smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccc(Br)cc1	ZINC000004292729	552456965	/nfs/dbraw/zinc/45/69/65/552456965.db2.gz	ZNHIMTIUPMNVBA-FPOVZHCZSA-N	-2	3	519.311	3.974	40	5		KHBBHL
O=C(c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccc(Br)cc1	ZINC000100354590	554334034	/nfs/dbraw/zinc/33/40/34/554334034.db2.gz	ZNHIMTIUPMNVBA-TZIWHRDSSA-N	-2	3	519.311	3.974	40	5		KHBBHL
O=C(c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccc(Br)cc1	ZINC000100354592	554333972	/nfs/dbraw/zinc/33/39/72/554333972.db2.gz	ZNHIMTIUPMNVBA-CTNGQTDRSA-N	-2	3	519.311	3.974	40	5		KHBBHL
O=C(c1[n-]n(-c2ccccc2)c2c([O-])n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2)c1ccc(Br)cc1	ZINC000100354595	554333936	/nfs/dbraw/zinc/33/39/36/554333936.db2.gz	ZNHIMTIUPMNVBA-PZJWPPBQSA-N	-2	3	519.311	3.974	40	5		KHBBHL
O=C(c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccccc1	ZINC000103769191	555474443	/nfs/dbraw/zinc/47/44/43/555474443.db2.gz	AZZZWLALWBCIFB-TZIWHRDSSA-N	-2	3	519.311	3.974	40	5		KHBBHL
O=C(c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccccc1	ZINC000103769194	555474419	/nfs/dbraw/zinc/47/44/19/555474419.db2.gz	AZZZWLALWBCIFB-CTNGQTDRSA-N	-2	3	519.311	3.974	40	5		KHBBHL
O=C(c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccccc1	ZINC000103769197	555474465	/nfs/dbraw/zinc/47/44/65/555474465.db2.gz	AZZZWLALWBCIFB-PZJWPPBQSA-N	-2	3	519.311	3.974	40	5		KHBBHL
O=C(c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2)c1ccccc1	ZINC000103769201	555474365	/nfs/dbraw/zinc/47/43/65/555474365.db2.gz	AZZZWLALWBCIFB-FPOVZHCZSA-N	-2	3	519.311	3.974	40	5		KHBBHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)c1	ZINC000107770063	571421169	/nfs/dbraw/zinc/42/11/69/571421169.db2.gz	UQJSXAYNYPYIAU-UHFFFAOYSA-N	-2	3	512.363	3.959	40	5		KHBBHL
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	ZINC000408907804	1066605546	/nfs/dbraw/zinc/60/55/46/1066605546.db2.gz	SGJMJPJYHIAONR-UHFFFAOYSA-N	-2	3	507.546	3.522	40	5		KHBBHL
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(Br)c3[O-])c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	ZINC000409180920	1066759259	/nfs/dbraw/zinc/75/92/59/1066759259.db2.gz	UXRALLGXBFBQNV-HVRVZBDQSA-N	-2	3	653.305	3.951	40	5		KHBBHL
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)c([O-])c(Br)c3[O-])c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	ZINC000409180923	1066759160	/nfs/dbraw/zinc/75/91/60/1066759160.db2.gz	UXRALLGXBFBQNV-SCFJZMLDSA-N	-2	3	653.305	3.951	40	5		KHBBHL