smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1Cl	ZINC000550607054	568077783	/nfs/dbraw/zinc/07/77/83/568077783.db2.gz	ZXCFVHBVMOXNNM-UHFFFAOYSA-N	1	3	372.940	5.035	20	30		FKEDHO
C=CCOc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1Cl	ZINC000550607054	568077782	/nfs/dbraw/zinc/07/77/82/568077782.db2.gz	ZXCFVHBVMOXNNM-UHFFFAOYSA-N	1	3	372.940	5.035	20	30		FKEDHO
N#CCCC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863666	568499993	/nfs/dbraw/zinc/49/99/93/568499993.db2.gz	KSRAOEQNASLWJB-JBXUNAHCSA-N	1	3	373.544	5.207	20	30		FKEDHO
N#CCCC[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863666	568499992	/nfs/dbraw/zinc/49/99/92/568499992.db2.gz	KSRAOEQNASLWJB-JBXUNAHCSA-N	1	3	373.544	5.207	20	30		FKEDHO
N#CCCC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863673	568500026	/nfs/dbraw/zinc/50/00/26/568500026.db2.gz	KSRAOEQNASLWJB-NDBXHCKUSA-N	1	3	373.544	5.207	20	30		FKEDHO
N#CCCC[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863673	568500025	/nfs/dbraw/zinc/50/00/25/568500025.db2.gz	KSRAOEQNASLWJB-NDBXHCKUSA-N	1	3	373.544	5.207	20	30		FKEDHO
N#CCCC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863674	568500034	/nfs/dbraw/zinc/50/00/34/568500034.db2.gz	KSRAOEQNASLWJB-ZFFYZDHPSA-N	1	3	373.544	5.207	20	30		FKEDHO
N#CCCC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863674	568500033	/nfs/dbraw/zinc/50/00/33/568500033.db2.gz	KSRAOEQNASLWJB-ZFFYZDHPSA-N	1	3	373.544	5.207	20	30		FKEDHO
N#CCCC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863675	568500002	/nfs/dbraw/zinc/50/00/02/568500002.db2.gz	KSRAOEQNASLWJB-ZKGSSEMHSA-N	1	3	373.544	5.207	20	30		FKEDHO
N#CCCC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1	ZINC000559863675	568500000	/nfs/dbraw/zinc/50/00/00/568500000.db2.gz	KSRAOEQNASLWJB-ZKGSSEMHSA-N	1	3	373.544	5.207	20	30		FKEDHO