smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2cc3c(cc2c(=O)n1-c1c[nH]c(=O)[n-]c1=O)c(=O)n(-c1c[nH]c(=O)[nH]c1=O)c3=O	ZINC000003146431	557144292	/nfs/dbraw/zinc/14/42/92/557144292.db2.gz	SYIBYMAPHBMHLL-UHFFFAOYSA-N	-1	3	436.296	-3.356	50	0		IAAAHM
CCOC(=O)c1c[n-]nc1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	ZINC000008725255	569472172	/nfs/dbraw/zinc/47/21/72/569472172.db2.gz	DSQZYSDLTQYYMY-UHFFFAOYSA-N	-1	3	429.455	-1.722	50	0		IAAAHM
CCOC(=O)c1cn[n-]c1S(=O)(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	ZINC000008725255	569472171	/nfs/dbraw/zinc/47/21/71/569472171.db2.gz	DSQZYSDLTQYYMY-UHFFFAOYSA-N	-1	3	429.455	-1.722	50	0		IAAAHM
COC(=O)C=C(C(=O)OC)C(C(=O)OC)=C([N-]c1snnc1C(N)=O)C(=O)OC	ZINC000008750857	569473398	/nfs/dbraw/zinc/47/33/98/569473398.db2.gz	WAPLVJBXMAPOBQ-AFJQJTPPSA-N	-1	3	428.379	-1.079	50	0		IAAAHM
O=C(COC(=O)c1c[nH]c(=O)[n-]c1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000009612489	569552865	/nfs/dbraw/zinc/55/28/65/569552865.db2.gz	NDDYJJAWZBUZGR-UHFFFAOYSA-N	-1	3	438.418	-1.120	50	0		IAAAHM
O=C(COC(=O)c1cc(=O)[n-]c(=O)[nH]1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000013135878	556483666	/nfs/dbraw/zinc/48/36/66/556483666.db2.gz	IJEUDOWCEYAJBJ-UHFFFAOYSA-N	-1	3	438.418	-1.120	50	0		IAAAHM
CC(=O)O[C@@H]1[C@@H]2OC(=O)[C@@H](OC(C)=O)[C@H]2O[C@@H]1n1cc(Br)c(=O)[n-]c1=O	ZINC000036644209	556599369	/nfs/dbraw/zinc/59/93/69/556599369.db2.gz	QKMYCIHZVJKDMO-ULHKAFAUSA-N	-1	3	433.167	-1.015	50	0		IAAAHM
CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H](OC(C)=O)[C@@H](n3cc(Br)c(=O)[n-]c3=O)O[C@@H]21	ZINC000036644210	556599316	/nfs/dbraw/zinc/59/93/16/556599316.db2.gz	QKMYCIHZVJKDMO-CUAHWVMCSA-N	-1	3	433.167	-1.015	50	0		IAAAHM