smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000100535468 569763876 /nfs/dbraw/zinc/76/38/76/569763876.db2.gz GRZFYHOUXKAXSB-JWGURIENSA-N -2 2 476.558 4.523 50 10 JJCALL Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000100507668 569763158 /nfs/dbraw/zinc/76/31/58/569763158.db2.gz CNQNSJZWRAKGCN-XQNSMLJCSA-N -2 2 460.559 4.823 50 10 JJCALL