smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@@H](N)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000159557928	351964713	/nfs/dbraw/zinc/96/47/13/351964713.db2.gz	UNPAPLGKYUBCJM-MNOVXSKESA-N	1	1	269.345	-0.427	10	70		CBIEMO
O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)N1CCNC(=O)C1	ZINC000160579660	526811390	/nfs/dbraw/zinc/81/13/90/526811390.db2.gz	SMEAAMMITIWHRW-SWLSCSKDSA-N	1	1	295.383	-0.428	10	70		CBIEMO
COC(=O)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000161109385	523193387	/nfs/dbraw/zinc/19/33/87/523193387.db2.gz	FXZIRNFVNLIFCT-RISCZKNCSA-N	1	1	284.356	-0.097	10	70		CBIEMO
CC[NH+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1	ZINC000161060624	521665141	/nfs/dbraw/zinc/66/51/41/521665141.db2.gz	YKURQBOKKONVEL-LLVKDONJSA-N	1	1	278.360	-0.060	10	70		CBIEMO
CCOC(=O)[C@H](N)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000159557789	351965025	/nfs/dbraw/zinc/96/50/25/351965025.db2.gz	UNPAPLGKYUBCJM-GHMZBOCLSA-N	1	1	269.345	-0.427	10	70		CBIEMO
COC(=O)CNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000161109260	523194148	/nfs/dbraw/zinc/19/41/48/523194148.db2.gz	FXZIRNFVNLIFCT-BXUZGUMPSA-N	1	1	284.356	-0.097	10	70		CBIEMO
O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)N1CCNC(=O)C1	ZINC000160579555	526806157	/nfs/dbraw/zinc/80/61/57/526806157.db2.gz	SMEAAMMITIWHRW-WFASDCNBSA-N	1	1	295.383	-0.428	10	70		CBIEMO
CC[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1	ZINC000161060737	521665260	/nfs/dbraw/zinc/66/52/60/521665260.db2.gz	YKURQBOKKONVEL-NSHDSACASA-N	1	1	278.360	-0.060	10	70		CBIEMO