smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](O)C[NH+]1CCC(CN(C)Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000105862177	194149195	/nfs/dbraw/zinc/14/91/95/194149195.db2.gz	JZAUYNRULUXNAJ-AWEZNQCLSA-N	1	3	321.421	2.119	10	5		DEBEHO
C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccccc2[N+](=O)[O-])CC1	ZINC000105862259	194149929	/nfs/dbraw/zinc/14/99/29/194149929.db2.gz	NNRHWKQGVCWOGW-AWEZNQCLSA-N	1	3	321.421	2.119	10	5		DEBEHO
CCN1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1	ZINC000522059558	406388333	/nfs/dbraw/zinc/38/83/33/406388333.db2.gz	QZQLTMSYROFPKB-ILXRZTDVSA-N	1	3	321.425	2.206	10	5		DEBEHO
C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccccc2[N+](=O)[O-])CC1	ZINC000105862261	194149597	/nfs/dbraw/zinc/14/95/97/194149597.db2.gz	NNRHWKQGVCWOGW-CQSZACIVSA-N	1	3	321.421	2.119	10	5		DEBEHO
C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000105862178	194148686	/nfs/dbraw/zinc/14/86/86/194148686.db2.gz	JZAUYNRULUXNAJ-CQSZACIVSA-N	1	3	321.421	2.119	10	5		DEBEHO
CCN1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1	ZINC000522059560	406388158	/nfs/dbraw/zinc/38/81/58/406388158.db2.gz	QZQLTMSYROFPKB-QLFBSQMISA-N	1	3	321.425	2.206	10	5		DEBEHO
CCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1	ZINC000522059559	406387851	/nfs/dbraw/zinc/38/78/51/406387851.db2.gz	QZQLTMSYROFPKB-KFWWJZLASA-N	1	3	321.425	2.206	10	5		DEBEHO
CN(C)C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000113513571	401781465	/nfs/dbraw/zinc/78/14/65/401781465.db2.gz	NEQRXEGARFIULQ-AWEZNQCLSA-N	1	3	307.394	2.247	10	5		DEBEHO
CN(C)C[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000113513571	401781466	/nfs/dbraw/zinc/78/14/66/401781466.db2.gz	NEQRXEGARFIULQ-AWEZNQCLSA-N	1	3	307.394	2.247	10	5		DEBEHO
CCN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1	ZINC000522059561	406387911	/nfs/dbraw/zinc/38/79/11/406387911.db2.gz	QZQLTMSYROFPKB-RBSFLKMASA-N	1	3	321.425	2.206	10	5		DEBEHO
CN(C)C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000113513574	401781686	/nfs/dbraw/zinc/78/16/86/401781686.db2.gz	NEQRXEGARFIULQ-CQSZACIVSA-N	1	3	307.394	2.247	10	5		DEBEHO
CN(C)C[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000113513574	401781688	/nfs/dbraw/zinc/78/16/88/401781688.db2.gz	NEQRXEGARFIULQ-CQSZACIVSA-N	1	3	307.394	2.247	10	5		DEBEHO
[NH3+]CCCCNCc1cc(Br)ccc1[N+](=O)[O-]	ZINC000122072572	195397039	/nfs/dbraw/zinc/39/70/39/195397039.db2.gz	IGYVIBILFIPNQW-UHFFFAOYSA-N	1	3	302.172	2.186	10	5		DEBEHO