smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[C@@H](C)[NH2+]CCCC[C@H](N)C(=O)[C@@H](OC=O)C2c3ccccc3-c3ccccc32)c1	ZINC001246336208	1067169390	/nfs/dbraw/zinc/16/93/90/1067169390.db2.gz	UCLMRJAKROLOTO-DDQPALIESA-N	1	3	500.639	4.637	20	0		KJADHO
COc1cccc(C[C@@H](C)[NH2+]CCCC[C@H](N)C(=O)[C@H](OC=O)C2c3ccccc3-c3ccccc32)c1	ZINC001246336210	1067169120	/nfs/dbraw/zinc/16/91/20/1067169120.db2.gz	UCLMRJAKROLOTO-GOPYVNMYSA-N	1	3	500.639	4.637	20	0		KJADHO
COc1cccc(C[C@H](C)[NH2+]CCCC[C@H](N)C(=O)[C@H](OC=O)C2c3ccccc3-c3ccccc32)c1	ZINC001246336212	1067169431	/nfs/dbraw/zinc/16/94/31/1067169431.db2.gz	UCLMRJAKROLOTO-NIFJZCPNSA-N	1	3	500.639	4.637	20	0		KJADHO
COc1cccc(C[C@H](C)[NH2+]CCCC[C@H](N)C(=O)[C@@H](OC=O)C2c3ccccc3-c3ccccc32)c1	ZINC001246336213	1067169307	/nfs/dbraw/zinc/16/93/07/1067169307.db2.gz	UCLMRJAKROLOTO-VBHBFSRDSA-N	1	3	500.639	4.637	20	0		KJADHO
COc1ccccc1C[C@@H](C)[NH2+]CCCC[C@H](N)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246338186	1067169256	/nfs/dbraw/zinc/16/92/56/1067169256.db2.gz	ATMCZFHFLDALMT-KCSVWFMISA-N	1	3	500.639	4.637	20	0		KJADHO
COc1ccccc1C[C@H](C)[NH2+]CCCC[C@H](N)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246338187	1067169371	/nfs/dbraw/zinc/16/93/71/1067169371.db2.gz	ATMCZFHFLDALMT-MJJZVZMBSA-N	1	3	500.639	4.637	20	0		KJADHO
COc1ccccc1C[C@H](C)[NH2+]CCCC[C@H](N)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246338188	1067170068	/nfs/dbraw/zinc/17/00/68/1067170068.db2.gz	ATMCZFHFLDALMT-NBBVIFTCSA-N	1	3	500.639	4.637	20	0		KJADHO
COc1ccccc1C[C@@H](C)[NH2+]CCCC[C@H](N)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246338191	1067170089	/nfs/dbraw/zinc/17/00/89/1067170089.db2.gz	ATMCZFHFLDALMT-NNYJUNHCSA-N	1	3	500.639	4.637	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@@H]1CCc2cc(F)ccc2C1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246339067	1067169990	/nfs/dbraw/zinc/16/99/90/1067169990.db2.gz	FISTVXQIMAHIOB-FZIXDTKSSA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@@H]1CCc2cc(F)ccc2C1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246339076	1067170027	/nfs/dbraw/zinc/17/00/27/1067170027.db2.gz	FISTVXQIMAHIOB-KEFFAAFJSA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@H]1CCc2cc(F)ccc2C1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246339077	1067169854	/nfs/dbraw/zinc/16/98/54/1067169854.db2.gz	FISTVXQIMAHIOB-LAJKQIPCSA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@H]1CCc2cc(F)ccc2C1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246339080	1067169870	/nfs/dbraw/zinc/16/98/70/1067169870.db2.gz	FISTVXQIMAHIOB-UEACAHGMSA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@@H]1CCc2c(F)cccc2C1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246339691	1067169903	/nfs/dbraw/zinc/16/99/03/1067169903.db2.gz	GMVWYIOWCRUULD-DDQPALIESA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@@H]1CCc2c(F)cccc2C1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246339693	1067170049	/nfs/dbraw/zinc/17/00/49/1067170049.db2.gz	GMVWYIOWCRUULD-GOPYVNMYSA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@H]1CCc2c(F)cccc2C1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246339696	1067169981	/nfs/dbraw/zinc/16/99/81/1067169981.db2.gz	GMVWYIOWCRUULD-NIFJZCPNSA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@H]1CCc2c(F)cccc2C1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246339700	1067170036	/nfs/dbraw/zinc/17/00/36/1067170036.db2.gz	GMVWYIOWCRUULD-VBHBFSRDSA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@@H]1CCc2cccc(F)c2C1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246341960	1067170098	/nfs/dbraw/zinc/17/00/98/1067170098.db2.gz	NOUHTNQGLQKUAP-DDQPALIESA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@@H]1CCc2cccc(F)c2C1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246341962	1067169833	/nfs/dbraw/zinc/16/98/33/1067169833.db2.gz	NOUHTNQGLQKUAP-GOPYVNMYSA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@H]1CCc2cccc(F)c2C1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246341964	1067170005	/nfs/dbraw/zinc/17/00/05/1067170005.db2.gz	NOUHTNQGLQKUAP-NIFJZCPNSA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@H]1CCc2cccc(F)c2C1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246341965	1067169884	/nfs/dbraw/zinc/16/98/84/1067169884.db2.gz	NOUHTNQGLQKUAP-VBHBFSRDSA-N	1	3	500.614	4.693	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@@H]1CSc2ccccc2C1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246343004	1067170017	/nfs/dbraw/zinc/17/00/17/1067170017.db2.gz	QPPNXQOBJYBLLO-GLSOUHKVSA-N	1	3	500.664	4.714	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@H]1CSc2ccccc2C1)C(=O)[C@@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246343019	1067170077	/nfs/dbraw/zinc/17/00/77/1067170077.db2.gz	QPPNXQOBJYBLLO-HCIBPXQFSA-N	1	3	500.664	4.714	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@@H]1CSc2ccccc2C1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246343020	1067169934	/nfs/dbraw/zinc/16/99/34/1067169934.db2.gz	QPPNXQOBJYBLLO-JJOZWIJPSA-N	1	3	500.664	4.714	20	0		KJADHO
N[C@@H](CCCC[NH2+][C@H]1CSc2ccccc2C1)C(=O)[C@H](OC=O)C1c2ccccc2-c2ccccc21	ZINC001246343022	1067170058	/nfs/dbraw/zinc/17/00/58/1067170058.db2.gz	QPPNXQOBJYBLLO-KGAWVNMSSA-N	1	3	500.664	4.714	20	0		KJADHO