smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[C@H](C[NH2+]Cc4ccc(N5CCN(C)CC5)cc4)C3)cc2)CC1 ZINC000095590784 562775371 /nfs/dbraw/zinc/77/53/71/562775371.db2.gz IZXAKKTYTPGTIN-RNPORBBMSA-N 2 3 518.794 3.876 1 10 KHCFHP CN1CCN(c2ccc(C[NH2+]C[C@H]3CCC[C@H](C[NH2+]Cc4ccc(N5CCN(C)CC5)cc4)C3)cc2)CC1 ZINC000095590785 562775351 /nfs/dbraw/zinc/77/53/51/562775351.db2.gz IZXAKKTYTPGTIN-KYJUHHDHSA-N 2 3 518.794 3.876 1 10 KHCFHP CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[C@@H](C[NH2+]Cc4ccc(N5CCN(C)CC5)cc4)C3)cc2)CC1 ZINC000095590786 562775336 /nfs/dbraw/zinc/77/53/36/562775336.db2.gz IZXAKKTYTPGTIN-LOYHVIPDSA-N 2 3 518.794 3.876 1 10 KHCFHP