smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2	ZINC001164840509	720659446	/nfs/dbraw/zinc/65/94/46/720659446.db2.gz	MYXTYZFKZJKFHI-QFIPXVFZSA-N	2	0	431.584	3.249	20	30		IGEDRP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc3c(c2C#N)CCC[NH2+]C3)CC1	ZINC001165017930	721837698	/nfs/dbraw/zinc/83/76/98/721837698.db2.gz	SFDIORUTZRFOKV-UHFFFAOYSA-N	2	0	435.572	3.107	20	30		IGEDRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2	ZINC001164840507	720659193	/nfs/dbraw/zinc/65/91/93/720659193.db2.gz	MYXTYZFKZJKFHI-JOCHJYFZSA-N	2	0	431.584	3.249	20	30		IGEDRP
N#Cc1c2c(cnc1N1CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C1)C[NH2+]CCC2	ZINC001164906161	721584304	/nfs/dbraw/zinc/58/43/04/721584304.db2.gz	ZDSXJJBLVDIUFC-HSZRJFAPSA-N	2	0	438.526	3.122	20	30		IGEDRP
N#Cc1c2c(cnc1N1CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C1)C[NH2+]CCC2	ZINC001164906162	721584181	/nfs/dbraw/zinc/58/41/81/721584181.db2.gz	ZDSXJJBLVDIUFC-QHCPKHFHSA-N	2	0	438.526	3.122	20	30		IGEDRP