smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+]([C@@H](CNC(=O)C(=O)NCC[NH+](C)C)c3ccco3)CC2)cc1 ZINC000009828956 132241624 /nfs/dbraw/zinc/24/16/24/132241624.db2.gz WVLAPMWVHZIEMC-FQEVSTJZSA-N 2 2 443.548 0.946 50 10 ICCALP COc1ccc(N2CC[NH+]([C@H](CNC(=O)C(=O)NCC[NH+](C)C)c3ccco3)CC2)cc1 ZINC000009828957 132241734 /nfs/dbraw/zinc/24/17/34/132241734.db2.gz WVLAPMWVHZIEMC-HXUWFJFHSA-N 2 2 443.548 0.946 50 10 ICCALP