smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1O ZINC000020912446 525921875 /nfs/dbraw/zinc/92/18/75/525921875.db2.gz QCKBVHRBPYWQCC-HXUWFJFHSA-N 2 1 429.580 3.816 10 10 IHCEMP COc1cccc(CN(CC[NH+](C)C)C[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1O ZINC000020912449 525919530 /nfs/dbraw/zinc/91/95/30/525919530.db2.gz QCKBVHRBPYWQCC-FQEVSTJZSA-N 2 1 429.580 3.816 10 10 IHCEMP