smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CN2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)ccc1OCC=C(C)C ZINC000217030357 241234351 /nfs/dbraw/zinc/23/43/51/241234351.db2.gz BWFYQKYYGZFZMR-LDLYASANSA-N 1 3 344.499 3.280 50 70 EGIAHO C[C@H](c1ccc(CN2CCC(c3nccn3C)CC2)cc1)[NH+](C)C ZINC000217648167 241265894 /nfs/dbraw/zinc/26/58/94/241265894.db2.gz BIHQASZEIBYJOT-MRXNPFEDSA-N 1 3 326.488 3.422 50 70 EGIAHO C[C@@H](c1ccc(CN2CCC(c3nccn3C)CC2)cc1)[NH+](C)C ZINC000217648081 241264618 /nfs/dbraw/zinc/26/46/18/241264618.db2.gz BIHQASZEIBYJOT-INIZCTEOSA-N 1 3 326.488 3.422 50 70 EGIAHO