smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C#C/C1=C/CCCCCCCCCC1	71787261	PTUJVZXZZOWQAP-OWBHPGMISA-N	190.330	4.461	30	50	AIEA	
CC#C[Si](C(C)C)(C(C)C)C(C)C	170154452	FDEZWWXTHRGNJD-UHFFFAOYSA-N	196.410	4.228	30	50	AIEA	
CCCCCCCC(C)C	1615328	SGVYKUFIHHTIFL-UHFFFAOYSA-N	142.286	4.003	30	50	AIEA	
CCCCCC#CCCCCC	1571094	IHPFQAOOSAGSPN-UHFFFAOYSA-N	166.308	4.150	30	50	AIEA	in-vitro
CCCCCCCC1CCC(=O)CC1	105704192	QWHCPRHASHNSDA-UHFFFAOYSA-N	196.334	4.106	30	50	AIEA	in-vitro
CCCCCCCCC[C@H](C)N(C)C	101172744	SPTXBOLKYQANKS-ZDUSSCGKSA-N	199.382	4.077	30	50	AIEA	
CCCCCCCCCCC#N	1672957	SZKKNEOUHLFYNA-UHFFFAOYSA-N	167.296	4.041	30	50	AIEA	
CCCCCCCCCCC(C)=O	2034113	LSKONYYRONEBKA-UHFFFAOYSA-N	184.323	4.106	30	50	AIEA	endogenous,in-man
C#CC1=CCCCCCCCCCC1	263631749	PTUJVZXZZOWQAP-UHFFFAOYSA-N	190.330	4.461	30	50	AIEA	
CCCCCCCCCSC	2389884	FCRSULZJMFDBIK-UHFFFAOYSA-N	174.353	4.100	30	50	AIEA	
C=C(c1ccccc1)C1CCCCC1	71785193	MXLWBXNCIZQWNB-UHFFFAOYSA-N	186.298	4.280	30	50	AIEA	
CCCCCCCCC[C@@H](C)N(C)C	101172748	SPTXBOLKYQANKS-CYBMUJFWSA-N	199.382	4.077	30	50	AIEA	
C=C(C)c1cccc(-c2ccccc2)c1	59044291	JTOKKESNZGASGN-UHFFFAOYSA-N	194.277	4.387	30	50	AIEA	
CCCCCCCCCCC[C@@H]1CO1	100008685	ZKAPVLMBPUYKKP-CYBMUJFWSA-N	198.350	4.306	30	50	AIEA	
CCCCCCCCCCCC#N	1577040	VXCUURYYWGCLIH-UHFFFAOYSA-N	181.323	4.431	30	50	AIEA	
C=C(C)CC[C@H]1C(C)=CCC[C@H]1C	71786414	MHRPHUGOYJGTNW-OLZOCXBDSA-N	178.319	4.335	30	50	AIEA	
CCCCCCCCCCCN(C)C	1584580	MMWFTWUMBYZIRZ-UHFFFAOYSA-N	199.382	4.079	30	50	AIEA	
CCCCCCCCCCSC	2166343	HKGUUZAACYBIID-UHFFFAOYSA-N	188.380	4.490	30	50	AIEA	in-vitro
CCCCCCCCSCC	2167305	WAITXWGCJQLPGH-UHFFFAOYSA-N	174.353	4.100	30	50	AIEA	
C=C(CC(C)(C)C)CC(C)(C)C	2165930	TUFZRYOCZCLYJO-UHFFFAOYSA-N	168.324	4.415	30	50	AIEA	
CCCCCCCCCC(=O)CCC	1606024	JWSRUPAFLPWLNO-UHFFFAOYSA-N	198.350	4.496	30	50	AIEA	biogenic,in-vitro
CCCCCCCCCC	1648227	DIOQZVSQGTUSAI-UHFFFAOYSA-N	142.286	4.147	30	50	AIEA	endogenous,in-man
CCCCCCCCCCS	16052462	VTXVGVNLYGSIAR-UHFFFAOYSA-N	174.353	4.057	30	50	AIEA	in-vivo
C=C/C=C1\C=C(CCC=C)CCC1	71786486	NGKGHXVJFKBPMX-GHXNOFRVSA-N	174.287	4.175	30	50	AIEA	
C=C(C)c1ccc(Cl)c(Cl)c1	71772974	ZPVVNLOZNJMZMS-UHFFFAOYSA-N	187.069	4.027	30	50	AIEA	
CCCCCCCCCSCC	1606256	LUAABLIRQSWMGZ-UHFFFAOYSA-N	188.380	4.490	30	50	AIEA	
CCC(=CC(=O)C=C(CC)CC)CC	218418677	IGLBTNTXQRAYTK-UHFFFAOYSA-N	194.318	4.048	30	50	AIEA	
C=CCCCCCCCCC=C	2563346	IYPLTVKTLDQUGG-UHFFFAOYSA-N	166.308	4.479	30	50	AIEA	in-vitro
CCCCCCCCCC(=O)CC	1606044	PERIHWAPLOBAJM-UHFFFAOYSA-N	184.323	4.106	30	50	AIEA	
CCCCCCCCCCF	2040789	LHLRHWJTTUCDQA-UHFFFAOYSA-N	160.276	4.097	30	50	AIEA	
CCCCCCCCCCCCCN	1545439	ABVVEAHYODGCLZ-UHFFFAOYSA-N	199.382	4.256	30	50	AIEA	
CCCCCCCCCCC(=O)CC	1605990	ZDIXOWNDGFVYNK-UHFFFAOYSA-N	198.350	4.496	30	50	AIEA	
CCCCCCCCCCCCC=O	2023332	BGEHHAVMRVXCGR-UHFFFAOYSA-N	198.350	4.496	30	50	AIEA	endogenous,in-man
CCCCCCCCCCCCNC	1649055	OMEMQVZNTDHENJ-UHFFFAOYSA-N	199.382	4.127	30	50	AIEA	in-vitro
ON=C1CCCCCCCCCCC1	163518	SCRFXJBEIINMIC-UHFFFAOYSA-N	197.322	4.121	30	50	AIEA	
CCCCC#CCCCCCC	2579232	JQPXWRQCSIYOOP-UHFFFAOYSA-N	166.308	4.150	30	50	AIEA	in-vitro
C=CC[Si](CC=C)(CC=C)CC=C	169747068	AKRQMTFHUVDMIL-UHFFFAOYSA-N	192.378	4.179	30	50	AIEA	
C=C[C@H](CCC(=C)C)[C@H](C)C(C)C	71786621	VIZKRVIZMKZVKN-CHWSQXEVSA-N	180.335	4.437	30	50	AIEA	
CCCCCCCCCCCC=O	1529404	HFJRKMMYBMWEAD-UHFFFAOYSA-N	184.323	4.106	30	50	AIEA	endogenous,in-man
CCCCCCCCCCCS	1672961	CCIDWXHLGNEQSL-UHFFFAOYSA-N	188.380	4.447	30	50	AIEA	
CCCCCCCCC(C)C	1571092	CNPVJWYWYZMPDS-UHFFFAOYSA-N	156.313	4.393	30	50	AIEA	endogenous,in-man
CCCCCCCc1ccccc1	1632627	LBNXAWYDQUGHGX-UHFFFAOYSA-N	176.303	4.200	30	50	AIEA	
C=C[C@H](CCC(=C)C)[C@@H](C)C(C)C	71786622	VIZKRVIZMKZVKN-QWHCGFSZSA-N	180.335	4.437	30	50	AIEA	
C=C[C@@H](CCC(=C)C)[C@@H](C)C(C)C	71786624	VIZKRVIZMKZVKN-STQMWFEESA-N	180.335	4.437	30	50	AIEA	
C#CCCCCCCCCCC	2534756	ZVDBUOGYYYNMQI-UHFFFAOYSA-N	166.308	4.150	30	50	AIEA	biogenic,in-vitro
CCCCCCCCCCC[C@H]1CO1	2559329	ZKAPVLMBPUYKKP-ZDUSSCGKSA-N	198.350	4.306	30	50	AIEA	
C=C(C)CC[C@H]1C(C)=CCC[C@@H]1C	71786415	MHRPHUGOYJGTNW-STQMWFEESA-N	178.319	4.335	30	50	AIEA	
CCCCCCCCCCCC(C)=O	1653218	CYIFVRUOHKNECG-UHFFFAOYSA-N	198.350	4.496	30	50	AIEA	endogenous,in-man
C=C[C@@H](CCC(=C)C)[C@H](C)C(C)C	71786623	VIZKRVIZMKZVKN-OLZOCXBDSA-N	180.335	4.437	30	50	AIEA	
C=CCCCCCCCCC	1699445	DCTOHCCUXLBQMS-UHFFFAOYSA-N	154.297	4.313	30	50	AIEA	endogenous,in-man