smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@]1(C(=O)[O-])CCC[C@]2(C)[C@H]1CC[C@@]13C=C(C(=O)[O-])[C@@H](C1)CC[C@H]32	ZINC000100780663	571833734	/nfs/dbraw/zinc/83/37/34/571833734.db2.gz	YQNLDLVKFNZFTI-HVUBVPMHSA-N	-2	0	332.440	4.105	1	0	endogenous,in-man	EIAFRL
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@]3(C[C@H]4C(=O)[O-])CC[C@H]12	ZINC000070454065	291009096	/nfs/dbraw/zinc/00/90/96/291009096.db2.gz	HITLMPHPGUZLGI-LMMRGQMGSA-N	-2	0	334.456	4.185	1	0	biogenic,in-vitro	EIAFRL
O=C([O-])c1cc(C(=O)[O-])c2cc(-c3cccc4ccccc43)ccc2n1	ZINC000026382634	202142758	/nfs/dbraw/zinc/14/27/58/202142758.db2.gz	GWTQHXZEYNHUFE-UHFFFAOYSA-N	-2	0	343.338	4.451	1	0		EIAFRL
C[C@]1(C(=O)[O-])CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C=C4C(=O)[O-])CC[C@H]12	ZINC000095914580	291009094	/nfs/dbraw/zinc/00/90/94/291009094.db2.gz	YQNLDLVKFNZFTI-OFQLPADVSA-N	-2	0	332.440	4.105	1	0	biogenic,in-vitro	EIAFRL
C[C@]1(C(=O)[O-])CCC[C@]2(C)[C@H]1CC[C@@]13C=C(C(=O)[O-])[C@@H](C1)CC[C@H]32	ZINC000100780658	571833739	/nfs/dbraw/zinc/83/37/39/571833739.db2.gz	YQNLDLVKFNZFTI-PJBSWFGBSA-N	-2	0	332.440	4.105	1	0	endogenous,in-man	EIAFRL
C[C@]12CCC[C@](C)(C(=O)[O-])[C@@H]1CC[C@]13C=C(C(=O)[O-])[C@H](C1)CC[C@@H]32	ZINC000085614649	574416711	/nfs/dbraw/zinc/41/67/11/574416711.db2.gz	YQNLDLVKFNZFTI-PNBARZEZSA-N	-2	0	332.440	4.105	1	0	endogenous,in-man	EIAFRL
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@H]1CC[C@@]13C=C(C(=O)[O-])[C@@H](C1)CC[C@H]32	ZINC000100780665	571833698	/nfs/dbraw/zinc/83/36/98/571833698.db2.gz	YQNLDLVKFNZFTI-KIINKYIXSA-N	-2	0	332.440	4.105	1	0	endogenous,in-man	EIAFRL
CC(C)(C)c1cc(CC(C)(C)C(=O)[O-])cc(CC(C)(C)C(=O)[O-])c1	ZINC000012466271	211389840	/nfs/dbraw/zinc/38/98/40/211389840.db2.gz	ZISIRXGJJHANSU-UHFFFAOYSA-N	-2	0	334.456	4.291	3	0		EIAFRL
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@@H]4C(=O)[O-])CC[C@H]12	ZINC000095911936	291009112	/nfs/dbraw/zinc/00/91/12/291009112.db2.gz	HITLMPHPGUZLGI-WXTRFUDFSA-N	-2	0	334.456	4.185	1	0	biogenic,in-vitro	EIAFRL
C[C@]12CCC[C@](C)(C(=O)[O-])[C@@H]1CC[C@@]13C=C(C(=O)[O-])[C@@H](C1)CC[C@H]32	ZINC000100780661	571833702	/nfs/dbraw/zinc/83/37/02/571833702.db2.gz	YQNLDLVKFNZFTI-KKDMEDJGSA-N	-2	0	332.440	4.105	1	0	endogenous,in-man	EIAFRL