smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H](NC(N)=O)C(=O)N1CCNCC1	ZINC000159409320	136214235	/nfs/dbraw/zinc/21/42/35/136214235.db2.gz	WKORIIKKZLHVTN-MRVPVSSYSA-N	0	1	228.296	-0.745	10	70		BBIEMN
COCCN(CCO)C[C@@H]1CNC(=O)O1	ZINC000160018334	323057718	/nfs/dbraw/zinc/05/77/18/323057718.db2.gz	LSBOKIHSSSCHGO-QMMMGPOBSA-N	0	1	218.253	-0.965	10	70		BBIEMN
COCCN(CCO)C[C@H]1CNC(=O)O1	ZINC000160018470	323057743	/nfs/dbraw/zinc/05/77/43/323057743.db2.gz	LSBOKIHSSSCHGO-MRVPVSSYSA-N	0	1	218.253	-0.965	10	70		BBIEMN
CCc1nc(CN2CCOC[C@@H]2C(N)=O)n[nH]1	ZINC000160228995	384666917	/nfs/dbraw/zinc/66/69/17/384666917.db2.gz	ZUOKQEJZQAJUDW-SSDOTTSWSA-N	0	1	239.279	-0.947	10	70		BBIEMN
CCc1nc(CN2CCOC[C@H]2C(N)=O)n[nH]1	ZINC000160229112	384667016	/nfs/dbraw/zinc/66/70/16/384667016.db2.gz	ZUOKQEJZQAJUDW-ZETCQYMHSA-N	0	1	239.279	-0.947	10	70		BBIEMN
CCC[C@@H](C(=O)NCC(=O)NCC)N(C)C	ZINC000161292183	323493014	/nfs/dbraw/zinc/49/30/14/323493014.db2.gz	KPBXKAWGESXPDQ-VIFPVBQESA-N	0	1	229.324	-0.031	10	70		BBIEMN
CCC[C@H](C(=O)NCC(=O)NCC)N(C)C	ZINC000161292316	387184151	/nfs/dbraw/zinc/18/41/51/387184151.db2.gz	KPBXKAWGESXPDQ-SECBINFHSA-N	0	1	229.324	-0.031	10	70		BBIEMN
CN1CCCN(C(=O)c2ccc(=O)[nH]n2)CC1	ZINC000217649226	523803785	/nfs/dbraw/zinc/80/37/85/523803785.db2.gz	HDBHAIYZOVLUFM-UHFFFAOYSA-N	0	1	236.275	-0.452	10	70		BBIEMN