smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c2c([nH]c(=O)[nH]c2=O)n1[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000004096075	206259988	/nfs/dbraw/zinc/25/99/88/206259988.db2.gz	YWNXQSHHYSTFPH-UMMCILCDSA-N	-3	3	380.206	-3.565	10	0	in-vitro	GAAEHL
CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000005274109	204123661	/nfs/dbraw/zinc/12/36/61/204123661.db2.gz	KDZIGQIDPXKMBA-SBMIAAHKSA-N	-2	3	390.393	-3.003	10	0		GAAEHL
NC(=O)CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000015721859	570218269	/nfs/dbraw/zinc/21/82/69/570218269.db2.gz	ATYWBXGNXZYZGI-ACZMJKKPSA-N	-2	3	375.338	-4.017	10	0		GAAEHL
C[C@H](NC(=O)[C@@H](CCC(=O)[O-])NC(=O)CNC(=O)[C@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000098043706	209243997	/nfs/dbraw/zinc/24/39/97/209243997.db2.gz	HZHXMUPSBUKRBW-XLPZGREQSA-N	-3	3	390.349	-3.157	10	0		GAAEHL
C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)[C@H](N)CC(=O)[O-])C(=O)[O-]	ZINC000098043708	212157122	/nfs/dbraw/zinc/15/71/22/212157122.db2.gz	HZHXMUPSBUKRBW-RNJXMRFFSA-N	-3	3	390.349	-3.157	10	0		GAAEHL
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](/C=C/CP(=O)([O-])[O-])C(=O)[O-]	ZINC000238745852	206280296	/nfs/dbraw/zinc/28/02/96/206280296.db2.gz	DDLKXVROBQHLLI-MFJXDXPJSA-N	-3	3	380.294	-3.003	10	0		GAAEHL