smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)CCCOC(=O)c1ccc(CN(CC)CC)cc1	ZINC000005513640	204137241	/nfs/dbraw/zinc/13/72/41/204137241.db2.gz	ASUQYYGSMJTBQI-UHFFFAOYSA-N	1	3	376.585	4.978	10	0		GJAEHO
Cc1cc(C[N@H+](C)CC2CCN(CCc3ccccc3F)CC2)cc(C)c1O	ZINC000011712427	204351229	/nfs/dbraw/zinc/35/12/29/204351229.db2.gz	DVSINTNRIDUXCE-UHFFFAOYSA-N	1	3	384.539	4.535	10	0		GJAEHO
Cc1cc(C[N@@H+](C)CC2CCN(CCc3ccccc3F)CC2)cc(C)c1O	ZINC000011712427	204351232	/nfs/dbraw/zinc/35/12/32/204351232.db2.gz	DVSINTNRIDUXCE-UHFFFAOYSA-N	1	3	384.539	4.535	10	0		GJAEHO
CCOc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccc(C)cc1	ZINC000020874872	210365681	/nfs/dbraw/zinc/36/56/81/210365681.db2.gz	WJCLFEVQIFKGEH-UHFFFAOYSA-N	1	3	390.955	4.667	10	0		GJAEHO
CN(Cc1cccc2cnccc21)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1	ZINC000055244216	222017825	/nfs/dbraw/zinc/01/78/25/222017825.db2.gz	IVZTWSPNJYAMDK-OAQYLSRUSA-N	1	3	391.534	4.760	10	0		GJAEHO
CN(Cc1cccc2cnccc21)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1	ZINC000055244216	222017829	/nfs/dbraw/zinc/01/78/29/222017829.db2.gz	IVZTWSPNJYAMDK-OAQYLSRUSA-N	1	3	391.534	4.760	10	0		GJAEHO
CC[N@@H+]1CCC[C@@H]1CNCc1cn(Cc2ccccc2Cl)c2ccccc12	ZINC000022936867	207265251	/nfs/dbraw/zinc/26/52/51/207265251.db2.gz	CYJAUTFCEUSTEY-HXUWFJFHSA-N	1	3	381.951	4.917	10	0		GJAEHO
CC[N@H+]1CCC[C@@H]1CNCc1cn(Cc2ccccc2Cl)c2ccccc12	ZINC000022936867	207265255	/nfs/dbraw/zinc/26/52/55/207265255.db2.gz	CYJAUTFCEUSTEY-HXUWFJFHSA-N	1	3	381.951	4.917	10	0		GJAEHO
CC[N@@H+]1CCC[C@H]1CNCc1cn(Cc2ccccc2Cl)c2ccccc12	ZINC000022936871	207265971	/nfs/dbraw/zinc/26/59/71/207265971.db2.gz	CYJAUTFCEUSTEY-FQEVSTJZSA-N	1	3	381.951	4.917	10	0		GJAEHO
CC[N@H+]1CCC[C@H]1CNCc1cn(Cc2ccccc2Cl)c2ccccc12	ZINC000022936871	207265975	/nfs/dbraw/zinc/26/59/75/207265975.db2.gz	CYJAUTFCEUSTEY-FQEVSTJZSA-N	1	3	381.951	4.917	10	0		GJAEHO
C[N@@H+](Cc1ccc2ccccc2n1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1	ZINC000011938368	221138756	/nfs/dbraw/zinc/13/87/56/221138756.db2.gz	RGYQWQPYKSRBDA-OAQYLSRUSA-N	1	3	391.534	4.760	10	0		GJAEHO
C[N@H+](Cc1ccc2ccccc2n1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1	ZINC000011938368	221138757	/nfs/dbraw/zinc/13/87/57/221138757.db2.gz	RGYQWQPYKSRBDA-OAQYLSRUSA-N	1	3	391.534	4.760	10	0		GJAEHO