smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)C(=Cc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)C(=O)N1	ZINC000003844920	483408838	/nfs/dbraw/zinc/40/88/38/483408838.db2.gz	HJQMLZUVYVHJQL-UHFFFAOYSA-N	0	2	354.278	-0.815	50	10		FBCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNC(CO)(CO)CO	ZINC000005635662	483416009	/nfs/dbraw/zinc/41/60/09/483416009.db2.gz	GBFLLINKZCAFII-WZUFQYTHSA-N	0	2	369.761	-0.888	50	10		FBCALN
CCOc1ccc(N2C(=O)NC(=O)C(=CNC(C)(CO)CO)C2=O)cc1	ZINC000006573400	485252877	/nfs/dbraw/zinc/25/28/77/485252877.db2.gz	BAFRQJQVFVUNMJ-JYRVWZFOSA-N	0	2	363.370	-0.115	50	10		FBCALN
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNC12CN3CN(CN(C3)C1)C2	ZINC000019325847	483485523	/nfs/dbraw/zinc/48/55/23/483485523.db2.gz	QZHVBDWXAFJEPZ-NSIKDUERSA-N	0	2	368.397	-0.699	50	10		FBCALN
O=C(c1ccccc1)N1CCN(CCNC=C2C(=O)NC(=O)NC2=O)CC1	ZINC000019907389	526793657	/nfs/dbraw/zinc/79/36/57/526793657.db2.gz	XYELICXIDBZGQA-UHFFFAOYSA-N	0	2	371.397	-0.716	50	10		FBCALN
Cc1ccc(N2C(=O)NC(=O)C(=CNC(CO)(CO)CO)C2=O)cc1C	ZINC000100101821	483833862	/nfs/dbraw/zinc/83/38/62/483833862.db2.gz	FXGWQHDETPIPSD-MLPAPPSSSA-N	0	2	363.370	-0.925	50	10		FBCALN
CCOc1ccc(N2C(=O)NC(=O)C(=CNC(C)(CO)CO)C2=O)cc1	ZINC000100332706	132232382	/nfs/dbraw/zinc/23/23/82/132232382.db2.gz	BAFRQJQVFVUNMJ-MDWZMJQESA-N	0	2	363.370	-0.115	50	10		FBCALN
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNC(CO)(CO)CO	ZINC000100647012	132233035	/nfs/dbraw/zinc/23/30/35/132233035.db2.gz	GBFLLINKZCAFII-VZUCSPMQSA-N	0	2	369.761	-0.888	50	10		FBCALN