smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCC[C@@H](CC)C(=O)[O-]	100060645	343710181	/nfs/dbraw/zinc/71/01/81/343710181.db2.gz	YRCGAHTZOXPQPR-SNVBAGLBSA-N	-1	0	186.295	3.458	40	30		AGEBRM
C=C(F)CCCCCCCC(=O)[O-]	39185331	166140143	/nfs/dbraw/zinc/14/01/43/166140143.db2.gz	WYWISEXDBMCRBD-UHFFFAOYSA-N	-1	0	188.242	3.285	40	30		AGEBRM
CCCCCCCC[C@@H](C)C(=O)[O-]	80300506	166851418	/nfs/dbraw/zinc/85/14/18/166851418.db2.gz	SAOSCTYRONNFTC-SNVBAGLBSA-N	-1	0	186.295	3.458	40	30		AGEBRM
C=C[C@@](C)(CCCC(=C)C)C(=O)[O-]	3163904	171163635	/nfs/dbraw/zinc/16/36/35/171163635.db2.gz	KEXTWNQOVCKJAM-NSHDSACASA-N	-1	0	182.263	3.010	40	30		AGEBRM
C=C[C@](C)(CCCC(=C)C)C(=O)[O-]	3163902	171163895	/nfs/dbraw/zinc/16/38/95/171163895.db2.gz	KEXTWNQOVCKJAM-LLVKDONJSA-N	-1	0	182.263	3.010	40	30		AGEBRM
N#CCCCCCCCCCC(=O)[O-]	34283378	171185206	/nfs/dbraw/zinc/18/52/06/171185206.db2.gz	RTNIPZOHEWLZLV-UHFFFAOYSA-N	-1	0	197.278	3.105	40	30		AGEBRM
CCCCCCCC/C=C\C(=O)[O-]	64624483	171199415	/nfs/dbraw/zinc/19/94/15/171199415.db2.gz	IGBBVTAVILYDIO-KTKRTIGZSA-N	-1	0	184.279	3.378	40	30	in-vitro	AGEBRM
CCCCCCC[C@H](C)CC(=O)[O-]	2509960	342972998	/nfs/dbraw/zinc/97/29/98/342972998.db2.gz	ZGDHFHMCRRTRAW-JTQLQIEISA-N	-1	0	186.295	3.458	40	30		AGEBRM
CCCCCCC[C@H](CC)C(=O)[O-]	2509962	342973042	/nfs/dbraw/zinc/97/30/42/342973042.db2.gz	YRCGAHTZOXPQPR-JTQLQIEISA-N	-1	0	186.295	3.458	40	30		AGEBRM
CCCCCCCC[C@H](C)C(=O)[O-]	2528275	342974596	/nfs/dbraw/zinc/97/45/96/342974596.db2.gz	SAOSCTYRONNFTC-JTQLQIEISA-N	-1	0	186.295	3.458	40	30		AGEBRM
CCCCCCC[C@@H](C)CC(=O)[O-]	100423011	343716492	/nfs/dbraw/zinc/71/64/92/343716492.db2.gz	ZGDHFHMCRRTRAW-SNVBAGLBSA-N	-1	0	186.295	3.458	40	30		AGEBRM