smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216915213	528568680	/nfs/dbraw/zinc/56/86/80/528568680.db2.gz	FRVZJSFGLNFDBP-IRXDYDNUSA-N	1	1	288.435	3.232	40	70		CGIBMO
CCc1cccc(CC)c1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216908297	376168952	/nfs/dbraw/zinc/16/89/52/376168952.db2.gz	GJBOMMVLZMOGBS-OAHLLOKOSA-N	1	1	274.408	3.092	40	70		CGIBMO
CC(C)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216915142	528356328	/nfs/dbraw/zinc/35/63/28/528356328.db2.gz	FRVZJSFGLNFDBP-IAGOWNOFSA-N	1	1	288.435	3.232	40	70		CGIBMO
CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1C	ZINC000216919141	529655058	/nfs/dbraw/zinc/65/50/58/529655058.db2.gz	QNANCMKDVHBVLZ-NVXWUHKLSA-N	1	1	288.435	3.213	40	70		CGIBMO
CC(C)C[C@@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216915186	376170302	/nfs/dbraw/zinc/17/03/02/376170302.db2.gz	FRVZJSFGLNFDBP-DLBZAZTESA-N	1	1	288.435	3.232	40	70		CGIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2cccc3ccccc32)C1	ZINC000216782150	392992884	/nfs/dbraw/zinc/99/28/84/392992884.db2.gz	PEUSNOZAHFDKAA-CQSZACIVSA-N	1	1	268.360	3.120	40	70		CGIBMO
CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)c(C)c1	ZINC000216919033	376170169	/nfs/dbraw/zinc/17/01/69/376170169.db2.gz	SVPQUZJJMYONGU-IAGOWNOFSA-N	1	1	288.435	3.213	40	70		CGIBMO
CC[C@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1C	ZINC000216919212	376170255	/nfs/dbraw/zinc/17/02/55/376170255.db2.gz	QNANCMKDVHBVLZ-RDJZCZTQSA-N	1	1	288.435	3.213	40	70		CGIBMO
CCc1cccc(CC)c1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216908331	376168241	/nfs/dbraw/zinc/16/82/41/376168241.db2.gz	GJBOMMVLZMOGBS-HNNXBMFYSA-N	1	1	274.408	3.092	40	70		CGIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2ccc3ccccc3c2)C1	ZINC000216905663	376167999	/nfs/dbraw/zinc/16/79/99/376167999.db2.gz	FJEZKJIPJHBBOQ-OAHLLOKOSA-N	1	1	268.360	3.120	40	70		CGIBMO
CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)c(C)c1	ZINC000216919058	376170201	/nfs/dbraw/zinc/17/02/01/376170201.db2.gz	SVPQUZJJMYONGU-SJORKVTESA-N	1	1	288.435	3.213	40	70		CGIBMO
CC[C@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccc(C)c(C)c1	ZINC000216919104	376170241	/nfs/dbraw/zinc/17/02/41/376170241.db2.gz	SVPQUZJJMYONGU-IRXDYDNUSA-N	1	1	288.435	3.213	40	70		CGIBMO
CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccc(C)c(C)c1	ZINC000216919080	376170488	/nfs/dbraw/zinc/17/04/88/376170488.db2.gz	SVPQUZJJMYONGU-DLBZAZTESA-N	1	1	288.435	3.213	40	70		CGIBMO
C[N@H+]1CCC[C@H](C(=O)Nc2cccc3ccccc32)C1	ZINC000216782201	392992875	/nfs/dbraw/zinc/99/28/75/392992875.db2.gz	PEUSNOZAHFDKAA-AWEZNQCLSA-N	1	1	268.360	3.120	40	70		CGIBMO
CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1	ZINC000216915165	376170182	/nfs/dbraw/zinc/17/01/82/376170182.db2.gz	FRVZJSFGLNFDBP-SJORKVTESA-N	1	1	288.435	3.232	40	70		CGIBMO
CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1C	ZINC000216919191	376170563	/nfs/dbraw/zinc/17/05/63/376170563.db2.gz	QNANCMKDVHBVLZ-DOTOQJQBSA-N	1	1	288.435	3.213	40	70		CGIBMO
CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](C)C1)c1ccc(C)cc1C	ZINC000216919167	376170591	/nfs/dbraw/zinc/17/05/91/376170591.db2.gz	QNANCMKDVHBVLZ-WBVHZDCISA-N	1	1	288.435	3.213	40	70		CGIBMO
C[N@H+]1CCC[C@H](C(=O)Nc2ccc3ccccc3c2)C1	ZINC000216905703	376168273	/nfs/dbraw/zinc/16/82/73/376168273.db2.gz	FJEZKJIPJHBBOQ-HNNXBMFYSA-N	1	1	268.360	3.120	40	70		CGIBMO