smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC(CO)(CO)CO)C2=O)c(C)c1	ZINC000008301985	483426132	/nfs/dbraw/zinc/42/61/32/483426132.db2.gz	QGOSLONWXUIZPL-WUXMJOGZSA-N	-1	0	363.370	-0.925	40	10		FBCBRM
O=C([O-])[C@@]1(O)C[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)[C@@H](O)[C@@H](O)C1	ZINC000013382393	207460006	/nfs/dbraw/zinc/46/00/06/207460006.db2.gz	CWVRJTMFETXNAD-WMDQJISTSA-N	-1	0	354.311	-0.646	40	10	endogenous,in-man	FBCBRM
O=C([O-])[C@]1(O)C[C@H](O)[C@H](O)[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000013382394	210182517	/nfs/dbraw/zinc/18/25/17/210182517.db2.gz	CWVRJTMFETXNAD-UTOCKLIDSA-N	-1	0	354.311	-0.646	40	10	in-man	FBCBRM
O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000013783510	211059881	/nfs/dbraw/zinc/05/98/81/211059881.db2.gz	CWVRJTMFETXNAD-OELDUEEWSA-N	-1	0	354.311	-0.646	40	10	biogenic,in-vitro	FBCBRM
O=C([O-])[C@@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000014918972	483830440	/nfs/dbraw/zinc/83/04/40/483830440.db2.gz	CWVRJTMFETXNAD-BNPWMBDXSA-N	-1	0	354.311	-0.646	40	10	endogenous,in-man	FBCBRM
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@]1(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@H](O)C1	ZINC000100059665	483829797	/nfs/dbraw/zinc/82/97/97/483829797.db2.gz	GWTUHAXUUFROTF-JUHZACGLSA-N	-1	0	354.311	-0.646	40	10	biogenic,in-vitro	FBCBRM
O=C([O-])[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)C1	ZINC000100070393	222234808	/nfs/dbraw/zinc/23/48/08/222234808.db2.gz	GYFFKZTYYAFCTR-UCEFVAKBSA-N	-1	0	354.311	-0.646	40	10	biogenic,in-vitro	FBCBRM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNC(CO)(CO)CO)C2=O)c(C)c1	ZINC000100958870	132233562	/nfs/dbraw/zinc/23/35/62/132233562.db2.gz	QGOSLONWXUIZPL-SDQBBNPISA-N	-1	0	363.370	-0.925	40	10		FBCBRM
O=C(/C=C/c1ccc(O)c(O)c1)O[C@@]1(C(=O)[O-])C[C@H](O)[C@@H](O)[C@@H](O)C1	ZINC000104830365	209262604	/nfs/dbraw/zinc/26/26/04/209262604.db2.gz	GWTUHAXUUFROTF-KJOPMHRFSA-N	-1	0	354.311	-0.646	40	10		FBCBRM
Cn1c2cc(NC=C3C(=O)[N-]C(=O)N(C)C3=O)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000408529866	483397515	/nfs/dbraw/zinc/39/75/15/483397515.db2.gz	IEOQJLFFSYJWEP-VOTSOKGWSA-N	-1	0	374.313	-0.211	40	10		FBCBRM
O=c1[nH]c2cc(NC=C3C(=O)[N-]C(=O)NC3=O)c(N3CCOCC3)cc2[nH]1	ZINC000408531777	483398008	/nfs/dbraw/zinc/39/80/08/483398008.db2.gz	LOEDLNDOLIBPAB-UHFFFAOYSA-N	-1	0	372.341	-0.233	40	10		FBCBRM
Cn1c2cc(NC=C3C(=O)[N-]C(=O)NC3=O)c([N+](=O)[O-])cc2n(C)c1=O	ZINC000408534775	483398075	/nfs/dbraw/zinc/39/80/75/483398075.db2.gz	RDPOARLNMFKJNW-UHFFFAOYSA-N	-1	0	360.286	-0.553	40	10		FBCBRM