smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)CC([NH2+]C2CCCCC2)CC(C)(C)N1	ZINC000000140582	383833936	/nfs/dbraw/zinc/83/39/36/383833936.db2.gz	CKSSXRUOCIWOFF-UHFFFAOYSA-N	1	3	238.419	3.218	50	0		BGAAHO
CC[C@@]1(C)C[C@@](CC[NH3+])(c2ccccc2)CCO1	ZINC000004029708	171207088	/nfs/dbraw/zinc/20/70/88/171207088.db2.gz	FHRPULWHPSYQMC-HOTGVXAUSA-N	1	3	247.382	3.252	50	0		BGAAHO
C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1	ZINC000004298695	342746268	/nfs/dbraw/zinc/74/62/68/342746268.db2.gz	ZESBOMNHBGYPKU-NYTXWWLZSA-N	1	3	246.398	3.066	50	0		BGAAHO
C[C@H](N[C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1	ZINC000004298695	342746267	/nfs/dbraw/zinc/74/62/67/342746267.db2.gz	ZESBOMNHBGYPKU-NYTXWWLZSA-N	1	3	246.398	3.066	50	0		BGAAHO
C[C@H](N[C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1	ZINC000004298696	342746278	/nfs/dbraw/zinc/74/62/78/342746278.db2.gz	ZESBOMNHBGYPKU-HOSILWTGSA-N	1	3	246.398	3.066	50	0		BGAAHO
C[C@H](N[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1	ZINC000004298696	342746277	/nfs/dbraw/zinc/74/62/77/342746277.db2.gz	ZESBOMNHBGYPKU-HOSILWTGSA-N	1	3	246.398	3.066	50	0		BGAAHO
C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1	ZINC000004298697	342746230	/nfs/dbraw/zinc/74/62/30/342746230.db2.gz	ZESBOMNHBGYPKU-HGTKMLMNSA-N	1	3	246.398	3.066	50	0		BGAAHO
C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1	ZINC000004298697	342746229	/nfs/dbraw/zinc/74/62/29/342746229.db2.gz	ZESBOMNHBGYPKU-HGTKMLMNSA-N	1	3	246.398	3.066	50	0		BGAAHO
C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1	ZINC000004298698	342746201	/nfs/dbraw/zinc/74/62/01/342746201.db2.gz	ZESBOMNHBGYPKU-ORIJERBGSA-N	1	3	246.398	3.066	50	0		BGAAHO
C[C@H](N[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1	ZINC000004298698	342746200	/nfs/dbraw/zinc/74/62/00/342746200.db2.gz	ZESBOMNHBGYPKU-ORIJERBGSA-N	1	3	246.398	3.066	50	0		BGAAHO
CC[N@@H+](CC[C@@H]1CCCCN1)C1CCCCC1	ZINC000034972510	383822665	/nfs/dbraw/zinc/82/26/65/383822665.db2.gz	ZJUXGNCDCHFUHD-AWEZNQCLSA-N	1	3	238.419	3.173	50	0		BGAAHO
CC[N@H+](CC[C@@H]1CCCCN1)C1CCCCC1	ZINC000034972510	383822661	/nfs/dbraw/zinc/82/26/61/383822661.db2.gz	ZJUXGNCDCHFUHD-AWEZNQCLSA-N	1	3	238.419	3.173	50	0		BGAAHO
CC[N@@H+](CC[C@H]1CCCCN1)C1CCCCC1	ZINC000034972512	383820948	/nfs/dbraw/zinc/82/09/48/383820948.db2.gz	ZJUXGNCDCHFUHD-CQSZACIVSA-N	1	3	238.419	3.173	50	0		BGAAHO
CC[N@H+](CC[C@H]1CCCCN1)C1CCCCC1	ZINC000034972512	383820945	/nfs/dbraw/zinc/82/09/45/383820945.db2.gz	ZJUXGNCDCHFUHD-CQSZACIVSA-N	1	3	238.419	3.173	50	0		BGAAHO
CC[C@@H](c1ccccc1)N1CC[C@H](C[NH+](C)C)C1	ZINC000069658386	373571637	/nfs/dbraw/zinc/57/16/37/373571637.db2.gz	DDGIMTGAPGCBRK-ZBFHGGJFSA-N	1	3	246.398	3.021	50	0		BGAAHO
CC[C@H](c1ccccc1)N1CC[C@H](C[NH+](C)C)C1	ZINC000069658389	388423388	/nfs/dbraw/zinc/42/33/88/388423388.db2.gz	DDGIMTGAPGCBRK-GDBMZVCRSA-N	1	3	246.398	3.021	50	0		BGAAHO
C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1	ZINC000100836947	384656338	/nfs/dbraw/zinc/65/63/38/384656338.db2.gz	ZESBOMNHBGYPKU-KNCOVGOOSA-N	1	3	246.398	3.066	50	0		BGAAHO
C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1	ZINC000100836947	384656333	/nfs/dbraw/zinc/65/63/33/384656333.db2.gz	ZESBOMNHBGYPKU-KNCOVGOOSA-N	1	3	246.398	3.066	50	0		BGAAHO
C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1	ZINC000227454924	134380065	/nfs/dbraw/zinc/38/00/65/134380065.db2.gz	ZESBOMNHBGYPKU-RZLSGREXSA-N	1	3	246.398	3.066	50	0		BGAAHO
C[C@H](N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1	ZINC000227454924	134380064	/nfs/dbraw/zinc/38/00/64/134380064.db2.gz	ZESBOMNHBGYPKU-RZLSGREXSA-N	1	3	246.398	3.066	50	0		BGAAHO
CC[C@@H](c1ccccc1)N1CC[C@@H](C[NH+](C)C)C1	ZINC000229684843	350584469	/nfs/dbraw/zinc/58/44/69/350584469.db2.gz	DDGIMTGAPGCBRK-HOCLYGCPSA-N	1	3	246.398	3.021	50	0		BGAAHO
CC[C@H](c1ccccc1)N1CC[C@@H](C[NH+](C)C)C1	ZINC000229684853	385655995	/nfs/dbraw/zinc/65/59/95/385655995.db2.gz	DDGIMTGAPGCBRK-GOEBONIOSA-N	1	3	246.398	3.021	50	0		BGAAHO