smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(C2=Nc3cc(OS(=O)(=O)C(F)(F)F)ccc3Nc3ccccc32)CC1 ZINC000036238019 563092308 /nfs/dbraw/zinc/09/23/08/563092308.db2.gz RDPIPNDQCUEYHW-UHFFFAOYSA-N 1 1 440.447 3.298 1 70 IGIFMO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2)cc1 ZINC000043815915 563121401 /nfs/dbraw/zinc/12/14/01/563121401.db2.gz XMPMFKKAHKTXFM-UHFFFAOYSA-N 1 1 431.537 3.096 1 70 IGIFMO