smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCN(C)S(=O)(=O)c1cccs1	ZINC000159812834	530546790	/nfs/dbraw/zinc/54/67/90/530546790.db2.gz	AYRYKPPTGHBMAR-AWEZNQCLSA-N	1	1	388.559	1.494	10	70		GDIEMO
O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cc(I)c[nH]1	ZINC000160413148	530551702	/nfs/dbraw/zinc/55/17/02/530551702.db2.gz	OTWSKPKYYRCFKP-NSHDSACASA-N	1	1	375.210	1.212	10	70		GDIEMO
O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cc(I)c[nH]1	ZINC000160413148	530551704	/nfs/dbraw/zinc/55/17/04/530551704.db2.gz	OTWSKPKYYRCFKP-NSHDSACASA-N	1	1	375.210	1.212	10	70		GDIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)C1	ZINC000161408539	530559449	/nfs/dbraw/zinc/55/94/49/530559449.db2.gz	MSIQMBNDGBMRFG-OCCSQVGLSA-N	1	1	380.539	1.834	10	70		GDIEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1CCOC	ZINC000160367890	530551166	/nfs/dbraw/zinc/55/11/66/530551166.db2.gz	SIJIBUUKCOYPID-ZDUSSCGKSA-N	1	1	399.289	1.352	10	70		GDIEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@H+]1CCOC	ZINC000160367890	530551167	/nfs/dbraw/zinc/55/11/67/530551167.db2.gz	SIJIBUUKCOYPID-ZDUSSCGKSA-N	1	1	399.289	1.352	10	70		GDIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C1	ZINC000161236809	530557999	/nfs/dbraw/zinc/55/79/99/530557999.db2.gz	QEKWTJSHMSGROV-XEZPLFJOSA-N	1	1	387.933	1.852	10	70		GDIEMO
CC(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)s1	ZINC000160283705	530550318	/nfs/dbraw/zinc/55/03/18/530550318.db2.gz	JZSCYPPERIURPG-OAHLLOKOSA-N	1	1	387.571	1.825	10	70		GDIEMO
CC[N@H+]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000159735521	530545731	/nfs/dbraw/zinc/54/57/31/530545731.db2.gz	AVKUVSNRMUKDLL-LLVKDONJSA-N	1	1	394.950	1.463	10	70		GDIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000161414686	530560449	/nfs/dbraw/zinc/56/04/49/530560449.db2.gz	XELIVKFBXKTQLE-MNOVXSKESA-N	1	1	379.935	1.525	10	70		GDIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)[C@@H](C)C1	ZINC000161408669	530559277	/nfs/dbraw/zinc/55/92/77/530559277.db2.gz	MSIQMBNDGBMRFG-JSGCOSHPSA-N	1	1	380.539	1.834	10	70		GDIEMO
CC[N@H+]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000159735361	530546166	/nfs/dbraw/zinc/54/61/66/530546166.db2.gz	AVKUVSNRMUKDLL-NSHDSACASA-N	1	1	394.950	1.463	10	70		GDIEMO
CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1	ZINC000160275213	530550276	/nfs/dbraw/zinc/55/02/76/530550276.db2.gz	ABFBWULAVUBPTP-CYBMUJFWSA-N	1	1	392.518	1.628	10	70		GDIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1	ZINC000160275213	530550279	/nfs/dbraw/zinc/55/02/79/530550279.db2.gz	ABFBWULAVUBPTP-CYBMUJFWSA-N	1	1	392.518	1.628	10	70		GDIEMO
O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cc(I)c[nH]1	ZINC000160413028	530551652	/nfs/dbraw/zinc/55/16/52/530551652.db2.gz	OTWSKPKYYRCFKP-LLVKDONJSA-N	1	1	375.210	1.212	10	70		GDIEMO
O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cc(I)c[nH]1	ZINC000160413028	530551655	/nfs/dbraw/zinc/55/16/55/530551655.db2.gz	OTWSKPKYYRCFKP-LLVKDONJSA-N	1	1	375.210	1.212	10	70		GDIEMO
CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1	ZINC000160310757	530551060	/nfs/dbraw/zinc/55/10/60/530551060.db2.gz	ZPOTWNQJGRCDRP-OAHLLOKOSA-N	1	1	388.555	1.879	10	70		GDIEMO
CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1	ZINC000160310757	530551062	/nfs/dbraw/zinc/55/10/62/530551062.db2.gz	ZPOTWNQJGRCDRP-OAHLLOKOSA-N	1	1	388.555	1.879	10	70		GDIEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1CCOC	ZINC000160367750	530550947	/nfs/dbraw/zinc/55/09/47/530550947.db2.gz	SIJIBUUKCOYPID-CYBMUJFWSA-N	1	1	399.289	1.352	10	70		GDIEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@H+]1CCOC	ZINC000160367750	530550948	/nfs/dbraw/zinc/55/09/48/530550948.db2.gz	SIJIBUUKCOYPID-CYBMUJFWSA-N	1	1	399.289	1.352	10	70		GDIEMO
CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000160268914	530550183	/nfs/dbraw/zinc/55/01/83/530550183.db2.gz	XWTIKGKMIHHALA-MRXNPFEDSA-N	1	1	388.555	1.630	10	70		GDIEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCN(C)S(=O)(=O)c1cccs1	ZINC000159812696	530546506	/nfs/dbraw/zinc/54/65/06/530546506.db2.gz	AYRYKPPTGHBMAR-CQSZACIVSA-N	1	1	388.559	1.494	10	70		GDIEMO
CC(C)[N@@H+]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)[C@@H](C)C1	ZINC000161414812	530560498	/nfs/dbraw/zinc/56/04/98/530560498.db2.gz	XELIVKFBXKTQLE-QWRGUYRKSA-N	1	1	379.935	1.525	10	70		GDIEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000161236691	530558048	/nfs/dbraw/zinc/55/80/48/530558048.db2.gz	QEKWTJSHMSGROV-WWGRRREGSA-N	1	1	387.933	1.852	10	70		GDIEMO