smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(N)c(C(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O	ZINC000028960779	568813809	/nfs/dbraw/zinc/81/38/09/568813809.db2.gz	CJSJPTBDHZEACW-UHFFFAOYSA-N	1	1	410.478	-0.072	50	30		HBEAMO
Cn1c(N)c(C(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O	ZINC000028960779	568813807	/nfs/dbraw/zinc/81/38/07/568813807.db2.gz	CJSJPTBDHZEACW-UHFFFAOYSA-N	1	1	410.478	-0.072	50	30		HBEAMO
C#CC[N@@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1	ZINC000585117879	1071000067	/nfs/dbraw/zinc/00/00/67/1071000067.db2.gz	RFTVVQFTXLBNDD-UHFFFAOYSA-N	1	1	404.492	-0.412	50	30		HBEAMO
C#CC[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1	ZINC000585117879	1071000046	/nfs/dbraw/zinc/00/00/46/1071000046.db2.gz	RFTVVQFTXLBNDD-UHFFFAOYSA-N	1	1	404.492	-0.412	50	30		HBEAMO