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-])COc1ccccc1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000004808433	170020487	/nfs/dbraw/zinc/02/04/87/170020487.db2.gz	PTDKKWFXAVCWKW-UHFFFAOYSA-N	-2	0	290.231	-0.101	50	10		CBCARL
CSCC[C@H](NC=C1C(=O)[N-]C(=O)NC1=O)C(=O)[O-]	ZINC000002121521	351308118	/nfs/dbraw/zinc/30/81/18/351308118.db2.gz	RHDWQGJAUBACPO-LURJTMIESA-N	-2	0	287.297	-0.968	50	10		CBCARL
CCOC(=O)C1=C([O-])C([O-])=C(C(=O)OCC)C1=O	ZINC000101083927	351782409	/nfs/dbraw/zinc/78/24/09/351782409.db2.gz	ZWHNYADAWILTOC-OLQVQODUSA-N	-2	0	256.210	-0.934	50	10		CBCARL
CSCC[C@@H](NC=C1C(=O)[N-]C(=O)NC1=O)C(=O)[O-]	ZINC000002121524	351307936	/nfs/dbraw/zinc/30/79/36/351307936.db2.gz	RHDWQGJAUBACPO-ZCFIWIBFSA-N	-2	0	287.297	-0.968	50	10		CBCARL
CCOC(=O)C1=C([O-])C([O-])=C(C(=O)OCC)C1=O	ZINC000101083932	328755488	/nfs/dbraw/zinc/75/54/88/328755488.db2.gz	ZWHNYADAWILTOC-PHDIDXHHSA-N	-2	0	256.210	-0.934	50	10		CBCARL
O=S(=O)([O-])c1cc(O)c(O)c(S(=O)(=O)[O-])c1	ZINC000001532175	351304024	/nfs/dbraw/zinc/30/40/24/351304024.db2.gz	XXAXVMUWHZHZMJ-UHFFFAOYSA-N	-2	0	270.240	-0.409	50	10	endogenous,in-man	CBCARL
O=C1[N-]C(=O)C(=Cc2ccc(S(=O)(=O)[O-])o2)C(=O)N1	ZINC000002321181	351308221	/nfs/dbraw/zinc/30/82/21/351308221.db2.gz	FZMNSJYJZUVCAR-UHFFFAOYSA-N	-2	0	286.221	-0.724	50	10		CBCARL
O=C([O-])COc1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000004823190	170024108	/nfs/dbraw/zinc/02/41/08/170024108.db2.gz	LGEXHBQSTDPORT-UHFFFAOYSA-N	-2	0	290.231	-0.101	50	10		CBCARL
O=C([O-])CCCCCNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000019701750	351350302	/nfs/dbraw/zinc/35/03/02/351350302.db2.gz	LEYSTMOMBRHMGU-UHFFFAOYSA-N	-2	0	269.257	-0.529	50	10		CBCARL
O=C1[N-]N(c2nn[nH]n2)C(=O)C1=Cc1ccccc1	ZINC000334163502	353020633	/nfs/dbraw/zinc/02/06/33/353020633.db2.gz	VDVCBIIEVBIPCL-VURMDHGXSA-N	-2	0	256.225	-0.339	50	10		CBCARL
CCOC(=O)C1=C([O-])C([O-])=C(C(=O)OCC)C1=O	ZINC000101083928	328755485	/nfs/dbraw/zinc/75/54/85/328755485.db2.gz	ZWHNYADAWILTOC-WDSKDSINSA-N	-2	0	256.210	-0.934	50	10		CBCARL
CC1(C)OC(=O)C(=CN[C@H](CC(=O)[O-])C(=O)[O-])C(=O)O1	ZINC000100804535	351781551	/nfs/dbraw/zinc/78/15/51/351781551.db2.gz	LGZXAFSLCQIYQH-ZCFIWIBFSA-N	-2	0	287.224	-0.776	50	10		CBCARL
CC1(C)OC(=O)C(=CN[C@@H](CC(=O)[O-])C(=O)[O-])C(=O)O1	ZINC000100804530	351781530	/nfs/dbraw/zinc/78/15/30/351781530.db2.gz	LGZXAFSLCQIYQH-LURJTMIESA-N	-2	0	287.224	-0.776	50	10		CBCARL