smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(Oc2ccc(CN[C@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)CC1	ZINC000571933105	823256372	/nfs/dbraw/zinc/25/63/72/823256372.db2.gz	VYRBXEJZKVAEND-QHCPKHFHSA-N	1	3	395.503	4.235	20	5		GIBDHO
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CCC2	ZINC000569588433	822942780	/nfs/dbraw/zinc/94/27/80/822942780.db2.gz	YPQTUBMXIRIEQC-XXBNENTESA-N	1	3	379.504	4.126	20	5		GIBDHO
CCC[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1	ZINC000182244004	822165097	/nfs/dbraw/zinc/16/50/97/822165097.db2.gz	YZMGMVUZDTXKEN-PKTZIBPZSA-N	1	3	397.519	4.183	20	5		GIBDHO
CCC[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1	ZINC000182244004	822165102	/nfs/dbraw/zinc/16/51/02/822165102.db2.gz	YZMGMVUZDTXKEN-PKTZIBPZSA-N	1	3	397.519	4.183	20	5		GIBDHO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCN(CCc3ccccc3)C1)CCC2	ZINC000569588428	822942809	/nfs/dbraw/zinc/94/28/09/822942809.db2.gz	YPQTUBMXIRIEQC-AUSIDOKSSA-N	1	3	379.504	4.126	20	5		GIBDHO
CCC[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1	ZINC000182244019	822165002	/nfs/dbraw/zinc/16/50/02/822165002.db2.gz	YZMGMVUZDTXKEN-DHIUTWEWSA-N	1	3	397.519	4.183	20	5		GIBDHO
CCC[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1	ZINC000182244019	822165009	/nfs/dbraw/zinc/16/50/09/822165009.db2.gz	YZMGMVUZDTXKEN-DHIUTWEWSA-N	1	3	397.519	4.183	20	5		GIBDHO
CCC[C@@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000414311426	823955896	/nfs/dbraw/zinc/95/58/96/823955896.db2.gz	UWVMQXHXJYCTFR-JOCHJYFZSA-N	1	3	397.519	4.053	20	5		GIBDHO
C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)CC1	ZINC000571933104	823256401	/nfs/dbraw/zinc/25/64/01/823256401.db2.gz	VYRBXEJZKVAEND-HSZRJFAPSA-N	1	3	395.503	4.235	20	5		GIBDHO
CCC[C@H]([NH2+]CC1(O)CCN(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1	ZINC000414311427	823955978	/nfs/dbraw/zinc/95/59/78/823955978.db2.gz	UWVMQXHXJYCTFR-QFIPXVFZSA-N	1	3	397.519	4.053	20	5		GIBDHO
O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CCC2	ZINC000569588430	822942792	/nfs/dbraw/zinc/94/27/92/822942792.db2.gz	YPQTUBMXIRIEQC-CVDCTZTESA-N	1	3	379.504	4.126	20	5		GIBDHO
O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(CCc3ccccc3)C1)CCC2	ZINC000569588432	822942692	/nfs/dbraw/zinc/94/26/92/822942692.db2.gz	YPQTUBMXIRIEQC-WMZHIEFXSA-N	1	3	379.504	4.126	20	5		GIBDHO