smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
F/C(=C\c1ccccc1)c1ccccc1	ZINC000001726712	169069901	/nfs/dbraw/zinc/06/99/01/169069901.db2.gz	CYYFUQKVNOPWKY-KAMYIIQDSA-N	0	0	198.240	4.154	1	0		AIAFRN
CCCC/C=C/C=C/CCCC	ZINC000001729064	571681890	/nfs/dbraw/zinc/68/18/90/571681890.db2.gz	ZARLDNIZTZBEDV-WGDLNXRISA-N	0	0	166.308	4.479	1	0	endogenous,in-man	AIAFRN
CC1=CCC[C@]2(C)CC[C@@H](C)C[C@@H]12	ZINC000059586555	290749366	/nfs/dbraw/zinc/74/93/66/290749366.db2.gz	VGVUYFCVKCVNMJ-KGYLQXTDSA-N	0	0	178.319	4.169	1	0	biogenic,in-vitro	AIAFRN
CCCCCC1=CCCCC1	ZINC000081195075	560076285	/nfs/dbraw/zinc/07/62/85/560076285.db2.gz	IOTQTOFPEVQVPG-UHFFFAOYSA-N	0	0	152.281	4.067	1	0	biogenic,in-vitro	AIAFRN
C[C@H]1CC=C[C@](C)(C2CCCC2)C1	ZINC000085543689	560070896	/nfs/dbraw/zinc/07/08/96/560070896.db2.gz	KYJRIOYAUDUNMN-AAEUAGOBSA-N	0	0	178.319	4.169	1	0	biogenic,in-vitro	AIAFRN
CCC1=CCC(C)=C2CC=C(C)C2=C1	ZINC000085643423	571786093	/nfs/dbraw/zinc/78/60/93/571786093.db2.gz	IYOUDNRQMJGGQI-UHFFFAOYSA-N	0	0	186.298	4.319	1	0	endogenous,in-man	AIAFRN
CCC1=CC[C@H](C)C2=CC=C(C)C2=C1	ZINC000085643426	571786216	/nfs/dbraw/zinc/78/62/16/571786216.db2.gz	WSGOYZPQRKZDIY-JTQLQIEISA-N	0	0	186.298	4.175	1	0	endogenous,in-man	AIAFRN
CCC1=CC[C@@H](C)C2=CC=C(C)C2=C1	ZINC000085643429	571786494	/nfs/dbraw/zinc/78/64/94/571786494.db2.gz	WSGOYZPQRKZDIY-SNVBAGLBSA-N	0	0	186.298	4.175	1	0	endogenous,in-man	AIAFRN
C/C1=C/C=C\CC/C(C)=C\CC1	ZINC000085973574	571792978	/nfs/dbraw/zinc/79/29/78/571792978.db2.gz	ACTKFDMFHYIKRY-MBDGBGPPSA-N	0	0	162.276	4.009	1	0	endogenous,in-man	AIAFRN
C/C1=C\CC/C(C)=C/C/C=C/C1	ZINC000085973576	290749368	/nfs/dbraw/zinc/74/93/68/290749368.db2.gz	HJFJPKDXNZHKGG-LFVGHESCSA-N	0	0	162.276	4.009	1	0	biogenic,in-vitro	AIAFRN
C/C=C/C=C1\C(C)=CCCC1(C)C	ZINC000086031218	571793925	/nfs/dbraw/zinc/79/39/25/571793925.db2.gz	BYDQKMZEOZVIJM-HFACTSAFSA-N	0	0	176.303	4.255	1	0	endogenous,in-man	AIAFRN
C/C=C1/C[C@H]2CC[C@@H](C)[C@]1(C)C2(C)C	ZINC000095910289	290749362	/nfs/dbraw/zinc/74/93/62/290749362.db2.gz	FMOZOFOCONBPNY-LJSAUVTESA-N	0	0	192.346	4.415	1	0	biogenic,in-vitro	AIAFRN
C[C@@H]1CC[C@H]2[C@@H]1C[C@@H]1C=C[C@@]2(C)CC1	ZINC000095913938	560056234	/nfs/dbraw/zinc/05/62/34/560056234.db2.gz	CFEBVBFXLFAFIO-POQQGIQPSA-N	0	0	190.330	4.025	1	0	biogenic,in-vitro	AIAFRN
C/C1=C\CC/C(C)=C/C/C=C\C1	ZINC000095914525	290749365	/nfs/dbraw/zinc/74/93/65/290749365.db2.gz	HJFJPKDXNZHKGG-VVWKNJEUSA-N	0	0	162.276	4.009	1	0	biogenic,in-vitro	AIAFRN
CC[C@H](C)C[C@H](C)CC(C)C	ZINC000095919244	560054570	/nfs/dbraw/zinc/05/45/70/560054570.db2.gz	XHNIFDXYGLPJLP-WDEREUQCSA-N	0	0	156.313	4.105	1	0	biogenic,in-vitro	AIAFRN
CC(C)c1cccc(C(C)(C)C)c1	ZINC000096330953	171140912	/nfs/dbraw/zinc/14/09/12/171140912.db2.gz	OWOLIQXOOMFSJE-UHFFFAOYSA-N	0	0	176.303	4.108	1	0		AIAFRN
CCC[C@@H](C)CCCC(C)C	ZINC000096334087	167029041	/nfs/dbraw/zinc/02/90/41/167029041.db2.gz	MGNGOEWESNDQAN-LLVKDONJSA-N	0	0	156.313	4.249	1	0		AIAFRN
CCC[C@H](C)CCCC(C)C	ZINC000096334089	167065286	/nfs/dbraw/zinc/06/52/86/167065286.db2.gz	MGNGOEWESNDQAN-NSHDSACASA-N	0	0	156.313	4.249	1	0		AIAFRN
Cc1ccc(Oc2ccccc2)cc1C	ZINC000086863066	343656471	/nfs/dbraw/zinc/65/64/71/343656471.db2.gz	NHXNFHLWXMAHCV-UHFFFAOYSA-N	0	0	198.265	4.096	2	0		AIAFRN
C1CCC(C2CCCCC2)CC1	ZINC000100508964	166093818	/nfs/dbraw/zinc/09/38/18/166093818.db2.gz	QFQXIIVBQOHLPH-UHFFFAOYSA-N	0	0	165.300	4.105	2	0		AIAFRN
C1=C/CCCCCC/C=C\C=C/1	ZINC000306122680	166079115	/nfs/dbraw/zinc/07/91/15/166079115.db2.gz	XRLIZCVYAYNXIF-IAFSNKLZSA-N	0	0	162.276	4.009	2	0		AIAFRN