smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)[N-]C1=S	ZINC000231239575	569288393	/nfs/dbraw/zinc/28/83/93/569288393.db2.gz	KPTWWXOYGZHTHK-WEVVVXLNSA-N	-2	1	412.221	1.876	40	30		HDEBML
C=CCN1C(=O)/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)[N-]C1=S	ZINC000408902849	560652345	/nfs/dbraw/zinc/65/23/45/560652345.db2.gz	MECWEFVXZBIYCO-XBXARRHUSA-N	-2	1	412.221	1.876	40	30		HDEBML
Cn1c2ccccc2c([O-])c(-c2[n-][nH]c(=O)c2N=Nc2ccc([N+](=O)[O-])cc2)c1=O	ZINC000100353808	559134327	/nfs/dbraw/zinc/13/43/27/559134327.db2.gz	FLWFQLBLGJVKNI-UHFFFAOYSA-N	-2	1	406.358	1.454	40	30		HDEBML
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OC)c2)C(=O)[N-]C1=S	ZINC000408902782	560652176	/nfs/dbraw/zinc/65/21/76/560652176.db2.gz	LGBFQJVXAYFCIS-BJMVGYQFSA-N	-2	1	410.835	1.625	40	30		HDEBML
C=CCc1cc(C=C2C(=O)[N-]C(=S)N(CC=C)C2=O)cc(OC)c1OCC(=O)[O-]	ZINC000408900996	560651357	/nfs/dbraw/zinc/65/13/57/560651357.db2.gz	BKIPHEYHJSIJPW-NTEUORMPSA-N	-2	1	416.455	1.700	40	30		HDEBML