smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)=CC/C=C(/C)[C@H]1CC=C(C)CC1	59588329	YHBUQBJHSRGZNF-GSHXUFRSSA-N	204.357	5.035	0	30	BKAC	endogenous,in-man
CC(C)(C)C=C(c1ccccc1)c1ccccc1	96328333	FCBHBUSESUYVSI-UHFFFAOYSA-N	236.358	5.164	0	30	BKAC	
CC(C)(C)P([C@H]1C[C@@H]2CC[C@H]1C2)C(C)(C)C	223687039	KLQDTSDJWQAGBD-AGIUHOORSA-N	240.371	5.254	0	30	BKAC	
C/C=C\C1CCC([C@H]2CC[C@H](CC)CC2)CC1	299803515	VPVLGLMCUCWKHU-JGRIJVGOSA-N	234.427	5.585	0	30	BKAC	
CC/C=C\C=C/CCCCCCCCCCO	33841414	GKFQVSXEEVMHMA-OUPQRBNQSA-N	238.415	5.012	0	30	BKAC	in-vitro
CCCC[C@H](CCC)O[C@H](CCC)CCCC	96334659	UIUDVLVFUKMRMP-IYBDPMFKSA-N	242.447	5.721	0	30	BKAC	
CC(C)=CCC/C(C)=C/C[C@@H](C)c1ccncc1	33955070	KULYGLRIZQIANR-WPBGYSLVSA-N	243.394	5.268	0	30	BKAC	
C/C=C(C(=C/C)/c1ccccc1)\c1ccccc1	59593654	VTUNKULRSRAFHV-SCGPFSFSSA-N	234.342	5.193	0	30	BKAC	
C1=C\CCCCCCCCCCCCC/1	95884192	BKUVLGADJFPJRI-UPHRSURJSA-N	208.389	5.628	0	30	BKAC	
C1=CCC2=C(C1)CC1=C(C2)[C@@H]2CC=CC[C@H]2CC1	96333702	SEICIFOZFBSFDJ-SUMWQHHRSA-N	238.374	5.100	0	30	BKAC	
CCCCCCP(C)(=O)CCCCCC	1756230	SXSPHZYWRUCEOB-UHFFFAOYSA-N	232.348	5.140	0	30	BKAC	
Cc1cc(C(C)C)c(C(C)C)c(O)c1C(C)C	33611458	OHWKAUYBGVQXAX-UHFFFAOYSA-N	234.383	5.071	0	30	BKAC	
CC(C)(C)[Si](C)(C)[Si](C)(C)C(C)(C)C	195756833	LPRFMFOJUGMAJA-UHFFFAOYSA-N	230.544	5.082	0	30	BKAC	
CCCC[C@@H](CCC)O[C@H](CCC)CCCC	96334663	UIUDVLVFUKMRMP-HZPDHXFCSA-N	242.447	5.721	0	30	BKAC	
C[Si](C)(C)CCCCCC[Si](C)(C)C	195808026	MRYUZFHUXCUPQI-UHFFFAOYSA-N	230.544	5.223	0	30	BKAC	
C1=CCC2=C(C1)CC1=C(C2)[C@H]2CCCCC2=CC1	96333697	CXIFJTOPSGVTHN-KRWDZBQOSA-N	238.374	5.244	0	30	BKAC	
C1=CCC2=C(C1)CC1=C(C2)[C@H]2CC=CC[C@H]2CC1	96333701	SEICIFOZFBSFDJ-GUYCJALGSA-N	238.374	5.100	0	30	BKAC	
C/C1=C(\C)[C@@H](C)C/C=C\CC/C=C\CC1	100453486	FWASXIQNCSBDAF-WZIBZKCLSA-N	204.357	5.035	0	30	BKAC	
CC(C)(C)P([C@@H]1C[C@@H]2CC[C@H]1C2)C(C)(C)C	223686989	KLQDTSDJWQAGBD-FRRDWIJNSA-N	240.371	5.254	0	30	BKAC	
CC(C)=CCC/C(C)=C\C[C@@H](C)c1ccncc1	5141683	KULYGLRIZQIANR-MVMZHWFQSA-N	243.394	5.268	0	30	BKAC	
Fc1ccc(/C=C/c2cccc3ccccc23)cc1	1048550	DANJUFMMKKUECI-DHZHZOJOSA-N	248.300	5.149	0	30	BKAC	
Cc1ccc(/C(F)=C(\F)c2ccc(C)cc2)cc1	66383348	YDDYUFVEDLBDKF-FOCLMDBBSA-N	244.284	5.068	0	30	BKAC	
CC(C)c1cc(C(C)C)c([C@@H](C)N)c(C(C)C)c1	35091667	CQUUZQSBPYYMRG-CYBMUJFWSA-N	247.426	5.077	0	30	BKAC	
Cc1cc(C)c2c(c1)sc1c(C)c(C)ccc12	1044376	BGBHHOPUOKYSTA-UHFFFAOYSA-N	240.371	5.288	0	30	BKAC	
CC(C)=CC/C=C(\C)[C@@H]1CC=C(C)CC1	59778324	YHBUQBJHSRGZNF-KEQVLUGWSA-N	204.357	5.035	0	30	BKAC	in-vitro
CCC/C=C/C=C\CCCCCCCCCO	15273980	CIVIWCVVOFNUST-DEQVHDEQSA-N	238.415	5.012	0	30	BKAC	in-vivo
C1=CCC2=C(C1)CC1=C(C2)[C@H]2CC=CC[C@@H]2CC1	96333699	SEICIFOZFBSFDJ-DYVFJYSZSA-N	238.374	5.100	0	30	BKAC	
CC(C)(C)C(C)(C)SC(C)(C)C(C)(C)C	202627154	IVEBSMCBKQBVHT-UHFFFAOYSA-N	230.461	5.369	0	30	BKAC	
CC(/C=C/c1ccccc1)=C\C=C\c1ccccc1	63607827	OLHACTBVVHIAAA-FBLGWDNLSA-N	246.353	5.360	0	30	BKAC	
CCC[C@H](C)c1ccc(O)c([C@H](C)CCC)c1	32157221	QEVQVYGCTVKSER-QWHCGFSZSA-N	234.383	5.199	0	30	BKAC	
CC(C)=CCC[C@@H](C)C1=CCC(C)=CC1	85600560	JXZQZARENYGJMK-CQSZACIVSA-N	204.357	5.035	0	30	BKAC	biogenic,in-vitro
CCCCCC(O)(CCCCC)CCCCC	1640824	CMJCZYGIOHQGMV-UHFFFAOYSA-N	242.447	5.458	0	30	BKAC	
[N-]=[N+]=Nc1ccc2ccc3cccc4ccc1c2c34	31372749	BMNGOGRNWBJJKB-UHFFFAOYSA-N	243.269	5.526	0	30	BKAC	
Cc1cccc(C)c1Nc1ccc2ccccc2c1	82715849	KYWYRNURERYQDW-UHFFFAOYSA-N	247.341	5.200	0	30	BKAC	
CCCCC[Si](C)(C)C/C=C/[Si](C)(C)C	195805850	JFWKESWHFDOMBT-ZHACJKMWSA-N	242.555	5.319	0	30	BKAC	
C[C@@H]1COC2=C(CCCCCCCCCC2)C1	32136248	HPYJARSYANHKJX-AWEZNQCLSA-N	236.399	5.212	0	30	BKAC	
CC(C)=CCC/C(C)=C/C[C@H](C)c1ccncc1	5141491	KULYGLRIZQIANR-AHQMPEJBSA-N	243.394	5.268	0	30	BKAC	
CCC[C@@H](C)c1ccc(O)c([C@H](C)CCC)c1	2515961	QEVQVYGCTVKSER-CHWSQXEVSA-N	234.383	5.199	0	30	BKAC	
Cc1c(C(C)C)cc(C(C)C)c(O)c1C(C)C	33605066	ZGJKGUZCSAJNLW-UHFFFAOYSA-N	234.383	5.071	0	30	BKAC	
c1csc(-c2csc(-c3cccs3)c2)c1	1861834	DNAIRPZIPJONCV-UHFFFAOYSA-N	248.397	5.205	0	30	BKAC	in-vitro
CC(C)=CC/C=C(/C)[C@@H]1CC=C(C)CC1	59778317	YHBUQBJHSRGZNF-XIEDVDOYSA-N	204.357	5.035	0	30	BKAC	endogenous,in-man
C/C=C/CC/C(C)=C/CCC[C@](C)(CC)OC	44712420	WZXXUCGWWVCQNM-JEBIAZGMSA-N	238.415	5.274	0	30	BKAC	
C/C1=C/CC/C(C)=C\CC(C)(C)/C=C\C1	38139375	FAMPSKZZVDUYOS-KXWHQPPKSA-N	204.357	5.035	0	30	BKAC	endogenous,in-man
CC(C)CCCCCCCCCCCCCN	38656919	DRWUOVOJVMEODA-UHFFFAOYSA-N	241.463	5.282	0	30	BKAC	
CC(C)CCC[C@H](C)CCCC(=O)CC(C)C	33607860	RRMNNKKAJPGDCK-HNNXBMFYSA-N	240.431	5.234	0	30	BKAC	
FCCCCCCCCCCCCCCF	95875950	RQQISZVEKYMHMR-UHFFFAOYSA-N	234.374	5.607	0	30	BKAC	
C1=CCC2=C(C1)CC1=C(C2)[C@@H]2CC=CC[C@@H]2CC1	96333700	SEICIFOZFBSFDJ-CXAGYDPISA-N	238.374	5.100	0	30	BKAC	
CC(C)c1cc(C(C)C)c([C@H](C)N)c(C(C)C)c1	35091669	CQUUZQSBPYYMRG-ZDUSSCGKSA-N	247.426	5.077	0	30	BKAC	
CC(C)c1cc(-c2ccccc2)c2ccccc2n1	988424	DQWIMRRNZNRYIU-UHFFFAOYSA-N	247.341	5.025	0	30	BKAC	
CC(C)(C)OC1CCCCCCCCCCC1	33606695	PXFNXDHMFIJJCU-UHFFFAOYSA-N	240.431	5.475	0	30	BKAC	
C[C@H]1COC2=C(CCCCCCCCCC2)C1	32136249	HPYJARSYANHKJX-CQSZACIVSA-N	236.399	5.212	0	30	BKAC	
C=C(c1ccc(C)cc1)c1cccc2ccccc12	100034588	OTNXJMSAGCCGPQ-UHFFFAOYSA-N	244.337	5.210	0	30	BKAC	
CC1(Cl)CCCCCCCCCCC1	111891436	DSJJQDXJAMVJGI-UHFFFAOYSA-N	216.796	5.289	0	30	BKAC	
CCCC[C@H](CCC)O[C@@H](CCC)CCCC	96334661	UIUDVLVFUKMRMP-HOTGVXAUSA-N	242.447	5.721	0	30	BKAC	
CC[C@H](C)c1ccc(Oc2cccc3c2O3)cc1	238791471	KADHVJOHAMUGGR-NSHDSACASA-N	240.302	5.098	0	30	BKAC	
CCCCCSc1cc2ccccc2s1	205012504	PWEZONLPHGGEGD-UHFFFAOYSA-N	236.405	5.184	0	30	BKAC	
CCC[C@H]1CC[C@H](/C=C/C2CCCCC2)CC1	263584356	QRNGQGDEQAQBLU-LPXVOXBASA-N	234.427	5.729	0	30	BKAC	
C[C@@H]1/C=C\CCCCCCCCCCC(=O)C1	6037203	JRQWMYKJVZYCDE-KUGGDMIFSA-N	236.399	5.053	0	30	BKAC	
C=Cc1c(CC)c(CC)c(CC)c(CC)c1CC	96330931	VFTSQADXSPYXDG-UHFFFAOYSA-N	244.422	5.142	0	30	BKAC	
CC(C)P(C1CCCCC1)C(C)(C)C	140288652	FTMZUAQYLGGVCG-UHFFFAOYSA-N	214.333	5.008	0	30	BKAC	
CC(C)=CCC/C(C)=C\C[C@H](C)c1ccncc1	5141489	KULYGLRIZQIANR-YMDFIQGPSA-N	243.394	5.268	0	30	BKAC	
C=CSCC[Si](CCC)(CCC)CCC	195772038	WTOCTXNLTZNSCS-UHFFFAOYSA-N	244.520	5.542	0	30	BKAC	
C/C1=C(\C)[C@H](C)C/C=C\CC/C=C\CC1	100453490	FWASXIQNCSBDAF-AQQXMNIHSA-N	204.357	5.035	0	30	BKAC	
CC(C)CCC[C@@H](C)CCCC(=O)CC(C)C	33607859	RRMNNKKAJPGDCK-OAHLLOKOSA-N	240.431	5.234	0	30	BKAC	
CC(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O	96328215	PCEGJZYQXAYULP-UHFFFAOYSA-N	248.410	5.111	0	30	BKAC	
Cc1ccc(C2CCCC2)c(O)c1C1CCCC1	33611455	ORSUQDMEHLIUNE-UHFFFAOYSA-N	244.378	5.016	0	30	BKAC	
O=C1CCCCCC/C=C\CCCCCCC1	13515221	ZGEHHVDYDNXYMW-UPHRSURJSA-N	236.399	5.197	0	30	BKAC	
CC[C@@H](C)c1ccc(Oc2cccc3c2O3)cc1	238791470	KADHVJOHAMUGGR-LLVKDONJSA-N	240.302	5.098	0	30	BKAC	
CCC[C@H](C)c1cc([C@H](C)CCC)ccc1O	32157211	QEVQVYGCTVKSER-OLZOCXBDSA-N	234.383	5.199	0	30	BKAC	
C1=CCC2=C(C1)CC1=C(C2)[C@@H]2CCCCC2=CC1	96333695	CXIFJTOPSGVTHN-QGZVFWFLSA-N	238.374	5.244	0	30	BKAC	
C/C=C/CC/C(C)=C/CCC[C@@](C)(CC)OC	135972431	WZXXUCGWWVCQNM-NQFPFWIQSA-N	238.415	5.274	0	30	BKAC	
C/C1=C/CC/C(C)=C\CC/C(C)=C\CC1	83329455	XOTMHDVYZZBKEJ-PEFAHGPYSA-N	204.357	5.180	0	30	BKAC	
CC(C)=CC/C=C(\C)[C@H]1CC=C(C)CC1	59586019	YHBUQBJHSRGZNF-LULHVWEPSA-N	204.357	5.035	0	30	BKAC	biogenic,in-vitro
C[C@H]1/C=C\CCCCCCCCCCC(=O)C1	6030440	JRQWMYKJVZYCDE-WQTVUKCASA-N	236.399	5.053	0	30	BKAC	
CCC[C@H](C)c1ccc(O)c([C@@H](C)CCC)c1	32157215	QEVQVYGCTVKSER-STQMWFEESA-N	234.383	5.199	0	30	BKAC	
C/C(=C\c1ccccc1)c1ccc2ccccc2c1	63607830	PEKVJPCSQNGHGN-FYWRMAATSA-N	244.337	5.400	0	30	BKAC