smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C/N=C(\SCc1c(F)cccc1Cl)SC(=S)Oc1cc(Cl)ccc1Cl	ZINC000015443996	526428285	/nfs/dbraw/zinc/42/82/85/526428285.db2.gz	XUWZQBXZNRXFCR-PXLXIMEGSA-N	0	0	465.811	6.953	30	30		JKECRN
CCCCCCCCCCCCCCCCCCNc1nc(Br)c(C(=O)OC)s1	ZINC000100505822	569763082	/nfs/dbraw/zinc/76/30/82/569763082.db2.gz	MJMLRTGQWVMOQO-UHFFFAOYSA-N	0	0	489.564	8.366	30	30		JKECRN
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@@H](OCCCO)[C@@H]1O	ZINC000003934328	194367061	/nfs/dbraw/zinc/36/70/61/194367061.db2.gz	FZEXGDDBXLBRTD-AYIMTCTASA-N	0	0	490.725	5.082	30	30	investigational	JKECRN
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](OCCC#N)C[C@@H]1O	ZINC000095644680	569728460	/nfs/dbraw/zinc/72/84/60/569728460.db2.gz	JEXMJWGETRFCMK-MSCDRTKFSA-N	0	0	469.710	6.643	30	30		JKECRN