCX-WPRPVWTQSA-N	181.283	3.759	10	10	AHCE	
[N-]=[N+]=NC1SC2=C(CCCC2)S1	238588492	AHAAXCLWESTTFD-UHFFFAOYSA-N	199.304	3.846	10	10	AHCE	
[N-]=[N+]=NCC1C[C@H]2CCC[C@H](C1)C2	2209102399	FGVSWOPJAOKGHM-IUCAKERBSA-N	179.267	3.513	10	10	AHCE	
C=C(N=[N+]=[N-])c1cc2ccccc2o1	238006144	XNRXWKDAGCZKLV-UHFFFAOYSA-N	185.186	3.714	10	10	AHCE	
C[C@H]1C[C@@H](N=[N+]=[N-])c2ccccc21	199892619	ZPUOQKRHBIKWMU-OIBJUYFYSA-N	173.219	3.545	10	10	AHCE	
[N-]=[N+]=NCC[C@@H]1CCCCC12CC2	2241260778	NQMFNUQWZHEPEC-VIFPVBQESA-N	179.267	3.657	10	10	AHCE	
C[C@H](N=[N+]=[N-])[C@H](F)c1ccc(F)cc1	238459300	ASAVPWPJSBVFLA-RCOVLWMOSA-N	197.188	3.535	10	10	AHCE	
C[C@]1(N=[N+]=[N-])CCCc2ccccc21	238459331	XYPYNLLJXSPINN-NSHDSACASA-N	187.246	3.548	10	10	AHCE	
C[C@@H]1CCC[C@@H](CCN=[N+]=[N-])C1	2241285794	FYXMCHLYHVJMGQ-BDAKNGLRSA-N	167.256	3.513	10	10	AHCE	
[N-]=[N+]=N/C(=C\C1CC1)c1ccccc1	383705423	SPCVJEIXNLIQDG-FLIBITNWSA-N	185.230	3.748	10	10	AHCE	
CCC1CCC(CN=[N+]=[N-])CC1	1535835554	MGTIITCPRNUDJE-UHFFFAOYSA-N	167.256	3.513	10	10	AHCE	
CS[C@@]1(N=[N+]=[N-])CCCC[C@@H]1C	238391396	KVDRITQYOULAFH-YUMQZZPRSA-N	185.296	3.566	10	10	AHCE	
[N-]=[N+]=NC1=CCCCc2ccccc21	196683708	OWEADJPTSURPRE-UHFFFAOYSA-N	185.230	3.674	10	10	AHCE	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1N=[N+]=[N-]	83260337	JWXCHQXAHQOURC-BBBLOLIVSA-N	181.283	3.758	10	10	AHCE	
CC(C)(CCc1ccccc1)N=[N+]=[N-]	141803497	RHSLCTUYAAWHJI-UHFFFAOYSA-N	189.262	3.708	10	10	AHCE	
CC[C@@H](/C=C/c1ccccc1)N=[N+]=[N-]	199119499	TXTGOQSQTPGCOB-FBOQAHMBSA-N	187.246	3.789	10	10	AHCE	
C[C@@H](/C=C\C=C\c1ccccc1)N=[N+]=[N-]	308697741	UKMOLCIHBCTPAJ-WNRZEKGYSA-N	199.257	3.955	10	10	AHCE	
[N-]=[N+]=NC/C=C/Sc1ccccc1	383682699	GBNMCEPFOFCSBW-XBXARRHUSA-N	191.259	3.603	10	10	AHCE	
Cc1ccc(/C=C\[C@H](C)N=[N+]=[N-])cc1	395064172	VZKVUORMHKWFSR-NVDWLVSRSA-N	187.246	3.707	10	10	AHCE	
CC(C)(C)SCCCCN=[N+]=[N-]	1912147127	WNSYJEJJSJYJSA-UHFFFAOYSA-N	187.312	3.609	10	10	AHCE	
C[C@H](CCCc1ccccc1)N=[N+]=[N-]	143756353	LNZNTSQENWZBPD-SNVBAGLBSA-N	189.262	3.708	10	10	AHCE	
CCC[C@@H](CC)[C@@H](C)N=[N+]=[N-]	238795164	LXXQZWOTMMISCO-HTQZYQBOSA-N	155.245	3.512	10	10	AHCE	
Cc1ccc2c(c1)[C@H](N=[N+]=[N-])[C@H](C)C2	238406046	SHKJBQSFAFSBMH-LDYMZIIASA-N	187.246	3.539	10	10	AHCE	
Cc1ccc(NN=NC(C)(C)C)cc1	1860493479	OQBUETQFICXMGM-UHFFFAOYSA-N	191.278	3.573	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1ccc(F)cc1Cl	165901603	KTRPSVGWBXRKTF-RXMQYKEDSA-N	199.616	3.850	10	10	AHCE	in-vitro
CCC[C@H](N=[N+]=[N-])c1ccccc1	159661703	ORQWJAZGRNFLNY-JTQLQIEISA-N	175.235	3.838	10	10	AHCE	
CC1(C)/C(=C\N=[N+]=[N-])[C@H]2CC[C@H]1C2	307542143	YUQPYKLCFSQCRH-AFWDEOAXSA-N	177.251	3.637	10	10	AHCE	
Cc1ccc([C@@H](C)N=[N+]=[N-])cc1F	165903237	CUMIKHAQMYMCEV-SSDOTTSWSA-N	179.198	3.505	10	10	AHCE	
C=C(N=[N+]=[N-])c1c(C)cc(C)cc1C	238533787	UAFPVASLHVDNAE-UHFFFAOYSA-N	187.246	3.893	10	10	AHCE	
C[C@@H]1C=C[C@H](C(C)(C)N=[N+]=[N-])CC1	238476129	HSXDMGGJQGDUOF-BDAKNGLRSA-N	179.267	3.678	10	10	AHCE	
[N-]=[N+]=NCC1(CN=[N+]=[N-])CCCCC1	238589083	KULVUHPBEGHOLT-UHFFFAOYSA-N	194.242	3.558	10	10	AHCE	
CC(C)Cc1ccccc1CN=[N+]=[N-]	669379804	FAGROBVQAXSNEP-UHFFFAOYSA-N	189.262	3.695	10	10	AHCE	
Cc1cc([C@@H](C)N=[N+]=[N-])c(C)s1	34257204	QAIATKBXVYAWML-ZCFIWIBFSA-N	181.264	3.736	10	10	AHCE	
CCCCCC[C@@H](CN=[N+]=[N-])N=[N+]=[N-]	34414955	MOIBGBIQISMUEI-QMMMGPOBSA-N	196.258	3.946	10	10	AHCE	
[N-]=[N+]=NCC12CC3CC(CC(C3)C1)C2	71084460	ROYSBACOXNFZMW-UHFFFAOYSA-N	191.278	3.513	10	10	AHCE	
C[C@@H]1CC(C)(C)C[C@@](C)(N=[N+]=[N-])C1	217676322	OEAJVFGOHLBVOA-SCZZXKLOSA-N	181.283	3.902	10	10	AHCE	
[N-]=[N+]=NCc1cc2ccccc2s1	231463307	GDVWZSOWYOOULI-UHFFFAOYSA-N	189.243	3.712	10	10	AHCE	
C/C=C/[C@@H](N=[N+]=[N-])c1ccccc1	306909812	HSXHGVWKXMBPIH-GCEAOBNSSA-N	173.219	3.614	10	10	AHCE	
C[C@@H]1CCC[C@@H](SCCN=[N+]=[N-])C1	54694463	ADMQPFNLAZIFKC-RKDXNWHRSA-N	199.323	3.609	10	10	AHCE	
Cc1cc([C@H](C)N=[N+]=[N-])ccc1F	2209393534	QOAIIVZPLJDSAK-ZETCQYMHSA-N	179.198	3.505	10	10	AHCE	
Cc1ccc([C@H](C)N=[N+]=[N-])cc1C	165908456	LHUCXXBZSUAZFW-VIFPVBQESA-N	175.235	3.675	10	10	AHCE	
CC[C@H]1CC[C@@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])C1	35803515	JDUOWIROULGCQB-XLPZGREQSA-N	194.242	3.554	10	10	AHCE	
Cc1cccnc1/N=N/c1ccccc1	169554549	UKDAFRKVAVNGDO-CCEZHUSRSA-N	197.241	3.805	10	10	AHCE	
CCN=NNc1ccc(C(C)C)cc1	1860492299	MWVSKIROPIGSED-UHFFFAOYSA-N	191.278	3.609	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1ccc(Cl)s1	165915614	CMIDJOKXWOUNFL-SCSAIBSYSA-N	187.655	3.773	10	10	AHCE	
CCC(CC)[C@H](CC)N=[N+]=[N-]	238190481	MOLMBBIGIGELCM-QMMMGPOBSA-N	155.245	3.512	10	10	AHCE	
CC[C@@H](N=[N+]=[N-])c1ccccc1F	165889085	DHXBKHGWRSBFDQ-SECBINFHSA-N	179.198	3.587	10	10	AHCE	in-vitro
C[C@H](N=[N+]=[N-])[C@@H](F)c1cccc(F)c1	238458915	MZZBQLPQBJATFL-IMTBSYHQSA-N	197.188	3.535	10	10	AHCE	
[N-]=[N+]=N[C@H]1CCCCCC[C@@H]1N=[N+]=[N-]	34069398	UFUYDIZMQKZPSO-YUMQZZPRSA-N	194.242	3.698	10	10	AHCE	
Cc1ccc(C)c([C@@H](C)N=[N+]=[N-])c1	165905713	YXLRRFRXAZNMFX-SECBINFHSA-N	175.235	3.675	10	10	AHCE	
CC1(C)/C(=C/N=[N+]=[N-])[C@H]2CC[C@H]1C2	306272984	YUQPYKLCFSQCRH-YCZQLVKWSA-N	177.251	3.637	10	10	AHCE	
Cc1ccc(Cl)c(CCN=[N+]=[N-])c1	1536157267	VKGSGQIPWLJHEK-UHFFFAOYSA-N	195.653	3.501	10	10	AHCE	
[N-]=[N+]=NCCC1=Cc2ccccc2CC1	219690907	QQBCNELITUOZNF-UHFFFAOYSA-N	199.257	3.717	10	10	AHCE	
CC1CCC(C(C)(C)N=[N+]=[N-])CC1	238177369	FYVCBKRRLAGETJ-UHFFFAOYSA-N	181.283	3.902	10	10	AHCE	
[N-]=[N+]=NCC[C@@H]1CCCCC1(F)F	642886005	KAYRDSBHDRKLDO-ZETCQYMHSA-N	189.209	3.512	10	10	AHCE	
Cc1cc(Cl)ccc1CCN=[N+]=[N-]	1536156654	LXGOVLCISJRQJR-UHFFFAOYSA-N	195.653	3.501	10	10	AHCE	
C[C@H]1CC[C@@H](N=[N+]=[N-])c2ccccc21	165881141	MKQSQALMKUQLCF-GZMMTYOYSA-N	187.246	3.935	10	10	AHCE	
C[C@H]1C[C@@]1(/C=C/c1ccccc1)N=[N+]=[N-]	141781967	ODGUAUZSLZEREN-PXYQHZOESA-N	199.257	3.789	10	10	AHCE	
CC(C)[C@H]1C[C@H](C)CC[C@H]1N=[N+]=[N-]	306195276	IKDRSIBFHLACIO-OPRDCNLKSA-N	181.283	3.758	10	10	AHCE	
C[C@H]1CCC[C@@H](CCN=[N+]=[N-])C1	2241285796	FYXMCHLYHVJMGQ-IUCAKERBSA-N	167.256	3.513	10	10	AHCE	
Cc1ccnc(/N=N/c2ccccc2)c1	34744989	AGRIMFUJVYBAFF-CCEZHUSRSA-N	197.241	3.805	10	10	AHCE	
CC1(C)C[C@@]1(N=[N+]=[N-])c1ccccc1	238244856	DOIDNXLELDFIOZ-LLVKDONJSA-N	187.246	3.622	10	10	AHCE	
CCC(C)(C)/N=N/C(C)(C)CC	5459752	ZGXHUGQEDPPKGZ-VAWYXSNFSA-N	170.300	3.816	10	10	AHCE	
CC(C)(C)C1=CCC[C@H](N=[N+]=[N-])C1	238137691	FQVZDZUJBQXYCI-VIFPVBQESA-N	179.267	3.822	10	10	AHCE	
CC(C)c1cccc(CCN=[N+]=[N-])c1	1535715133	HBEWAFUUSQURCP-UHFFFAOYSA-N	189.262	3.663	10	10	AHCE	
[N-]=[N+]=NC1(c2ccc(Cl)cc2)CC1	238561906	IIHGTQFWNCHYHM-UHFFFAOYSA-N	193.637	3.639	10	10	AHCE	
CS[C@]1(N=[N+]=[N-])CCCC[C@H]1C	238398874	KVDRITQYOULAFH-HTQZYQBOSA-N	185.296	3.566	10	10	AHCE	
C[C@@H](N=[N+]=[N-])[C@H](F)c1cccc(F)c1	238409970	MZZBQLPQBJATFL-MUWHJKNJSA-N	197.188	3.535	10	10	AHCE	
Cc1cccnc1N=Nc1ccccc1	382606423	UKDAFRKVAVNGDO-UHFFFAOYSA-N	197.241	3.805	10	10	AHCE	
[N-]=[N+]=N/C=C/c1ccc(Cl)cc1	136157394	VETBUXVICPJTLY-AATRIKPKSA-N	179.610	3.621	10	10	AHCE	
CCCC[C@H](CCC)N=[N+]=[N-]	238210450	DZSHTJURWTUJPS-QMMMGPOBSA-N	155.245	3.656	10	10	AHCE	
Cc1c(Cl)ccc2scc(O)c12	307227299	CYVUSIRWTCBRCZ-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
CC/C(=C\N=[N+]=[N-])c1ccccc1	383681330	BKXNUXQFLXQCBJ-CMDGGOBGSA-N	173.219	3.748	10	10	AHCE	
C/C(=C\CCN=[N+]=[N-])c1ccccc1	219688990	KWWPSHFGRFXWLS-UXBLZVDNSA-N	187.246	3.790	10	10	AHCE	
CCC1=C(C)[C@H]2CCC[C@H]1[C@H]2N=[N+]=[N-]	306260390	UJKGNXQBVSMYED-MXWKQRLJSA-N	191.278	3.822	10	10	AHCE	
[N-]=[N+]=N[C@@H]1CCCC=C1c1ccccc1	34102205	MWQJHJXLNMXZHJ-GFCCVEGCSA-N	199.257	3.933	10	10	AHCE	
C[C@H]1CC[C@H](N=[N+]=[N-])c2ccccc21	165911575	MKQSQALMKUQLCF-KWQFWETISA-N	187.246	3.935	10	10	AHCE	
CCC/C=C\[C@H](CCC)N=[N+]=[N-]	383682788	GJLRMRNHUZKKJT-XZLDQRQTSA-N	167.256	3.822	10	10	AHCE	
CC[C@](C)(N=[N+]=[N-])c1ccccc1	216831476	IJNQNHMQVJDLNA-JTQLQIEISA-N	175.235	3.622	10	10	AHCE	
Cc1ccc(/C=C\[C@@H](C)N=[N+]=[N-])cc1	395064169	VZKVUORMHKWFSR-DAGBOUIGSA-N	187.246	3.707	10	10	AHCE	
[N-]=[N+]=NC/C=C\CC1CCCCC1	383683203	HOSXTVDXHCOODS-PLNGDYQASA-N	179.267	3.823	10	10	AHCE	
CCC[C@H](N=[N+]=[N-])[C@@H](CC)CN=[N+]=[N-]	143874124	CZLOSRGCDDSCMG-YUMQZZPRSA-N	196.258	3.802	10	10	AHCE	
[N-]=[N+]=NC12CCC3C[C@@H](C[C@@H](C3)C1)C2	196175443	RRLVAXXLVCTKQW-GGWWSXTCSA-N	191.278	3.656	10	10	AHCE	
CCCCC[C@@H](CN=[N+]=[N-])N=[N+]=[N-]	238209907	RYTDEIOQTILQFX-ZETCQYMHSA-N	182.231	3.556	10	10	AHCE	
CC(C)(C)c1ccccc1CN=[N+]=[N-]	1535722758	FYJDUJZMQCGWPS-UHFFFAOYSA-N	189.262	3.794	10	10	AHCE	
[N-]=[N+]=NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	2060359687	ROYSBACOXNFZMW-BIBSGERRSA-N	191.278	3.513	10	10	AHCE	
C[C@@H]1CCC[C@H](CCN=[N+]=[N-])C1	2241285797	FYXMCHLYHVJMGQ-RKDXNWHRSA-N	167.256	3.513	10	10	AHCE	
[N-]=[N+]=NCc1ccc2ccsc2c1	89195369	ZBPKOCFQXIBRCF-UHFFFAOYSA-N	189.243	3.712	10	10	AHCE	
C[C@@H]1C[C@@]1(/C=C/c1ccccc1)N=[N+]=[N-]	212685720	ODGUAUZSLZEREN-IOJZVYEBSA-N	199.257	3.789	10	10	AHCE	
C[C@@H]1CC[C@@](C)(CN=[N+]=[N-])C1(C)C	307116962	GKTSNWXPNDHTCX-SCZZXKLOSA-N	181.283	3.759	10	10	AHCE	
CCCn1c(C)ccc1-c1ccccc1	41209920	MOEXBPCKBHODAA-UHFFFAOYSA-N	199.297	3.874	10	10	AHCE	
CC(C)(N=[N+]=[N-])[C@H](F)c1ccccc1	196903212	NELJRAJPWKOGTK-SECBINFHSA-N	193.225	3.786	10	10	AHCE	
CCc1ccc([C@@H](C)N=[N+]=[N-])s1	165905967	JOYBOAJZDXYAPH-ZCFIWIBFSA-N	181.264	3.682	10	10	AHCE	
CC(C)(N=[N+]=[N-])c1c(F)cccc1F	149905467	BFUIERXAICVUAH-UHFFFAOYSA-N	197.188	3.510	10	10	AHCE	
CC1CC(SCCCCN=[N+]=[N-])C1	2209356373	WRENDTAJVPTBDW-UHFFFAOYSA-N	199.323	3.609	10	10	AHCE	
CC1(C)CCC[C@H](CCN=[N+]=[N-])C1	1535669170	HTKGFSWNLGBSNA-SECBINFHSA-N	181.283	3.903	10	10	AHCE	
C[C@H]1CCC[C@H](SCCN=[N+]=[N-])C1	54694461	ADMQPFNLAZIFKC-IUCAKERBSA-N	199.323	3.609	10	10	AHCE	
[N-]=[N+]=N[C@H](c1ccccc1)c1ccco1	39169067	UZPSXVVHWYOEBY-LLVKDONJSA-N	199.213	3.679	10	10	AHCE	
CC(C)N=NNc1cccc(Cl)c1	1860494891	KHXKYIBGZYGLCY-UHFFFAOYSA-N	197.669	3.528	10	10	AHCE	
C[C@@H]1[C@@H](CN=[N+]=[N-])C[C@H]2C[C@H]1C2(C)C	307005387	FEUOJSKAVNCTDG-DOLQZWNJSA-N	193.294	3.615	10	10	AHCE	
[N-]=[N+]=NCC/C=C/c1ccc(F)cc1	219689537	VVZVSTITLJEKDH-HNQUOIGGSA-N	191.209	3.539	10	10	AHCE	
C=C/C(=C/C[Si](C)(C)C)CN=[N+]=[N-]	394931608	DWEFAHHERIMGNX-TWGQIWQCSA-N	195.342	3.747	10	10	AHCE	
CCCC1(N=[N+]=[N-])CCCCC1	196518487	CXMHONZWEVTYOY-UHFFFAOYSA-N	167.256	3.800	10	10	AHCE	
CC1=CC[C@H](C(C)(C)N=[N+]=[N-])CC1	36466617	JOUXLUCWAFOYDK-VIFPVBQESA-N	179.267	3.822	10	10	AHCE	
CC1(C)CC[C@@]2(C)C[C@H](N=[N+]=[N-])[C@@H]1C2	306303127	JLEQVLWRRAAKQR-ATZCPNFKSA-N	193.294	3.902	10	10	AHCE	
CCC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1N=[N+]=[N-]	307030852	PWNSATNYUFKINY-AATLWQCWSA-N	179.267	3.512	10	10	AHCE	
CCC/C=C(\CCC)N=[N+]=[N-]	379037158	COOXWESLCAUSKP-BQYQJAHWSA-N	153.229	3.781	10	10	AHCE	
Cc1cccc(CCN=[N+]=[N-])c1Cl	1951351150	TXSORXDMKFPHSG-UHFFFAOYSA-N	195.653	3.501	10	10	AHCE	
CC(C)CCCCCN=[N+]=[N-]	200013842	VERZOHUYTIXIBD-UHFFFAOYSA-N	155.245	3.513	10	10	AHCE	
[N-]=[N+]=NC1(N=[N+]=[N-])CCCCCC1	214150543	WLGKTSCGOAXYFL-UHFFFAOYSA-N	180.215	3.658	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1ccc2ncccc2c1	200197536	GQQCNQVMWAIDOU-MRVPVSSYSA-N	198.229	3.606	10	10	AHCE	
CC1=C(C)[C@@]2(C)CCC[C@@H]1[C@@H]2N=[N+]=[N-]	238201874	VAZZBTVTHNYCNU-GARJFASQSA-N	191.278	3.822	10	10	AHCE	
CCC[C@@H](N=[N+]=[N-])[C@@H](CCC)N=[N+]=[N-]	138733563	VKEQHNPDRCKPKP-HTQZYQBOSA-N	196.258	3.944	10	10	AHCE	
CC(C)N=NNc1ccc(Cl)cc1	1860495553	GWXOBQNOEAGSIH-UHFFFAOYSA-N	197.669	3.528	10	10	AHCE	
C[C@H]1C[C@H](C)CC(C)(N=[N+]=[N-])C1	213886678	FJHRUQMFTRMSFC-YUMQZZPRSA-N	167.256	3.512	10	10	AHCE	
CCC[C@H](N=[N+]=[N-])[C@H](CCC)N=[N+]=[N-]	138733700	VKEQHNPDRCKPKP-YUMQZZPRSA-N	196.258	3.944	10	10	AHCE	
CCCC(CCC)CCN=[N+]=[N-]	1535759664	QORMHUIVHZNHKC-UHFFFAOYSA-N	169.272	3.903	10	10	AHCE	
[N-]=[N+]=NC[C@@H]1CC[C@@H]2CCCC[C@H]2C1	2210031660	FWMVDZZBBAJKJV-VWYCJHECSA-N	193.294	3.903	10	10	AHCE	
CC1(C)CCC[C@@](C)(N=[N+]=[N-])C1	38949336	SJDLWMZPCWGEIY-SECBINFHSA-N	167.256	3.656	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1ccc2c(c1)CCC2	165892822	QBZXUIWEGXDGRD-MRVPVSSYSA-N	187.246	3.547	10	10	AHCE	
CC(C)(F)[C@H](N=[N+]=[N-])c1ccccc1	196345570	RVEQNUVCFAALLU-SECBINFHSA-N	193.225	3.786	10	10	AHCE	
C[C@H](N=[N+]=[N-])[C@H](F)c1cccc(F)c1	238459327	MZZBQLPQBJATFL-RCOVLWMOSA-N	197.188	3.535	10	10	AHCE	
C/C(=C/CCN=[N+]=[N-])c1ccccc1	219689057	KWWPSHFGRFXWLS-POHAHGRESA-N	187.246	3.790	10	10	AHCE	
C[C@@H]1C=C[C@@H](C(C)(C)N=[N+]=[N-])CC1	238432854	HSXDMGGJQGDUOF-RKDXNWHRSA-N	179.267	3.678	10	10	AHCE	
Cc1cccnc1/N=N\c1ccccc1	35569731	UKDAFRKVAVNGDO-PFONDFGASA-N	197.241	3.805	10	10	AHCE	
CC[C@@H](C)N=NNc1ccccc1C	1860491553	NPSSXYCEOSBIHR-SNVBAGLBSA-N	191.278	3.573	10	10	AHCE	
CC/C=C/CC1=C(C)CCC1=S	306806122	IRVMUSROOCPJJU-SNAWJCMRSA-N	180.316	3.823	10	10	AHCE	
CC1(C)[C@H]2CC[C@@](C)(N=[N+]=[N-])[C@@H]1C2	208792868	JPNVUVKIHCDUPS-QXFUBDJGSA-N	179.267	3.512	10	10	AHCE	
Cc1cc(Cl)c2c(O)csc2c1	307101520	YRWQINCITVDTNQ-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
CC[C@H](C)N=NNc1ccc(C)cc1	1860493705	ZIDDZOAHOGQPLX-JTQLQIEISA-N	191.278	3.573	10	10	AHCE	
[N-]=[N+]=NCCCCCCC1CC1	2209005811	YHGJVIYBIAFWIR-UHFFFAOYSA-N	167.256	3.657	10	10	AHCE	
CC(=C=CCCN=[N+]=[N-])c1ccccc1	215874533	IJGVBVDCOAJBSN-UHFFFAOYSA-N	199.257	3.945	10	10	AHCE	
CC(C)c1ccc(CCN=[N+]=[N-])cc1	1535866407	VCEOVBMDRYXVBC-UHFFFAOYSA-N	189.262	3.663	10	10	AHCE	
Cc1cccc(C)c1-n1c(C)ccc1C	32009783	DOUAJIXGFGKACP-UHFFFAOYSA-N	199.297	3.711	10	10	AHCE	
[N-]=[N+]=NC1=Cc2cccc3cccc1c23	196640647	BWIVZDOGOOBDIN-UHFFFAOYSA-N	193.209	3.962	10	10	AHCE	
C[C@H](/C=C/C=C\c1ccccc1)N=[N+]=[N-]	383689557	UKMOLCIHBCTPAJ-XHUQAJMASA-N	199.257	3.955	10	10	AHCE	
Cc1sc2cc(Cl)ccc2c1O	306883942	LFFCFTMVXGFBOW-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
[N-]=[N+]=NC[C@@H]1C[C@@H]1C1CCCCC1	1883906988	YQVXJHJPJBECGQ-VHSXEESVSA-N	179.267	3.513	10	10	AHCE	
[N-]=[N+]=NC[C@@H]1C[C@@H]1C1CCCCCC1	1898643256	QCLVFQCFGZWLSE-WDEREUQCSA-N	193.294	3.903	10	10	AHCE	
[N-]=[N+]=NCCCc1cccc(Cl)c1	1951349960	FYUHEPUEIIXFRI-UHFFFAOYSA-N	195.653	3.583	10	10	AHCE	
[N-]=[N+]=NCCSCC1=CCCCC1	2241451097	AFDUAAKQNRNXRX-UHFFFAOYSA-N	197.307	3.530	10	10	AHCE	
[N-]=[N+]=NC[C@H]1C[C@H]1C1CCCCCC1	1898643255	QCLVFQCFGZWLSE-MNOVXSKESA-N	193.294	3.903	10	10	AHCE	
Cc1ccc(C(C)(C)N=[N+]=[N-])cc1	238445499	BVMRNFDVGNNGBB-UHFFFAOYSA-N	175.235	3.540	10	10	AHCE	
[N-]=[N+]=NCC1CC2(C1)CC1(CCC1)C2	1903117837	UJBLTIJATVZDJW-UHFFFAOYSA-N	191.278	3.657	10	10	AHCE	
C[C@H]1CC(C)(C)C[C@](C)(N=[N+]=[N-])C1	39017777	OEAJVFGOHLBVOA-WCBMZHEXSA-N	181.283	3.902	10	10	AHCE	
Cc1cc(F)c([C@@H](C)N=[N+]=[N-])cc1F	165880892	KULWDHXXUBPZHD-ZCFIWIBFSA-N	197.188	3.645	10	10	AHCE	
[N-]=[N+]=NCCCSCC1CCCC1	62836967	HIDNPHUBSXTNLE-UHFFFAOYSA-N	199.323	3.610	10	10	AHCE	
C=C(N=[N+]=[N-])c1cc(C)ccc1C	238452656	IBIZVLVVCYUPQS-UHFFFAOYSA-N	173.219	3.584	10	10	AHCE	
Nc1cccc(/N=N/c2ccccc2)c1	37633771	FOTUJFGXQAJEIJ-CCEZHUSRSA-N	197.241	3.684	10	10	AHCE	
[N-]=[N+]=NC1=CCCCCCC1	138606775	BKKSLJDYRXFVRW-UHFFFAOYSA-N	151.213	3.535	10	10	AHCE	
CCCc1ccc(CN=[N+]=[N-])s1	1535710604	SULTYXWUOFPZJK-UHFFFAOYSA-N	181.264	3.511	10	10	AHCE	
Cc1ccc(C)c(-n2c(C)ccc2C)c1	8411192	VMOZKNPGXWWVML-UHFFFAOYSA-N	199.297	3.711	10	10	AHCE	
Cc1ccc(/N=N/c2ccccc2)nc1	139504126	ZCYIBFHOBFDPFR-CCEZHUSRSA-N	197.241	3.805	10	10	AHCE	
CC(C)(N=NC(C)(C)N=[N+]=[N-])N=[N+]=[N-]	395048505	KORBEOQXGCUXIL-UHFFFAOYSA-N	196.218	3.531	10	10	AHCE	
CC(C)(/C=C/c1ccccc1)N=[N+]=[N-]	306326610	ISIKVGHHCLBXOP-CMDGGOBGSA-N	187.246	3.789	10	10	AHCE	
CC[C@H](C)N=NNc1cccc(C)c1	1860491329	ICZCXBYXPRXSPY-JTQLQIEISA-N	191.278	3.573	10	10	AHCE	
CC(C)(C)[C@H]1CC[C@H](N=[N+]=[N-])CC1	306305795	KGWVOMSPCIUBES-KYZUINATSA-N	181.283	3.902	10	10	AHCE	
CC1CCC(CCN=[N+]=[N-])CC1	1535670059	VTWHDEAMJFWEJV-UHFFFAOYSA-N	167.256	3.513	10	10	AHCE	
CCC[C@H](N=[N+]=[N-])[C@H](CC)CN=[N+]=[N-]	143874521	CZLOSRGCDDSCMG-SFYZADRCSA-N	196.258	3.802	10	10	AHCE	
CC1(CSCCCN=[N+]=[N-])CCC1	2242287492	UKAYMXOIJRFJSQ-UHFFFAOYSA-N	199.323	3.610	10	10	AHCE	
CC1(C)[C@@H]2CC[C@H](C2)[C@@]1(C)N=[N+]=[N-]	225276385	RCHMGLQVUWMDCR-NQMVMOMDSA-N	179.267	3.512	10	10	AHCE	
[N-]=[N+]=N/C=C/CC1CCCCC1	306600410	TYFDTBATSVJBEG-XBXARRHUSA-N	165.240	3.781	10	10	AHCE	
[N-]=[N+]=NCCSCCCCC1CC1	2209239912	MDTMSORBSFEGSN-UHFFFAOYSA-N	199.323	3.610	10	10	AHCE	
CC1(C)[C@H]2CC/C(=C\N=[N+]=[N-])[C@@H]1C2	238246868	IQSPGJBWRYFPJI-YKAJXJTPSA-N	177.251	3.637	10	10	AHCE	
CC(C)(N=[N+]=[N-])/N=N/C(C)(C)N=[N+]=[N-]	308365396	KORBEOQXGCUXIL-MDZDMXLPSA-N	196.218	3.531	10	10	AHCE	
C=C/C(=C/CCCN=[N+]=[N-])SC	307919727	ZVFIXLUEILBGNS-VURMDHGXSA-N	183.280	3.510	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1ccc(Cl)cc1	165907840	IHNLCNZEQGMOQP-ZCFIWIBFSA-N	181.626	3.711	10	10	AHCE	in-vitro
CC/C(=C/N=[N+]=[N-])c1ccccc1	306310589	BKXNUXQFLXQCBJ-HJWRWDBZSA-N	173.219	3.748	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1ccc(F)c(Cl)c1	165895908	LBRSNDAPCSJFGT-RXMQYKEDSA-N	199.616	3.850	10	10	AHCE	
Cc1ccnc(N=Nc2ccccc2)c1	382557137	AGRIMFUJVYBAFF-UHFFFAOYSA-N	197.241	3.805	10	10	AHCE	
[N-]=[N+]=NC1(c2ccco2)CCCCC1	34500840	PBZLZFRARXNYDU-UHFFFAOYSA-N	191.234	3.749	10	10	AHCE	
C[C@H](CCN=[N+]=[N-])c1ccc(F)cc1	1535756228	GDPXQEFSTJWFFI-MRVPVSSYSA-N	193.225	3.630	10	10	AHCE	
[N-]=[N+]=N[C@@H]1CCCCCC[C@H]1N=[N+]=[N-]	34069397	UFUYDIZMQKZPSO-HTQZYQBOSA-N	194.242	3.698	10	10	AHCE	
CCC[C@@H](N=[N+]=[N-])[C@H](CC)CN=[N+]=[N-]	143874697	CZLOSRGCDDSCMG-HTQZYQBOSA-N	196.258	3.802	10	10	AHCE	
[N-]=[N+]=NC[C@H]1C[C@H]1C1CCCCC1	1883906989	YQVXJHJPJBECGQ-ZJUUUORDSA-N	179.267	3.513	10	10	AHCE	
CC1=C(C)[C@@H]2[C@@H](N=[N+]=[N-])[C@@H]1CC[C@H]2C	306818071	DTWXPDCPVXBNHT-JBRWXDEYSA-N	191.278	3.678	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1ccc2c(c1)CCC2	165892942	QBZXUIWEGXDGRD-QMMMGPOBSA-N	187.246	3.547	10	10	AHCE	
[N-]=[N+]=NC1(c2ccccc2)C[C@H]2C[C@@H]2C1	238588577	HWCVLLYCFBYZEC-NXEZZACHSA-N	199.257	3.622	10	10	AHCE	
C[C@@H]1CC(C)(C)C[C@](C)(N=[N+]=[N-])C1	217676406	OEAJVFGOHLBVOA-PSASIEDQSA-N	181.283	3.902	10	10	AHCE	
[N-]=[N+]=N[C@@]12CCCC[C@@H]1c1ccccc12	196530995	WZUZYPIFFZQSLM-VXGBXAGGSA-N	199.257	3.863	10	10	AHCE	
C[C@@H](CN=[N+]=[N-])C1CCCCC1	137905353	FAFHJSREBUUFEN-QMMMGPOBSA-N	167.256	3.513	10	10	AHCE	
CCC/C=C\[C@@H](CCC)N=[N+]=[N-]	383682787	GJLRMRNHUZKKJT-JGAIRUGNSA-N	167.256	3.822	10	10	AHCE	
Cc1cc(Cl)cc(CCN=[N+]=[N-])c1	1951351074	ROTMTQYENXNPQF-UHFFFAOYSA-N	195.653	3.501	10	10	AHCE	
CCC(CC)CCc1ccc(N)cc1	139969171	WNTVRPSQGIRLOO-UHFFFAOYSA-N	191.318	3.638	10	10	AHCE	
CC(=C=CCCN=[N+]=[N-])c1ccoc1	238164365	AUJSQWYXVPMGDI-UHFFFAOYSA-N	189.218	3.538	10	10	AHCE	
CCc1ccccc1-n1c(C)ccc1C	6871111	IEUKUDGDHPVOJT-UHFFFAOYSA-N	199.297	3.657	10	10	AHCE	
[N-]=[N+]=N[C@@H](c1ccccc1F)C1CC1	201405681	ADFUWRZRGMOILI-SNVBAGLBSA-N	191.209	3.587	10	10	AHCE	
[N-]=[N+]=N[C@H]1CCC[C@@H]2CCCC[C@@H]21	238534219	DENAIFLMNFNQOO-GUBZILKMSA-N	179.267	3.656	10	10	AHCE	
Cc1c(Cl)cccc1CCN=[N+]=[N-]	1951350882	OTUJQQCZVFJJPO-UHFFFAOYSA-N	195.653	3.501	10	10	AHCE	
[N-]=[N+]=NC[C@@H]1C[C@H]1C1CCCCCC1	1877773385	QCLVFQCFGZWLSE-QWRGUYRKSA-N	193.294	3.903	10	10	AHCE	
[N-]=[N+]=NC[C@@H]1CC[C@H]2CCCC[C@@H]2C1	2210031657	FWMVDZZBBAJKJV-GMTAPVOTSA-N	193.294	3.903	10	10	AHCE	
C[C@H]1C=C[C@H](C(C)(C)N=[N+]=[N-])CC1	238435186	HSXDMGGJQGDUOF-IUCAKERBSA-N	179.267	3.678	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1ccnc2ccccc12	38996695	YNCYOXCUJKIPJD-QMMMGPOBSA-N	198.229	3.606	10	10	AHCE	
Cc1ccc(-n2c(C)ccc2C)c(C)c1	8410721	QUOSFPJTOSHSQI-UHFFFAOYSA-N	199.297	3.711	10	10	AHCE	
C[C@H]1C[C@@H](C)C[C@@](C)(N=[N+]=[N-])C1	307142538	FJHRUQMFTRMSFC-AYMMMOKOSA-N	167.256	3.512	10	10	AHCE	
CCCC[C@@H](CCC)N=[N+]=[N-]	238211082	DZSHTJURWTUJPS-MRVPVSSYSA-N	155.245	3.656	10	10	AHCE	
CC(C)c1ccc(CN=[N+]=[N-])cc1	37206910	LGLDPJRXZNPEIS-UHFFFAOYSA-N	175.235	3.620	10	10	AHCE	
CCn1c(C)ccc1-c1cccc(C)c1	41209924	CGGUVNZWWKEYFS-UHFFFAOYSA-N	199.297	3.792	10	10	AHCE	
C[C@H]1CC[C@H]2C[C@@]1(N=[N+]=[N-])C2(C)C	238447856	CKBFPRUTSWSOJN-NRPADANISA-N	179.267	3.512	10	10	AHCE	
Cc1cccc2sc(Cl)c(O)c12	307428053	ZXWUNYIYXDFKGN-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
C[C@H]1[C@@H](CN=[N+]=[N-])C[C@H]2C[C@H]1C2(C)C	307005392	FEUOJSKAVNCTDG-QCLAVDOMSA-N	193.294	3.615	10	10	AHCE	
Cc1c(CN=[N+]=[N-])oc2ccccc12	1535818133	QHBJBCPPDOYDDG-UHFFFAOYSA-N	187.202	3.552	10	10	AHCE	
CCCCC(=O)C[C@@H](CCC)N=[N+]=[N-]	225502108	QQEHOKRCODFNKL-SECBINFHSA-N	197.282	3.615	10	10	AHCE	
CCc1ccc(-c2ccc(C)n2C)cc1	41209928	KMQPAFSWOWXBFV-UHFFFAOYSA-N	199.297	3.563	10	10	AHCE	
C[Si](C)(C)C1=CCCC[C@@H]1N=[N+]=[N-]	196468262	WLHOMYVEPFGTND-QMMMGPOBSA-N	195.342	3.653	10	10	AHCE	
[N-]=[N+]=N[C@H]1CCC[C@@H](N=[N+]=[N-])CCC1	306268500	JTOCAFJMVQGNAO-OCAPTIKFSA-N	194.242	3.698	10	10	AHCE	
CS[C@H]1CCC=CCC[C@H]1N=[N+]=[N-]	308084627	UPRDJGHPYDBTBT-BDAKNGLRSA-N	197.307	3.527	10	10	AHCE	
Cc1ccc(CCCN=[N+]=[N-])c(C)c1	202590636	LLUZGTJZYQNBBQ-UHFFFAOYSA-N	189.262	3.546	10	10	AHCE	
CC[C@H]1CC[C@H](CN=[N+]=[N-])CC1	1951350595	MGTIITCPRNUDJE-KYZUINATSA-N	167.256	3.513	10	10	AHCE	
CCC1=C(C)[C@@H]2CCC[C@H]1[C@H]2N=[N+]=[N-]	307452034	UJKGNXQBVSMYED-AXFHLTTASA-N	191.278	3.822	10	10	AHCE	
CC(C)[C@H](CN=[N+]=[N-])c1ccccc1	238153560	CIJYOCUEEDBLIR-NSHDSACASA-N	189.262	3.737	10	10	AHCE	
CS[C@@](C)(N=[N+]=[N-])C1CCCCC1	238390620	UCUASBKLYMLYHK-SECBINFHSA-N	199.323	3.956	10	10	AHCE	
CC(C)=CCC[C@@H](C)CN=[N+]=[N-]	238411626	JZXUTWFNLBWOHP-SECBINFHSA-N	167.256	3.679	10	10	AHCE	
CCC/C=C/[C@H](CCC)N=[N+]=[N-]	307911234	GJLRMRNHUZKKJT-ORZBULNSSA-N	167.256	3.822	10	10	AHCE	
C[C@@H]1C[C@H]1CCCCCN=[N+]=[N-]	2241647942	KGUMAPDRRMSXLN-RKDXNWHRSA-N	167.256	3.513	10	10	AHCE	
[N-]=[N+]=N[C@H]1Cc2cccc3cccc1c23	238533938	KYWUGJUFLLOYLN-NSHDSACASA-N	195.225	3.747	10	10	AHCE	
Cc1cc(C)c([C@H](C)N=[N+]=[N-])c(C)c1	165885093	SIPHEKGXVHMGPQ-JTQLQIEISA-N	189.262	3.983	10	10	AHCE	
CC[C@@H]1CC[C@H](N=[N+]=[N-])[C@@H](N=[N+]=[N-])C1	238265881	JDUOWIROULGCQB-CSMHCCOUSA-N	194.242	3.554	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1ccc(F)c(Cl)c1	165887402	LBRSNDAPCSJFGT-YFKPBYRVSA-N	199.616	3.850	10	10	AHCE	
[N-]=[N+]=NC[C@H]1C[C@H]2CCC[C@H](C2)C1	2209102398	FGVSWOPJAOKGHM-ILWJIGKKSA-N	179.267	3.513	10	10	AHCE	
C[C@@H]1CC[C@H](N=[N+]=[N-])c2ccccc21	165911458	MKQSQALMKUQLCF-KCJUWKMLSA-N	187.246	3.935	10	10	AHCE	
C[C@H](CCN=[N+]=[N-])CC(C)(C)C	1951349989	GDJRAFCRRHYKAT-MRVPVSSYSA-N	169.272	3.759	10	10	AHCE	
CC1=C(C)[C@H]2[C@@H](C)CC[C@@H]1[C@@H]2N=[N+]=[N-]	307000982	DTWXPDCPVXBNHT-HTCUVTCBSA-N	191.278	3.678	10	10	AHCE	
CC(C)=CCC[C@H](C)CN=[N+]=[N-]	238418777	JZXUTWFNLBWOHP-VIFPVBQESA-N	167.256	3.679	10	10	AHCE	
[N-]=[N+]=NCCCSCCC1CCC1	2241727077	IWZFNYYURRLBAY-UHFFFAOYSA-N	199.323	3.610	10	10	AHCE	
C[C@H](N=[N+]=[N-])[C@@H](F)c1ccc(F)cc1	238458887	ASAVPWPJSBVFLA-IMTBSYHQSA-N	197.188	3.535	10	10	AHCE	
C[C@H]1CC[C@H](CCN=[N+]=[N-])CC1	1952160565	VTWHDEAMJFWEJV-KYZUINATSA-N	167.256	3.513	10	10	AHCE	
C[C@H]1C[C@@H](C)C[C@](C)(N=[N+]=[N-])C1	306152854	FJHRUQMFTRMSFC-BRPSZJMVSA-N	167.256	3.512	10	10	AHCE	
CC(C)N=NC1(N=[N+]=[N-])CCCCC1	383697412	FWRTUCFTQOGYKR-UHFFFAOYSA-N	195.270	3.818	10	10	AHCE	
CC1(C)CC(SCCCN=[N+]=[N-])C1	2242202008	NGKLDWHMRSRMDF-UHFFFAOYSA-N	199.323	3.609	10	10	AHCE	
C[C@H]1C[C@]1(/C=C/c1ccccc1)N=[N+]=[N-]	238456174	ODGUAUZSLZEREN-HUAGXHDJSA-N	199.257	3.789	10	10	AHCE	
[N-]=[N+]=NCCCSC1CCCCC1	42416455	KGALNTFCYCJNMB-UHFFFAOYSA-N	199.323	3.753	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1ccc(Cl)cc1F	1912170438	XAAGBJBEBDLQMI-RXMQYKEDSA-N	199.616	3.850	10	10	AHCE	
CCCCC/C=C\CCN=[N+]=[N-]	307918449	UUEIDXNARHVMBS-SREVYHEPSA-N	167.256	3.823	10	10	AHCE	
CC1=C(C)[C@@]2(C)CCC[C@H]1[C@@H]2N=[N+]=[N-]	238201907	VAZZBTVTHNYCNU-OUAUKWLOSA-N	191.278	3.822	10	10	AHCE	
CC[C@@H](C)N=NNc1cccc(C)c1	1860491330	ICZCXBYXPRXSPY-SNVBAGLBSA-N	191.278	3.573	10	10	AHCE	
[N-]=[N+]=N/C=C1\CCCc2ccccc21	307027731	KCVFCAODTHVSMF-CSKARUKUSA-N	185.230	3.674	10	10	AHCE	
Cc1cc(C)c([C@@H](C)N=[N+]=[N-])c(C)c1	165888323	SIPHEKGXVHMGPQ-SNVBAGLBSA-N	189.262	3.983	10	10	AHCE	
CCCc1ccc(CCN=[N+]=[N-])s1	1535707351	YDYKZCNEIIPZQY-UHFFFAOYSA-N	195.291	3.553	10	10	AHCE	
C[C@@H]1C[C@@H](N=[N+]=[N-])c2ccccc21	199892588	ZPUOQKRHBIKWMU-GMSGAONNSA-N	173.219	3.545	10	10	AHCE	
CC/C(=C\CN=[N+]=[N-])c1ccccc1	383685054	LFJWUURFAFMWOF-CSKARUKUSA-N	187.246	3.790	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1cc2ccccc2o1	165887662	JHTDFSKKTBXGEO-SSDOTTSWSA-N	187.202	3.804	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1ccc(Cl)cc1F	1912174249	XAAGBJBEBDLQMI-YFKPBYRVSA-N	199.616	3.850	10	10	AHCE	
C[C@H]1CC(C)(C)C[C@@](C)(N=[N+]=[N-])C1	39038794	OEAJVFGOHLBVOA-WPRPVWTQSA-N	181.283	3.902	10	10	AHCE	
CCc1ccccc1[C@H](C)N=[N+]=[N-]	1883968127	WMQGJFWIDUXTKK-QMMMGPOBSA-N	175.235	3.620	10	10	AHCE	
CC1=C(C)[C@H]2[C@@H](C)CC[C@H]1[C@H]2N=[N+]=[N-]	238449131	DTWXPDCPVXBNHT-JADCEHMESA-N	191.278	3.678	10	10	AHCE	
[N-]=[N+]=NC1=CC=C2C=CC=CC(=C1)C2	238537761	UTKXBLIBKYYNHT-UHFFFAOYSA-N	183.214	3.563	10	10	AHCE	
CC1(C)[C@H]2CC/C(=C\N=[N+]=[N-])[C@H]1C2	238246884	IQSPGJBWRYFPJI-PUCWJLDJSA-N	177.251	3.637	10	10	AHCE	
C/C=C(\CC)c1ccc(N(C)C)cc1	5302136	KXKHWHSAYUFNAQ-VZUCSPMQSA-N	189.302	3.566	10	10	AHCE	
CC(C)(N=[N+]=[N-])[C@@H](F)c1ccccc1	196903221	NELJRAJPWKOGTK-VIFPVBQESA-N	193.225	3.786	10	10	AHCE	
C/C=C\c1ccc(N(CC)CC)cc1	115164719	QUSCRVNAZCASKX-DAXSKMNVSA-N	189.302	3.566	10	10	AHCE	
Cc1ccc2c(O)csc2c1Cl	307495835	JKVUIZLYDMMKEG-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
CCn1c(C)ccc1-c1ccccc1C	41209922	RKQAHTZIIQFJTN-UHFFFAOYSA-N	199.297	3.792	10	10	AHCE	
CS[C@H]1CC/C=C/CC[C@@H]1N=[N+]=[N-]	238395003	UPRDJGHPYDBTBT-JKRGSOBMSA-N	197.307	3.527	10	10	AHCE	
CSc1ccc([C@H](C)N=[N+]=[N-])cc1	165896260	YMHWVLBMIVFOBD-ZETCQYMHSA-N	193.275	3.780	10	10	AHCE	
CS[C@H]1CC/C=C/CC[C@H]1N=[N+]=[N-]	306310968	UPRDJGHPYDBTBT-ALCGYSGWSA-N	197.307	3.527	10	10	AHCE	
CCC1=C(CN=[N+]=[N-])CCCC1	59672590	YPTPETSPISTZSO-UHFFFAOYSA-N	165.240	3.577	10	10	AHCE	
CC[C@@H](N=[N+]=[N-])c1ccc(C)cc1	123613726	CNMPEBMQPVPGTH-SNVBAGLBSA-N	175.235	3.756	10	10	AHCE	
[N-]=[N+]=N[C@H]1C=C(c2ccccc2)CCC1	34294962	YRFAAZMZTOUEFA-GFCCVEGCSA-N	199.257	3.933	10	10	AHCE	
[N-]=[N+]=NCC/C=C/C=C/c1ccccc1	34541388	RPYQRFAXEZXSNR-AIWOWGKTSA-N	199.257	3.956	10	10	AHCE	
C[C@@H]1C[C@@]1(/C=C\c1ccccc1)N=[N+]=[N-]	212685662	ODGUAUZSLZEREN-POPFVDGXSA-N	199.257	3.789	10	10	AHCE	
CC(C)(N=[N+]=[N-])c1ccc(Cl)cc1	238161677	JPBNYPLQMMQULR-UHFFFAOYSA-N	195.653	3.885	10	10	AHCE	
CC1(C)/C(=C\N=[N+]=[N-])[C@@H]2CC[C@H]1C2	687750193	YUQPYKLCFSQCRH-JESIJGHFSA-N	177.251	3.637	10	10	AHCE	
CCCCN=NNc1ccccc1C	1860491294	GLEQGIIWJRBPDY-UHFFFAOYSA-N	191.278	3.574	10	10	AHCE	
Cc1cc(C)cc([C@H](C)N=[N+]=[N-])c1	165899845	ILMGGLHEIDECFX-VIFPVBQESA-N	175.235	3.675	10	10	AHCE	
CC(C)[C@@H]1CC[C@H](C)[C@@H](N=[N+]=[N-])C1	238795047	HQHGJWDZZJWFLE-AEJSXWLSSA-N	181.283	3.758	10	10	AHCE	
Cc1ccc(/C(=C\Cl)N=[N+]=[N-])cc1	394926154	BDYZFYLFGKMRHV-RMKNXTFCSA-N	193.637	3.843	10	10	AHCE	
[N-]=[N+]=NCC/C=C/C=C\c1ccccc1	219400987	RPYQRFAXEZXSNR-UHTANOITSA-N	199.257	3.956	10	10	AHCE	
Cc1c(F)ccc([C@H](C)N=[N+]=[N-])c1C	1889681843	UEQUOXUWNGKDNP-QMMMGPOBSA-N	193.225	3.814	10	10	AHCE	
[N-]=[N+]=N[C@H]1CCSc2ccccc21	165904961	BPLJBCFVHGGPGA-QMMMGPOBSA-N	191.259	3.534	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1ccc(Cl)cc1	165904113	IHNLCNZEQGMOQP-LURJTMIESA-N	181.626	3.711	10	10	AHCE	in-vitro
CCC[C@H]1CCC[C@]1(C)N=[N+]=[N-]	238274771	TUUKRIGSRGIKHZ-IUCAKERBSA-N	167.256	3.656	10	10	AHCE	
CC1(C)[C@H]2CC/C(=C/N=[N+]=[N-])[C@H]1C2	379232995	IQSPGJBWRYFPJI-XFPDIIEBSA-N	177.251	3.637	10	10	AHCE	
[N-]=[N+]=NCCCCCc1ccccc1	169312802	RCMJJMOQPLJZRU-UHFFFAOYSA-N	189.262	3.710	10	10	AHCE	
[N-]=[N+]=N[C@@H]1CCC[C@@H]2CCCC[C@H]21	306406549	DENAIFLMNFNQOO-IVZWLZJFSA-N	179.267	3.656	10	10	AHCE	
C[C@H]1[C@H](CN=[N+]=[N-])C[C@H]2C[C@H]1C2(C)C	307005384	FEUOJSKAVNCTDG-AATLWQCWSA-N	193.294	3.615	10	10	AHCE	
C[C@H](N=[N+]=[N-])c1cc(F)cc(Cl)c1	2209335178	SPNKSXDWTLTCIW-YFKPBYRVSA-N	199.616	3.850	10	10	AHCE	
Cc1c(Cl)ccc2c(O)csc12	231269020	OLGWQKMMMHVHCK-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
Cc1ccc(/C=C/[C@@H](C)N=[N+]=[N-])cc1	306474444	VZKVUORMHKWFSR-VHODGJRUSA-N	187.246	3.707	10	10	AHCE	
CC(C)(C)CCCc1ccc(N)cc1	1929715860	BHNDVLVDLBENFM-UHFFFAOYSA-N	191.318	3.638	10	10	AHCE	
CC1=CC[C@@H](C(C)C)C[C@@H]1N=[N+]=[N-]	238793929	SMPGQNCYDKMFNB-ZJUUUORDSA-N	179.267	3.678	10	10	AHCE	
[N-]=[N+]=NC1(c2ccccc2)C[C@@H]2C[C@H]2C1	238588563	HWCVLLYCFBYZEC-UWVGGRQHSA-N	199.257	3.622	10	10	AHCE	
[N-]=[N+]=NCCCSc1cccs1	42416340	SPUOAIFFDPICLA-UHFFFAOYSA-N	199.304	3.541	10	10	AHCE	
[N-]=[N+]=NC12CCCCC1CCCC2	146893085	KAODYARZZRVTDH-UHFFFAOYSA-N	179.267	3.800	10	10	AHCE	
[N-]=[N+]=NC[C@H](F)CC1CCCCC1	238712187	HBEPNKCQZSNVFP-SECBINFHSA-N	185.246	3.605	10	10	AHCE	
[N-]=[N+]=NCCCCSC1CCCC1	1912182453	BRKWRXGILHVNPH-UHFFFAOYSA-N	199.323	3.753	10	10	AHCE	
CCC[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1N=[N+]=[N-]	34499942	PWNSATNYUFKINY-XFWSIPNHSA-N	179.267	3.512	10	10	AHCE	
[N-]=[N+]=N[C@@]12CCCC[C@H]1c1ccccc12	196531002	WZUZYPIFFZQSLM-NWDGAFQWSA-N	199.257	3.863	10	10	AHCE	
CC[C@](C)(Cc1ccccc1)N=[N+]=[N-]	238281768	GMWOEFZDHRMQER-LLVKDONJSA-N	189.262	3.708	10	10	AHCE	
[N-]=[N+]=NC/C=C\Sc1ccccc1	308050210	GBNMCEPFOFCSBW-YWEYNIOJSA-N	191.259	3.603	10	10	AHCE	
Cc1cc([C@@H](C)N=[N+]=[N-])ccc1F	2209393533	QOAIIVZPLJDSAK-SSDOTTSWSA-N	179.198	3.505	10	10	AHCE	
C[C@H](/C=C/C=C/c1ccccc1)N=[N+]=[N-]	383689555	UKMOLCIHBCTPAJ-SDTVIGHBSA-N	199.257	3.955	10	10	AHCE	
Cc1ccc(N=Nc2ccccc2)nc1	256015177	ZCYIBFHOBFDPFR-UHFFFAOYSA-N	197.241	3.805	10	10	AHCE	
CC[C@H](N=[N+]=[N-])c1cccs1	165905224	UYBKRJUWKSTXLS-LURJTMIESA-N	167.237	3.510	10	10	AHCE	
Cc1ccc(/C=C/[C@H](C)N=[N+]=[N-])cc1	306474686	VZKVUORMHKWFSR-YVFTVSHDSA-N	187.246	3.707	10	10	AHCE	
C[Si](C)(C)C1=CCCC[C@H]1N=[N+]=[N-]	196468274	WLHOMYVEPFGTND-MRVPVSSYSA-N	195.342	3.653	10	10	AHCE	
CC1(C)[C@H](N=[N+]=[N-])CC[C@]1(C)N=[N+]=[N-]	238236395	MGSOLOPUUZVWCG-SVRRBLITSA-N	194.242	3.554	10	10	AHCE	
[N-]=[N+]=N[C@@H]1C[C@H]2CCCc3cccc1c32	238596424	MOUNGIPWANXOJP-MWLCHTKSSA-N	199.257	3.862	10	10	AHCE	
[N-]=[N+]=NC[C@H]1C[C@H]2CCC[C@H]1CC2	1888299363	WYTCITBRJXZJAL-LPEHRKFASA-N	179.267	3.513	10	10	AHCE	
CC(C)[C@@H]1C[C@H](C)CC[C@@H]1N=[N+]=[N-]	238161589	IKDRSIBFHLACIO-UTLUCORTSA-N	181.283	3.758	10	10	AHCE	
CC1(C)CC2(CC(CN=[N+]=[N-])C2)C1	1882566254	UOVCWGOOFIYPQS-UHFFFAOYSA-N	179.267	3.513	10	10	AHCE	
C[C@@H](N=[N+]=[N-])[C@@H](F)c1cccc(F)c1	238409387	MZZBQLPQBJATFL-HZGVNTEJSA-N	197.188	3.535	10	10	AHCE	
[N-]=[N+]=NCCCC1CCCCC1	113465876	HSGZVZASXVOBNC-UHFFFAOYSA-N	167.256	3.657	10	10	AHCE	
CC/N=N/c1cccc2ccccc12	225941212	RGSDMKHNVTVQMU-BUHFOSPRSA-N	184.242	3.943	10	10	AHCE	
[N-]=[N+]=NC/C=C/CC1CCCCC1	308052124	HOSXTVDXHCOODS-SNAWJCMRSA-N	179.267	3.823	10	10	AHCE	
C[C@H](/C=C\C=C\c1ccccc1)N=[N+]=[N-]	308697739	UKMOLCIHBCTPAJ-GRXHMFOZSA-N	199.257	3.955	10	10	AHCE	
[N-]=[N+]=N/C=C/C=C\c1ccccc1	383680804	APPGJUGSMXTMGO-MVTUOISNSA-N	171.203	3.524	10	10	AHCE	
CC1(C)CCC(CN=[N+]=[N-])CC1	306450861	QVHWASKOAAGQQM-UHFFFAOYSA-N	167.256	3.513	10	10	AHCE	
C[C@H]1CCC[C@H](CCN=[N+]=[N-])C1	2241285795	FYXMCHLYHVJMGQ-DTWKUNHWSA-N	167.256	3.513	10	10	AHCE	
CC[C@H]1CCC[C@@](C)(N=[N+]=[N-])C1	215089808	KQRMBBPRZLRCIF-DTWKUNHWSA-N	167.256	3.656	10	10	AHCE	
C[C@@H]1C[C@H](N=[N+]=[N-])c2ccccc21	199892528	ZPUOQKRHBIKWMU-XCBNKYQSSA-N	173.219	3.545	10	10	AHCE	
Cc1ccc2sc(Cl)c(O)c2c1	307058927	GNZYUMWFKYSRDQ-UHFFFAOYSA-N	198.674	3.569	10	10	AHCE	
CC1(C)CC[C@@]2(C)C[C@@H]1[C@H](N=[N+]=[N-])C2	238227927	JLEQVLWRRAAKQR-KKZNHRDASA-N	193.294	3.902	10	10	AHCE	
Cc1cccc(-n2c(C)ccc2C)c1C	32009785	ZYAOBNNKTUTUJJ-UHFFFAOYSA-N	199.297	3.711	10	10	AHCE	
CCC[C@H](N=[N+]=[N-])[C@@H](CCC)N=[N+]=[N-]	138733432	VKEQHNPDRCKPKP-OCAPTIKFSA-N	196.258	3.944	10	10	AHCE	
CC(C)c1ccccc1CCN=[N+]=[N-]	1535702619	JODAEALHRUTKAX-UHFFFAOYSA-N	189.262	3.663	10	10	AHCE	
C[C@@H]1C[C@@H]1CCCCCN=[N+]=[N-]	2241647939	KGUMAPDRRMSXLN-BDAKNGLRSA-N	167.256	3.513	10	10	AHCE	
CC1=C(C)[C@H]2[C@@H](C)CC[C@H]1[C@@H]2N=[N+]=[N-]	238449634	DTWXPDCPVXBNHT-HCPDIIQCSA-N	191.278	3.678	10	10	AHCE	
Cc1ccc(-c2ccco2)n1C(C)C	41204496	HFCOOBVGJBUGQH-UHFFFAOYSA-N	189.258	3.637	10	10	AHCE	
CC(C)=C(CN=[N+]=[N-])c1ccccc1	220371778	SZEZVOKKUNWLEM-UHFFFAOYSA-N	187.246	3.790	10	10	AHCE	
[N-]=[N+]=NCc1cc(F)ccc1C1CC1	1890690804	KYHNUPMQYOFOPQ-UHFFFAOYSA-N	191.209	3.513	10	10	AHCE	
CC(C)[C@@H]1CC[C@@H](C)[C@@H](N=[N+]=[N-])C1	238794582	HQHGJWDZZJWFLE-BBBLOLIVSA-N	181.283	3.758	10	10	AHCE	
CCC[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1N=[N+]=[N-]	307030853	PWNSATNYUFKINY-AXTSPUMRSA-N	179.267	3.512	10	10	AHCE	
[N-]=[N+]=N[C@@H](c1cccc(F)c1)C1CC1	201405763	PFUHQGFWYPKOBH-SNVBAGLBSA-N	191.209	3.587	10	10	AHCE	
CCCCCCSCCN=[N+]=[N-]	2242466886	NCQOWYWCOANAFQ-UHFFFAOYSA-N	187.312	3.610	10	10	AHCE	
CC(C)(C)[C@@]1(N=[N+]=[N-])C=CCCC1	238108279	HWTDUIRHZJUQQP-SNVBAGLBSA-N	179.267	3.822	10	10	AHCE	
C[C@@H](N=[N+]=[N-])c1cc(F)cc(Cl)c1	2209335177	SPNKSXDWTLTCIW-RXMQYKEDSA-N	199.616	3.850	10	10	AHCE	
[N-]=[N+]=N[C@H](c1ccccc1F)C1CC1	201405713	ADFUWRZRGMOILI-JTQLQIEISA-N	191.209	3.587	10	10	AHCE	
CC[C@@H](N=[N+]=[N-])c1ccc(F)c(F)c1	209690088	YNLXIXFSHKSTHJ-SECBINFHSA-N	197.188	3.726	10	10	AHCE	
CC(C)(C)C1=C[C@@H](N=[N+]=[N-])CCC1	238138183	IEAQRTJXPWFAQS-VIFPVBQESA-N	179.267	3.822	10	10	AHCE	
Cl/N=N/c1nc2ccccc2s1	218019336	UTCGFSIEHALGIH-ZHACJKMWSA-N	197.650	3.534	10	10	AHCE	
Nc1ccccc1/N=N/c1ccccc1	5421291	KQZBSZUGKSCFBL-CCEZHUSRSA-N	197.241	3.684	10	10	AHCE	
[N-]=[N+]=NCc1cccc(C2CCC2)c1	1892524560	VNKDOUBLEBCARV-UHFFFAOYSA-N	187.246	3.764	10	10	AHCE	
CC(C)(C)C1=C[C@H](N=[N+]=[N-])CCC1	238138538	IEAQRTJXPWFAQS-SECBINFHSA-N	179.267	3.822	10	10	AHCE	
CC(C)c1ccccc1CN=[N+]=[N-]	953126645	UOWMUNIWPZXXJJ-UHFFFAOYSA-N	175.235	3.620	10	10	AHCE	
CC[C@@H](CCN=[N+]=[N-])c1ccccc1	1951349726	DJSHNTIYFHLHIQ-JTQLQIEISA-N	189.262	3.881	10	10	AHCE	
[N-]=[N+]=NCCCCSCCC1CC1	2209237832	AXNHBVHBAQVQPU-UHFFFAOYSA-N	199.323	3.610	10	10	AHCE