smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000004556777 557567848 /nfs/dbraw/zinc/56/78/48/557567848.db2.gz WBSCNDJQPKSPII-KKUMJFAQSA-N 2 3 402.540 -1.245 50 0 HAAAHP N[C@@H](CCCC[NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000004556779 557567870 /nfs/dbraw/zinc/56/78/70/557567870.db2.gz WBSCNDJQPKSPII-ZNMIVQPWSA-N 2 3 402.540 -1.245 50 0 HAAAHP N[C@@H](CCCC[NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000104850389 559161757 /nfs/dbraw/zinc/16/17/57/559161757.db2.gz WBSCNDJQPKSPII-RRFJBIMHSA-N 2 3 402.540 -1.245 50 0 HAAAHP N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000247755748 568745595 /nfs/dbraw/zinc/74/55/95/568745595.db2.gz WBSCNDJQPKSPII-SOUVJXGZSA-N 2 3 402.540 -1.245 50 0 HAAAHP