1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39
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$RXN
ISIS 082220061156
2 2
$MOL
-ISIS- 08220611562D
2 1 0 0 0 0 0 0 0 0999 V2000
1.4000 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0
2.2250 -0.9375 0.0000 Br 0 0 0 0 0 0 0 0 0 2 0 0
1 2 1 0 0 0 0
M END
$MOL
-ISIS- 08220611562D
1 0 0 0 0 0 0 0 0 0999 V2000
4.4292 -0.9083 0.0000 O 0 5 0 0 0 0 0 0 0 3 0 0
M CHG 1 1 -1
M END
$MOL
-ISIS- 08220611562D
2 1 0 0 0 0 0 0 0 0999 V2000
9.3958 -0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 3 0 0
10.3250 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 1 1 0
1 2 1 0 0 0 0
M END
$MOL
-ISIS- 08220611562D
1 0 0 0 0 0 0 0 0 0999 V2000
12.7667 -0.8458 0.0000 Br 0 5 0 0 0 0 0 0 0 2 0 0
M CHG 1 1 -1
M END
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