smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(OC)c1ccc(-c2n[n-]c(=S)o2)cc1 ZINC000218597826 348167321 /nfs/dbraw/zinc/16/73/21/348167321.db2.gz SMODZYVEYZKMFO-UHFFFAOYSA-N -1 0 252.295 2.691 10 70 CFIERM CC1(C)C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc2O1 ZINC000159830003 278378673 /nfs/dbraw/zinc/37/86/73/278378673.db2.gz QRTLRUUNJOGVAT-VIFPVBQESA-N -1 0 273.254 2.967 10 70 CFIERM CC[C@@H](O)CCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000160910446 529223275 /nfs/dbraw/zinc/22/32/75/529223275.db2.gz DUMCOZDIDVIIJE-SSDOTTSWSA-N -1 0 292.162 2.590 10 70 CFIERM CC[C@H](O)CCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000160910375 529693939 /nfs/dbraw/zinc/69/39/39/529693939.db2.gz DUMCOZDIDVIIJE-ZETCQYMHSA-N -1 0 292.162 2.590 10 70 CFIERM CC1(C)C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc2O1 ZINC000159830103 278361093 /nfs/dbraw/zinc/36/10/93/278361093.db2.gz QRTLRUUNJOGVAT-SECBINFHSA-N -1 0 273.254 2.967 10 70 CFIERM