smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(NC(=O)OC(C)(C)C)nc3)CC2)cc1 ZINC001308186529 1070338502 /nfs/dbraw/zinc/33/85/02/1070338502.db2.gz GVOGRXNZDIKWEP-UHFFFAOYSA-N 2 2 455.603 3.739 20 10 JHCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(Br)cccc3[N+](=O)[O-])cc2F)CC1 ZINC001308252051 1070346082 /nfs/dbraw/zinc/34/60/82/1070346082.db2.gz UAKDKSGTTMTHSK-UHFFFAOYSA-N 2 2 451.340 3.928 20 10 JHCDLP