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[H:10][C:5]#[C:4][C@:2]([H:8])([C:3](=[S:12])[H:9])[C:1]([H:6])([H:7])[F:11] | [
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[H:9][C:5](=[C:4]([H:8])[C:3](=[S:12])[C:1](=[C:2]([H:6])[H:7])[F:11])[H:10] | [
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[H:10][C:5]#[C:4][C@:2]([H:8])([C:3](=[S:12])[H:9])[C:1]([H:6])([H:7])[F:11] | [
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22.12... |
[H+:7].[H:6]/[C:1](=[C-:2]\[C:3](=[C:4](\[H:9])/[C:5](=[S:12])[H:10])\[H:8])/[F:11] | [
1.8613150119781494,
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1.1655559539794922,
0.039709001779556274,
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-0.15254299342632294,... | [
-433854.625
] | [
81.4942855834961,
3.2442071437835693,
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29.080190658569336,
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-82.06635284423828,
0.7886967062950134,
38.229373... |
[H+:9].[H:8]/[C-:4]=[C:3](\[C:5](=[S:12])[H:10])/[C:1](=[C:2]([H:6])[H:7])[F:11] | [
-1.07213294506073,
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1.9953210353851318,
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0.9625030159950256,
1.0904500484466553,
... | [
-433836
] | [
45.28370666503906,
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50.8390998840332,
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135.10147094726562,
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19.326080322265625,
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-26.60592460... |
[H:10][C:5]#[C:4][C@:2]([H:8])([C:3](=[S:12])[H:9])[C:1]([H:6])([H:7])[F:11] | [
-0.6990219950675964,
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1.6031910181045532,
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2.801877975463867,
-0.623663008213043... | [
-433864.5625
] | [
40.124534606933594,
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23.629959106445312,
31.13150978088379,
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101.39723205566406,
40.58920669555664,
17.9325637... |
[H:6][C:2]1=[C:1]([C:5]([C@:4]2([C@@:3]1([S:12]2)[H:7])[H:8])([H:9])[H:10])[F:11] | [
-1.3147510290145874,
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0.6866139769554138,
0.7669730186462402,
0.8216580152511597,
0.5129110217094421,
-0.6351240277290344,
1.2790759801864624,
... | [
-433938.0625
] | [
-15.299946784973145,
15.939912796020508,
8.931964874267578,
19.1595516204834,
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50.808380126953125,
4.844876766204834,
-13.286676406860352,
-25.9941806793212... |
[H:9][C:5](=[C:4]([H:8])[C:3](=[S:12])[C:1](=[C:2]([H:6])[H:7])[F:11])[H:10] | [
1.264456033706665,
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0.04061799868941307,
2.2280750274658203,
0.7240800261497498,
0.11765799671411514,
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0.09612499922513962,
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-0.998009979724884,
-1.1564760208129883,
0.021963000297546387,
-2.3366410732269287,
-1.1546629667282104... | [
-433924.15625
] | [
6.666452407836914,
7.5704345703125,
-11.352009773254395,
13.58990478515625,
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0.7837375998497009,
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19.722829818725586,
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-10.128947257995605,
-10.805549621582031,
1.3588263988494873,
7.875651836395264,
3.97321319... |
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