smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1 ZINC000043620392 563170777 /nfs/dbraw/zinc/17/07/77/563170777.db2.gz NFXOUTIYKMHBBL-UHFFFAOYSA-N 2 0 482.925 2.201 40 70 JEIBRP CN1CCN(C(=O)Cc2cn(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c3ccccc23)CC1 ZINC000217527679 569880270 /nfs/dbraw/zinc/88/02/70/569880270.db2.gz QCJOBTAFYRUYSY-RBBKRZOGSA-N 2 0 459.594 2.196 40 70 JEIBRP