smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](Sc1cc(Cl)c(C)cc1S(=O)(=O)Nc1nc(N)nc(N(C)C)n1)C(=O)[O-] ZINC000006013593 554499450 /nfs/dbraw/zinc/49/94/50/554499450.db2.gz FGPRWXULIZEMQN-SNVBAGLBSA-N -1 2 460.969 2.238 40 0 JEABLM CC[C@H](Sc1cc(Cl)c(C)cc1S(=O)(=O)Nc1nc(N)nc(N(C)C)n1)C(=O)[O-] ZINC000005729360 554493251 /nfs/dbraw/zinc/49/32/51/554493251.db2.gz FGPRWXULIZEMQN-JTQLQIEISA-N -1 2 460.969 2.238 40 0 JEABLM Cn1c([O-])c(C(c2cccc(Cl)c2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S ZINC000409094462 570125960 /nfs/dbraw/zinc/12/59/60/570125960.db2.gz FLNWGGINNWCRED-UHFFFAOYSA-N -1 2 466.972 2.465 40 0 JEABLM CC(C)c1nc(NS(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-] ZINC000034049000 569639560 /nfs/dbraw/zinc/63/95/60/569639560.db2.gz DJUKMHIJCDJSIJ-GUFYHEMZSA-N -1 2 467.519 2.377 40 0 world JEABLM