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46 lines
1.0 KiB
Plaintext
46 lines
1.0 KiB
Plaintext
mol_15625
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8 7 0 0 0 0 0 0 0 0999 V2000
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-0.7500 -1.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.2500 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.0000 2.5981 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
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3 4 1 0
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2 3 2 0
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2 5 1 0
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6 7 1 0
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5 6 2 0
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5 8 1 0
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M END
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> <Column_0> S.No.: 0
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ClC(=N\O)/C(=N\O)Br
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> <Column_1> S.No.: 0
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mol_15625
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> <Column_2> S.No.: 0
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None
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> <Column_3> S.No.: 0
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21.90
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> <Column_4> S.No.: 0
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Scaffold_00
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> <Column_5> S.No.: 0
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divscreen
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> <Column_6> S.No.: 0
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0
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> <_doIsoSmiles> S.No.: 0
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1
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$$$$
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