smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CNC(CO)(CO)CO)C2=O)cc1C	ZINC000019596852	556831040	/nfs/dbraw/zinc/83/10/40/556831040.db2.gz	YOQZCZOYVFKJNG-WZUFQYTHSA-N	-1	0	442.266	-0.162	40	10		IBCBRM
O=C([O-])c1cc(O)c2c(c1)C(=O)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O	ZINC000033833518	560087889	/nfs/dbraw/zinc/08/78/89/560087889.db2.gz	WYKUTTFFZMQCGO-HTRBZNBPSA-N	-1	0	446.364	-0.956	40	10	biogenic,in-vitro	IBCBRM
O=C([O-])c1cc(O)c2c(c1)C(=O)c1cccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O	ZINC000038562228	569260327	/nfs/dbraw/zinc/26/03/27/569260327.db2.gz	WYKUTTFFZMQCGO-QRENLQJDSA-N	-1	0	446.364	-0.956	40	10		IBCBRM
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000059490005	557826355	/nfs/dbraw/zinc/82/63/55/557826355.db2.gz	PWFRBIDCSGDBHY-UHFFFAOYSA-N	-1	0	426.411	-0.208	40	10		IBCBRM
O=C1[N-]C(=O)C(=CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCCC2)C(=O)N1	ZINC000059490010	557826288	/nfs/dbraw/zinc/82/62/88/557826288.db2.gz	BDDIGMLHHUIJGV-UHFFFAOYSA-N	-1	0	438.422	-0.064	40	10		IBCBRM
Cc1cc(N2C(=O)[N-]C(=O)C(=CNC(CO)(CO)CO)C2=O)ccc1Br	ZINC000408533686	555747630	/nfs/dbraw/zinc/74/76/30/555747630.db2.gz	OUJAHJXXIUBOFF-VZUCSPMQSA-N	-1	0	428.239	-0.470	40	10		IBCBRM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(I)c1OCC(N)=O	ZINC000409219657	557013347	/nfs/dbraw/zinc/01/33/47/557013347.db2.gz	SWGOJVFXWXRNML-UHFFFAOYSA-N	-1	0	445.169	-0.087	40	10		IBCBRM