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-])C1C(C(=O)[O-])C(C(=O)O)C1C(=O)[O-]	ZINC000000161360	188099132	/nfs/dbraw/zinc/09/91/32/188099132.db2.gz	CURBACXRQKTCKZ-UHFFFAOYSA-N	-3	2	232.144	-1.197	50	0	in-vitro	BAAALL
O=P([O-])(O)CNC[P@@](=O)([O-])O	ZINC000004521601	384063343	/nfs/dbraw/zinc/06/33/43/384063343.db2.gz	ISQSUCKLLKRTBZ-UHFFFAOYSA-N	-2	2	205.043	-1.154	50	0		BAAALL
O=P([O-])(O)CNC[P@](=O)([O-])O	ZINC000004521601	384063332	/nfs/dbraw/zinc/06/33/32/384063332.db2.gz	ISQSUCKLLKRTBZ-UHFFFAOYSA-N	-2	2	205.043	-1.154	50	0		BAAALL
O=P([O-])(O)CN(CO)C[P@](=O)([O-])O	ZINC000005494317	384118873	/nfs/dbraw/zinc/11/88/73/384118873.db2.gz	RHYAXTRPVUDBMT-UHFFFAOYSA-N	-2	2	235.069	-1.491	50	0		BAAALL
O=P([O-])(O)CN(CO)C[P@@](=O)([O-])O	ZINC000005494317	384118867	/nfs/dbraw/zinc/11/88/67/384118867.db2.gz	RHYAXTRPVUDBMT-UHFFFAOYSA-N	-2	2	235.069	-1.491	50	0		BAAALL
O=P([O-])(O)C[C@@H](O)[P@](=O)([O-])O	ZINC000005829758	384132393	/nfs/dbraw/zinc/13/23/93/384132393.db2.gz	VPTUPAVOBUEXMZ-REOHCLBHSA-N	-2	2	206.027	-1.340	50	0		BAAALL
O=P([O-])(O)C[C@@H](O)[P@@](=O)([O-])O	ZINC000005829758	384132390	/nfs/dbraw/zinc/13/23/90/384132390.db2.gz	VPTUPAVOBUEXMZ-REOHCLBHSA-N	-2	2	206.027	-1.340	50	0		BAAALL
O=P([O-])(O)[C@H](O)C[P@](=O)([O-])O	ZINC000005829758	384132385	/nfs/dbraw/zinc/13/23/85/384132385.db2.gz	VPTUPAVOBUEXMZ-REOHCLBHSA-N	-2	2	206.027	-1.340	50	0		BAAALL
O=P([O-])(O)[C@H](O)C[P@@](=O)([O-])O	ZINC000005829758	384132374	/nfs/dbraw/zinc/13/23/74/384132374.db2.gz	VPTUPAVOBUEXMZ-REOHCLBHSA-N	-2	2	206.027	-1.340	50	0		BAAALL
O=P([O-])(O)C[C@H](O)[P@](=O)([O-])O	ZINC000005830301	384133330	/nfs/dbraw/zinc/13/33/30/384133330.db2.gz	VPTUPAVOBUEXMZ-UWTATZPHSA-N	-2	2	206.027	-1.340	50	0		BAAALL
O=P([O-])(O)C[C@H](O)[P@@](=O)([O-])O	ZINC000005830301	384133325	/nfs/dbraw/zinc/13/33/25/384133325.db2.gz	VPTUPAVOBUEXMZ-UWTATZPHSA-N	-2	2	206.027	-1.340	50	0		BAAALL
O=P([O-])(O)[C@@H](O)C[P@](=O)([O-])O	ZINC000005830301	384133323	/nfs/dbraw/zinc/13/33/23/384133323.db2.gz	VPTUPAVOBUEXMZ-UWTATZPHSA-N	-2	2	206.027	-1.340	50	0		BAAALL
O=P([O-])(O)[C@@H](O)C[P@@](=O)([O-])O	ZINC000005830301	384133317	/nfs/dbraw/zinc/13/33/17/384133317.db2.gz	VPTUPAVOBUEXMZ-UWTATZPHSA-N	-2	2	206.027	-1.340	50	0		BAAALL
CNC(=O)NC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000024978669	173288579	/nfs/dbraw/zinc/28/85/79/173288579.db2.gz	BIVVIPSBXANUSE-UHFFFAOYSA-N	-2	2	248.068	-1.446	50	0		BAAALL
CNC(=O)NC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000024978669	173288578	/nfs/dbraw/zinc/28/85/78/173288578.db2.gz	BIVVIPSBXANUSE-UHFFFAOYSA-N	-2	2	248.068	-1.446	50	0		BAAALL
Cn1c2nc(=S)[nH]nc2c(=O)[nH]c1=O	ZINC000101379188	386617560	/nfs/dbraw/zinc/61/75/60/386617560.db2.gz	PTHRVFWIIFUAPL-UHFFFAOYSA-N	-2	2	211.206	-1.300	50	0		BAAALL
O=C([O-])C1[C@@H](C(=O)O)[C@H](C(=O)[O-])[C@H]1C(=O)[O-]	ZINC000261492795	385814244	/nfs/dbraw/zinc/81/42/44/385814244.db2.gz	CURBACXRQKTCKZ-KABNFZCHSA-N	-3	2	232.144	-1.197	50	0		BAAALL
O=C([O-])[C@H]1C(C(=O)O)[C@@H](C(=O)[O-])[C@@H]1C(=O)[O-]	ZINC000261492795	385814241	/nfs/dbraw/zinc/81/42/41/385814241.db2.gz	CURBACXRQKTCKZ-KABNFZCHSA-N	-3	2	232.144	-1.197	50	0		BAAALL