smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC1=CC[N@@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826380586	609482643	/nfs/dbraw/zinc/48/26/43/609482643.db2.gz	GJTUNZCEYOAJJZ-UHFFFAOYSA-N	1	1	310.361	1.791	20	50		DDGDMO
CCC[N@H+]1CCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000825327935	607717002	/nfs/dbraw/zinc/71/70/02/607717002.db2.gz	MTVVALLTZBBUIO-ZDUSSCGKSA-N	1	1	315.381	1.184	20	50		DDGDMO
C[N@H+]1CCCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826029817	607964710	/nfs/dbraw/zinc/96/47/10/607964710.db2.gz	XNHSJMILRBUBAK-UHFFFAOYSA-N	1	1	313.365	1.068	20	50		DDGDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000824908543	607351550	/nfs/dbraw/zinc/35/15/50/607351550.db2.gz	PGQIZAMLSFUBIE-PHIMTYICSA-N	1	1	315.381	1.183	20	50		DDGDMO
CCC[N@H+]1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000825328920	607342891	/nfs/dbraw/zinc/34/28/91/607342891.db2.gz	YNLNLPGCBJETBV-CYBMUJFWSA-N	1	1	315.381	1.184	20	50		DDGDMO
N#CC1=CC[N@@H+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826381133	609482779	/nfs/dbraw/zinc/48/27/79/609482779.db2.gz	YWFBENPLZMHBPG-UHFFFAOYSA-N	1	1	310.361	1.791	20	50		DDGDMO
N#CC1=CC[N@@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826381066	609480477	/nfs/dbraw/zinc/48/04/77/609480477.db2.gz	WNOFJUJRDHVERU-UHFFFAOYSA-N	1	1	323.360	1.351	20	50		DDGDMO
CCC[N@H+]1CCC[C@H]1C(=O)NN=c1c(F)c(F)[n-]c(F)c1F	ZINC000105593131	696623654	/nfs/dbraw/zinc/62/36/54/696623654.db2.gz	RENCDHWRINEPKG-ZETCQYMHSA-N	1	1	320.290	1.956	20	50		DDGDMO
CC[N@H+]1CCCC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000825459959	607716932	/nfs/dbraw/zinc/71/69/32/607716932.db2.gz	OYSWDIHQGXKTER-CYBMUJFWSA-N	1	1	315.381	1.184	20	50		DDGDMO
CC[N@H+]1CCCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000825459465	607342963	/nfs/dbraw/zinc/34/29/63/607342963.db2.gz	KVFDOPBFMFLGDA-ZDUSSCGKSA-N	1	1	315.381	1.184	20	50		DDGDMO
CCC[N@H+]1CCC[C@@H]1C(=O)NN=c1c(F)c(F)[n-]c(F)c1F	ZINC000105593128	696623626	/nfs/dbraw/zinc/62/36/26/696623626.db2.gz	RENCDHWRINEPKG-SSDOTTSWSA-N	1	1	320.290	1.956	20	50		DDGDMO
C[N@H+]1CCCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826028767	607964885	/nfs/dbraw/zinc/96/48/85/607964885.db2.gz	HNDMZRLNBNOYTM-UHFFFAOYSA-N	1	1	313.365	1.068	20	50		DDGDMO
CC1(C)CC(=NNC(=O)C[N+](C)(C)C)CN1Cc1ccccc1	ZINC000794457002	717189989	/nfs/dbraw/zinc/18/99/89/717189989.db2.gz	OEPGWXHBRJGIBY-UHFFFAOYSA-O	1	1	317.457	1.849	20	50		DDGDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000824909333	607729429	/nfs/dbraw/zinc/72/94/29/607729429.db2.gz	SXBDDRAQZDHFGM-PHIMTYICSA-N	1	1	315.381	1.183	20	50		DDGDMO
N#CC1=CC[N@@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000826380919	609482676	/nfs/dbraw/zinc/48/26/76/609482676.db2.gz	QLUDOCZRWALLRC-UHFFFAOYSA-N	1	1	323.360	1.351	20	50		DDGDMO
CCC[N@H+]1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000825328921	607343045	/nfs/dbraw/zinc/34/30/45/607343045.db2.gz	YNLNLPGCBJETBV-ZDUSSCGKSA-N	1	1	315.381	1.184	20	50		DDGDMO
CCC[N@H+]1CCC[C@@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000825327931	607717362	/nfs/dbraw/zinc/71/73/62/607717362.db2.gz	MTVVALLTZBBUIO-CYBMUJFWSA-N	1	1	315.381	1.184	20	50		DDGDMO
CC[N@H+]1CCCC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1	ZINC000825459960	607716961	/nfs/dbraw/zinc/71/69/61/607716961.db2.gz	OYSWDIHQGXKTER-ZDUSSCGKSA-N	1	1	315.381	1.184	20	50		DDGDMO
CC1CC[NH+](CC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1	ZINC000824954956	607727947	/nfs/dbraw/zinc/72/79/47/607727947.db2.gz	MUPMWRAAZHIUMK-UHFFFAOYSA-N	1	1	315.381	1.042	20	50		DDGDMO
CC[N@H+]1CCCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)cc1	ZINC000825459464	607342941	/nfs/dbraw/zinc/34/29/41/607342941.db2.gz	KVFDOPBFMFLGDA-CYBMUJFWSA-N	1	1	315.381	1.184	20	50		DDGDMO