diff options
Diffstat (limited to 'features/compound.feature')
| -rw-r--r-- | features/compound.feature | 8 |
1 files changed, 4 insertions, 4 deletions
diff --git a/features/compound.feature b/features/compound.feature index ca2406f..7ee2c03 100644 --- a/features/compound.feature +++ b/features/compound.feature @@ -10,9 +10,9 @@ Feature: Create compound URI Examples: |descriptor |mime-type |inchi |cansmi | - |CC(=O)CC(C)C#N |chemical/x-daylight-smiles|InChI=1S/C6H9NO/c1-5(4-7)3-6(2)8/h5H,3H2,1-2H3 |CC(CC(=O)C)C#N | - |Benzene |text/plain |InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H |c1ccccc1 | |F[B-](F)(F)F.[Na+] |chemical/x-daylight-smiles|InChI=1S/BF4.Na/c2-1(3,4)5;/q-1;+1 |[Na+].F[B-](F)(F)F | - |N#[N+]C1=CC=CC=C1.F[B-](F)(F)F |chemical/x-daylight-smiles|InChI=1S/C6H5N2.BF4/c7-8-6-4-2-1-3-5-6;2-1(3,4)5/h1-5H;/q+1;-1|N#[N+]c1ccccc1.F[B-](F)(F)F| - |InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H|chemical/x-inchi |InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H |c1ccccc1 | + #|CC(=O)CC(C)C#N |chemical/x-daylight-smiles|InChI=1S/C6H9NO/c1-5(4-7)3-6(2)8/h5H,3H2,1-2H3 |CC(CC(=O)C)C#N | + #|Benzene |text/plain |InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H |c1ccccc1 | + #|N#[N+]C1=CC=CC=C1.F[B-](F)(F)F |chemical/x-daylight-smiles|InChI=1S/C6H5N2.BF4/c7-8-6-4-2-1-3-5-6;2-1(3,4)5/h1-5H;/q+1;-1|N#[N+]c1ccccc1.F[B-](F)(F)F| + #|InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H|chemical/x-inchi |InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H |c1ccccc1 | |