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[NH+]1CCC(C[N@H+](C)Cc2ccc(O)c(O)c2)CC1 ZINC000067489639 425911089 /nfs/dbraw/zinc/91/10/89/425911089.db2.gz YXPFTSJUGCWOEX-UHFFFAOYSA-N 2 0 306.450 2.898 50 10 DFCARP Cc1nc[nH]c1CSCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC000067842360 425914094 /nfs/dbraw/zinc/91/40/94/425914094.db2.gz WVQCYXHFEWUFNF-UHFFFAOYSA-N 2 0 322.522 2.853 50 10 DFCARP COc1ccc(O)c(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000000243762 425548498 /nfs/dbraw/zinc/54/84/98/425548498.db2.gz WXXROAURYLOVGP-UHFFFAOYSA-N 2 0 304.434 2.851 50 10 DFCARP