smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000100054431	381710913	/nfs/dbraw/zinc/71/09/13/381710913.db2.gz	ZGYPEQGKDCSRDU-UWVGGRQHSA-N	-2	3	332.272	-0.025	50	5		EBBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100510430	376042948	/nfs/dbraw/zinc/04/29/48/376042948.db2.gz	UZVJOFBDWHHNLZ-UWVGGRQHSA-N	-2	3	332.272	-0.025	50	5		EBBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000018006944	379191143	/nfs/dbraw/zinc/19/11/43/379191143.db2.gz	ZGYPEQGKDCSRDU-ZJUUUORDSA-N	-2	3	332.272	-0.025	50	5		EBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000009304228	211064078	/nfs/dbraw/zinc/06/40/78/211064078.db2.gz	SOOULXXOYSGMCC-VHSXEESVSA-N	-2	3	348.271	-0.406	50	5		EBBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100510434	219101210	/nfs/dbraw/zinc/10/12/10/219101210.db2.gz	UZVJOFBDWHHNLZ-NXEZZACHSA-N	-2	3	332.272	-0.025	50	5		EBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100568129	219101828	/nfs/dbraw/zinc/10/18/28/219101828.db2.gz	AVLIIDGTGZSEEU-UWVGGRQHSA-N	-2	3	332.272	-0.107	50	5		EBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000004104531	210120482	/nfs/dbraw/zinc/12/04/82/210120482.db2.gz	AVLIIDGTGZSEEU-VHSXEESVSA-N	-2	3	332.272	-0.107	50	5		EBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000100166100	219093423	/nfs/dbraw/zinc/09/34/23/219093423.db2.gz	SOOULXXOYSGMCC-NXEZZACHSA-N	-2	3	348.271	-0.406	50	5		EBBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000004380167	210183608	/nfs/dbraw/zinc/18/36/08/210183608.db2.gz	QGIWAOBNUUUYCC-ZJUUUORDSA-N	-2	3	332.272	-0.025	50	5		EBBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000100054430	219090096	/nfs/dbraw/zinc/09/00/96/219090096.db2.gz	ZGYPEQGKDCSRDU-VHSXEESVSA-N	-2	3	332.272	-0.025	50	5		EBBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000004380166	210182871	/nfs/dbraw/zinc/18/28/71/210182871.db2.gz	QGIWAOBNUUUYCC-UWVGGRQHSA-N	-2	3	332.272	-0.025	50	5		EBBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3cccc([N+](=O)[O-])c3)c(=O)c1-2	ZINC000100054433	219090237	/nfs/dbraw/zinc/09/02/37/219090237.db2.gz	ZGYPEQGKDCSRDU-NXEZZACHSA-N	-2	3	332.272	-0.025	50	5		EBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100568131	219101784	/nfs/dbraw/zinc/10/17/84/219101784.db2.gz	AVLIIDGTGZSEEU-NXEZZACHSA-N	-2	3	332.272	-0.107	50	5		EBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000009357349	211074520	/nfs/dbraw/zinc/07/45/20/211074520.db2.gz	SOOULXXOYSGMCC-ZJUUUORDSA-N	-2	3	348.271	-0.406	50	5		EBBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100048934	219089114	/nfs/dbraw/zinc/08/91/14/219089114.db2.gz	QGIWAOBNUUUYCC-VHSXEESVSA-N	-2	3	332.272	-0.025	50	5		EBBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000004610899	210232011	/nfs/dbraw/zinc/23/20/11/210232011.db2.gz	UZVJOFBDWHHNLZ-ZJUUUORDSA-N	-2	3	332.272	-0.025	50	5		EBBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000100510427	219101550	/nfs/dbraw/zinc/10/15/50/219101550.db2.gz	UZVJOFBDWHHNLZ-VHSXEESVSA-N	-2	3	332.272	-0.025	50	5		EBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3cc([N+](=O)[O-])ccc3C)c(=O)c1-2	ZINC000100568128	219101778	/nfs/dbraw/zinc/10/17/78/219101778.db2.gz	AVLIIDGTGZSEEU-ZJUUUORDSA-N	-2	3	332.272	-0.107	50	5		EBBAHL
O=c1[n-]c(=O)c(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c[nH]1	ZINC000010220798	211154170	/nfs/dbraw/zinc/15/41/70/211154170.db2.gz	RMTUHSUWFYOMIK-UHFFFAOYSA-N	-2	3	330.253	-0.089	50	5		EBBAHL
COC(=O)c1[n-][n-]c2c(O)n(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c1-2	ZINC000100166097	219092988	/nfs/dbraw/zinc/09/29/88/219092988.db2.gz	SOOULXXOYSGMCC-UWVGGRQHSA-N	-2	3	348.271	-0.406	50	5		EBBAHL
CCOC(=O)c1[n-][n-]c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100048938	219089197	/nfs/dbraw/zinc/08/91/97/219089197.db2.gz	QGIWAOBNUUUYCC-NXEZZACHSA-N	-2	3	332.272	-0.025	50	5		EBBAHL