From c947b5c15f4295850687ecb5b89fe9542e191c42 Mon Sep 17 00:00:00 2001
From: kilian <Kilian.seng@web.de>
Date: Wed, 15 Jul 2026 12:43:55 +0200
Subject: [PATCH] Dateien nach "xyz" hochladen

---
 xyz/smiles.txt | 23 +++++++++++++++++++++++
 1 file changed, 23 insertions(+)
 create mode 100644 xyz/smiles.txt

diff --git a/xyz/smiles.txt b/xyz/smiles.txt
new file mode 100644
index 0000000..c6135b5
--- /dev/null
+++ b/xyz/smiles.txt
@@ -0,0 +1,23 @@
+Cinnamicacid:
+OC(=O)\C=C\c1ccccc1
+
+m-Coumaricacid:
+OC(/C=C/C1=CC=CC(O)=C1)=O
+
+p-Coumaricacid:
+OC(=O)\C=C\c1ccc(O)cc1
+
+Benzaldehyd:
+O=Cc1ccccc1
+
+Caffeicacid:
+OC(=O)\C=C\c1ccc(O)c(O)c1
+
+3-Hydroxybenzaldehyd:
+Oc1cccc(C=O)c1
+
+4-Hydroxybenzaldehyd:
+[H]C(=O)c1ccc(O)cc1
+
+3,4-Dihydroxybenzaldehyd:
+Oc1ccc(C=O)cc1O