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[H:9][C:5]#[C:4][C:3](=[S:14])[O:10][H:8].[H:7][C:2](=[S:13])[C:1]([H:6])([F:11])[F:12] | [
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[H:5][C:1]([H:6])([H:7])[C:2]([H:8])([H:9])[S:19]/[C:3](=[N:14]\[H:10])/[N:15]([H:11])[S:20][H:12].[H:13][C:4]([F:16])([F:17])[F:18] | [
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[H:10][C:4]#[C:3][C:2](=[S:20])[C:1](=[S:19])[H:9].[H:16][C:8]1([C@:6]([S:21]1)([C:5]([H:11])([H:12])[H:13])[C:7]([H:14])([H:15])[F:18])[H:17] | [
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[H:7][C@:1]([C:2]([H:8])([F:18])[F:19])([N:16]=[N+:15]([H:5])[H:6])[S-:20]([H:9])[C:3]([H:10])([H:11])[C:4]([H:12])([H:13])[O:17][H:14] | [
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[H:10][C:5]#[C:4][C:3](=[S:14])[S:13][H:9].[H:8][C:2](=[O:11])[C:1]([H:6])([H:7])[F:12] | [
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[H:8][C:2](=[S:17])[C@@:1]([H:7])([F:15])[Cl:18].[H:14][C@@:6]1([C@:3]([C:4]([C:5]1([H:12])[H:13])([H:10])[H:11])([H:9])[Cl:19])[F:16] | [
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[H:17][C:7]#[C:6][C:5]([H:15])([H:16])[Cl:19].[H:11][C:3]1([C:2]([C:1]([C:4]1([H:13])[H:14])([H:8])[F:18])([H:9])[H:10])[H:12] | [
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[H:21]/[C:6](=[N:27]/[S:28][H:22])/[C:5](=[N:26]\[H:20])/[N:25]([H:19])[N:24]([H:17])[H:18].[H:12][C@:3]([C:2]([H:10])([H:11])[C:1]([H:7])([H:8])[H:9])([C:4]([H:15])([H:16])[Cl:29])[N:23]([H:13])[H:14] | [
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[H:13][C:5](=[O:17])[N:15]([C:6](=[S:20])[H:14])[S:19][C:4]([H:10])([H:11])[H:12].[H:7][C@@:1]1([C:3](=[O:16])[S:18][C:2]1([H:8])[H:9])[Cl:21] | [
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[H:10][N:18]=[C:2]([N:16]([H:6])[H:7])[N:17]([H:8])[H:9].[H:5][N:15]1[C:1](=[N:12][N:13]=[N:14]1)[N:11]([H:3])[H:4] | [
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[H:13][C:6](=[C:5]([H:12])[C@@:4]([H:11])([F:16])[Cl:19])[H:14].[H:9][C@:2]1([C@:1]([C@@:3]1([H:10])[Cl:18])([H:8])[S:17][H:7])[F:15] | [
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[H:16][C:7](=[C:6]([H:15])[C:5]([H:13])([H:14])[F:18])[H:17].[H:8][C:1]([H:9])([H:10])[C:2]#[C:3][C:4]([H:11])([H:12])[Cl:19] | [
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[H:19]/[C:6](=[C:7](\[H:20])/[S:25][C:8](=[S:26])[H:21])/[C:5]([H:16])([H:17])[H:18].[H:9][C:1]([H:10])([H:11])[C:2]([C:4](=[S:24])[S:23][H:15])([C:3]([H:12])([H:13])[H:14])[F:22] | [
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[H:11][C:6]#[C:5][C@:3]([H:9])([C:4](=[O:14])[H:10])[F:15].[H:8]/[C:1](=[N:12]/[S:16][H:7])/[C:2]#[N:13] | [
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3.1200220584869385,
14.511476516723633,
31.20784568786621,
12.208086967... |
[H:16]/[C:5](=[C:6](\[H:17])/[Cl:24])/[C:4](=[N:21]\[H:15])/[N:20]([H:13])[H:14].[H:12][C:3](=[S:23])[N:19]([H:11])/[C:2](=[N:18]/[H:10])/[C:1]([H:8])([H:9])[S:22][H:7] | [
1.8558269739151,
-1.9332139492034912,
-0.5101330280303955,
2.3059139251708984,
-1.384281039237976,
0.8250319957733154,
3.019728899002075,
0.7789469957351685,
-0.17826299369335175,
-4.0670390129089355,
0.4399070143699646,
0.5099350214004517,
-3.3327651023864746,
-0.530023992061615,
-0.349... | [
-1073458.5
] | [
6.46272087097168,
-17.934606552124023,
-5.066202163696289,
-3.699146270751953,
-0.8816982507705688,
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-0.5431665182113647,
0.27849245071411133,
-0.9705969095230103,
-1.7348088026046753,
1.078144907951355,
2.8240067958831787,
4.173112869262695,
5.168405532836914,
1.6172... |
[H:8][C:4]#[C:3][C:1](=[C:2]([H:6])[H:7])[F:12].[H:9][O:11][C:5](=[S:14])[S:13][H:10] | [
2.470093011856079,
-0.49076399207115173,
0.11697600036859512,
2.218200922012329,
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-0.4232029914855957,
2.192868947982788,
0.7811669707298279,
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1.962947964668274,
1.852105975151062,
-0.9840459823608398,
-1.618515968322754,
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-0.... | [
-730967.375
] | [
-3.2401421070098877,
-2.383574962615967,
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2.596874475479126,
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15.801630973815918,
11.680017471313477,
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16.269742965698242,
-6.514768123626709,
-0.45521771907806396,
-4.49452018737793,
9.669812202453613,
8.365... |
[H:23][C:9]#[C:8][C@@:7]1([C@@:6]([S:26]1)([H:21])[C:5]([H:18])([H:19])[H:20])[H:22].[H:17][C:4](=[S:25])[C@:2]([H:13])([C:3]([H:14])([H:15])[H:16])[S:24][C:1]([H:10])([H:11])[H:12] | [
-3.5852160453796387,
-2.8012030124664307,
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0.04132400080561638,
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1.2893110513687134,
0.22518399357795715,
2.018218994140625,
-1.2667920589447021,
... | [
-969908.375
] | [
44.425628662109375,
-33.14690399169922,
-14.903889656066895,
15.482282638549805,
14.403141021728516,
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26.50257110595703,
-39.06105... |
[H:10][C:4](=[C:5]([H:11])[Cl:17])/[C:3](=[N:13]/[H:9])/[N:12]([H:7])[H:8].[H:6]/[C:1](=[C:2](/[F:14])\[Cl:16])/[Cl:15] | [
2.6094539165496826,
0.6932079792022705,
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2.6798579692840576,
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0... | [
-1119407
] | [
21.035158157348633,
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13.125927925109863,
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20.4910... |
[H:13][C:5](=[C:6]([H:14])[Cl:19])[S:17][C:4]([H:11])([H:12])[C:3]([H:8])([H:9])[H:10].[H:7][C:1](=[C:2]([F:15])[F:16])[Cl:18] | [
-1.82886803150177,
0.547743022441864,
0.12519699335098267,
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0.41014501452445984,
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1.3622759580612183,
0.23914900422096252,
1.... | [
-1098947
] | [
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111.14594268798828,
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21.577930450439453,
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25.318923950195312,
24.278825... |
[H:5][C:1](=[S:9])[N:7]([H:4])[O:8][H:3].[H:6][C:2]([Cl:10])([Cl:11])[Cl:12] | [
-3.420707941055298,
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-2.0841379165649414,
-0.6027600169181824,
-2.405100107192993,
-0.1076480001211166... | [
-1247046.25
] | [
-4.289445400238037,
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0.61... |
[H:7]/[C:1](=[C:2](/[F:16])\[Cl:18])/[F:15].[H:13][C:5](=[C:6]([H:14])[Cl:19])[S:17][C:4]([H:11])([H:12])[C:3]([H:8])([H:9])[H:10] | [
2.508466958999634,
0.41843101382255554,
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3.552967071533203,
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0.8848469853401184,
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0.... | [
-1099132.75
] | [
-6.249327659606934,
-112.23268127441406,
20.86367416381836,
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37.079551696777344,
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-13.10196304321289,
26.849605560302734,
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23.28283... |
[H:17][C@@:6]([C:7](=[O:23])[N:22]([H:18])[S:26][H:19])([C:5]([H:14])([H:15])[H:16])[F:24].[H:8][C:1]([H:9])([H:10])[C:2](=[S:25])[N:20]([H:11])[C:3]([H:12])([H:13])[C:4]#[N:21] | [
1.9642080068588257,
2.472728967666626,
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2.1505520343780518,
1.3340510129928589,
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3.4599170684814453,
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4.578352928161621,
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0.3... | [
-884573.4375
] | [
-1.9633983373641968,
0.9280200004577637,
0.036328814923763275,
-6.123879909515381,
4.078655242919922,
9.030197143554688,
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0.7604777216911316,
0.47079703211784363,
17.716554641723633,
-12.356698989868164,
-9.560615539550781,
-1.4947131872177124,
-3.1233091354370117,
1.1... |
[H:9]/[C:3](=[C:2](/[C:1]([H:7])([H:8])[F:21])\[F:22])/[F:23].[H:16]/[C:6](=[N:20]/[H:17])/[N:19]([H:15])[N:18]([H:14])[C:5]([H:12])([H:13])[C:4]([H:10])([H:11])[F:24] | [
-3.5973989963531494,
-0.6863700151443481,
0.6695529818534851,
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0.3313570022583008,
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0.09577000141143799,
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3.6664369106292725,
-1.0961300134658813,
-0.09435000270605087,
2.2106359004974365,
-1.5108180046081543,
... | [
-501291.1875
] | [
5.293442249298096,
0.8089516758918762,
3.899961471557617,
2.5664048194885254,
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20.409286499023438,
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2.2430646419525146,
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0.7565... |
[H:14][C:5]#[C:4][C@:2]([H:11])([C:1]([H:8])([H:9])[H:10])[C:3]([H:12])([H:13])[F:18].[H:16][C:7](=[C:6]([H:15])[Cl:19])[H:17] | [
-2.4613780975341797,
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0.9712449908256531,
-2.2180840969085693,
-1.6084409952163696,
... | [
-522482.15625
] | [
-51.01544952392578,
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48.28485870361328,
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50.88983917236... |
[H:11][C@:1]1([C@:3]([C:2]1([H:12])[H:13])([H:14])[S:25][H:15])[S:24][H:10].[H:16][C:5]1([C:4](=[S:26])[C:8]2([C:7]([C:6]1([C:9]2([H:22])[H:23])[H:18])([H:19])[H:20])[H:21])[H:17] | [
-1.940721035003662,
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1.6240010261535645,
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2.6805689334869385,
0.4080980122089386,
-0.07468699663877487,
3.324968099594116,
-0.9200810194015503,
-0... | [
-969999.8125
] | [
1.2404541969299316,
3.0323069095611572,
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2.172447919845581,
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0.0393977165222168,
-1.5803092... |
[H:3][N:8]1[C:2](=[O:12])[N:6]=[N:7][O:13]1.[C:1]1(=[O:9])[O:10][N:4]=[N:5][O:11]1 | [
-2.4043800830841064,
0.6111170053482056,
-0.21856799721717834,
2.241513967514038,
0.8351759910583496,
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0.9156820178031921,
-1.701187014579773,
-1.5176069736480713,
-0.1... | [
-455939.96875
] | [
-6.275092124938965,
2.2772140502929688,
17.674266815185547,
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51.354583740234375,
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65.2056808471... |
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