smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000174425706 822788352 /nfs/dbraw/zinc/78/83/52/822788352.db2.gz LOVUYHDXQBYZQD-NSHDSACASA-N -1 2 382.302 4.418 20 10 GICDLM CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000174425720 822788380 /nfs/dbraw/zinc/78/83/80/822788380.db2.gz LOVUYHDXQBYZQD-LLVKDONJSA-N -1 2 382.302 4.418 20 10 GICDLM