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-])c1cc(=O)[n-]c(C2CCC2)n1	107250810	537958585	/nfs/dbraw/zinc/95/85/85/537958585.db2.gz	ADLOIBMNUAONDX-UHFFFAOYSA-N	-2	3	194.190	1.148	20	0		ADADHL
Cc1cc([O-])c(C=O)c(C(=O)[O-])c1	238468719	573680357	/nfs/dbraw/zinc/68/03/57/573680357.db2.gz	BCGWAKRIUPCCDS-UHFFFAOYSA-N	-2	3	180.159	1.211	20	0		ADADHL
CC(C)c1noc([N-][C@@H](C)C(=O)[O-])n1	107189171	486921552	/nfs/dbraw/zinc/92/15/52/486921552.db2.gz	NZHKOVLQCPMJID-YFKPBYRVSA-N	-2	3	199.210	1.078	20	0		ADADHL
CC(C)c1noc([N-][C@H](C)C(=O)[O-])n1	107189175	486921654	/nfs/dbraw/zinc/92/16/54/486921654.db2.gz	NZHKOVLQCPMJID-RXMQYKEDSA-N	-2	3	199.210	1.078	20	0		ADADHL
O=C([O-])CCc1ccc([O-])c(F)c1	33605741	169339568	/nfs/dbraw/zinc/33/95/68/169339568.db2.gz	RMXXLSLLEBZFBS-UHFFFAOYSA-N	-2	3	184.166	1.549	20	0		ADADHL
O=C([O-])c1cc(F)cc2[nH][n-]c(=O)c12	14983844	169356286	/nfs/dbraw/zinc/35/62/86/169356286.db2.gz	AQSFGIFQEGSOPI-UHFFFAOYSA-N	-2	3	196.137	1.106	20	0	in-vitro	ADADHL
O=C([O-])Cc1c([O-])cccc1Cl	221365308	344442239	/nfs/dbraw/zinc/44/22/39/344442239.db2.gz	XLLQMBMKYBRBRA-UHFFFAOYSA-N	-2	3	186.594	1.673	20	0		ADADHL
O=C([O-])c1cc2c(Cl)[n-]nc2cn1	257848067	344943189	/nfs/dbraw/zinc/94/31/89/344943189.db2.gz	ODBCBVCZRMAJJX-UHFFFAOYSA-N	-2	3	197.581	1.310	20	0		ADADHL
C[C@H]1C[C@H]1c1nc(C(=O)[O-])cc(=O)[n-]1	306343599	345217559	/nfs/dbraw/zinc/21/75/59/345217559.db2.gz	NKXMVXYFVAORIR-CRCLSJGQSA-N	-2	3	194.190	1.004	20	0		ADADHL
C[C@H]1C[C@@H]1c1nc(C(=O)[O-])cc(=O)[n-]1	306343602	345217665	/nfs/dbraw/zinc/21/76/65/345217665.db2.gz	NKXMVXYFVAORIR-WHFBIAKZSA-N	-2	3	194.190	1.004	20	0		ADADHL
C[C@@H]1C[C@@H]1c1nc(C(=O)[O-])cc(=O)[n-]1	306343601	345217793	/nfs/dbraw/zinc/21/77/93/345217793.db2.gz	NKXMVXYFVAORIR-UHNVWZDZSA-N	-2	3	194.190	1.004	20	0		ADADHL
C[C@@H]1C[C@H]1c1nc(C(=O)[O-])cc(=O)[n-]1	306343600	345217959	/nfs/dbraw/zinc/21/79/59/345217959.db2.gz	NKXMVXYFVAORIR-RFZPGFLSSA-N	-2	3	194.190	1.004	20	0		ADADHL
O=P([O-])([O-])C/C=C/c1ccccc1	34622488	351444387	/nfs/dbraw/zinc/44/43/87/351444387.db2.gz	AIWAKBITCLOITM-QPJJXVBHSA-N	-2	3	198.158	1.878	20	0	in-vitro	ADADHL
O=C([O-])c1noc2cc([O-])ccc12	81127018	351632093	/nfs/dbraw/zinc/63/20/93/351632093.db2.gz	GRUOYPTYLLULMR-UHFFFAOYSA-N	-2	3	179.131	1.232	20	0		ADADHL