smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(Cc1ccccc1)C[C@@H](Br)CSC(N)=[NH2+] ZINC000004425004 717097865 /nfs/dbraw/zinc/09/78/65/717097865.db2.gz BTSNWLWGGYJWQB-GFCCVEGCSA-N 2 0 331.303 2.653 50 50 EFGARP C[N+](C)(Cc1ccccc1)C[C@H](Br)CSC(N)=[NH2+] ZINC000004425001 717097702 /nfs/dbraw/zinc/09/77/02/717097702.db2.gz BTSNWLWGGYJWQB-LBPRGKRZSA-N 2 0 331.303 2.653 50 50 EFGARP