smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[NH2+]CCC[C@@H](c1ccc(O)c(O)c1)[NH+]1CCOCC1 ZINC000090714020 185311003 /nfs/dbraw/zinc/31/10/03/185311003.db2.gz AWVUTCZFMQJLCY-HNNXBMFYSA-N 2 2 322.449 2.639 10 10 DFCELP COc1ccc(C[NH2+]Cc2cccnc2)cc1Cn1cc[nH+]c1 ZINC000009740641 425693797 /nfs/dbraw/zinc/69/37/97/425693797.db2.gz USGNJOIWSWBUKZ-UHFFFAOYSA-N 2 2 308.385 2.625 10 10 DFCELP