smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCCC(=O)CC(=O)[O-]	33505684	573407814	/nfs/dbraw/zinc/40/78/14/573407814.db2.gz	IYNRULSFFKEOLT-UHFFFAOYSA-N	-2	0	174.152	0.285	1	0	in-vitro	ACAFRL
CC(=CC(=O)C(=O)[O-])C(=O)[O-]	13539559	560219030	/nfs/dbraw/zinc/21/90/30/560219030.db2.gz	IPWNMCXZUUQQTP-DUXPYHPUSA-N	-2	0	158.109	0.154	1	0	in-vitro	ACAFRL
O=C([O-])[C@H]1Cc2cc(O)c([O-])cc2N1	100770545	571813032	/nfs/dbraw/zinc/81/30/32/571813032.db2.gz	YHAPBGUGQAHLME-ZCFIWIBFSA-N	-2	0	194.166	0.957	1	0	endogenous,in-man	ACAFRL
CC(=O)NC(CCC(=O)[O-])C(=O)[O-]	69488595	574416446	/nfs/dbraw/zinc/41/64/46/574416446.db2.gz	WGIKFGBBSLBXGO-UHFFFAOYSA-N	-2	0	189.167	0.272	1	0	endogenous,in-vitro	ACAFRL
CC(NC(=O)CCC(=O)[O-])C(=O)[O-]	69488784	574416509	/nfs/dbraw/zinc/41/65/09/574416509.db2.gz	FLJFZFWJKKDRDE-UHFFFAOYSA-N	-2	0	189.167	0.272	1	0	endogenous,in-vitro	ACAFRL
C/C(=C/CCOP(=O)([O-])[O-])CO	29133146	166048520	/nfs/dbraw/zinc/04/85/20/166048520.db2.gz	XLZJJEISIZAARO-UTCJRWHESA-N	-2	0	196.139	0.424	1	0		ACAFRL
C/C(=C/CO)CCOP(=O)([O-])[O-]	29133144	166048598	/nfs/dbraw/zinc/04/85/98/166048598.db2.gz	GARNKTZRSSTBIN-KXFIGUGUSA-N	-2	0	196.139	0.424	1	0		ACAFRL
C/C(=C\CCOP(=O)([O-])[O-])CO	29133231	166048762	/nfs/dbraw/zinc/04/87/62/166048762.db2.gz	XLZJJEISIZAARO-ZZXKWVIFSA-N	-2	0	196.139	0.424	1	0		ACAFRL
CC(C)(CC[P@@](=O)([O-])O)C(=O)[O-]	29747211	166394840	/nfs/dbraw/zinc/39/48/40/166394840.db2.gz	SCXPEAQTFILILV-UHFFFAOYSA-N	-2	0	196.139	0.665	1	0		ACAFRL
CO[P@@](=O)([O-])C(=O)[O-]	26642694	168221350	/nfs/dbraw/zinc/22/13/50/168221350.db2.gz	NIWVUSLHJTWEBE-UHFFFAOYSA-N	-2	0	140.031	0.496	1	0		ACAFRL
CSCC[C@H](NC(=O)[O-])C(=O)[O-]	35264110	168303206	/nfs/dbraw/zinc/30/32/06/168303206.db2.gz	LWQBAQJPCYBWJQ-BYPYZUCNSA-N	-2	0	193.224	0.460	1	0	in-vivo	ACAFRL
CSCC[C@@H](NC(=O)[O-])C(=O)[O-]	35264111	168303648	/nfs/dbraw/zinc/30/36/48/168303648.db2.gz	LWQBAQJPCYBWJQ-SCSAIBSYSA-N	-2	0	193.224	0.460	1	0	in-vitro	ACAFRL
O=C(N1CCCCC1)P(=O)([O-])[O-]	13561096	169325232	/nfs/dbraw/zinc/32/52/32/169325232.db2.gz	LPCNDTNDDXIPDM-UHFFFAOYSA-N	-2	0	193.139	0.770	1	0		ACAFRL
O=C([O-])N1CCc2o[n-]c(=O)c2CC1	28003087	169344967	/nfs/dbraw/zinc/34/49/67/169344967.db2.gz	IDWNOLBZCQVLKA-UHFFFAOYSA-N	-2	0	198.178	0.459	1	0		ACAFRL
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[S-]	33326343	171050488	/nfs/dbraw/zinc/05/04/88/171050488.db2.gz	IIZLNWRFIFLOOT-BWBBJGPYSA-N	-2	0	198.243	0.966	1	0		ACAFRL
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)[S-]	101813910	171145894	/nfs/dbraw/zinc/14/58/94/171145894.db2.gz	IIZLNWRFIFLOOT-JRTVQGFMSA-N	-2	0	198.243	0.966	1	0		ACAFRL