Search is not available for this dataset
smiles stringlengths 12 61 | mz listlengths 16 322 | intensity listlengths 16 322 |
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Nc1cnc(F)[nH]c1=NC1CC2C(C1)C2(F)F | [
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CCN(CC(F)F)C1(C(=O)O)CC2CC2C1 | [
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NC(=O)C1CC1C(=O)N1CC2CNCC2C1 | [
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CC(=O)NC1(Cc2ccoc2)CCCNC1 | [
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CCCc1ccc(C(N)CC2C=CCCCC2)cc1 | [
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c1cc(CCNCCN2CCCC2)sn1 | [
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CC1=CC(NCc2cn(C)nc2C(C)(C)C)CCC1 | [
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CN(CCC#N)C1(C(=O)O)CNCC(C)(C)C1 | [
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CCC(COC)NC(=O)C1COCC1C(=O)O | [
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COC1COCC1N(C)CCCC(C)(C)N | [
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CCNC(c1ccc(C)cc1)C(C)(COC)OC | [
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0.03,
0.17,
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0.7... |
OCc1cnc(NC2COC3(CCOC3)C2)o1 | [
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25,
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CCC1CCCC(C(Cc2nc(C)nn2C)NC)C1 | [
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44,
45,
50,
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124,
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126,
127,
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13... | [
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CC(C)C1CSC(=NC2CCC3CN(C)CC32)N1 | [
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82,
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COCC1(CNC(C)c2cc(C)ccc2C)CCC1 | [
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81,
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87,
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... |
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