smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)Cc1c2ccccc2c(C[NH+](CC)CC)c2ccccc21	ZINC000001510105	564074885	/nfs/dbraw/zinc/07/48/85/564074885.db2.gz	VJCYSZJVCXSLGX-UHFFFAOYSA-N	2	0	348.534	5.677	50	5		EKBARP
CC[N+](C)(C)CCCCC[N+](CC)(CC)Cc1cc2ccccc2o1	ZINC000001829159	564088716	/nfs/dbraw/zinc/08/87/16/564088716.db2.gz	GHSWKUBUGIUNQL-UHFFFAOYSA-N	2	0	346.559	5.056	50	5		EKBARP
CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c2cc3ccccc3cc12	ZINC000002255562	209835784	/nfs/dbraw/zinc/83/57/84/209835784.db2.gz	OUAJLVIMXOMBTL-KRWDZBQOSA-N	2	0	335.495	5.310	50	5		EKBARP
CC[N+](CC)(CC)CCCCCCCCCC[N+](CC)(CC)CC	ZINC000004952507	210337496	/nfs/dbraw/zinc/33/74/96/210337496.db2.gz	HGTDXQXNIBKOAT-UHFFFAOYSA-N	2	0	342.656	5.860	50	5		EKBARP
CCCC[N+]1(CCCC[N+]2(CCCC)CCCCC2)CCCCC1	ZINC000118538134	563999528	/nfs/dbraw/zinc/99/95/28/563999528.db2.gz	GEEMVDNKZFTHSY-UHFFFAOYSA-N	2	0	338.624	5.368	50	5		EKBARP
CC[N+](C)(C)CCCCCC[N@+](C)(CC)Cc1cc2ccccc2o1	ZINC000245245187	243100407	/nfs/dbraw/zinc/10/04/07/243100407.db2.gz	BJODVBXJTHMVKO-DEOSSOPVSA-N	2	0	346.559	5.056	50	5		EKBARP
CC[N+](C)(C)CCCCCC[N@@+](C)(CC)Cc1cc2ccccc2o1	ZINC000245245188	243099454	/nfs/dbraw/zinc/09/94/54/243099454.db2.gz	BJODVBXJTHMVKO-XMMPIXPASA-N	2	0	346.559	5.056	50	5		EKBARP
CCC(CC)C[N+](C)(C)CCCCC[N+](C)(C)CC(CC)CC	ZINC000606422358	563974756	/nfs/dbraw/zinc/97/47/56/563974756.db2.gz	VULNVYLCXILVPJ-UHFFFAOYSA-N	2	0	328.629	5.182	50	5		EKBARP
CCC(CC)C[N+](C)(C)CCCCCC[N+](C)(C)CC(CC)CC	ZINC000606422367	563974768	/nfs/dbraw/zinc/97/47/68/563974768.db2.gz	WTAREEUFEKRCJP-UHFFFAOYSA-N	2	0	342.656	5.572	50	5		EKBARP