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(=[NH2+])N1c1cccc(CCCCc2cccc(S(=O)(=O)F)c2)c1 ZINC000043300669 563119888 /nfs/dbraw/zinc/11/98/88/563119888.db2.gz PJPGRWDAXRQCIQ-UHFFFAOYSA-N 2 1 431.537 3.096 1 70 IGIFMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCCCc2ccc(S(=O)(=O)F)cc2)c1 ZINC000043307571 563120008 /nfs/dbraw/zinc/12/00/08/563120008.db2.gz UHUCUIUNKNVIKF-UHFFFAOYSA-N 2 1 431.537 3.096 1 70 IGIFMP