smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCNC(=O)c1ccc(NCC[NH+](C)C)c2cc3cc(N)ccc3nc12 ZINC000027525366 207325411 /nfs/dbraw/zinc/32/54/11/207325411.db2.gz VXDYLVWSCBCFSN-UHFFFAOYSA-N 1 3 394.523 2.235 1 5 GEBFHO