Search is not available for this dataset
smiles stringlengths 12 61 | mz listlengths 16 322 | intensity listlengths 16 322 |
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CCNCCCCC(=O)N(CCO)C1CC1C | [
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CCC1COCC1(O)C(=O)c1ncc(F)cn1 | [
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Cc1ncc(CN2CCOC(C)C2C(=O)O)o1 | [
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COc1ccnc(C(=O)N2CC(C)OC(C)C2C)c1 | [
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CC(CC1(CN)OC2CCC1C2)OC(C)(C)C | [
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O=C(NC(CO)C(=O)O)C1CNC2(CCCC2)C1 | [
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CCCCCSCCN(CC)C(C)C(=O)O | [
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C=C1CC1CC1(O)CCC2(CN(C(=O)OC(C)(C)C)C2)C1 | [
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CC(Nc1ccc(C(N)=O)nn1)c1nnc[nH]1 | [
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CNC1(C(=O)OC)CCCC(OCC2C(C)C2C)C1 | [
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CCCc1ccc(C(=O)NC2C3CN(C(C)=O)CC32)cc1 | [
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CCC(C)(OCCC(=O)O)c1ncc(C)cc1C | [
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Cn1cccc1C1CCCCN1C(=O)c1cnn2ccccc12 | [
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38,
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84,
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91,
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93,
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101,... | [
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Cc1nn[nH]c1CNC(=O)C12CNCC1CCO2 | [
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CSCC1(N)CC(F)(c2ncc3n2CCC3)C1 | [
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