smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Br)cc(C[NH2+][C@](C)(CO)Cc2ccc(Br)cc2)c1[O-] ZINC001462477182 1126197904 /nfs/dbraw/zinc/19/79/04/1126197904.db2.gz XTFARGHRDMQYHV-SFHVURJKSA-N 0 3 443.179 4.309 20 10 IICDHN Cc1cc(Br)cc(C[NH2+][C@@](C)(CO)Cc2ccc(Br)cc2)c1[O-] ZINC001462477179 1126197927 /nfs/dbraw/zinc/19/79/27/1126197927.db2.gz XTFARGHRDMQYHV-GOSISDBHSA-N 0 3 443.179 4.309 20 10 IICDHN