jablonkagroup/chempile-lift-2 · Datasets at Hugging Face

The molecule with the SMILES representation of Cc1cc(C(=O)NNCc2ccccc2)no1 has a spectral entropy of 1.178 nat.

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The molecule with the InChI representation of InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16) has a spectral entropy of 2.461 nat.

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The molecule with the SMILES Cc1cc(C(=O)NNCc2ccccc2)no1 has a spectral entropy of 2.544 nat.

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The molecule with the InChI representation of InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10) has a spectral entropy of 1.435 nat.

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The molecule with the InChI representation of InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10) has a spectral entropy of 2.431 nat.

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The molecule with the InChI InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10) has a spectral entropy of 1.647 nat.

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The molecule with the InChI representation of InChI=1S/C5H12NO4P/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10) has a spectral entropy of 2.501 nat.

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The molecule with the SMILES CP(=O)(O)CCC(N)C(=O)O has a spectral entropy of 3.402 nat.

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The molecule with the SMILES O=C(OCC(O)CO)c1cc(O)ccc1Nc1ccnc2c(C(F)(F)F)cccc12 has a spectral entropy of 1.293 nat.

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The molecule with the InChI InChI=1S/C20H17F3N2O5/c21-20(22,23)15-3-1-2-13-17(6-7-24-18(13)15)25-16-5-4-11(27)8-14(16)19(29)30-10-12(28)9-26/h1-8,12,26-28H,9-10H2,(H,24,25) has a spectral entropy of 0.609 nat.

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The molecule with the InChI representation of InChI=1S/C20H17F3N2O5/c21-20(22,23)15-3-1-2-13-17(6-7-24-18(13)15)25-16-5-4-11(27)8-14(16)19(29)30-10-12(28)9-26/h1-8,12,26-28H,9-10H2,(H,24,25) has a spectral entropy of 1.269 nat.

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The molecule with the InChI InChI=1S/C20H17F3N2O5/c21-20(22,23)15-3-1-2-13-17(6-7-24-18(13)15)25-16-5-4-11(27)8-14(16)19(29)30-10-12(28)9-26/h1-8,12,26-28H,9-10H2,(H,24,25) has a spectral entropy of 2.263 nat.

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The molecule with the InChI representation of InChI=1S/C20H17F3N2O5/c21-20(22,23)15-3-1-2-13-17(6-7-24-18(13)15)25-16-5-4-11(27)8-14(16)19(29)30-10-12(28)9-26/h1-8,12,26-28H,9-10H2,(H,24,25) has a spectral entropy of 2.174 nat.

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The molecule with the SMILES representation of CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 has a spectral entropy of 0.648 nat.

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The molecule with the InChI representation of InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3 has a spectral entropy of 1.918 nat.

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The molecule with the SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 has a spectral entropy of 2.511 nat.

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The molecule with the InChI representation of InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3 has a spectral entropy of 3.009 nat.

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The molecule with the SMILES CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 has a spectral entropy of 3.096 nat.

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The molecule with the SMILES CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O has a spectral entropy of 0.621 nat.

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The molecule with the SMILES CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O has a spectral entropy of 2.778 nat.

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The molecule with the InChI representation of InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16+,17-,18+,19+,20+/m0/s1 has a spectral entropy of 3.914 nat.

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The molecule with the InChI InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16+,17-,18+,19+,20+/m0/s1 has a spectral entropy of 4.010 nat.

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The molecule with the SMILES representation of c1ccc2c(CC3=NCCN3)cccc2c1 has a spectral entropy of 0.392 nat.

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The molecule with the SMILES c1ccc2c(CC3=NCCN3)cccc2c1 has a spectral entropy of 1.406 nat.

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The molecule with the SMILES c1ccc2c(CC3=NCCN3)cccc2c1 has a spectral entropy of 1.433 nat.

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The molecule with the SMILES c1ccc2c(CC3=NCCN3)cccc2c1 has a spectral entropy of 1.449 nat.

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The molecule with the SMILES N=C(O)c1cccnc1 has a spectral entropy of 0.205 nat.

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The molecule with the SMILES N=C(O)c1cccnc1 has a spectral entropy of 0.487 nat.

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The molecule with the InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) has a spectral entropy of 1.429 nat.

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The molecule with the SMILES N=C(O)c1cccnc1 has a spectral entropy of 1.340 nat.

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The molecule with the InChI representation of InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1 has a spectral entropy of 2.414 nat.

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The molecule with the SMILES representation of CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@@H](C)[C@@H]1O has a spectral entropy of 2.051 nat.

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The molecule with the SMILES CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@@H](C)[C@@H]1O has a spectral entropy of 2.964 nat.

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The molecule with the SMILES CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@@H](C)[C@@H]1O has a spectral entropy of 2.430 nat.

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The molecule with the SMILES CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)[C@@H](OC(C)=O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@@H](C)[C@@H]1O has a spectral entropy of 3.422 nat.

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The molecule with the SMILES representation of COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 has a spectral entropy of 1.623 nat.

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The molecule with the InChI representation of InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) has a spectral entropy of 1.650 nat.

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The molecule with the SMILES COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 has a spectral entropy of 2.242 nat.

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The molecule with the SMILES representation of COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 has a spectral entropy of 2.792 nat.

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The molecule with the InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) has a spectral entropy of 2.805 nat.

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The molecule with the SMILES representation of COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1 has a spectral entropy of 2.919 nat.

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The molecule with the SMILES CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 has a spectral entropy of 0.627 nat.

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The molecule with the InChI InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3 has a spectral entropy of 1.114 nat.

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The molecule with the SMILES CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 has a spectral entropy of 1.138 nat.

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The molecule with the SMILES representation of CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 has a spectral entropy of 2.424 nat.

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The molecule with the SMILES representation of CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 has a spectral entropy of 2.604 nat.

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The molecule with the InChI representation of InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) has a spectral entropy of 0.413 nat.

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The molecule with the InChI InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) has a spectral entropy of 1.127 nat.

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The molecule with the InChI representation of InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) has a spectral entropy of 0.613 nat.

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The molecule with the SMILES representation of O=c1c2c(nc(O)n1C1CCCCC1)CCC2 has a spectral entropy of 0.970 nat.

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The molecule with the InChI InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) has a spectral entropy of 1.983 nat.

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The molecule with the SMILES O=c1c2c(nc(O)n1C1CCCCC1)CCC2 has a spectral entropy of 2.020 nat.

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The molecule with the InChI representation of InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17) has a spectral entropy of 2.513 nat.

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The molecule with the InChI representation of InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+ has a spectral entropy of 1.484 nat.

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The molecule with the InChI InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+ has a spectral entropy of 2.010 nat.

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The molecule with the InChI InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+ has a spectral entropy of 1.686 nat.

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The molecule with the InChI InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+ has a spectral entropy of 0.569 nat.

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The molecule with the SMILES O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1 has a spectral entropy of 0.860 nat.

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The molecule with the InChI representation of InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+ has a spectral entropy of 1.711 nat.

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The molecule with the SMILES representation of COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O has a spectral entropy of 2.609 nat.

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The molecule with the InChI InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1 has a spectral entropy of 2.553 nat.

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The molecule with the SMILES representation of COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O has a spectral entropy of 3.232 nat.

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The molecule with the InChI InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1 has a spectral entropy of 2.688 nat.

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The molecule with the InChI InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1 has a spectral entropy of 2.486 nat.

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The molecule with the InChI representation of InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1 has a spectral entropy of 3.135 nat.

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The molecule with the InChI representation of InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1 has a spectral entropy of 3.660 nat.

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The molecule with the InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3 has a spectral entropy of 0.617 nat.

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The molecule with the SMILES representation of CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1 has a spectral entropy of 2.248 nat.

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The molecule with the InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3 has a spectral entropy of 2.878 nat.

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The molecule with the SMILES representation of CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1 has a spectral entropy of 2.560 nat.

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The molecule with the InChI representation of InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22+,23+,24+,25-,26+,27-,28+,29-/m0/s1 has a spectral entropy of 1.170 nat.

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The molecule with the SMILES C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O has a spectral entropy of 3.136 nat.

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The molecule with the SMILES representation of C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O has a spectral entropy of 3.834 nat.

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The molecule with the InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22+,23+,24+,25-,26+,27-,28+,29-/m0/s1 has a spectral entropy of 4.457 nat.

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The molecule with the SMILES representation of C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O has a spectral entropy of 4.424 nat.

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The molecule with the InChI InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14) has a spectral entropy of 1.607 nat.

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The molecule with the InChI representation of InChI=1S/C8H10N6/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7/h1-4H,9-10H2,(H,11,13)(H,12,14) has a spectral entropy of 1.770 nat.

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The molecule with the SMILES NN=c1[nH][nH]c(=NN)c2ccccc12 has a spectral entropy of 1.638 nat.

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The molecule with the SMILES NN=c1[nH][nH]c(=NN)c2ccccc12 has a spectral entropy of 2.210 nat.

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The molecule with the SMILES representation of NN=c1[nH][nH]c(=NN)c2ccccc12 has a spectral entropy of 2.308 nat.

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The molecule with the SMILES NN=c1[nH][nH]c(=NN)c2ccccc12 has a spectral entropy of 1.719 nat.

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The molecule with the InChI representation of InChI=1S/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8H,1-4H3 has a spectral entropy of 0.822 nat.

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The molecule with the SMILES COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1[N+](=O)[O-] has a spectral entropy of 1.986 nat.

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The molecule with the SMILES COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1[N+](=O)[O-] has a spectral entropy of 2.962 nat.

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The molecule with the SMILES COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1[N+](=O)[O-] has a spectral entropy of 3.378 nat.

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The molecule with the SMILES representation of COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1[N+](=O)[O-] has a spectral entropy of 3.726 nat.

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The molecule with the InChI InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H has a spectral entropy of 0.487 nat.

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The molecule with the SMILES O=C1c2ccccc2C(=O)C1c1ccc(F)cc1 has a spectral entropy of 0.738 nat.

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The molecule with the InChI representation of InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H has a spectral entropy of 1.964 nat.

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The molecule with the SMILES representation of O=C1c2ccccc2C(=O)C1c1ccc(F)cc1 has a spectral entropy of 2.865 nat.

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The molecule with the SMILES representation of CCC(C)n1c(O)nc(C)c(Br)c1=O has a spectral entropy of 1.036 nat.

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The molecule with the SMILES representation of CCC(C)n1c(O)nc(C)c(Br)c1=O has a spectral entropy of 1.703 nat.

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The molecule with the SMILES representation of CCC(C)n1c(O)nc(C)c(Br)c1=O has a spectral entropy of 2.030 nat.

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The molecule with the InChI InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14) has a spectral entropy of 2.826 nat.

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The molecule with the InChI InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2 has a spectral entropy of 1.437 nat.

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The molecule with the InChI representation of InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2 has a spectral entropy of 1.532 nat.

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The molecule with the SMILES O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(Cl)cc1)c1ccc(Cl)s1 has a spectral entropy of 2.394 nat.

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The molecule with the InChI representation of InChI=1S/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2 has a spectral entropy of 2.996 nat.

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The molecule with the SMILES representation of O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(Cl)cc1)c1ccc(Cl)s1 has a spectral entropy of 3.036 nat.

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The molecule with the SMILES representation of CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1 has a spectral entropy of 0.612 nat.

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