smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1C[C@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@]([N+](=O)[O-])(C1)C2	ZINC000004580995	290312383	/nfs/dbraw/zinc/31/23/83/290312383.db2.gz	VSNUYZMIBHERJG-VHSXEESVSA-N	0	1	271.229	-0.232	40	5		CBBBMN
C[N@H+]1C[C@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@]([N+](=O)[O-])(C1)C2	ZINC000004580995	290312385	/nfs/dbraw/zinc/31/23/85/290312385.db2.gz	VSNUYZMIBHERJG-VHSXEESVSA-N	0	1	271.229	-0.232	40	5		CBBBMN
CC/C=c1/[nH]c(=O)/c(=C/c2ccccc2[N+](=O)[O-])[nH]c1=O	ZINC000101631547	351783606	/nfs/dbraw/zinc/78/36/06/351783606.db2.gz	CROPTAWTPILLRP-REZFLJOXSA-N	0	1	287.275	-0.009	40	5		CBBBMN
O=C([O-])C[N@H+]1C[C@]2([N+](=O)[O-])C=CC[C@]([N+](=O)[O-])(C1)C2	ZINC000002381258	304067876	/nfs/dbraw/zinc/06/78/76/304067876.db2.gz	VIEUWZGHQLHPEB-VHSXEESVSA-N	0	1	271.229	-0.232	40	5		CBBBMN
O=C([O-])C[N@@H+]1C[C@]2([N+](=O)[O-])C=CC[C@]([N+](=O)[O-])(C1)C2	ZINC000002381258	304067878	/nfs/dbraw/zinc/06/78/78/304067878.db2.gz	VIEUWZGHQLHPEB-VHSXEESVSA-N	0	1	271.229	-0.232	40	5		CBBBMN
C[N+](C)(C)CCO[P@](=O)([O-])OC[C@@H](O)CO	ZINC000001842903	351306982	/nfs/dbraw/zinc/30/69/82/351306982.db2.gz	SUHOQUVVVLNYQR-QMMMGPOBSA-O	0	1	258.231	-0.821	40	5	endogenous,in-man	CBBBMN
CC/C=c1\[nH]c(=O)/c(=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O	ZINC000104203186	351789144	/nfs/dbraw/zinc/78/91/44/351789144.db2.gz	DJNUJEQJHKYEHT-ZDOOHRHUSA-N	0	1	287.275	-0.009	40	5		CBBBMN
CC/C=c1\[nH]c(=O)/c(=C\c2ccc([N+](=O)[O-])cc2)[nH]c1=O	ZINC000104203189	351789944	/nfs/dbraw/zinc/78/99/44/351789944.db2.gz	DJNUJEQJHKYEHT-KBHQGDGFSA-N	0	1	287.275	-0.009	40	5		CBBBMN
CC/C=c1/[nH]c(=O)/c(=C\c2ccc([N+](=O)[O-])cc2)[nH]c1=O	ZINC000017108906	278166180	/nfs/dbraw/zinc/16/61/80/278166180.db2.gz	DJNUJEQJHKYEHT-ZOADREODSA-N	0	1	287.275	-0.009	40	5		CBBBMN
CCOC(Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O)OCC	ZINC000002022426	351306517	/nfs/dbraw/zinc/30/65/17/351306517.db2.gz	WGCCSNBLUIWIRK-UHFFFAOYSA-N	0	1	273.245	-0.156	40	5		CBBBMN
CC/C=c1/[nH]c(=O)/c(=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O	ZINC000017108910	351346367	/nfs/dbraw/zinc/34/63/67/351346367.db2.gz	DJNUJEQJHKYEHT-SOWAGGARSA-N	0	1	287.275	-0.009	40	5		CBBBMN
N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(CCO)CC1	ZINC000225245534	352247005	/nfs/dbraw/zinc/24/70/05/352247005.db2.gz	JEMDVIJDRSPHOS-UHFFFAOYSA-N	0	1	294.315	-0.054	40	5		CBBBMN
C[N@@H+]1C[C@@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@@]([N+](=O)[O-])(C1)C2	ZINC000003624163	290296736	/nfs/dbraw/zinc/29/67/36/290296736.db2.gz	VSNUYZMIBHERJG-ZJUUUORDSA-N	0	1	271.229	-0.232	40	5		CBBBMN
C[N@H+]1C[C@@]2([N+](=O)[O-])CC=C(C(=O)[O-])[C@@]([N+](=O)[O-])(C1)C2	ZINC000003624163	290296739	/nfs/dbraw/zinc/29/67/39/290296739.db2.gz	VSNUYZMIBHERJG-ZJUUUORDSA-N	0	1	271.229	-0.232	40	5		CBBBMN