smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[N+](C)(C)c1ccccc1[O-] 3198018 166125024 /nfs/dbraw/zinc/12/50/24/166125024.db2.gz YPKLWXADZUBNNC-UHFFFAOYSA-O 0 1 192.282 2.535 1 30 AFEFMN C=CCC[C@@]1(C)SC(=O)C(C)=C1O 101074598 166169166 /nfs/dbraw/zinc/16/91/66/166169166.db2.gz MYRJMWYQLDGGFE-SNVBAGLBSA-N 0 1 198.287 2.817 1 30 AFEFMN C=CCC[C@]1(C)SC(=O)C(C)=C1O 101074600 166169486 /nfs/dbraw/zinc/16/94/86/166169486.db2.gz MYRJMWYQLDGGFE-JTQLQIEISA-N 0 1 198.287 2.817 1 30 AFEFMN C=CCC[N+](C)(C)c1ccccc1[O-] 3197824 166170501 /nfs/dbraw/zinc/17/05/01/166170501.db2.gz QILAXHQPGTWYMO-UHFFFAOYSA-O 0 1 192.282 2.535 1 30 AFEFMN