Search is not available for this dataset
smiles stringlengths 12 61 | mz listlengths 16 322 | intensity listlengths 16 322 |
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CCC(F)CNCCCNC(=O)C1CCC1 | [
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CCNc1nc(C)nc(N2CCCCC2C(C)O)n1 | [
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CC12COC(COCC34CCC(CC3)NC4)(C1)C2 | [
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O=C(O)C1CCC(Cn2c(=O)oc3ccccc32)O1 | [
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CN(C)C(C)(C)C(CC1CC(F)C1)NN | [
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CC(C)N1CC(n2c(S)nc3c2CCC3)C1 | [
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CCC(C)(CNC(=O)NC1(C)CCNC1)OC | [
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