smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1nc(C=Cc2cccc(OCc3ccc(Cl)cc3)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000409316060 231189930 /nfs/dbraw/zinc/18/99/30/231189930.db2.gz KVNMGNHOFOHZAL-TWGQIWQCSA-N -2 3 399.790 4.199 40 5 GIBBHL O=c1nc(C=Cc2ccccc2OCc2ccccc2Cl)c([N+](=O)[O-])c([O-])[n-]1 ZINC000409303085 231189290 /nfs/dbraw/zinc/18/92/90/231189290.db2.gz LIXBLFRPUQRLFS-KTKRTIGZSA-N -2 3 399.790 4.199 40 5 GIBBHL O=c1nc(C=Cc2cccc(OCc3ccccc3Cl)c2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000409335552 231191931 /nfs/dbraw/zinc/19/19/31/231191931.db2.gz OXELHFYXIHDKMW-HJWRWDBZSA-N -2 3 399.790 4.199 40 5 GIBBHL O=c1nc(C=Cc2ccccc2OCc2ccc(Cl)cc2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000409315122 231189673 /nfs/dbraw/zinc/18/96/73/231189673.db2.gz IHTIQOPXFDKFHW-YFHOEESVSA-N -2 3 399.790 4.199 40 5 GIBBHL