smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000008694287	553119174	/nfs/dbraw/zinc/11/91/74/553119174.db2.gz	BUPGAQRVFVNKEG-CPDSRJINSA-N	-2	0	573.582	4.834	10	30		KJEERL
O=C([O-])COc1ccc(Br)cc1/C=C1\CC/C(=C\c2cc(Br)ccc2OCC(=O)[O-])C1=O	ZINC000049763183	562676836	/nfs/dbraw/zinc/67/68/36/562676836.db2.gz	UXDTXNQAUDAVRJ-FNCQTZNRSA-N	-2	0	566.198	4.968	10	30		KJEERL
O=C([O-])[C@H](CCCNC(=NC(=O)OCc1ccccc1)[N-]C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000071788231	553638274	/nfs/dbraw/zinc/63/82/74/553638274.db2.gz	HZQIQHGUQPYWSW-VWLOTQADSA-N	-2	0	576.606	4.559	10	30		KJEERL
O=C([O-])[C@@H](CCCNC(=NC(=O)OCc1ccccc1)[N-]C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	ZINC000071788232	553638290	/nfs/dbraw/zinc/63/82/90/553638290.db2.gz	HZQIQHGUQPYWSW-RUZDIDTESA-N	-2	0	576.606	4.559	10	30		KJEERL
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](COP(=O)([O-])[O-])NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000077273315	553657534	/nfs/dbraw/zinc/65/75/34/553657534.db2.gz	YUVSZTHGPGQBCL-QVSIZTKGSA-N	-2	0	605.779	4.925	10	30	in-vitro	KJEERL
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])[O-])NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000077273322	553657580	/nfs/dbraw/zinc/65/75/80/553657580.db2.gz	YUVSZTHGPGQBCL-VAZPAFHYSA-N	-2	0	605.779	4.925	10	30	in-vitro	KJEERL