Search is not available for this dataset
smiles stringlengths 12 61 | mz listlengths 16 322 | intensity listlengths 16 322 |
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Cc1c(OC(C)C)ncnc1C(=O)CC1CC1C1CC1 | [
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CCc1nc(C(NC)C2(O)CC3C=CC2C3)cn1C | [
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NC1CC(CC(=O)NC2CCC23CCCC3)C1 | [
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CC(CNC1CC1)COCC12CC(CO1)C2 | [
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CCC1CCC(C(=O)O)C(N2Cc3conc3C2)C1 | [
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CN(C(=O)c1cnn2c1NCC2)C1CC2CC1C1CC21 | [
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NC1CC2(C1)CN(c1nc(Cl)nc3[nH]cnc13)C2 | [
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CCNc1cnc(CN(C)C2CCC(C(C)C)C2)cn1 | [
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Cc1cc(C)c(C(NN)c2ccn(C3CC3)n2)c(C)c1 | [
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CC(C)=CCCC(C)=NNc1cncnc1 | [
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CCCNC(CN1CCC1)c1ccccc1 | [
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CCCC(N)C(O)c1cc(COC)cs1 | [
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C=C(C)CCOC(=O)c1ccc(-c2ccccc2)nc1O | [
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