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([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H](c2nn[n-]n2)C1	ZINC001302936431	816758853	/nfs/dbraw/zinc/75/88/53/816758853.db2.gz	HWTIHPSHHAZFAY-RRKCRQDMSA-N	-1	2	252.234	-0.819	20	5		CBBDLM
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCSC[C@H]1c1nn[n-]n1	ZINC001448015792	913191273	/nfs/dbraw/zinc/19/12/73/913191273.db2.gz	HAULEZIKRKFOGP-QYNIQEEDSA-N	-1	2	284.301	-0.519	20	5		CBBDLM
O=C(NCCc1nc(=O)o[n-]1)c1ccc([N+](=O)[O-])c(O)c1	ZINC000392176292	420207910	/nfs/dbraw/zinc/20/79/10/420207910.db2.gz	VJVWQJQHFPVNQC-UHFFFAOYSA-N	-1	2	294.223	-0.051	20	5		CBBDLM
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@H](Cc2nn[n-]n2)C1	ZINC001177869903	820546337	/nfs/dbraw/zinc/54/63/37/820546337.db2.gz	FICKITCWKUISOQ-IWSPIJDZSA-N	-1	2	280.288	-0.354	20	5		CBBDLM
O=C(NCCc1nc(=O)o[n-]1)c1cc([N+](=O)[O-])ccc1O	ZINC000447633660	354301122	/nfs/dbraw/zinc/30/11/22/354301122.db2.gz	DHKKYACERIXAAE-UHFFFAOYSA-N	-1	2	294.223	-0.051	20	5		CBBDLM
Nc1cccc([N+](=O)[O-])c1C(=O)Nn1c(=O)[n-][nH]c1=O	ZINC000820289570	582562910	/nfs/dbraw/zinc/56/29/10/582562910.db2.gz	YFHKSHKFZRZSMI-UHFFFAOYSA-N	-1	2	280.200	-0.436	20	5		CBBDLM
CCC[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nn[n-]n1	ZINC001294421695	816539430	/nfs/dbraw/zinc/53/94/30/816539430.db2.gz	FNVXOBDHCCOEAE-FSDSQADBSA-N	-1	2	254.250	-0.178	20	5		CBBDLM
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCSC[C@@H]1c1nn[n-]n1	ZINC001448015784	913190868	/nfs/dbraw/zinc/19/08/68/913190868.db2.gz	HAULEZIKRKFOGP-FSDSQADBSA-N	-1	2	284.301	-0.519	20	5		CBBDLM
O=C([O-])C[C@@H](O)C(=O)Oc1ncc([N+](=O)[O-])c2[nH]cnc21	ZINC001227692596	825308020	/nfs/dbraw/zinc/30/80/20/825308020.db2.gz	AEWAPFSCCVOPKK-RXMQYKEDSA-N	-1	2	296.195	-0.393	20	5		CBBDLM
O=C([O-])C[C@H](O)C(=O)Oc1ncc([N+](=O)[O-])c2[nH]cnc21	ZINC001227692597	825308395	/nfs/dbraw/zinc/30/83/95/825308395.db2.gz	AEWAPFSCCVOPKK-YFKPBYRVSA-N	-1	2	296.195	-0.393	20	5		CBBDLM
CCC[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nn[n-]n1	ZINC001294421694	816539717	/nfs/dbraw/zinc/53/97/17/816539717.db2.gz	FNVXOBDHCCOEAE-DSYKOEDSSA-N	-1	2	254.250	-0.178	20	5		CBBDLM
CO[N-]C(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1O	ZINC001558636839	924188620	/nfs/dbraw/zinc/18/86/20/924188620.db2.gz	BWTFMGZLIQMATH-UHFFFAOYSA-N	-1	2	269.213	-0.292	20	5		CBBDLM
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H](c2nn[n-]n2)C1	ZINC001302936430	816758779	/nfs/dbraw/zinc/75/87/79/816758779.db2.gz	HWTIHPSHHAZFAY-FSDSQADBSA-N	-1	2	252.234	-0.819	20	5		CBBDLM
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nn[n-]n2)CC1	ZINC001174941730	820419162	/nfs/dbraw/zinc/41/91/62/820419162.db2.gz	WCQOFYMSKLXINO-HTQZYQBOSA-N	-1	2	266.261	-0.429	20	5		CBBDLM
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[C@@H](Cc2nn[n-]n2)C1	ZINC001177869891	820546803	/nfs/dbraw/zinc/54/68/03/820546803.db2.gz	FICKITCWKUISOQ-DJLDLDEBSA-N	-1	2	280.288	-0.354	20	5		CBBDLM
O=C(NCCc1nc(=O)o[n-]1)c1ccc([N+](=O)[O-])cc1O	ZINC000447634541	354301024	/nfs/dbraw/zinc/30/10/24/354301024.db2.gz	RJIIFLKZXCKDNA-UHFFFAOYSA-N	-1	2	294.223	-0.051	20	5		CBBDLM
O=C(Nn1c(=O)[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1O	ZINC000816731808	582481877	/nfs/dbraw/zinc/48/18/77/582481877.db2.gz	GEQLHYIEUJBYEJ-UHFFFAOYSA-N	-1	2	281.184	-0.313	20	5		CBBDLM
CCC(CC)(NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1nn[n-]n1	ZINC001297486978	816646040	/nfs/dbraw/zinc/64/60/40/816646040.db2.gz	CEHBRSPZFFKMEZ-RNFRBKRXSA-N	-1	2	268.277	-0.004	20	5		CBBDLM
O=C(NCc1n[nH]c(=O)[nH]1)c1cccc([N+](=O)[O-])c1[O-]	ZINC000156055687	207385581	/nfs/dbraw/zinc/38/55/81/207385581.db2.gz	HUZNBHKAMXZGQU-UHFFFAOYSA-N	-1	2	279.212	-0.358	20	5		CBBDLM
O=C(NCCc1nc(=O)o[n-]1)c1cc(O)ccc1[N+](=O)[O-]	ZINC000355495135	248182876	/nfs/dbraw/zinc/18/28/76/248182876.db2.gz	AATLITOCXHSYGQ-UHFFFAOYSA-N	-1	2	294.223	-0.051	20	5		CBBDLM
O=C([O-])[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1O	ZINC000833767960	583082849	/nfs/dbraw/zinc/08/28/49/583082849.db2.gz	VRPYGUGNYQUAOI-ZETCQYMHSA-N	-1	2	270.197	-0.524	20	5		CBBDLM
C[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)[O-]	ZINC000262315052	352415404	/nfs/dbraw/zinc/41/54/04/352415404.db2.gz	UGAAZIWALMYGBJ-LLVKDONJSA-N	-1	2	284.224	-0.134	20	5		CBBDLM
C[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)[O-]	ZINC000262315053	352415830	/nfs/dbraw/zinc/41/58/30/352415830.db2.gz	UGAAZIWALMYGBJ-NSHDSACASA-N	-1	2	284.224	-0.134	20	5		CBBDLM