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)c1ccc(N2C(=O)NC(=O)C(=CN[C@H]3[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]3O)C2=O)cc1	ZINC000026787902	557503660	/nfs/dbraw/zinc/50/36/60/557503660.db2.gz	QBDUZKIFDIEYBR-UGKKJLQZSA-N	0	2	435.433	-1.334	40	10		IACBLN
CC(C)c1ccc(N2C(=O)NC(=O)C(=CN[C@@H]3[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]3O)C2=O)cc1	ZINC000026787904	557503601	/nfs/dbraw/zinc/50/36/01/557503601.db2.gz	QBDUZKIFDIEYBR-HUTGRTHLSA-N	0	2	435.433	-1.334	40	10		IACBLN
CC(C)c1ccc(N2C(=O)NC(=O)C(=CN[C@H]3[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]3O)C2=O)cc1	ZINC000035423031	519836763	/nfs/dbraw/zinc/83/67/63/519836763.db2.gz	QBDUZKIFDIEYBR-AFRHIPKGSA-N	0	2	435.433	-1.334	40	10		IACBLN
CC(C)c1ccc(N2C(=O)NC(=O)C(=CN[C@@H]3[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]3O)C2=O)cc1	ZINC000035423034	519836733	/nfs/dbraw/zinc/83/67/33/519836733.db2.gz	QBDUZKIFDIEYBR-PDRJHTPESA-N	0	2	435.433	-1.334	40	10		IACBLN
O=C1NC(=O)C(=CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C(=O)N1	ZINC000059490011	557826312	/nfs/dbraw/zinc/82/63/12/557826312.db2.gz	WYZVVLASYMZJRR-UHFFFAOYSA-N	0	2	440.394	-1.218	40	10		IACBLN