From 15b6705f66b7c1bc0b34411ad9d3d91d352b8120 Mon Sep 17 00:00:00 2001 From: kilian Date: Wed, 15 Jul 2026 11:03:51 +0200 Subject: [PATCH] Dateien nach "Vanilla" hochladen --- Vanilla/smiles.txt | 23 +++++++++++++++++++++++ 1 file changed, 23 insertions(+) create mode 100644 Vanilla/smiles.txt diff --git a/Vanilla/smiles.txt b/Vanilla/smiles.txt new file mode 100644 index 0000000..c6135b5 --- /dev/null +++ b/Vanilla/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