smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1OC ZINC000192697297 1432876618 /nfs/dbraw/zinc/87/66/18/1432876618.db2.gz AJHMKQYAHMFXDC-IHWFROFDSA-N 2 3 375.557 3.131 10 0 GGAEHP