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+]1C[C@H]2[C@@H](C1)[C@@H](c1cc(C)ccc1O)[NH2+][C@]2(CO)c1ccccc1	ZINC000065398414	221212093	/nfs/dbraw/zinc/21/20/93/221212093.db2.gz	VQUUOTAODHGYFX-NPDDRXJXSA-N	2	0	352.478	2.801	50	10		FFCARP
c1cc(N2CCC([NH2+][C@@H]3COC4(C3)CC[NH2+]CC4)CC2)cc2c1CCC2	ZINC001506395923	1059489291	/nfs/dbraw/zinc/48/92/91/1059489291.db2.gz	JWQIUWOYHYJVBG-FQEVSTJZSA-N	2	0	355.526	2.645	50	10		FFCARP
c1cc(N2CCC([NH2+][C@H]3COC4(C3)CC[NH2+]CC4)CC2)cc2c1CCC2	ZINC001506395933	1059488930	/nfs/dbraw/zinc/48/89/30/1059488930.db2.gz	JWQIUWOYHYJVBG-HXUWFJFHSA-N	2	0	355.526	2.645	50	10		FFCARP
OCCN1CC[NH+](CCCNc2c3ccccc3[nH+]c3ccccc32)CC1	ZINC000061997400	221138195	/nfs/dbraw/zinc/13/81/95/221138195.db2.gz	RWOHIZRCLKMSKA-UHFFFAOYSA-N	2	0	364.493	2.800	50	10		FFCARP
c1cc(N2CCC([N@@H+]3CCOC4(CC[NH2+]CC4)C3)CC2)cc2c1CCC2	ZINC001506419348	1059507521	/nfs/dbraw/zinc/50/75/21/1059507521.db2.gz	ASHURZIVXAWNGC-UHFFFAOYSA-N	2	0	355.526	2.599	50	10		FFCARP
Cc1c[nH+]ccc1NCC[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1	ZINC000825253693	999302360	/nfs/dbraw/zinc/30/23/60/999302360.db2.gz	UPDDEFRRGKGIPK-UHFFFAOYSA-N	2	0	350.510	2.971	50	10		FFCARP
COCC[NH+]1CCC(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1	ZINC000012707207	220020192	/nfs/dbraw/zinc/02/01/92/220020192.db2.gz	LRHAYJGWAQUGQJ-FQEVSTJZSA-N	2	0	362.514	2.732	50	10		FFCARP
COCC[NH+]1CCC(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1	ZINC000012707215	220019799	/nfs/dbraw/zinc/01/97/99/220019799.db2.gz	LRHAYJGWAQUGQJ-HXUWFJFHSA-N	2	0	362.514	2.732	50	10		FFCARP