smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=[NH2+])Nc1cc(CCC=CC(=O)CCc2ccc(O)c(OC)c2)cc(O[C@@]2(C[NH2+]C)CC[C@@H](CCO[C@H](CCO)NC[C@H](C)O)C2)c1O	ZINC000085596967	565156737	/nfs/dbraw/zinc/15/67/37/565156737.db2.gz	ZBQKKPAXMYUWAC-ZUXDYRRVSA-N	2	3	699.890	3.586	1	30	biogenic,in-vitro	KHEFHP
CNC(=[NH2+])Nc1cc(CCC=CC(=O)CCc2ccc(O)c(OC)c2)cc(O[C@]2(C[NH2+]C)CC[C@H](CCOCNC[C@H](C)O)C2)c1O	ZINC000085596996	565156656	/nfs/dbraw/zinc/15/66/56/565156656.db2.gz	POKRMTKRDWJGLL-MLAYWZJTSA-N	2	3	655.837	3.835	1	30	biogenic,in-vitro	KHEFHP
NCCC[NH2+]CCCC[NH2+]CCCNCc1ccc(OC2=CC(=O)c3cc4ccccc4cc3C2=O)cc1	ZINC000095564778	562764434	/nfs/dbraw/zinc/76/44/34/562764434.db2.gz	QEKGTYIOZNCXSJ-UHFFFAOYSA-N	2	3	514.670	3.970	1	30		KHEFHP
[NH3+]CCCNCCC[NH2+]CCCNCc1ccc(OC2=CC(=O)c3cc4ccccc4cc3C2=O)cc1	ZINC000095564779	562764431	/nfs/dbraw/zinc/76/44/31/562764431.db2.gz	NEWYRJBENXEZLC-UHFFFAOYSA-N	2	3	500.643	3.580	1	30		KHEFHP