smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@]2(C)C(=[NH+]CC[NH3+])Nc3ccccc3[C@@H]2N(C)c2ccccc21 ZINC000031853840 202211056 /nfs/dbraw/zinc/21/10/56/202211056.db2.gz VBCPDQACTONVNF-PDXHDDNESA-N 2 2 348.494 4.160 1 30 EIEFLP CCCCCCCCNC1=[NH+]C(C)(C)[NH+]=C(Nc2ccccc2)N1 ZINC000049872063 214034006 /nfs/dbraw/zinc/03/40/06/214034006.db2.gz LTPBCTOTAQNIIY-UHFFFAOYSA-N 2 2 329.492 4.100 1 30 EIEFLP