smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)C1	ZINC000430605180	1072591651	/nfs/dbraw/zinc/59/16/51/1072591651.db2.gz	PZHIAWYULSOJIW-DLBZAZTESA-N	2	3	383.537	-0.754	20	0		GBADHP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)C1	ZINC000430605180	1072591647	/nfs/dbraw/zinc/59/16/47/1072591647.db2.gz	PZHIAWYULSOJIW-DLBZAZTESA-N	2	3	383.537	-0.754	20	0		GBADHP
CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)C1	ZINC000430605181	1072592122	/nfs/dbraw/zinc/59/21/22/1072592122.db2.gz	PZHIAWYULSOJIW-IAGOWNOFSA-N	2	3	383.537	-0.754	20	0		GBADHP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)C1	ZINC000430605181	1072592114	/nfs/dbraw/zinc/59/21/14/1072592114.db2.gz	PZHIAWYULSOJIW-IAGOWNOFSA-N	2	3	383.537	-0.754	20	0		GBADHP
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)C1	ZINC000430605183	1072591793	/nfs/dbraw/zinc/59/17/93/1072591793.db2.gz	PZHIAWYULSOJIW-IRXDYDNUSA-N	2	3	383.537	-0.754	20	0		GBADHP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@H](C(=O)NCC[NH3+])C2)C1	ZINC000430605183	1072591791	/nfs/dbraw/zinc/59/17/91/1072591791.db2.gz	PZHIAWYULSOJIW-IRXDYDNUSA-N	2	3	383.537	-0.754	20	0		GBADHP
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)C1	ZINC000430605185	1072591705	/nfs/dbraw/zinc/59/17/05/1072591705.db2.gz	PZHIAWYULSOJIW-SJORKVTESA-N	2	3	383.537	-0.754	20	0		GBADHP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN2CCC[C@@H](C(=O)NCC[NH3+])C2)C1	ZINC000430605185	1072591697	/nfs/dbraw/zinc/59/16/97/1072591697.db2.gz	PZHIAWYULSOJIW-SJORKVTESA-N	2	3	383.537	-0.754	20	0		GBADHP
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1	ZINC000652728951	1072393652	/nfs/dbraw/zinc/39/36/52/1072393652.db2.gz	IWTRUJVWTDLCBH-RCCFBDPRSA-N	2	3	397.564	-0.317	20	0		GBADHP