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Simple Ligand 1
Teststructure
6 6 0 0 1 0 999 V2000
0.0000 0.0000 0.0000 N 0 3 0 0 0 0
1.0000 0.0000 0.0000 C 0 0 0 0 0 0
0.0000 1.0000 0.0000 O 0 0 0 0 0 0
1.0000 1.0000 0.0000 S 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0
-1.0000 -1.0000 0.0000 Cl 0 0 0 0 0 0
1 2 2 0 0 0
1 3 1 0 0 0
1 6 1 0 0 0
2 4 1 0 0 0
3 4 1 0 0 0
4 5 3 0 0 0
M END
> <>
1
> <prop_two>
-2
$$$$
Simple Ligand 2
Teststructure
6 6 0 0 1 0 999 V2000
0.0000 0.0000 0.0000 N 0 3 0 0 0 0
1.0000 0.0000 0.0000 C 0 0 0 0 0 0
0.0000 1.0000 0.0000 O 0 0 0 0 0 0
1.0000 1.0000 0.0000 S 0 0 0 0 0 0
2.0000 2.0000 0.0000 C 0 0 0 0 0 0
-1.0000 -1.0000 0.0000 Cl 0 0 0 0 0 0
1 2 2 0 0 0
1 3 1 0 0 0
1 6 1 0 0 0
2 4 1 0 0 0
3 4 1 0 0 0
4 5 3 0 0 0
M END
> <prop_one>
2
> <prop_two>
-4
$$$$
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