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-rw-r--r--inst/examples/octanol.R4
1 files changed, 4 insertions, 0 deletions
diff --git a/inst/examples/octanol.R b/inst/examples/octanol.R
new file mode 100644
index 0000000..91e23cf
--- /dev/null
+++ b/inst/examples/octanol.R
@@ -0,0 +1,4 @@
+oct <- chent$new("1-octanol", smiles = "CCCCCCCCO")
+oct$try_pubchem()
+print(oct)
+plot(oct)

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