smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H](N)C(=O)O[C@H]1[C@H](CO)O[C@H](n2ccc(N)nc2=O)[C@@]1(C)O	ZINC000040567699	205072173	/nfs/dbraw/zinc/07/21/73/205072173.db2.gz	TVRCRTJYMVTEFS-WJNANMDESA-N	0	1	356.379	-1.639	1	0		FAAFMN
CC(C)[C@@H](N)C(=O)O[C@H]1[C@H](CO)O[C@H](n2ccc(N)nc2=O)[C@@]1(C)O	ZINC000040567701	205071761	/nfs/dbraw/zinc/07/17/61/205071761.db2.gz	TVRCRTJYMVTEFS-KFOGKVHZSA-N	0	1	356.379	-1.639	1	0		FAAFMN
CC(C)[C@@H](N)C(=O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1O	ZINC000040915221	205084903	/nfs/dbraw/zinc/08/49/03/205084903.db2.gz	BMEANLWXFGBEDK-UDTSGEQISA-N	0	1	366.378	-1.446	1	0		FAAFMN
CCOC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2c[nH]cn2)C1=O	ZINC000049088226	205169472	/nfs/dbraw/zinc/16/94/72/205169472.db2.gz	GRXYUGGSZNLVFT-QWRGUYRKSA-N	0	1	351.363	-1.524	1	0		FAAFMN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@H](C[NH3+])[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000169339545	206251992	/nfs/dbraw/zinc/25/19/92/206251992.db2.gz	AKGJWRIYHOUJFK-VQPBACBFSA-N	0	1	374.294	-2.077	1	0		FAAFMN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@@H](C[NH3+])[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000169339547	206251435	/nfs/dbraw/zinc/25/14/35/206251435.db2.gz	AKGJWRIYHOUJFK-MACXSXHHSA-N	0	1	374.294	-2.077	1	0		FAAFMN
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)CNC(=O)CN)O2)c(=O)[nH]c1=O	ZINC000061922249	205289821	/nfs/dbraw/zinc/28/98/21/205289821.db2.gz	LKWGPCDSTRWQJF-YGOYTEALSA-N	0	1	355.351	-3.315	3	0		FAAFMN