smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1O[C@@H](c2ccc3c(c2[O-])C(=O)c2ccc(C[C@@](C)(O)CC(=O)[O-])c(O)c2C3=O)C[C@@H](O)[C@@H]1O[C@H]1CC[C@H](O[C@H]2CCC(=O)[C@H](C)O2)[C@H](C)O1	ZINC000084616914	562744686	/nfs/dbraw/zinc/74/46/86/562744686.db2.gz	AWLGEFWKPFTPQO-SRLSEHIVSA-N	-2	1	712.745	3.242	1	10		KGCFML
O=C([O-])[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(Oc2cc3cc(O)c([O-])cc3oc2=O)c(O)c1	ZINC000085842743	291795186	/nfs/dbraw/zinc/79/51/86/291795186.db2.gz	FGLLLJUSIHHQKZ-YVRWJWEHSA-N	-2	1	536.445	3.366	1	10	endogenous,in-man	KGCFML
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c([O-])c(CN(C)C(=O)CCC(=O)[O-])c4)c(=O)oc3c2C)OC1(C)C	ZINC000095539546	562755127	/nfs/dbraw/zinc/75/51/27/562755127.db2.gz	NSGRRQVZRYDBKP-KRILQTMBSA-N	-3	1	755.774	3.450	1	10		KGCFML
Cc1cc(O)c2c(c1)C(=O)c1c(I)c([O-])c(I)c([O-])c1C2=O	ZINC000169347416	562861997	/nfs/dbraw/zinc/86/19/97/562861997.db2.gz	NRGWKXPKGOBGSH-UHFFFAOYSA-N	-2	1	522.032	3.096	1	10		KGCFML
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CSC(=O)c1ccccc1)C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000169366872	562864535	/nfs/dbraw/zinc/86/45/35/562864535.db2.gz	YVBHFKLQBINJGT-KBWLKWNTSA-N	-2	1	759.708	3.302	1	10		KGCFML
C[C@@H]1O[C@H](C[C@@H]2C=CCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](NC(=O)C(F)(F)F)[C@@H]1O	ZINC000195499691	562872013	/nfs/dbraw/zinc/87/20/13/562872013.db2.gz	ACGSOVGSCAVABR-KIRMWURQSA-N	-2	1	531.483	3.045	1	10		KGCFML