Search is not available for this dataset
smiles stringlengths 12 61 | mz listlengths 16 322 | intensity listlengths 16 322 |
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CC1(C)CC(C)(COCC23CNC(CO2)C3)C1 | [
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COC1CC(O)CN(C2CCCC2OC(C)C)C1 | [
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COC(C)C(C)NC(=O)COc1ccc(C(C)C)cc1 | [
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CC(Cc1cccs1)NC(=O)C(O)C1CC1 | [
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COC(=O)COC(=O)Cc1ccc(Cl)c(F)c1 | [
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CNCCn1cc(C(=O)CC2CC3CCC2O3)cn1 | [
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CC1(C)CC(=O)C(CCC2CCO2)(C(=O)O)CO1 | [
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COCC1CC1C(=O)NCC(C)(N)C1CCC1 | [
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COc1nccc(C)c1C(NN)C1CC2(CC2)CO1 | [
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CCC(N)c1ccccc1N(C)CC12COCC(C1)C2 | [
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COCc1ccccc1NC1CCOC1 | [
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Cc1nnc(COC(=O)Cc2cn(C)c3ccccc23)o1 | [
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C=C(C)CCN1Cc2ccc(CNC(=O)C3CC3C)cc2C1 | [
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92,
93,
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95,
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101... | [
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CCC#CC(OCCCN)c1cn(C)nc1C(C)(C)C | [
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34,
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79,
80,
81,
82,
83,
84,
85,
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CC(C)(C)NC(=O)CCN1CC2CCCCC21 | [
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98,
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Nc1ccc(F)cc1N1C2CCC1CNC2 | [
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0.1... |
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