smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CC(=NNC(=O)C[N+](C)(C)C)C[N@@H+]1Cc1ccccc1	ZINC000794456123	717189514	/nfs/dbraw/zinc/18/95/14/717189514.db2.gz	IDSIOFFRGUVFKT-CQSZACIVSA-O	2	1	303.430	1.459	20	50		DDGDMP
C[C@@H]1CC(=NNC(=O)C[N+](C)(C)C)C[N@H+]1Cc1ccccc1	ZINC000794456123	717189517	/nfs/dbraw/zinc/18/95/17/717189517.db2.gz	IDSIOFFRGUVFKT-CQSZACIVSA-O	2	1	303.430	1.459	20	50		DDGDMP
C[C@H]1C(=NNC(=O)C[N+](C)(C)C)CC[N@H+]1Cc1ccccc1	ZINC000811629766	717191140	/nfs/dbraw/zinc/19/11/40/717191140.db2.gz	FPGNISKDEQSIPP-AWEZNQCLSA-O	2	1	303.430	1.459	20	50		DDGDMP
C[C@H]1C(=NNC(=O)C[N+](C)(C)C)CC[N@@H+]1Cc1ccccc1	ZINC000811629766	717191142	/nfs/dbraw/zinc/19/11/42/717191142.db2.gz	FPGNISKDEQSIPP-AWEZNQCLSA-O	2	1	303.430	1.459	20	50		DDGDMP
C[C@@H]1CC(=NNC(=O)C[N+](C)(C)C)C[N@@H+](Cc2ccccc2)C1	ZINC000794454750	717189201	/nfs/dbraw/zinc/18/92/01/717189201.db2.gz	BDVUOGXHJKXRFM-OAHLLOKOSA-O	2	1	317.457	1.707	20	50		DDGDMP
C[C@@H]1CC(=NNC(=O)C[N+](C)(C)C)C[N@H+](Cc2ccccc2)C1	ZINC000794454750	717189202	/nfs/dbraw/zinc/18/92/02/717189202.db2.gz	BDVUOGXHJKXRFM-OAHLLOKOSA-O	2	1	317.457	1.707	20	50		DDGDMP
C[C@H]1C[N@H+](Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	ZINC000794455247	717189339	/nfs/dbraw/zinc/18/93/39/717189339.db2.gz	DELVMCLVKOTWAM-AWEZNQCLSA-O	2	1	303.430	1.317	20	50		DDGDMP
C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	ZINC000794455247	717189342	/nfs/dbraw/zinc/18/93/42/717189342.db2.gz	DELVMCLVKOTWAM-AWEZNQCLSA-O	2	1	303.430	1.317	20	50		DDGDMP
C[C@H]1CC(=NNC(=O)C[N+](C)(C)C)C[N@@H+](Cc2ccccc2)C1	ZINC000794454748	717189323	/nfs/dbraw/zinc/18/93/23/717189323.db2.gz	BDVUOGXHJKXRFM-HNNXBMFYSA-O	2	1	317.457	1.707	20	50		DDGDMP
C[C@H]1CC(=NNC(=O)C[N+](C)(C)C)C[N@H+](Cc2ccccc2)C1	ZINC000794454748	717189325	/nfs/dbraw/zinc/18/93/25/717189325.db2.gz	BDVUOGXHJKXRFM-HNNXBMFYSA-O	2	1	317.457	1.707	20	50		DDGDMP
C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	ZINC000794456193	717189186	/nfs/dbraw/zinc/18/91/86/717189186.db2.gz	JDPFJYIZQVPTAF-HNNXBMFYSA-O	2	1	317.457	1.707	20	50		DDGDMP
C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	ZINC000794456193	717189187	/nfs/dbraw/zinc/18/91/87/717189187.db2.gz	JDPFJYIZQVPTAF-HNNXBMFYSA-O	2	1	317.457	1.707	20	50		DDGDMP
C[C@@H]1C(=NNC(=O)C[N+](C)(C)C)CCC[N@H+]1Cc1ccccc1	ZINC000814694725	717191111	/nfs/dbraw/zinc/19/11/11/717191111.db2.gz	WLIRKPOXINARBV-OAHLLOKOSA-O	2	1	317.457	1.849	20	50		DDGDMP
C[C@@H]1C(=NNC(=O)C[N+](C)(C)C)CCC[N@@H+]1Cc1ccccc1	ZINC000814694725	717191112	/nfs/dbraw/zinc/19/11/12/717191112.db2.gz	WLIRKPOXINARBV-OAHLLOKOSA-O	2	1	317.457	1.849	20	50		DDGDMP
C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	ZINC000794456195	717189312	/nfs/dbraw/zinc/18/93/12/717189312.db2.gz	JDPFJYIZQVPTAF-OAHLLOKOSA-O	2	1	317.457	1.707	20	50		DDGDMP
C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	ZINC000794456195	717189315	/nfs/dbraw/zinc/18/93/15/717189315.db2.gz	JDPFJYIZQVPTAF-OAHLLOKOSA-O	2	1	317.457	1.707	20	50		DDGDMP
C[C@@H]1C(=NNC(=O)C[N+](C)(C)C)CC[N@H+]1Cc1ccccc1	ZINC000811629767	717190958	/nfs/dbraw/zinc/19/09/58/717190958.db2.gz	FPGNISKDEQSIPP-CQSZACIVSA-O	2	1	303.430	1.459	20	50		DDGDMP
C[C@@H]1C(=NNC(=O)C[N+](C)(C)C)CC[N@@H+]1Cc1ccccc1	ZINC000811629767	717190964	/nfs/dbraw/zinc/19/09/64/717190964.db2.gz	FPGNISKDEQSIPP-CQSZACIVSA-O	2	1	303.430	1.459	20	50		DDGDMP
C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	ZINC000794455257	717189439	/nfs/dbraw/zinc/18/94/39/717189439.db2.gz	DELVMCLVKOTWAM-CQSZACIVSA-O	2	1	303.430	1.317	20	50		DDGDMP
C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NNC(=O)C[N+](C)(C)C	ZINC000794455257	717189443	/nfs/dbraw/zinc/18/94/43/717189443.db2.gz	DELVMCLVKOTWAM-CQSZACIVSA-O	2	1	303.430	1.317	20	50		DDGDMP
CC1(C)CC(=NNC(=O)C[N+](C)(C)C)C[N@H+]1Cc1ccccc1	ZINC000794457002	717189988	/nfs/dbraw/zinc/18/99/88/717189988.db2.gz	OEPGWXHBRJGIBY-UHFFFAOYSA-O	2	1	317.457	1.849	20	50		DDGDMP
C[C@H]1C(=NNC(=O)C[N+](C)(C)C)CCC[N@H+]1Cc1ccccc1	ZINC000814694724	717191014	/nfs/dbraw/zinc/19/10/14/717191014.db2.gz	WLIRKPOXINARBV-HNNXBMFYSA-O	2	1	317.457	1.849	20	50		DDGDMP
C[C@H]1C(=NNC(=O)C[N+](C)(C)C)CCC[N@@H+]1Cc1ccccc1	ZINC000814694724	717191019	/nfs/dbraw/zinc/19/10/19/717191019.db2.gz	WLIRKPOXINARBV-HNNXBMFYSA-O	2	1	317.457	1.849	20	50		DDGDMP
C[C@H]1CC(=NNC(=O)C[N+](C)(C)C)C[N@@H+]1Cc1ccccc1	ZINC000794456121	717189191	/nfs/dbraw/zinc/18/91/91/717189191.db2.gz	IDSIOFFRGUVFKT-AWEZNQCLSA-O	2	1	303.430	1.459	20	50		DDGDMP
C[C@H]1CC(=NNC(=O)C[N+](C)(C)C)C[N@H+]1Cc1ccccc1	ZINC000794456121	717189192	/nfs/dbraw/zinc/18/91/92/717189192.db2.gz	IDSIOFFRGUVFKT-AWEZNQCLSA-O	2	1	303.430	1.459	20	50		DDGDMP