smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2	ZINC001164712069	720093724	/nfs/dbraw/zinc/09/37/24/720093724.db2.gz	UXRYEXOXIFSCHC-QFIPXVFZSA-N	2	1	446.599	2.892	20	30		IFEDMP
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2	ZINC001164712066	720094659	/nfs/dbraw/zinc/09/46/59/720094659.db2.gz	UXRYEXOXIFSCHC-JOCHJYFZSA-N	2	1	446.599	2.892	20	30		IFEDMP
N#Cc1c2c(cnc1N1CCC3(CC1)COCC[N@@H+](Cc1ccncc1)C3)C[NH2+]CCC2	ZINC001164958190	722051553	/nfs/dbraw/zinc/05/15/53/722051553.db2.gz	DSZLMESEPSEVGI-UHFFFAOYSA-N	2	1	432.572	2.503	20	30		IFEDMP
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2	ZINC001164681561	719630265	/nfs/dbraw/zinc/63/02/65/719630265.db2.gz	IAONVAVXIWYIIF-UHFFFAOYSA-N	2	1	439.636	2.769	20	30		IFEDMP
COC(=O)c1c(C#C[Si](C)(C)C)ccnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2	ZINC001164681561	719630275	/nfs/dbraw/zinc/63/02/75/719630275.db2.gz	IAONVAVXIWYIIF-UHFFFAOYSA-N	2	1	439.636	2.769	20	30		IFEDMP