smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000609491460	469934022	/nfs/dbraw/zinc/93/40/22/469934022.db2.gz	ZDEHPIZLMNEPPX-LJQANCHMSA-N	2	1	340.471	2.077	50	30		EEEAMP
C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000609491460	469934025	/nfs/dbraw/zinc/93/40/25/469934025.db2.gz	ZDEHPIZLMNEPPX-LJQANCHMSA-N	2	1	340.471	2.077	50	30		EEEAMP
C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000609491460	469934026	/nfs/dbraw/zinc/93/40/26/469934026.db2.gz	ZDEHPIZLMNEPPX-LJQANCHMSA-N	2	1	340.471	2.077	50	30		EEEAMP
C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000609491460	469934029	/nfs/dbraw/zinc/93/40/29/469934029.db2.gz	ZDEHPIZLMNEPPX-LJQANCHMSA-N	2	1	340.471	2.077	50	30		EEEAMP
COCC[N@H+]1CC[C@H](C[NH+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000952975454	796118954	/nfs/dbraw/zinc/11/89/54/796118954.db2.gz	IUUBXQJFDHHPAN-HXUWFJFHSA-N	2	1	344.499	2.209	50	30		EEEAMP
COCC[NH+]1CC[C@H](C[N@H+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000952975454	796118961	/nfs/dbraw/zinc/11/89/61/796118961.db2.gz	IUUBXQJFDHHPAN-HXUWFJFHSA-N	2	1	344.499	2.209	50	30		EEEAMP
COCC[NH+]1CC[C@H](C[N@@H+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000952975454	796118965	/nfs/dbraw/zinc/11/89/65/796118965.db2.gz	IUUBXQJFDHHPAN-HXUWFJFHSA-N	2	1	344.499	2.209	50	30		EEEAMP
C=C(C)C[NH2+]Cc1ccc(OC[C@@H](O)C[N@@H+](C)C(C)C)c(OC)c1	ZINC000012027321	462842122	/nfs/dbraw/zinc/84/21/22/462842122.db2.gz	FIYCLXHVSINEJX-KRWDZBQOSA-N	2	1	336.476	2.441	50	30		EEEAMP
C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2cccc(C#N)n2)C1	ZINC000095528526	463105005	/nfs/dbraw/zinc/10/50/05/463105005.db2.gz	XUSIKXOKCYQJKQ-MRXNPFEDSA-N	2	1	338.459	2.485	50	30		EEEAMP
C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000602048697	469162024	/nfs/dbraw/zinc/16/20/24/469162024.db2.gz	ZDEHPIZLMNEPPX-IBGZPJMESA-N	2	1	340.471	2.077	50	30		EEEAMP
C[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000602048697	469162028	/nfs/dbraw/zinc/16/20/28/469162028.db2.gz	ZDEHPIZLMNEPPX-IBGZPJMESA-N	2	1	340.471	2.077	50	30		EEEAMP
C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000602048697	469162034	/nfs/dbraw/zinc/16/20/34/469162034.db2.gz	ZDEHPIZLMNEPPX-IBGZPJMESA-N	2	1	340.471	2.077	50	30		EEEAMP
C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1	ZINC000602048697	469162038	/nfs/dbraw/zinc/16/20/38/469162038.db2.gz	ZDEHPIZLMNEPPX-IBGZPJMESA-N	2	1	340.471	2.077	50	30		EEEAMP
C=CCc1cc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)ccc1O	ZINC000067770966	215208014	/nfs/dbraw/zinc/20/80/14/215208014.db2.gz	FDLBDPIXAXELJF-UHFFFAOYSA-N	2	1	329.488	2.333	50	30		EEEAMP
CCC#CC[NH+]1CCC(c2nnc(Cn3cc[nH+]c3C)n2CC)CC1	ZINC000091830064	218073272	/nfs/dbraw/zinc/07/32/72/218073272.db2.gz	WAOUPTPVERPYIM-UHFFFAOYSA-N	2	1	340.475	2.444	50	30		EEEAMP
C=C(C)C[NH2+]Cc1ccc(OC[C@H](O)C[N@@H+](C)C(C)C)c(OC)c1	ZINC000012027323	462841814	/nfs/dbraw/zinc/84/18/14/462841814.db2.gz	FIYCLXHVSINEJX-QGZVFWFLSA-N	2	1	336.476	2.441	50	30		EEEAMP
C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2cccc(C#N)n2)CC1	ZINC000095389392	218321573	/nfs/dbraw/zinc/32/15/73/218321573.db2.gz	HHSFYTYEJTZNEO-UHFFFAOYSA-N	2	1	338.459	2.485	50	30		EEEAMP
C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2cccc(C#N)n2)C1	ZINC000095528527	463105858	/nfs/dbraw/zinc/10/58/58/463105858.db2.gz	XUSIKXOKCYQJKQ-INIZCTEOSA-N	2	1	338.459	2.485	50	30		EEEAMP
C[NH+]=C(NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)NC1CC1	ZINC000103337854	463400267	/nfs/dbraw/zinc/40/02/67/463400267.db2.gz	QJOCHVKOUVMVJC-GASCZTMLSA-N	2	1	330.476	2.123	50	30		EEEAMP
N#Cc1c(N)n[nH]c1CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000023654292	212389113	/nfs/dbraw/zinc/38/91/13/212389113.db2.gz	ZCMGFSISJMHWFL-UHFFFAOYSA-N	2	1	338.459	2.050	50	30		EEEAMP
C=CCOc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)CCN3C)cc1	ZINC000067695605	1249918462	/nfs/dbraw/zinc/91/84/62/1249918462.db2.gz	QTUDJRSNDFKNER-UHFFFAOYSA-N	2	1	329.488	2.463	50	30		EEEAMP
N#Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)cc1	ZINC000092099267	218119738	/nfs/dbraw/zinc/11/97/38/218119738.db2.gz	XAOCXJHNIMVCOP-WOJBJXKFSA-N	2	1	327.472	2.475	50	30		EEEAMP
N#Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)cc1	ZINC000092099267	218119740	/nfs/dbraw/zinc/11/97/40/218119740.db2.gz	XAOCXJHNIMVCOP-WOJBJXKFSA-N	2	1	327.472	2.475	50	30		EEEAMP
C=CC[NH+]1CCN(CCn2cc(C[N@H+]3CCC[C@H](C)C3)c(C)n2)CC1	ZINC000065397977	462764050	/nfs/dbraw/zinc/76/40/50/462764050.db2.gz	MGOMUFJRZKUFIH-SFHVURJKSA-N	2	1	345.535	2.227	50	30		EEEAMP
C=CC[NH+]1CCN(CCn2cc(C[N@@H+]3CCC[C@H](C)C3)c(C)n2)CC1	ZINC000065397977	462764055	/nfs/dbraw/zinc/76/40/55/462764055.db2.gz	MGOMUFJRZKUFIH-SFHVURJKSA-N	2	1	345.535	2.227	50	30		EEEAMP
COCC[N@H+]1CC[C@@H](C[NH+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000952975450	796119216	/nfs/dbraw/zinc/11/92/16/796119216.db2.gz	IUUBXQJFDHHPAN-FQEVSTJZSA-N	2	1	344.499	2.209	50	30		EEEAMP
COCC[NH+]1CC[C@@H](C[N@H+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000952975450	796119218	/nfs/dbraw/zinc/11/92/18/796119218.db2.gz	IUUBXQJFDHHPAN-FQEVSTJZSA-N	2	1	344.499	2.209	50	30		EEEAMP
COCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000952975450	796119224	/nfs/dbraw/zinc/11/92/24/796119224.db2.gz	IUUBXQJFDHHPAN-FQEVSTJZSA-N	2	1	344.499	2.209	50	30		EEEAMP
C=CC[NH2+]Cc1cccc(C[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1	ZINC000072407993	258015367	/nfs/dbraw/zinc/01/53/67/258015367.db2.gz	FRZDGTVPZAAEDV-VQTJNVASSA-N	2	1	330.472	2.385	50	30		EEEAMP
C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)C1)N[C@H]1CCCN(c2ccccc2)C1	ZINC000108485483	1204928250	/nfs/dbraw/zinc/92/82/50/1204928250.db2.gz	MZFYEAOBIAXZSS-ROUUACIJSA-N	2	1	343.519	2.162	50	30		EEEAMP
C=CC[NH+]1CCN(CCn2cc(C[N@H+]3CCC[C@@H](C)C3)c(C)n2)CC1	ZINC000065397978	462763843	/nfs/dbraw/zinc/76/38/43/462763843.db2.gz	MGOMUFJRZKUFIH-GOSISDBHSA-N	2	1	345.535	2.227	50	30		EEEAMP
C=CC[NH+]1CCN(CCn2cc(C[N@@H+]3CCC[C@@H](C)C3)c(C)n2)CC1	ZINC000065397978	462763846	/nfs/dbraw/zinc/76/38/46/462763846.db2.gz	MGOMUFJRZKUFIH-GOSISDBHSA-N	2	1	345.535	2.227	50	30		EEEAMP
C=C(C)C[NH2+]Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c1	ZINC000012588783	788594152	/nfs/dbraw/zinc/59/41/52/788594152.db2.gz	AECFSLHPFPCZIA-KRWDZBQOSA-N	2	1	336.476	2.441	50	30		EEEAMP
N#Cc1cccnc1N1CC[NH+](C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1	ZINC000055053685	283218034	/nfs/dbraw/zinc/21/80/34/283218034.db2.gz	DIAJCVSSLNTPCJ-RBUKOAKNSA-N	2	1	339.487	2.340	50	30		EEEAMP
N#Cc1cccnc1N1CC[NH+](C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1	ZINC000055053685	283218038	/nfs/dbraw/zinc/21/80/38/283218038.db2.gz	DIAJCVSSLNTPCJ-RBUKOAKNSA-N	2	1	339.487	2.340	50	30		EEEAMP
C=C(C)C[NH2+]Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c1	ZINC000012588791	788612434	/nfs/dbraw/zinc/61/24/34/788612434.db2.gz	AECFSLHPFPCZIA-QGZVFWFLSA-N	2	1	336.476	2.441	50	30		EEEAMP