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)[N-]C(=O)C(=CN[C@H]3[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]3O)C2=O)cc1	ZINC000026787902	557503658	/nfs/dbraw/zinc/50/36/58/557503658.db2.gz	QBDUZKIFDIEYBR-UGKKJLQZSA-N	-1	0	435.433	-1.334	40	10		IACBRM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CN[C@@H]3[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]3O)C2=O)cc1	ZINC000026787904	557503599	/nfs/dbraw/zinc/50/35/99/557503599.db2.gz	QBDUZKIFDIEYBR-HUTGRTHLSA-N	-1	0	435.433	-1.334	40	10		IACBRM
O=C1c2cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2C(=O)c2c(O)cc(CO)cc21	ZINC000033831430	556638764	/nfs/dbraw/zinc/63/87/64/556638764.db2.gz	KIZBWUUJNJEYCM-JNHRPPPUSA-N	-1	0	432.381	-1.161	40	10	biogenic,in-vitro	IACBRM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CN[C@H]3[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]3O)C2=O)cc1	ZINC000035423031	519836762	/nfs/dbraw/zinc/83/67/62/519836762.db2.gz	QBDUZKIFDIEYBR-AFRHIPKGSA-N	-1	0	435.433	-1.334	40	10		IACBRM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CN[C@@H]3[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]3O)C2=O)cc1	ZINC000035423034	519836732	/nfs/dbraw/zinc/83/67/32/519836732.db2.gz	QBDUZKIFDIEYBR-PDRJHTPESA-N	-1	0	435.433	-1.334	40	10		IACBRM
O=C1[N-]C(=O)C(=CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C(=O)N1	ZINC000059490011	557826310	/nfs/dbraw/zinc/82/63/10/557826310.db2.gz	WYZVVLASYMZJRR-UHFFFAOYSA-N	-1	0	440.394	-1.218	40	10		IACBRM
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO[C@H]3O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O	ZINC001529050377	1068620597	/nfs/dbraw/zinc/62/05/97/1068620597.db2.gz	NFXAJWJJNLWLOV-JZXNTLOCSA-N	-1	0	443.369	-1.867	40	10		IACBRM