smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C)c([C@H](C)N(C)C(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000216968494 241228740 /nfs/dbraw/zinc/22/87/40/241228740.db2.gz SBTGFVDCUNXUKT-INWMFGNUSA-N 0 0 336.545 5.132 20 70 EKIDRN