Search is not available for this dataset
smiles stringlengths 12 61 | mz listlengths 16 322 | intensity listlengths 16 322 |
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CC1COCC1N(C)C(=O)C(=O)NCCN | [
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Cc1cnc(NCCc2nccn2C)c(F)c1 | [
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0.1... |
CCC1(CC)CC(NC2CN(C(=O)C3CC3)C2)CO1 | [
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Cn1nnc(C(NN)C2CC3CCCC2CC3)n1 | [
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Fc1cnc(CNCC2CC3CCCC(C3)C2)c(F)c1 | [
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OC(CC1CCC2(CC2)C1)C1OC2CCC1C2 | [
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0.22,
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CCC(C)CC(CC)N1CCCC(N)C1C | [
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CC(C)CC(CN(C)C)NC1CCCCC1O | [
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CNCc1cc(Cl)c(N(C)Cc2cncn2C)nc1C | [
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0.21,
... |
CNc1ccnc(N(C)CC23COCC2C3)c1 | [
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30,
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38,
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41,
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C1CN(CC2CC3(CC3)CO2)CCC1OC1CNC1 | [
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0.05,
0.25,
0.19,
0.37,
0.28... |
CCC(CN)N(C)CC(=O)NC(C)COC | [
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16,
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71,
72,
73,
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0.07,
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0.14... |
CC(C)C1(C)CC1Nc1ncccc1C(C)(F)F | [
27,
28,
29,
33,
36,
38,
39,
40,
41,
42,
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81,
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86,
89,
91,
92,
93,
94,
95,
96,
97,
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CCNC(c1cnc(OC)cn1)C1C2CCOCC21 | [
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0.33,
0.18,
0.12,
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0.21,... |
COC(C)CS(=N)(=O)Cc1nccs1 | [
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26,
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29,
30,
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38,
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72,
73,
74,
75,
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79,
80,
81,
82,
83,
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86,
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0.12,
0.3,
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0.38,
0.2,
... |
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