smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-] ZINC000013541698 209235572 /nfs/dbraw/zinc/23/55/72/209235572.db2.gz AFLBTVGQCQLOFJ-AVGNSLFASA-N 1 3 399.496 -1.734 10 0 GAAEHO N[C@@H](CCCC[NH3+])C(=O)NCC(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000015721923 570218247 /nfs/dbraw/zinc/21/82/47/570218247.db2.gz QHGBBKBFAJZAHZ-RYUDHWBXSA-N 1 3 388.469 -2.627 10 0 GAAEHO