smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(NS(=O)(=O)Cc2cccc(Cl)c2)CC1	ZINC000216948094	418560462	/nfs/dbraw/zinc/56/04/62/418560462.db2.gz	DELAUHFPKGAXDS-UHFFFAOYSA-N	0	1	302.827	1.854	40	70		DDIBMN
C[N@@H+]1CCc2nc(COc3ccccc3Cl)[n-]c(=O)c2C1	ZINC000216845330	484142921	/nfs/dbraw/zinc/14/29/21/484142921.db2.gz	UNHQURWYAQJYQC-UHFFFAOYSA-N	0	1	305.765	1.990	40	70		DDIBMN
C[N@H+]1CCc2nc(COc3ccccc3Cl)[n-]c(=O)c2C1	ZINC000216845330	484142924	/nfs/dbraw/zinc/14/29/24/484142924.db2.gz	UNHQURWYAQJYQC-UHFFFAOYSA-N	0	1	305.765	1.990	40	70		DDIBMN
CN1CCC(NS(=O)(=O)Cc2c(F)cccc2Cl)CC1	ZINC000216948590	418560326	/nfs/dbraw/zinc/56/03/26/418560326.db2.gz	XXJNNMNOLNBEIL-UHFFFAOYSA-N	0	1	320.817	1.993	40	70		DDIBMN
COc1ccccc1OCc1nc2c(c(=O)[n-]1)C[N@H+](C)CC2	ZINC000216845371	484142822	/nfs/dbraw/zinc/14/28/22/484142822.db2.gz	ABVXKGFYEVQABY-UHFFFAOYSA-N	0	1	301.346	1.345	40	70		DDIBMN
COc1ccccc1OCc1nc2c(c(=O)[n-]1)C[N@@H+](C)CC2	ZINC000216845371	484142824	/nfs/dbraw/zinc/14/28/24/484142824.db2.gz	ABVXKGFYEVQABY-UHFFFAOYSA-N	0	1	301.346	1.345	40	70		DDIBMN
CCOc1ccc(S(=O)(=O)NC2CCN(C)CC2)cc1C	ZINC000216795949	490696968	/nfs/dbraw/zinc/69/69/68/490696968.db2.gz	ORTGKCZVXGLSRU-UHFFFAOYSA-N	0	1	312.435	1.766	40	70		DDIBMN
COc1cccc(OCc2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)c1	ZINC000216845410	484141779	/nfs/dbraw/zinc/14/17/79/484141779.db2.gz	URHRHZJZNNTBDO-UHFFFAOYSA-N	0	1	301.346	1.345	40	70		DDIBMN
COc1cccc(OCc2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)c1	ZINC000216845410	484141787	/nfs/dbraw/zinc/14/17/87/484141787.db2.gz	URHRHZJZNNTBDO-UHFFFAOYSA-N	0	1	301.346	1.345	40	70		DDIBMN
COc1ccc(-c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)cc1OC	ZINC000216845617	484141327	/nfs/dbraw/zinc/14/13/27/484141327.db2.gz	FMXJHKCIACSGKV-UHFFFAOYSA-N	0	1	301.346	1.442	40	70		DDIBMN
COc1ccc(-c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)cc1OC	ZINC000216845617	484141338	/nfs/dbraw/zinc/14/13/38/484141338.db2.gz	FMXJHKCIACSGKV-UHFFFAOYSA-N	0	1	301.346	1.442	40	70		DDIBMN