Search is not available for this dataset
smiles stringlengths 12 61 | mz listlengths 16 322 | intensity listlengths 16 322 |
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0.0... |
CCCC(O)CCNC(C)c1ccc(O)cc1O | [
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CC(CN)CC(=O)NCCc1ncno1 | [
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OC1CCC(COc2ccc(F)c(Cl)c2)CC1 | [
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C=C(CO)C(=O)N1CCC(C2OCCO2)C1 | [
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CC1(CC(O)C23CCC(CNC2)C3)CCC1 | [
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CNC(CC(C1CC1)C1CC1)c1nc(C(C)(C)C)ns1 | [
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O=C(c1ccn(CC2CCC3(CC3)C2)c1)C1CC1 | [
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CC1CCC(N(C)c2ccc(N)c(N)c2)CO1 | [
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CC1CCC(N2CCCC(CCF)C2)CC1O | [
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CSc1ccc(CNC(CC(C)C)C(=O)O)cc1 | [
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CC(c1ccccc1O)N(C)c1ncncc1C#N | [
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CC(C#N)c1cc(-c2ccc(F)cc2)n(C)n1 | [
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O=C(C1CC2C=CC1CC2)N1CC2CC(O)C1C2 | [
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COc1cccc(OCC(O)CCC(C)C)c1 | [
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