smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N=Cc2c(O)[nH]c(=S)[nH]c2=O)cc1NC=C1C(=O)NC(=S)NC1=O	ZINC000003066977	569439746	/nfs/dbraw/zinc/43/97/46/569439746.db2.gz	OQEJGPQLLNXCIS-UHFFFAOYSA-N	0	2	430.471	-0.352	40	10		IBCBLN
Cc1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1N=Cc1c(O)[nH]c(=S)[nH]c1=O	ZINC000003066977	569439745	/nfs/dbraw/zinc/43/97/45/569439745.db2.gz	OQEJGPQLLNXCIS-UHFFFAOYSA-N	0	2	430.471	-0.352	40	10		IBCBLN
Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNC(CO)(CO)CO)C2=O)cc1C	ZINC000019596852	556831044	/nfs/dbraw/zinc/83/10/44/556831044.db2.gz	YOQZCZOYVFKJNG-WZUFQYTHSA-N	0	2	442.266	-0.162	40	10		IBCBLN
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC=C1C(=O)NC(=O)NC1=O	ZINC000059490005	557826356	/nfs/dbraw/zinc/82/63/56/557826356.db2.gz	PWFRBIDCSGDBHY-UHFFFAOYSA-N	0	2	426.411	-0.208	40	10		IBCBLN
O=C1NC(=O)C(=CNNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCCC2)C(=O)N1	ZINC000059490010	557826292	/nfs/dbraw/zinc/82/62/92/557826292.db2.gz	BDDIGMLHHUIJGV-UHFFFAOYSA-N	0	2	438.422	-0.064	40	10		IBCBLN
Cc1cc(N2C(=O)NC(=O)C(=CNC(CO)(CO)CO)C2=O)ccc1Br	ZINC000408533686	555747634	/nfs/dbraw/zinc/74/76/34/555747634.db2.gz	OUJAHJXXIUBOFF-VZUCSPMQSA-N	0	2	428.239	-0.470	40	10		IBCBLN
CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNC(CO)(CO)CO)C1=O	ZINC000408534970	555741982	/nfs/dbraw/zinc/74/19/82/555741982.db2.gz	RZEYNQITQYILIQ-WUXMJOGZSA-N	0	2	442.266	-0.217	40	10		IBCBLN