smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@](C)(O)c1cc2ccccc2s1	ZINC000217514035	568887724	/nfs/dbraw/zinc/88/77/24/568887724.db2.gz	AUNZYYBZKQLWAQ-KRWDZBQOSA-N	-1	3	411.526	2.935	50	70		HFIAHM
CC(C)n1nccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@H]1CCOC(C)(C)C1	ZINC000218271819	568477202	/nfs/dbraw/zinc/47/72/02/568477202.db2.gz	RJQRCELQXGHWGE-LRDDRELGSA-N	-1	3	405.524	2.859	50	70		HFIAHM
CC(C)n1nccc1[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@@H]1CCOC(C)(C)C1	ZINC000218271714	568477235	/nfs/dbraw/zinc/47/72/35/568477235.db2.gz	RJQRCELQXGHWGE-WBMJQRKESA-N	-1	3	405.524	2.859	50	70		HFIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)CC(=O)O2	ZINC000217619049	568899098	/nfs/dbraw/zinc/89/90/98/568899098.db2.gz	OIKFUBTYHUTFGM-CYBMUJFWSA-N	-1	3	407.378	2.649	50	70	biogenic	HFIAHM
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@](C)(O)c1cc2ccccc2s1	ZINC000217513948	568887767	/nfs/dbraw/zinc/88/77/67/568887767.db2.gz	AUNZYYBZKQLWAQ-QGZVFWFLSA-N	-1	3	411.526	2.935	50	70		HFIAHM
CC(C)n1nccc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@H]1CCOC(C)(C)C1	ZINC000218271754	568477190	/nfs/dbraw/zinc/47/71/90/568477190.db2.gz	RJQRCELQXGHWGE-BLLLJJGKSA-N	-1	3	405.524	2.859	50	70		HFIAHM
Cn1c(CNC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)nc2ccccc21	ZINC000217815235	568474063	/nfs/dbraw/zinc/47/40/63/568474063.db2.gz	MZWGBGDFTNYGOQ-UHFFFAOYSA-N	-1	3	409.442	2.718	50	70	biogenic	HFIAHM
CC(C)n1nccc1[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2[C@@H]1CCOC(C)(C)C1	ZINC000218271642	568477211	/nfs/dbraw/zinc/47/72/11/568477211.db2.gz	RJQRCELQXGHWGE-MLGOLLRUSA-N	-1	3	405.524	2.859	50	70		HFIAHM
CC(=O)c1ccc2c(c1[O-])[C@H](c1cc3cc4c(cc3[nH]c1=O)OCCO4)CC(=O)O2	ZINC000217618974	568899063	/nfs/dbraw/zinc/89/90/63/568899063.db2.gz	OIKFUBTYHUTFGM-ZDUSSCGKSA-N	-1	3	407.378	2.649	50	70	biogenic	HFIAHM