smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2cccc(N3CCC[C@]4(C3)COCCN(c3cccc(C#N)n3)C4)[nH+]2)CC1 ZINC001164665917 719358909 /nfs/dbraw/zinc/35/89/09/719358909.db2.gz ZKQGBHOOGSTGFU-RUZDIDTESA-N 2 2 447.587 2.223 20 30 IEEDLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C3)COCCN(c3cccc(C#N)n3)C4)[nH+]2)CC1 ZINC001164665931 719358848 /nfs/dbraw/zinc/35/88/48/719358848.db2.gz ZKQGBHOOGSTGFU-VWLOTQADSA-N 2 2 447.587 2.223 20 30 IEEDLP