smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1	ZINC000435556837	860876200	/nfs/dbraw/zinc/87/62/00/860876200.db2.gz	GBFKMRYCMCJIAF-UHFFFAOYSA-N	2	2	413.525	4.232	20	10		HICDLP
CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-n3cc[nH+]c3)c2)C1	ZINC000435556837	860876205	/nfs/dbraw/zinc/87/62/05/860876205.db2.gz	GBFKMRYCMCJIAF-UHFFFAOYSA-N	2	2	413.525	4.232	20	10		HICDLP
CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1	ZINC000435642760	860931253	/nfs/dbraw/zinc/93/12/53/860931253.db2.gz	XTIVMVSXQZYFOC-UHFFFAOYSA-N	2	2	413.525	4.232	20	10		HICDLP
CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)C1	ZINC000435642760	860931267	/nfs/dbraw/zinc/93/12/67/860931267.db2.gz	XTIVMVSXQZYFOC-UHFFFAOYSA-N	2	2	413.525	4.232	20	10		HICDLP
CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CSC(F)F)o3)cc2F)CC1	ZINC000237004299	853950542	/nfs/dbraw/zinc/95/05/42/853950542.db2.gz	UNDIXTDBYVICJM-UHFFFAOYSA-N	2	2	413.509	4.306	20	10		HICDLP
Oc1cc2c(cc1C[NH2+]Cc1ccccc1-c1ccc(Cn3cc[nH+]c3)cc1)OCO2	ZINC000238132406	854146099	/nfs/dbraw/zinc/14/60/99/854146099.db2.gz	JGCLMWAQTLOIBK-UHFFFAOYSA-N	2	2	413.477	4.323	20	10		HICDLP
FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1	ZINC000048745169	849261933	/nfs/dbraw/zinc/26/19/33/849261933.db2.gz	WKTPSRGVZBKUTF-UHFFFAOYSA-N	2	2	416.447	4.018	20	10		HICDLP
CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2-n2cc[nH+]c2)C1	ZINC000443953425	868489494	/nfs/dbraw/zinc/48/94/94/868489494.db2.gz	UENLUJOCFBIHQA-UHFFFAOYSA-N	2	2	413.525	4.232	20	10		HICDLP
CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2-n2cc[nH+]c2)C1	ZINC000443953425	868489503	/nfs/dbraw/zinc/48/95/03/868489503.db2.gz	UENLUJOCFBIHQA-UHFFFAOYSA-N	2	2	413.525	4.232	20	10		HICDLP
Cc1cn2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)ccc2[nH+]1	ZINC000435735514	861016631	/nfs/dbraw/zinc/01/66/31/861016631.db2.gz	NNGPSUIQMPBKIX-UHFFFAOYSA-N	2	2	401.514	4.003	20	10		HICDLP
Cc1cn2cc(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)ccc2[nH+]1	ZINC000435735514	861016648	/nfs/dbraw/zinc/01/66/48/861016648.db2.gz	NNGPSUIQMPBKIX-UHFFFAOYSA-N	2	2	401.514	4.003	20	10		HICDLP