smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)C[C@@H]([NH3+])CC=C(O)NC(N)=[NH2+])[C@@H]1CNC(=NC(N)=O)NC1=O ZINC000066099233 221241311 /nfs/dbraw/zinc/24/13/11/221241311.db2.gz TXZGIBIXTQYMTR-NKWVEPMBSA-N 2 2 369.386 -2.895 1 30 FAEFLP CN(C(=O)C[C@@H]([NH3+])CC=C(O)NC(N)=[NH2+])[C@H]1CNC(=NC(N)=O)NC1=O ZINC000066099236 205364727 /nfs/dbraw/zinc/36/47/27/205364727.db2.gz TXZGIBIXTQYMTR-BQBZGAKWSA-N 2 2 369.386 -2.895 1 30 FAEFLP