smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(C[C@@H](O)C[NH2+][C@@H](CO)C(N)=O)CC2)cc1 ZINC000843073924 658670809 /nfs/dbraw/zinc/67/08/09/658670809.db2.gz VQYZRUUYZURBBT-HOCLYGCPSA-N 1 1 352.435 -1.386 20 10 FACDMO COc1ccc(N2CCN(C[C@H](O)C[NH2+][C@@H](CO)C(N)=O)CC2)cc1 ZINC000843073932 658671210 /nfs/dbraw/zinc/67/12/10/658671210.db2.gz VQYZRUUYZURBBT-ZBFHGGJFSA-N 1 1 352.435 -1.386 20 10 FACDMO