smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)Cc1cc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](C)C(=O)N3C2)ccc1OC ZINC000014742908 210124800 /nfs/dbraw/zinc/12/48/00/210124800.db2.gz XSPXGRLNACTZSC-WBAXXEDZSA-N 2 0 388.512 1.114 50 10 GDCARP