smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCCNC[C@@H](CC)CCCC	5822085	WNTBDUYEISRPNS-LBPRGKRZSA-N	185.355	3.593	0	30	AHAC	
C=Cc1cc(C)cc(C(C)C)c1	95922431	PWLMERMJVOGWNP-UHFFFAOYSA-N	160.260	3.761	0	30	AHAC	
CCCC[C@@H](CC)CC[C@H](C)CO	5821750	WIGUFLFEXMLRCT-NWDGAFQWSA-N	186.339	3.611	0	30	AHAC	
CC(C)=CCC[C@](C)(O)CCC(C)C	33608367	XNWZTHGGEVXZCM-ZDUSSCGKSA-N	198.350	3.920	0	30	AHAC	
CCCCOc1ccc(C(C)C)cc1	32145618	ZWBXGMNUQKYQSF-UHFFFAOYSA-N	192.302	3.989	0	30	AHAC	
c1ccc(-c2cccc3cc[nH]c23)cc1	34319888	PIEDFMITVNDHRR-UHFFFAOYSA-N	193.249	3.835	0	30	AHAC	
CC(C)CCCCC[C@H]1CCCC1=O	98090206	MCQBMVHGBMKXGO-LBPRGKRZSA-N	196.334	3.962	0	30	AHAC	
CCCS/C=C\SCCC	33953249	WERZWRCQQURDDW-FPLPWBNLSA-N	176.350	3.744	0	30	AHAC	
Cc1ccccc1SC(C)(C)C	32149981	CPLBLSLTYWIYLY-UHFFFAOYSA-N	180.316	3.886	0	30	AHAC	
c1nc2c(ccc3cscc32)s1	45238254	NTJKBVNKGXCAGQ-UHFFFAOYSA-N	191.280	3.511	0	30	AHAC	
CC(C)(Cl)/C=C/C(C)(C)Cl	111336466	ANSLDRRWTXDPKO-AATRIKPKSA-N	181.106	3.577	0	30	AHAC	
CCC(C)(C)C(C)=C(C)C	111408743	DZDNSWFWQXTWAM-UHFFFAOYSA-N	140.270	3.779	0	30	AHAC	
CC(=O)CC(C)(C)C1CCC(C)CC1	31308335	FIHXKZYLIWLRND-UHFFFAOYSA-N	196.334	3.818	0	30	AHAC	
CC(C)=CCC(C)(C)C(=O)C(C)C	113072229	CTLDWNVYXLHMAS-UHFFFAOYSA-N	182.307	3.594	0	30	AHAC	
c1cnc2c(c1)CCCCCCCC2	38642470	BHNLTTSWHMADPU-UHFFFAOYSA-N	189.302	3.521	0	30	AHAC	
CC1CCC(C(C)(C)C[C@@H](C)O)CC1	5767819	LHABIGFBCKFBML-MOENNCHZSA-N	198.350	3.610	0	30	AHAC	
Fc1ccc2cc(Cl)ccc2c1	71256907	QWAOODAKUAYDQK-UHFFFAOYSA-N	180.609	3.632	0	30	AHAC	
CC(C)P(c1ccccc1)C(C)C	1765041	AIFSJAIZLCBORN-UHFFFAOYSA-N	194.258	3.611	0	30	AHAC	
CC(C)Nc1ccc2ccccc2c1	5138363	SIZAEFGOHCBUPV-UHFFFAOYSA-N	185.270	3.660	0	30	AHAC	
CC[C@@H](C)c1ccc2c(c1)CCCN2	19802991	SGEUVWGCLKXHFC-SNVBAGLBSA-N	189.302	3.558	0	30	AHAC	
CCCC[C@@H](CC)CC(=O)CC	43456213	KAOJOMUTIDDDOQ-SNVBAGLBSA-N	170.296	3.572	0	30	AHAC	
CC1=CC(C)(C)c2ccc(C)cc21	111394757	OIPWFYHULPYGNG-UHFFFAOYSA-N	172.271	3.690	0	30	AHAC	
C=C=C(c1ccccc1)c1ccccc1	104528078	OPKQXJQFEPNJTP-UHFFFAOYSA-N	192.261	3.903	0	30	AHAC	
Cc1ccccc1Oc1ccccc1	1696796	WCOYPFBMFKXWBM-UHFFFAOYSA-N	184.238	3.787	0	30	AHAC	
CC[C@@H](C)c1cccc2c1NCCC2	33608110	LGODJGHQMMHAHW-SNVBAGLBSA-N	189.302	3.558	0	30	AHAC	
C/C=C/C[C@]1(C)CC[C@H](C(C)C)C1=O	39112364	JLQAPIHTUXUZRB-ZFAUCMQBSA-N	194.318	3.594	0	30	AHAC	
C=Cc1ccccc1C(C)(C)C	59882270	LUECERFWADIZPD-UHFFFAOYSA-N	160.260	3.627	0	30	AHAC	
CC/C=C(\CC)CCC	2009928	UEXWGMADXSUAIL-VQHVLOKHSA-N	126.243	3.533	0	30	AHAC	
CC(C)=CCC[C@@H](C)CCC[C@@H](C)O	33611444	FMVQVNCSZAWHFS-CHWSQXEVSA-N	198.350	3.920	0	30	AHAC	
C/C=C(\C)CCCCCC	96333950	CMLFMHBAUHOXAV-BJMVGYQFSA-N	140.270	3.923	0	30	AHAC	
CC(C)c1ccc(C(C)(C)C)c(O)c1	5447540	DBULNVCXEGKRIX-UHFFFAOYSA-N	192.302	3.813	0	30	AHAC	
CCC(=O)[C@@H]1C[C@H](C)CC=C1C(C)C	33607948	WQTULNIVXGGNNJ-ZYHUDNBSSA-N	194.318	3.594	0	30	AHAC	
C/C=C/CCCCCCCCCO	28631175	JLQAHGGMRAJUMJ-NSCUHMNNSA-N	184.323	3.676	0	30	AHAC	
CCC(=O)[C@@H](C)[C@@H](C)C1CCCCC1	38656805	BDIBAMAHAOIPBY-MNOVXSKESA-N	196.334	3.818	0	30	AHAC	
CCCCNC[C@H](CC)CCCC	5821768	WNTBDUYEISRPNS-GFCCVEGCSA-N	185.355	3.593	0	30	AHAC	
CC=C1CCCCCCC1	2528257	WSOKCFIRHYCWJE-UHFFFAOYSA-N	138.254	3.677	0	30	AHAC	
OC1=C(C2=C(O)CCCC2)CCCC1	238790341	MOVGVXYSMPWXIA-UHFFFAOYSA-N	194.274	3.759	0	30	AHAC	
C[Si](C)(C)[C@H]1C=Cc2ccccc21	195755312	DAVVYCRMXOFZQG-LBPRGKRZSA-N	188.346	3.674	0	30	AHAC	
CCC(C)(CC)C(=O)c1ccccc1	39245728	BAMYJYAJTQULAM-UHFFFAOYSA-N	190.286	3.696	0	30	AHAC	
Cc1nc2ccc(C(C)C)cc2s1	45237087	VIYIYGNVHSOXKC-UHFFFAOYSA-N	191.299	3.728	0	30	AHAC	
c1ccc(-c2ccc(C3CC3)cn2)cc1	91366420	DBAWNTMXTAWYKC-UHFFFAOYSA-N	195.265	3.626	0	30	AHAC	
CC1=C(C)[C@H](C)c2ccccc21	101488687	NPXPQDMZVKFLKB-VIFPVBQESA-N	158.244	3.597	0	30	AHAC	
CCCC[C@H](CC)CC[C@H](C)CO	5822069	WIGUFLFEXMLRCT-RYUDHWBXSA-N	186.339	3.611	0	30	AHAC	
CCCCC[C@]12CCC[C@H]1CCO2	38648352	MKNDEHITWQEWCT-RYUDHWBXSA-N	182.307	3.526	0	30	AHAC	
C[C@@H]1C=C(OC(C)(C)C)CCC1	142863187	LNFFARVHBDBDOX-VIFPVBQESA-N	168.280	3.505	0	30	AHAC	
CCCNCCCCCCC(C)C	21009946	NOWPHMVQMCHHOZ-UHFFFAOYSA-N	185.355	3.593	0	30	AHAC	
CC(C)Oc1cccc2ccccc12	36404571	KFSRMUHHVMJRLZ-UHFFFAOYSA-N	186.254	3.627	0	30	AHAC	
Cc1nc2c(C)ccc(Cl)c2s1	45236887	GMMMPBJYRWSSHH-UHFFFAOYSA-N	197.690	3.567	0	30	AHAC	
C1=C[C@H]2c3cccc4cccc(c34)[C@@H]12	104924632	MKRSLSRLZZVPKE-PHIMTYICSA-N	178.234	3.590	0	30	AHAC	
CC12CC3CC(C1)CC(C)(C3)C2F	113382725	BHSZHBAHLPZDCU-UHFFFAOYSA-N	182.282	3.561	0	30	AHAC	
CCC[C@@H](O)[C@@H](C)CCC=C(C)C	33608333	WALJOKOFEWERTJ-NWDGAFQWSA-N	184.323	3.530	0	30	AHAC	
CCCc1ccncc1-c1ccccc1	5139231	MDEOSZGDWLTQLL-UHFFFAOYSA-N	197.281	3.701	0	30	AHAC	
CC/C=C\CCC/C=C/OCC	38647069	QMZAWOWCSLVFKC-GWZUCBFCSA-N	168.280	3.673	0	30	AHAC	
CCCC[C@@](C)(Cl)CCC	104531186	UFUKXCKHTRKNJD-VIFPVBQESA-N	162.704	3.974	0	30	AHAC	
CCCCCCc1ccc(C)cc1O	2007511	DYXAQDSLRRVGHL-UHFFFAOYSA-N	192.302	3.823	0	30	AHAC	
CCCCCC(=S)O[C@@H](C)CC	199629359	BDYWPPLHSJFPOE-VIFPVBQESA-N	188.336	3.709	0	30	AHAC	
CCCCC[C@H]1CCC(C)(C)O1	37625022	MOIIWKQXQYQQQO-JTQLQIEISA-N	170.296	3.524	0	30	AHAC	
C=CCCCCN(C)CCCCC=C	115634402	KFSSXBHRBOJSTI-UHFFFAOYSA-N	195.350	3.631	0	30	AHAC	
CC1=CC=C2C(C)(C)CCC[C@@]2(C)O1	5766881	KYOSLSFHZKIUEM-CYBMUJFWSA-N	192.302	3.816	0	30	AHAC	endogenous,in-man
C=C/C=C/C=C/C/C=C\CC	111852141	JXRWPVZILDJGFO-QVKHCOBZSA-N	148.249	3.641	0	30	AHAC	
CC[C@H](C)c1ccc2ncccc2c1	5140107	AUBLFWWZTFFBNU-JTQLQIEISA-N	185.270	3.748	0	30	AHAC	
CC(C)CCCCCCNCC(C)C	21517954	BINARWUWDSEQSK-UHFFFAOYSA-N	199.382	3.839	0	30	AHAC	
COc1cc(C)c(C=C(C)C)cc1C	39090406	SDVMESZCNNXQGV-UHFFFAOYSA-N	190.286	3.735	0	30	AHAC	
FC(F)(Cl)c1ccc(Cl)cc1	138505981	VIYPSRJNDFJXKF-UHFFFAOYSA-N	197.011	3.628	0	30	AHAC	
C=C(/C=C/[Si](C)(C)C)[Si](C)(C)C	195755590	XEHPOCZZHWITMO-CMDGGOBGSA-N	198.458	3.854	0	30	AHAC	
Cc1cc(Cl)c(S)cc1Cl	144482300	QTBBWAVLSXPJGA-UHFFFAOYSA-N	193.098	3.591	0	30	AHAC	
C=Cc1cccc(C=C)c1C=C	3650893	WVAFEFUPWRPQSY-UHFFFAOYSA-N	156.228	3.616	0	30	AHAC	
CCCC[C@H](CC)OC(C)(C)C	146916830	HFTNUDYDBIEVRK-JTQLQIEISA-N	172.312	3.770	0	30	AHAC	
CCC[C@@H](C)C[C@](C)(O)CC(C)C	33607635	RTGWCORQKNEYIB-VXGBXAGGSA-N	186.339	3.610	0	30	AHAC	
CCCCCC(=S)O[C@H](C)CC	199629367	BDYWPPLHSJFPOE-SECBINFHSA-N	188.336	3.709	0	30	AHAC	
CCC[C@H](C)C[C@@](C)(O)CC(C)C	33607633	RTGWCORQKNEYIB-RYUDHWBXSA-N	186.339	3.610	0	30	AHAC	
C[Si](C)(C)[C@@H]1C=Cc2ccccc21	195755310	DAVVYCRMXOFZQG-GFCCVEGCSA-N	188.346	3.674	0	30	AHAC	
CCCc1ccc(-c2ccccc2)cn1	32167312	BVDPEOPUDQPYDO-UHFFFAOYSA-N	197.281	3.701	0	30	AHAC	
C[Si](C)(C)/C=C/C1=CCCCC1	197315167	AXCMIFMKCSNVNJ-MDZDMXLPSA-N	180.367	3.920	0	30	AHAC	
CC(C)c1ccc(-c2ccccc2)nc1	33608861	ZHJXMVDNGJWXGZ-UHFFFAOYSA-N	197.281	3.872	0	30	AHAC	
CC(C)[C@@H](O)C[C@@H](C)C1CCCCC1	38645991	NFHXEHFWFFRUOY-YPMHNXCESA-N	198.350	3.610	0	30	AHAC	
Cc1ccc(SCC(C)C)cc1	2003120	DLVHVWLLAJMHDY-UHFFFAOYSA-N	180.316	3.743	0	30	AHAC	
c1ccc2c(c1)Oc1cscc1O2	38312641	LMGSINXRBULTRV-UHFFFAOYSA-N	190.223	3.646	0	30	AHAC	
C=C1CCCC(C)(C)[C@@H]1/C=C(\C)C=O	33953497	LLJNTMFCLMRXSC-ZJNQMXKESA-N	192.302	3.514	0	30	AHAC	
CCCCCC[C@H](CN)CCCC	60008553	OOCWTIOGJOIPGS-GFCCVEGCSA-N	185.355	3.722	0	30	AHAC	
C/C=C(\C)[C@@H](C)C(C)(C)C	84403465	PSSMIMCIKZSQIG-FCZSHJHJSA-N	140.270	3.635	0	30	AHAC	
O=Nc1ccc(Oc2ccccc2)cc1	6116055	AFZZWGLJNSCSAH-UHFFFAOYSA-N	199.209	3.877	0	30	AHAC	
CCCCC[C@H](C)NC1CCCCC1	19979084	LAOITWQWJJDLQA-LBPRGKRZSA-N	197.366	3.878	0	30	AHAC	
Cc1ccc2c(c1)oc1ccccc12	5782185	JBFNQSFELCVNBC-UHFFFAOYSA-N	182.222	3.894	0	30	AHAC	
CC[Si](C)(C)/C=C/[Si](C)(C)C	195808412	KBYZTVUNYFJYMY-CMDGGOBGSA-N	186.447	3.688	0	30	AHAC	
CCCCC[C@@H](C)OC(=S)CC	96330739	WWBZHNIHYBBDKD-SECBINFHSA-N	188.336	3.709	0	30	AHAC	
C=Cc1ccc(Cl)cc1Cl	2038875	OMNYXCUDBQKCMU-UHFFFAOYSA-N	173.042	3.636	0	30	AHAC	
CC(C)=C1C2=CC=CC=C1[C@H]1C=C[C@H]21	136895198	PWKLEECGDWLDIS-QWRGUYRKSA-N	182.266	3.561	0	30	AHAC	
CCCC[C@@H](CC)OC(C)(C)C	146916668	HFTNUDYDBIEVRK-SNVBAGLBSA-N	172.312	3.770	0	30	AHAC	
CCC(=O)[C@H](C)[C@H](C)C1CCCCC1	38656811	BDIBAMAHAOIPBY-WDEREUQCSA-N	196.334	3.818	0	30	AHAC	
CCC(C)(C)C1CCC(CCO)CC1	34427895	LXOBBTDHWPGKFV-UHFFFAOYSA-N	198.350	3.611	0	30	AHAC	in-vitro
CC(C)Oc1ccc2ccccc2c1	1726429	VTIIVLSJEXKCQD-UHFFFAOYSA-N	186.254	3.627	0	30	AHAC	
Clc1ccc(OCCC2CC2)cc1	83940676	SGGJKYITBYSGJG-UHFFFAOYSA-N	196.677	3.519	0	30	AHAC	
CCCCC[C@@H](C)NC1CCCCC1	19979080	LAOITWQWJJDLQA-GFCCVEGCSA-N	197.366	3.878	0	30	AHAC	
CC(C)CC(Cl)=C(Cl)Cl	96341649	CBODMCOWCKGSMR-UHFFFAOYSA-N	187.497	3.918	0	30	AHAC	
O=C(CC1CCCC1)CC1CCCC1	140103185	DCYKPUFYBVECCR-UHFFFAOYSA-N	194.318	3.716	0	30	AHAC	
CC1=C[C@H](C)[C@@H](C(=O)C(C)(C)C)CC1	6037290	ALXMEIMLYKTBHU-QWRGUYRKSA-N	194.318	3.594	0	30	AHAC	
CCCC[C@@H](C)OC1CCCC1	39111846	CKQHQAUIQIACBQ-SNVBAGLBSA-N	170.296	3.524	0	30	AHAC	
C=Cc1cc2ccccc2s1	116540021	UEPFNQXGOLWTAD-UHFFFAOYSA-N	160.241	3.544	0	30	AHAC	
CC(C)c1ccc(C(C)C)c(N)c1	34558032	NBIUVZLUCMDFPH-UHFFFAOYSA-N	177.291	3.516	0	30	AHAC	in-vitro
CCSCCCCCSCC	32223980	OHQCQYMEDAANNT-UHFFFAOYSA-N	192.393	3.663	0	30	AHAC	
CCC[C@@H](C)C[C@@](C)(O)CC(C)C	33607631	RTGWCORQKNEYIB-NEPJUHHUSA-N	186.339	3.610	0	30	AHAC	
CC(C)(C)c1ccc(F)cc1Cl	114621916	WIYHZQLCSLPYLD-UHFFFAOYSA-N	186.657	3.777	0	30	AHAC	
CC[C@H](C)C(C)(C)c1ccc(O)cc1	147979696	RLWQHAIXLMFQPL-JTQLQIEISA-N	192.302	3.716	0	30	AHAC	
CCCCC[C@]12CCC[C@@H]1CCO2	38648348	MKNDEHITWQEWCT-NEPJUHHUSA-N	182.307	3.526	0	30	AHAC	
CC(C)C1=CC=C[C@H]2CCC[C@@H]12	95923535	BHHLUTJBCGPXTM-CMPLNLGQSA-N	162.276	3.555	0	30	AHAC	
CC[C@H]1CC[C@H](C(F)(F)F)CC1	261300763	IDGKDUVJCWVLEI-ZKCHVHJHSA-N	180.213	3.765	0	30	AHAC	
C=C1CCCC(C)(C)[C@H]1/C=C(\C)C=O	33953498	LLJNTMFCLMRXSC-OANVXVOSSA-N	192.302	3.514	0	30	AHAC	
CCCC[C@H](CC)COC(C)C	33637359	GQQHEKOOHGFEED-NSHDSACASA-N	172.312	3.628	0	30	AHAC	
CCCCC[C@@]12CCC[C@H]1CCO2	38648350	MKNDEHITWQEWCT-NWDGAFQWSA-N	182.307	3.526	0	30	AHAC	
C1=C[C@H]2C[C@H]1[C@@H]1C=C(c3ccccc3)[C@H]12	100212548	VCBXHVZTTMMAIK-NZBPQXDJSA-N	194.277	3.522	0	30	AHAC	
CCCC[C@H](C)OC1CCCC1	39111847	CKQHQAUIQIACBQ-JTQLQIEISA-N	170.296	3.524	0	30	AHAC	
CCC/C=C/CC(=O)c1ccccc1	21991015	ZWJDHIGCJPTBHR-XBXARRHUSA-N	188.270	3.616	0	30	AHAC	
CC1(Cl)CCCCCCC1	111884182	YXBVMMBBECLXQE-UHFFFAOYSA-N	160.688	3.728	0	30	AHAC	
CC(C)=CCC[C@@](C)(O)CCC(C)C	33608369	XNWZTHGGEVXZCM-CYBMUJFWSA-N	198.350	3.920	0	30	AHAC	
CC(C)[C@@H](O)C[C@H](C)C1CCCCC1	38645998	NFHXEHFWFFRUOY-AAEUAGOBSA-N	198.350	3.610	0	30	AHAC	
C=COC(=O)C(C)(C)CCC(C)(C)C	33607717	KHRVSSXNHCFXGA-UHFFFAOYSA-N	198.306	3.526	0	30	AHAC	
C=CSCCC[Si](C)(C)C	195772881	VXOAPUIMMKQAFU-UHFFFAOYSA-N	174.385	3.591	0	30	AHAC	
CCC(=O)[C@H](C)[C@@H](C)C1CCCCC1	38656807	BDIBAMAHAOIPBY-GHMZBOCLSA-N	196.334	3.818	0	30	AHAC	
Cc1cncc(SC(C)(C)C)c1C	32177964	NKEYQJJYGCIRKM-UHFFFAOYSA-N	195.331	3.589	0	30	AHAC	
CCCC[C@@H](CC)CC[C@@H](C)CO	5821748	WIGUFLFEXMLRCT-VXGBXAGGSA-N	186.339	3.611	0	30	AHAC	
Oc1ccccc1C=Cc1ccccc1	2265228145	AYPZAZPOYROADP-UHFFFAOYSA-N	196.249	3.563	0	30	AHAC	
CCCCC/C=C/C=C/[C@@H]1CS1	38171740	BZDBQPPCPHHOCH-RUVHZOEGSA-N	182.332	3.795	0	30	AHAC	
CCCCC[C@@]12CCC[C@@H]1CCO2	38648346	MKNDEHITWQEWCT-VXGBXAGGSA-N	182.307	3.526	0	30	AHAC	
[C-]#[N+]c1ccc(CCCC)cc1	100102378	JAWVCUNWTMNOOS-UHFFFAOYSA-N	159.232	3.580	0	30	AHAC	
O=Nc1ccc(-c2ccccc2)cc1	5934570	LLRWRZXFCFYZCL-UHFFFAOYSA-N	183.210	3.752	0	30	AHAC	in-vitro
CCCCCC[C@H](O)c1ccccc1	1694761	UAJVCELPUNHGKE-ZDUSSCGKSA-N	192.302	3.690	0	30	AHAC	
Cc1ccc2ccccc2c1Cl	1760820	MNCMVFFWMBXFLK-UHFFFAOYSA-N	176.646	3.802	0	30	AHAC	
C[C@H]1C=C(OC(C)(C)C)CCC1	142862997	LNFFARVHBDBDOX-SECBINFHSA-N	168.280	3.505	0	30	AHAC	
CCc1cc2cc(Cl)ccc2o1	39190303	AKSTZTXWHQYVDW-UHFFFAOYSA-N	180.634	3.649	0	30	AHAC	
CCCC[C@](C)(Cl)CCC	104531181	UFUKXCKHTRKNJD-SECBINFHSA-N	162.704	3.974	0	30	AHAC	
CC(C)CCSc1cccs1	79160325	LHWBUEZKWVQPGW-UHFFFAOYSA-N	186.345	3.886	0	30	AHAC	
CC(C)Cc1ccc(O)c(C(C)C)c1	33610843	BPNNRHSEXOXXJY-UHFFFAOYSA-N	192.302	3.714	0	30	AHAC	
c1ccc2c3c(sc2c1)CCCC3	5518030	JCLPOPNXITXHOR-UHFFFAOYSA-N	188.295	3.780	0	30	AHAC	
Cc1cc(C(C)C)c(O)cc1C(C)C	6069801	UJBZHJNVIHOWFA-UHFFFAOYSA-N	192.302	3.947	0	30	AHAC	endogenous,in-man
CCCCC[C@H](C)OC(=S)CC	96330740	WWBZHNIHYBBDKD-VIFPVBQESA-N	188.336	3.709	0	30	AHAC	
CC/C=C(\Cl)c1ccc(F)cc1	111894048	OUQCWPVYGZTVOD-KMKOMSMNSA-N	184.641	3.815	0	30	AHAC	
[C-]#[N+]c1ccc([C@H](C)CC)cc1	100224235	MDTUGHYKTUOJLR-SECBINFHSA-N	159.232	3.751	0	30	AHAC	
CC1=C([Si](C)(C)C)C=CC1(C)C	195805797	PSQIUDSCVQRSRN-UHFFFAOYSA-N	180.367	3.776	0	30	AHAC	
Cc1ccc(C(C)C)c(O)c1C(C)C	6070723	KEGGEHPMMDYTGB-UHFFFAOYSA-N	192.302	3.947	0	30	AHAC	endogenous,in-man
CCCCC/C=C\C/C=C/CCCO	14771600	RJYCGBIUZZJVLQ-IXWMQOLASA-N	196.334	3.842	0	30	AHAC	
Cc1cc2sccc2c(Cl)c1O	307578159	REPDKHSVKDPUCX-UHFFFAOYSA-N	198.674	3.569	0	30	AHAC	
Fc1ccc(/C=C/c2ccccc2)cc1	71260668	LVDRRTRBRXDRIP-VOTSOKGWSA-N	198.240	3.996	0	30	AHAC	
CC[C@H](C)c1cccc2c1NCCC2	33608111	LGODJGHQMMHAHW-JTQLQIEISA-N	189.302	3.558	0	30	AHAC	
C1=C[C@H]2c3cccc4cccc(c34)[C@H]12	104924637	MKRSLSRLZZVPKE-GHMZBOCLSA-N	178.234	3.590	0	30	AHAC	
CCc1ccc(CCC(C)C)s1	32153155	XLOWTVPQOMUMSB-UHFFFAOYSA-N	182.332	3.899	0	30	AHAC	
CCC[C@@H](O)[C@H](C)CCC=C(C)C	33608336	WALJOKOFEWERTJ-VXGBXAGGSA-N	184.323	3.530	0	30	AHAC	
CCCC[C@H](CC)CC[C@@H](C)CO	5822067	WIGUFLFEXMLRCT-NEPJUHHUSA-N	186.339	3.611	0	30	AHAC	
CC[C@@H](C)c1ccc2ncccc2c1	5140002	AUBLFWWZTFFBNU-SNVBAGLBSA-N	185.270	3.748	0	30	AHAC	
Clc1cc2cccc(Cl)c2cn1	116065222	MZTDDGSXLMDFKB-UHFFFAOYSA-N	198.052	3.542	0	30	AHAC	
CC[C@@H](C)C(C)(C)c1ccc(O)cc1	147979485	RLWQHAIXLMFQPL-SNVBAGLBSA-N	192.302	3.716	0	30	AHAC	
CC[C@H](C)C(=O)[C@@H]1CCCC[C@H]1CC	82658275	DRWWUHWFNXBORJ-QJPTWQEYSA-N	196.334	3.818	0	30	AHAC	
Cc1cc(C)c(O)c(-c2ccccc2)c1	39119198	ZIXTUODBTCADKZ-UHFFFAOYSA-N	198.265	3.676	0	30	AHAC	
CC1=C(C)[C@@H](C)c2ccccc21	101488688	NPXPQDMZVKFLKB-SECBINFHSA-N	158.244	3.597	0	30	AHAC	
CN1c2ccccc2Nc2ccccc21	5140926	XZPNVGKRRGOOMS-UHFFFAOYSA-N	196.253	3.512	0	30	AHAC	in-vitro
Cc1c(C(C)C)ccc(O)c1C(C)C	6069019	NAOSNNNYJHAZGY-UHFFFAOYSA-N	192.302	3.947	0	30	AHAC	endogenous,in-man
CCOC/C=C(\C)CCC=C(C)C	2007329	LOUIMJFJROISMD-FMIVXFBMSA-N	182.307	3.716	0	30	AHAC	
CC1=CCC(Cc2ccccc2)=C1	96330819	UYDFRXOJNZGRBH-UHFFFAOYSA-N	170.255	3.506	0	30	AHAC	
CC(C)(C)C=C1CCCC1	104392831	UCTNSYPJLIEZKK-UHFFFAOYSA-N	138.254	3.533	0	30	AHAC	
CCC(C)(CC)c1ccc(O)c(C)c1	1655703	YAHLKNBZQFSSCY-UHFFFAOYSA-N	192.302	3.778	0	30	AHAC	in-vitro
Clc1csc(Cl)c1Cl	6091062	OVXHWSNIIKNEQD-UHFFFAOYSA-N	187.478	3.708	0	30	AHAC	
CC[C@@H](O)CC(C)(C)C1CCCCC1	5925548	IXIFHBNAXLFBCN-GFCCVEGCSA-N	198.350	3.754	0	30	AHAC	
Cc1ccc(-c2ccccc2)c(C)c1O	116406048	BILVIMICBJCGQC-UHFFFAOYSA-N	198.265	3.676	0	30	AHAC	
CCCCCC=C(C)C	2564109	YBOZNTGUYASNRA-UHFFFAOYSA-N	126.243	3.533	0	30	AHAC	
c1cc2c(ccc3scnc32)s1	45238252	FZNHTAGYQNWTKY-UHFFFAOYSA-N	191.280	3.511	0	30	AHAC	
C=C=C(c1ccccc1)C(C)C	104398112	SPKQMFLFHQZXCH-UHFFFAOYSA-N	158.244	3.511	0	30	AHAC	
C1=C[C@H]2C[C@H]1[C@@H]1C(c3ccccc3)=C[C@@H]12	100212551	VCBXHVZTTMMAIK-DDHJSBNISA-N	194.277	3.522	0	30	AHAC	
CCC(=O)[C@@H]1C[C@@H](C)CC=C1C(C)C	111896006	WQTULNIVXGGNNJ-CMPLNLGQSA-N	194.318	3.594	0	30	AHAC	
CC[C@H](O)CC(C)(C)C1CCCCC1	5922834	IXIFHBNAXLFBCN-LBPRGKRZSA-N	198.350	3.754	0	30	AHAC	
CC(C)=CCC[C@H](C)CCC[C@H](C)O	33611443	FMVQVNCSZAWHFS-STQMWFEESA-N	198.350	3.920	0	30	AHAC	
CCCCC1(N2CCCC2)CCCC1	39112490	MLLPVGACHAAIDQ-UHFFFAOYSA-N	195.350	3.585	0	30	AHAC	
CCN(c1ccccc1)c1ccccc1	2173324	ITMSSZATZARZCA-UHFFFAOYSA-N	197.281	3.845	0	30	AHAC	
C1=C2CCCC[C@H]2Cc2ccccc21	59023052	ARPANWHHRGVXBN-AWEZNQCLSA-N	184.282	3.816	0	30	AHAC	
CCCCC/C=C/C=C/[C@H]1CS1	38171741	BZDBQPPCPHHOCH-LYQBILPKSA-N	182.332	3.795	0	30	AHAC	
CC(C)(Cl)CCc1ccccc1	111342391	GCAZETCXAVCJCN-UHFFFAOYSA-N	182.694	3.637	0	30	AHAC	
CC/C(C)=C/C(C)(C)CC	1846711	LREOTMWEDRBPMG-CMDGGOBGSA-N	140.270	3.779	0	30	AHAC	
CCC[C@H](O)[C@H](C)CCC=C(C)C	33608337	WALJOKOFEWERTJ-NEPJUHHUSA-N	184.323	3.530	0	30	AHAC	
CC(C)C1=Cc2c(Cl)cccc2C1	90764725	VDFIGYCUOGDOPV-UHFFFAOYSA-N	192.689	3.936	0	30	AHAC	
CC[C@H](C)c1cccc2cccnc12	5925521	UNHPNXMTAQYTRG-JTQLQIEISA-N	185.270	3.748	0	30	AHAC	
CC(C)C1=C(c2ccccc2)CC1	90764698	CNOWCTPMFRPYJT-UHFFFAOYSA-N	172.271	3.890	0	30	AHAC	
CC(C)N(CC1CCCCC1)C(C)C	104154883	LRPGWPGSWJYFTP-UHFFFAOYSA-N	197.366	3.686	0	30	AHAC	
CC(C)=CCC/C(C)=C/CCC(=O)O	38613914	HPOYZGTYWKRTPU-DHZHZOJOSA-N	196.290	3.544	0	30	AHAC	
Clc1ccc2cnc(Cl)cc2c1	236047229	WSZOXHNDDYCRLC-UHFFFAOYSA-N	198.052	3.542	0	30	AHAC	
CCc1cc2cc(C)ccc2s1	32200633	FUHSVKSNUCZRQQ-UHFFFAOYSA-N	176.284	3.772	0	30	AHAC	
[C-]#[N+]c1ccc([C@@H](C)CC)cc1	100224236	MDTUGHYKTUOJLR-VIFPVBQESA-N	159.232	3.751	0	30	AHAC	
Cc1cccc(-c2cccs2)c1	16945843	SMKMXVCNNASZEB-UHFFFAOYSA-N	174.268	3.724	0	30	AHAC	
CC(C)(C)[C@@H]1CCC[C@@H](C(C)(C)C)N1	5354167	ZOYHTWUFFGGARK-QWRGUYRKSA-N	197.366	3.589	0	30	AHAC	
CC/C(C)=C/C=C/C(C)(C)CC(C)=O	5761766	VPZYONTUNFBDMF-BIZFVBGRSA-N	194.318	3.904	0	30	AHAC	
Fc1ccc(-c2ccccc2)cc1F	95635476	PJJANBBRYLUXRA-UHFFFAOYSA-N	190.192	3.632	0	30	AHAC	
C1=C[C@H]2C[C@H]1[C@@H]1C=C(c3ccccc3)[C@@H]12	100212553	VCBXHVZTTMMAIK-JURCDPSOSA-N	194.277	3.522	0	30	AHAC	
CC/C=C\CCOCc1ccccc1	201871385	PCHRJGRKKJOULQ-ARJAWSKDSA-N	190.286	3.560	0	30	AHAC	
CCC(=O)[C@H]1C[C@@H](C)CC=C1C(C)C	33607945	WQTULNIVXGGNNJ-JQWIXIFHSA-N	194.318	3.594	0	30	AHAC	
C[C@@H]1CC(C)(C)Nc2cc(F)ccc21	95829532	YSWZQEZZAZXWAM-MRVPVSSYSA-N	193.265	3.523	0	30	AHAC	
COc1c(Cl)ccc2ccsc12	238393115	GWDXVOPMTSTDOM-UHFFFAOYSA-N	198.674	3.563	0	30	AHAC	
CC(C)(C)[C@H]1CCC[C@H](C(C)(C)C)N1	5354695	ZOYHTWUFFGGARK-GHMZBOCLSA-N	197.366	3.589	0	30	AHAC	
CC(C)=C1C2=CC=CC=C1[C@@H]1C=C[C@@H]21	136895280	PWKLEECGDWLDIS-GHMZBOCLSA-N	182.266	3.561	0	30	AHAC	
CCCC(Cl)(Cl)CCC	59058995	DLEUJDNDBMGGLN-UHFFFAOYSA-N	169.095	3.761	0	30	AHAC	
CC1CCC(C(C)(C)C[C@H](C)O)CC1	5767820	LHABIGFBCKFBML-CXQJBGSLSA-N	198.350	3.610	0	30	AHAC	
C1=C[C@@H]2c3cccc4cccc(c34)[C@@H]12	104924628	MKRSLSRLZZVPKE-QWRGUYRKSA-N	178.234	3.590	0	30	AHAC	
CCc1cccc2nc(Cl)sc12	2265385126	DYBIIJZXYSOONR-UHFFFAOYSA-N	197.690	3.512	0	30	AHAC	
CC(/C=C/C(C)=C/Cl)=C\Cl	136954176	NVQKJHAZAGIHHD-OKWWDJPNSA-N	177.074	3.828	0	30	AHAC	
C1=C2CCCC[C@@H]2Cc2ccccc21	59023057	ARPANWHHRGVXBN-CQSZACIVSA-N	184.282	3.816	0	30	AHAC	
C/C=C/C[C@]1(C)CC[C@@H](C(C)C)C1=O	39112365	JLQAPIHTUXUZRB-LRLQIDNFSA-N	194.318	3.594	0	30	AHAC	
O=Nc1ccc2c(c1)Cc1ccccc1-2	31622551	XZWGJDANCSXBDW-UHFFFAOYSA-N	195.221	3.656	0	30	AHAC	
CCC(=O)/C(C)=C/[C@@H]1CC=C(C)CC1	44710418	NSPDRVIQAXARPO-LMMOQWNQSA-N	192.302	3.658	0	30	AHAC	
CCCCCCc1ccc(C)nc1	32155551	CVQOAKGVDNOWHA-UHFFFAOYSA-N	177.291	3.513	0	30	AHAC	
CC1=C[C@H](C)[C@H](C(=O)C(C)(C)C)CC1	6037295	ALXMEIMLYKTBHU-WDEREUQCSA-N	194.318	3.594	0	30	AHAC	
Cc1cc2cc(C(C)C)ccc2[nH]1	71494922	ZZABNZLLIORENK-UHFFFAOYSA-N	173.259	3.600	0	30	AHAC	
C(=C\c1cccs1)\c1ccccc1	31426684	DPAPGSNLWBQIGV-HJWRWDBZSA-N	186.279	3.919	0	30	AHAC	
CC(C)c1cccc(O)c1C(C)C	34307612	ZEFOXNBIQIPHOP-UHFFFAOYSA-N	178.275	3.639	0	30	AHAC	
Cc1c(Cl)sc2ccccc12	2510201	ZJVIZYHPXKIOBB-UHFFFAOYSA-N	182.675	3.863	0	30	AHAC	
C(=C/c1cccs1)\c1ccco1	33846322	WPPPLLPIELPEOT-AATRIKPKSA-N	176.240	3.512	0	30	AHAC	
CC(C)=C1C2=CC=CC=C1[C@@H]1C=C[C@H]21	136895231	PWKLEECGDWLDIS-PHIMTYICSA-N	182.266	3.561	0	30	AHAC	
CC(C)(C)/C=C/C(C)(C)C	2528307	UYWLQEPMPVDASH-BQYQJAHWSA-N	140.270	3.635	0	30	AHAC	
CN(C1=CCCCC1)c1ccccc1	100056462	GNROSMHJEUZVFQ-UHFFFAOYSA-N	187.286	3.581	0	30	AHAC	
CC[C@H](C)C(=O)[C@H]1CCCC[C@@H]1CC	82658274	DRWWUHWFNXBORJ-SRVKXCTJSA-N	196.334	3.818	0	30	AHAC	
CC[C@@H](C)c1cccc2cccnc12	5922810	UNHPNXMTAQYTRG-SNVBAGLBSA-N	185.270	3.748	0	30	AHAC	
CCCCC[C@]12CC[C@](O)(CC1)CC2	2265340044	GXILFILMRJBMSD-JOCQHMNTSA-N	196.334	3.652	0	30	AHAC	
CCC(=O)c1cc(C(C)C)ccc1C	38635945	ITZRSUKOUHROOX-UHFFFAOYSA-N	190.286	3.711	0	30	AHAC	
C=C[C@H](C)[C@@H](C)c1ccccc1	143613329	NAAPDMCWFLYJDA-WDEREUQCSA-N	160.260	3.612	0	30	AHAC	
CCCC[C@H](CC)CC(=O)CC	43456215	KAOJOMUTIDDDOQ-JTQLQIEISA-N	170.296	3.572	0	30	AHAC	
CCC(=O)[C@@H](C)[C@H](C)C1CCCCC1	38656809	BDIBAMAHAOIPBY-QWRGUYRKSA-N	196.334	3.818	0	30	AHAC	
CC(=O)CC=C=C(C)CCC=C(C)C	5158664	KLTSFSBBACTSHL-UHFFFAOYSA-N	192.302	3.813	0	30	AHAC	
C=C(Cl)C(Cl)=C(Cl)Cl	2040189	RCBKHVTUYAGMLB-UHFFFAOYSA-N	191.872	3.624	0	30	AHAC	
C/C(Br)=C\CCC(C)C	98213337	SRLBJWFUTOKIDK-SOFGYWHQSA-N	191.112	3.721	0	30	AHAC	
CCCCC/C=C1\CCCCC1=O	5510354	VDZBUTVYLIWRCT-DHZHZOJOSA-N	180.291	3.636	0	30	AHAC	
CCCCP(CCCC)OC	96334142	MOSGKQHVIIYOJN-UHFFFAOYSA-N	176.240	3.630	0	30	AHAC	
C1=C\CCCc2ccc(cc2)CCC/1	96334881	FGKPGTMPKFMBDZ-UPHRSURJSA-N	186.298	3.902	0	30	AHAC	
CCCCC[C@@H]1CCC(C)(C)O1	37625021	MOIIWKQXQYQQQO-SNVBAGLBSA-N	170.296	3.524	0	30	AHAC	
CCCCOP(C)OCCCC	34139907	JZVMQGJXQXMDHF-UHFFFAOYSA-N	192.239	3.562	0	30	AHAC	
C=Cc1ccccc1-c1ccccc1	111461523	XIRPMPKSZHNMST-UHFFFAOYSA-N	180.250	3.997	0	30	AHAC	
COc1ccc(-c2ccccc2C)cc1	16947379	GNYJFZNIMOMCCF-UHFFFAOYSA-N	198.265	3.671	0	30	AHAC	
CC(C)CCCC1CCC(=O)CC1	142827996	MRMCVCAJVDSTBJ-UHFFFAOYSA-N	182.307	3.572	0	30	AHAC	
C=COC(=O)CCCCCCC(C)C	5757949	GADGVXXJJXQRSA-UHFFFAOYSA-N	198.306	3.670	0	30	AHAC	
CC(C)c1cnc(Cl)cc1Cl	238173856	IHTRMUMBLQKTGV-UHFFFAOYSA-N	190.073	3.512	0	30	AHAC	
CC(C)[C@H]1C=Nc2ccc(Cl)cc21	725354039	MMCFCSAXRJUYEX-SNVBAGLBSA-N	193.677	3.796	0	30	AHAC	
C=Cc1ccc2c(c1)[nH]c1ccccc12	83253091	JJEJACZBVVTDIH-UHFFFAOYSA-N	193.249	3.964	0	30	AHAC	
CC/C=C/CSC/C=C/CC	263584209	MPCDPVOFJRZVER-KQQUZDAGSA-N	170.321	3.652	0	30	AHAC	
OCCCCCCCCCC1CC1	34303607	WBLQPVYQPZDBHS-UHFFFAOYSA-N	184.323	3.510	0	30	AHAC	
Cc1cc(C2CCCCC2)ccc1N	33487383	SLMYAIGAJWJBKI-UHFFFAOYSA-N	189.302	3.625	0	30	AHAC	
CCCC(=O)[C@H]1C(C)=CCCC1(C)C	5819667	DQPRWWZFNOOABK-GFCCVEGCSA-N	194.318	3.738	0	30	AHAC	
C1=Cc2c(ccc3ccccc23)CC1	81145138	DYHJTAONEPZTCO-UHFFFAOYSA-N	180.250	3.799	0	30	AHAC	
Cc1c(C(C)(C)C)[nH]c2ccccc12	196825180	HEBXIBZQLTVDFW-UHFFFAOYSA-N	187.286	3.774	0	30	AHAC	
CC(C)(C)OC1=C[C@H]2CC[C@@H](C1)C2	142712392	QGXDKNRZDGKFCG-VHSXEESVSA-N	180.291	3.505	0	30	AHAC	
CC1=C(OC(C)(C)C)CCCC1	2007045	WNOSRZVDBAROLB-UHFFFAOYSA-N	168.280	3.650	0	30	AHAC	
CC(=O)C(C)(C)CC1CCCCC1	33611295	MQIJHKKGQRWBMT-UHFFFAOYSA-N	182.307	3.572	0	30	AHAC	
c1cc2cc3scnc3cc2s1	45236225	BHGBVROSEZESST-UHFFFAOYSA-N	191.280	3.511	0	30	AHAC	
CC1=C[C@@H](C)[C@@H](C(=O)C(C)(C)C)CC1	6030567	ALXMEIMLYKTBHU-MNOVXSKESA-N	194.318	3.594	0	30	AHAC	
C1=C(Oc2ccccc2)CCCC1	34213917	YQBRJWGMIPWMTK-UHFFFAOYSA-N	174.243	3.523	0	30	AHAC	
CCC[C@H](C)C[C@](C)(O)CC(C)C	33607636	RTGWCORQKNEYIB-NWDGAFQWSA-N	186.339	3.610	0	30	AHAC	
CCC(=Cc1ccccc1)CC	59111413	DDBYLRWHHCWVID-UHFFFAOYSA-N	160.260	3.890	0	30	AHAC	
CC[C@H](C)c1ccc2c(c1)CCCN2	19802992	SGEUVWGCLKXHFC-JTQLQIEISA-N	189.302	3.558	0	30	AHAC	
C=C/C(C)=C/CC(C)(C)C(=O)C(C)C	33955237	TWJFINAHYOYYOB-DHZHZOJOSA-N	194.318	3.760	0	30	AHAC	
C=C[C@H](C)[C@H](C)c1ccccc1	143613552	NAAPDMCWFLYJDA-QWRGUYRKSA-N	160.260	3.612	0	30	AHAC	
Cc1ccc(N(C(C)C)C(C)C)cc1	5419794	YHAUWIDCXVQMPN-UHFFFAOYSA-N	191.318	3.618	0	30	AHAC	
C[C@H]1CC(C)(C)Nc2cc(F)ccc21	95829534	YSWZQEZZAZXWAM-QMMMGPOBSA-N	193.265	3.523	0	30	AHAC	
C/C=C/c1cccc(C(F)(F)F)c1	96331069	OUZWHCIDWBRHFD-DUXPYHPUSA-N	186.176	3.739	0	30	AHAC	
Sc1cccc2cccc(Cl)c12	33605095	YICMQGKNGMHCIU-UHFFFAOYSA-N	194.686	3.782	0	30	AHAC	
CC(C)=CCC[C@@H](C)CCC[C@H](C)O	33611445	FMVQVNCSZAWHFS-OLZOCXBDSA-N	198.350	3.920	0	30	AHAC	
c1ccc2c(C3CCCC3)c[nH]c2c1	104462215	CODQEEVNEGRRSZ-UHFFFAOYSA-N	185.270	3.826	0	30	AHAC	
CCCCCC(C)(C)/C=C/C(C)=O	38647600	FEDALTYBCNYVKG-CSKARUKUSA-N	182.307	3.738	0	30	AHAC	
CC1=C[C@@H](C)[C@H](C(=O)C(C)(C)C)CC1	6030572	ALXMEIMLYKTBHU-GHMZBOCLSA-N	194.318	3.594	0	30	AHAC	
CCC[C@H](O)[C@@H](C)CCC=C(C)C	33608335	WALJOKOFEWERTJ-RYUDHWBXSA-N	184.323	3.530	0	30	AHAC	
CC[C@H](C)C(=O)[C@@H]1CCCC[C@@H]1CC	82658276	DRWWUHWFNXBORJ-SDDRHHMPSA-N	196.334	3.818	0	30	AHAC	
CCCc1cccc([C@@H](C)CC)c1O	28767163	DASIOEIBURQFMM-JTQLQIEISA-N	192.302	3.858	0	30	AHAC	
c1ccc2c(c1)ccc1occc12	2040913	MFMVRILBADIIJO-UHFFFAOYSA-N	168.195	3.586	0	30	AHAC	
CCC(=O)[C@H]1C[C@H](C)CC=C1C(C)C	33607949	WQTULNIVXGGNNJ-PWSUYJOCSA-N	194.318	3.594	0	30	AHAC	
CC(C)[C@H](O)C[C@@H](C)C1CCCCC1	38645987	NFHXEHFWFFRUOY-DGCLKSJQSA-N	198.350	3.610	0	30	AHAC	
CCCCCCSC(C)C	32163072	AZRYPBPEFHGTEL-UHFFFAOYSA-N	160.326	3.708	0	30	AHAC	
CC(C)[C@@H]1C=Nc2ccc(Cl)cc21	725354035	MMCFCSAXRJUYEX-JTQLQIEISA-N	193.677	3.796	0	30	AHAC	
CC1=CC=C2C(C)(C)CCC[C@]2(C)O1	5766879	KYOSLSFHZKIUEM-ZDUSSCGKSA-N	192.302	3.816	0	30	AHAC	endogenous,in-man
CCSC1(SCC)CCCC1	39112068	UPZBGQRDCBSGSQ-UHFFFAOYSA-N	190.377	3.763	0	30	AHAC	
Cc1cc(Cl)c2ccccc2c1	82038429	FVWGPYXKBKTNEC-UHFFFAOYSA-N	176.646	3.802	0	30	AHAC	
CC(C)[C@H](O)C[C@H](C)C1CCCCC1	38645994	NFHXEHFWFFRUOY-WCQYABFASA-N	198.350	3.610	0	30	AHAC	
C/C=C(\C)[C@H](C)C(C)(C)C	84403466	PSSMIMCIKZSQIG-FLOXNTQESA-N	140.270	3.635	0	30	AHAC	
CCCCCC[C@@H](O)c1ccccc1	2043538	UAJVCELPUNHGKE-CYBMUJFWSA-N	192.302	3.690	0	30	AHAC	
C/C=C/CCc1ccccc1C	2583606	NKEQCTWCOZGWSY-ONEGZZNKSA-N	160.260	3.504	0	30	AHAC	
CCCC[C@@H](CC)COC(C)C	33637358	GQQHEKOOHGFEED-LLVKDONJSA-N	172.312	3.628	0	30	AHAC	
COc1ccc2cccc(Cl)c2c1	95751915	JDSWHTLMVDIJJD-UHFFFAOYSA-N	192.645	3.502	0	30	AHAC	
CC(C)(C)[C@@H]1CCC[C@H](C(C)(C)C)N1	5354142	ZOYHTWUFFGGARK-PHIMTYICSA-N	197.366	3.589	0	30	AHAC	
Clc1cccc(OC2CCCC2)c1	82865269	DPMYSFVPEQPPFL-UHFFFAOYSA-N	196.677	3.661	0	30	AHAC	
CCCc1ccc(CC(C)C)s1	32179177	XQFLEBIYNAYQLD-UHFFFAOYSA-N	182.332	3.899	0	30	AHAC	
CC(C)c1c[nH]c2ccc(Cl)cc12	148302767	AOODTQMDCVJOCB-UHFFFAOYSA-N	193.677	3.945	0	30	AHAC	
CC(C)CCCCC[C@@H]1CCCC1=O	98090205	MCQBMVHGBMKXGO-GFCCVEGCSA-N	196.334	3.962	0	30	AHAC	
CCCC(=O)[C@@H]1C(C)=CCCC1(C)C	5819662	DQPRWWZFNOOABK-LBPRGKRZSA-N	194.318	3.738	0	30	AHAC	
Cc1ccnc(SC(C)(C)C)c1C	32178395	YGAKHQXVFBXRLH-UHFFFAOYSA-N	195.331	3.589	0	30	AHAC	
C=C(F)c1cc(Cl)cc(Cl)c1	238850695	CQEMRLWVRUWPKM-UHFFFAOYSA-N	191.032	3.934	0	30	AHAC	in-vitro
CCCCCC[C@@H](CN)CCCC	60008556	OOCWTIOGJOIPGS-LBPRGKRZSA-N	185.355	3.722	0	30	AHAC	
Cc1c(C(C)C)cc(N)cc1C(C)C	103016847	GAAYGDKJPSEKOS-UHFFFAOYSA-N	191.318	3.824	0	30	AHAC	
CC(C)=CCC[C@H](C)CCC[C@@H](C)O	33611442	FMVQVNCSZAWHFS-QWHCGFSZSA-N	198.350	3.920	0	30	AHAC	
C=C=C(c1ccccc1)C(C)(C)C	104398468	JWUNBQWEWNQAQO-UHFFFAOYSA-N	172.271	3.901	0	30	AHAC	
Cc1cc(Cl)ccc1NC1CCC1	44480200	WZFSKIUJLWMVHY-UHFFFAOYSA-N	195.693	3.613	0	30	AHAC	
C1=C[C@H]2C[C@H]1[C@H]1C=C(c3ccccc3)[C@H]21	100212557	VCBXHVZTTMMAIK-VIRABCJISA-N	194.277	3.522	0	30	AHAC	
P#C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2	2265293950	PEMKIUPAYNEFGZ-BIBSGERRSA-N	178.215	3.573	0	30	AHAC	
Cc1ccc(C(C)C)cc1Cl	1602332	JVIGKRUGGYKFSL-UHFFFAOYSA-N	168.667	3.772	0	30	AHAC	
CCCc1cccc([C@H](C)CC)c1O	28767164	DASIOEIBURQFMM-SNVBAGLBSA-N	192.302	3.858	0	30	AHAC	
CC(C)c1ccc(C2=CCC2)cc1	59129467	UGNANEBDRJWXPK-UHFFFAOYSA-N	172.271	3.987	0	30	AHAC	
CC[C@H](C)C(=O)[C@H]1CCCC[C@H]1CC	82658273	DRWWUHWFNXBORJ-TUAOUCFPSA-N	196.334	3.818	0	30	AHAC