smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1 ZINC000218071947 333126655 /nfs/dbraw/zinc/12/66/55/333126655.db2.gz JOOQYDVCIVPLTJ-HOTGVXAUSA-N 2 1 288.479 3.977 10 70 CHIEMP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000217791220 333123930 /nfs/dbraw/zinc/12/39/30/333123930.db2.gz JXHAAANFHBYKNX-JLSDUUJJSA-N 2 1 278.484 3.664 10 70 CHIEMP