smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN2c3ccc(C=C4C(=O)N(C)C(=O)N(C)C4=O)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1 ZINC000057099755 554352242 /nfs/dbraw/zinc/35/22/42/554352242.db2.gz AATRJIPQIXTYAV-SFHVURJKSA-N 0 3 508.535 -0.166 50 10 KBCAHN CN1CCN2c3ccc(C=C4C(=O)N(C)C(=O)N(C)C4=O)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1 ZINC000245324816 572230887 /nfs/dbraw/zinc/23/08/87/572230887.db2.gz AATRJIPQIXTYAV-GOSISDBHSA-N 0 3 508.535 -0.166 50 10 KBCAHN