smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N(Cc2cnc[nH]2)C(C)C)cc1 ZINC000095561872 175137526 /nfs/dbraw/zinc/13/75/26/175137526.db2.gz WVVVJKFSBIWQSW-UHFFFAOYSA-N 0 1 245.326 2.833 1 10 BFCFMN [O-]c1c(C[NH+]2CCCC2)ccc2cccnc21 ZINC000001653587 183253510 /nfs/dbraw/zinc/25/35/10/183253510.db2.gz XEUNNZKWRRZAIL-UHFFFAOYSA-N 0 1 228.295 2.536 1 10 BFCFMN C=C1NNC(=O)C1=NNc1ccccc1OC ZINC000102754721 175315793 /nfs/dbraw/zinc/31/57/93/175315793.db2.gz NRCCLBAIQUIZDX-YPKPFQOOSA-N 0 1 232.243 2.848 1 10 BFCFMN CCc1nc2ccc(N=NN(C)C)cc2[nH]1 ZINC000013215790 172009842 /nfs/dbraw/zinc/00/98/42/172009842.db2.gz ALDYMOVIRQWCSN-CCEZHUSRSA-N 0 1 217.276 2.686 1 10 BFCFMN