smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=C([O-])C=c2c3c(cc(O)c21)O[C@]1(O)CC(=O)c2c(O)cc([O-])cc2C=31	ZINC000013368990	221266993	/nfs/dbraw/zinc/26/69/93/221266993.db2.gz	XHIWSZYOSKMPEN-HXUWFJFHSA-N	-2	1	380.308	1.805	1	30		GDEFML
O=C1C=C([O-])C=c2c3c(cc(O)c21)O[C@@]1(O)CC(=O)c2c(O)cc([O-])cc2C=31	ZINC000013368988	221266491	/nfs/dbraw/zinc/26/64/91/221266491.db2.gz	XHIWSZYOSKMPEN-FQEVSTJZSA-N	-2	1	380.308	1.805	1	30		GDEFML
CCCCCCCC[C@H](N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)[O-])C(=O)[O-]	ZINC000036222721	581091876	/nfs/dbraw/zinc/09/18/76/581091876.db2.gz	UERNDUXVRTZBPS-IHRRRGAJSA-N	-2	1	385.461	1.516	1	30		GDEFML
O=C([O-])[C@H]1[C@@H](C(=O)[O-])NCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1	ZINC000082156329	212149908	/nfs/dbraw/zinc/14/99/08/212149908.db2.gz	TVNLKZYBKGEOFT-ZWKOTPCHSA-N	-2	1	378.384	1.038	1	30		GDEFML
CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccccc1)NC[P@](=O)([O-])O)C(=O)[O-]	ZINC000013779378	212098406	/nfs/dbraw/zinc/09/84/06/212098406.db2.gz	BIWWMKYCSUXSIM-HOTGVXAUSA-N	-2	1	396.380	1.137	1	30		GDEFML