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The formula of the chemical with SMILES Cn1cc(c2c1cc(cc2)F)CCNC(=O)[C@@H]3CCN(C3=O)c4ccc5c(c4)OCCO5 is C18H26N2O3S. | The formula of the chemical with SMILES Cn1cc(c2c1cc(cc2)F)CCNC(=O)[C@@H]3CCN(C3=O)c4ccc5c(c4)OCCO5 is C18H26N2O3S. | [] | null |
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The molecular formula of the molecule with SMILES CC(C)(CC(=O)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)Cn3ccnc3)O is C16H28N3O2+. | The molecular formula of the molecule with SMILES CC(C)(CC(=O)N1C[C@@H]2CN(C[C@@H]2C1)C(=O)Cn3ccnc3)O is C16H28N3O2+. | [] | null |
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The chemical formula of the chemical with SMILES c1c(n(c(=O)[nH]1)CCCNC(=O)CSCc2cscn2)[O-] is C17H8F7N2O2-. | The chemical formula of the chemical with SMILES c1c(n(c(=O)[nH]1)CCCNC(=O)CSCc2cscn2)[O-] is C17H8F7N2O2-. | [] | null |
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The chemical formula of the chemical with SMILES COC(=O)COc1ccc(cc1)C(=O)Oc2cccc(c2)CNC(=O)Nc3ccccc3 is C19H16N6O4. | The chemical formula of the chemical with SMILES COC(=O)COc1ccc(cc1)C(=O)Oc2cccc(c2)CNC(=O)Nc3ccccc3 is C19H16N6O4. | [] | null |
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The chemical formula of the compound with SMILES C[C@H](CCNc1ccccc1SC(C)C)O is C25H33ClN4O3. | The chemical formula of the compound with SMILES C[C@H](CCNc1ccccc1SC(C)C)O is C25H33ClN4O3. | [] | null |
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The molecular formula of the compound with SMILES c1cc([nH]c1)C(=O)N2CCC[C@@H]3[C@@H]2CCN(C3)c4ccc(nn4)C#N is C18H31N2O3+. | The molecular formula of the compound with SMILES c1cc([nH]c1)C(=O)N2CCC[C@@H]3[C@@H]2CCN(C3)c4ccc(nn4)C#N is C18H31N2O3+. | [] | null |
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The formula of the compound with SMILES CC#CCCCc1nc(no1)CC(=O)N2CC[NH+](CC2)C(c3ccccc3)c4ccccc4 is C15H18N4O4. | The formula of the compound with SMILES CC#CCCCc1nc(no1)CC(=O)N2CC[NH+](CC2)C(c3ccccc3)c4ccccc4 is C15H18N4O4. | [] | null |
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The formula of the molecule with SMILES c1cn(cn1)CC(=O)NC2[C@H]3[C@H]2CN(C3)C(=O)[C@@H]4C[C@H]5CC[C@@H]4C=C5 is C23H45N6O+. | The formula of the molecule with SMILES c1cn(cn1)CC(=O)NC2[C@H]3[C@H]2CN(C3)C(=O)[C@@H]4C[C@H]5CC[C@@H]4C=C5 is C23H45N6O+. | [] | null |
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The chemical formula of the chemical with SMILES CCC[NH+]1CC[C@@H](C1)NC(=O)N[C@@H](C(C)C)C(C)(C)O is C24H30N2O3. | The chemical formula of the chemical with SMILES CCC[NH+]1CC[C@@H](C1)NC(=O)N[C@@H](C(C)C)C(C)(C)O is C24H30N2O3. | [] | null |
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The chemical formula of the compound with SMILES c1cc(ncc1F)CC(=O)NCCN(CCC(F)(F)F)C(=O)Cc2ccc(cn2)F is C14H12N4O3S2. | The chemical formula of the compound with SMILES c1cc(ncc1F)CC(=O)NCCN(CCC(F)(F)F)C(=O)Cc2ccc(cn2)F is C14H12N4O3S2. | [] | null |
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The formula of the chemical with SMILES CC1(CCC[C@H](C1)[NH+](C)Cc2cncnc2)C is C18H15N5O3S. | The formula of the chemical with SMILES CC1(CCC[C@H](C1)[NH+](C)Cc2cncnc2)C is C18H15N5O3S. | [] | null |
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The formula of the molecule with SMILES COCCO[C@@H]1C[C@H](CN(C1)C(=O)C(=O)N[C@H]2CCOC2)CO is C26H25NO3. | The formula of the molecule with SMILES COCCO[C@@H]1C[C@H](CN(C1)C(=O)C(=O)N[C@H]2CCOC2)CO is C26H25NO3. | [] | null |
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The chemical formula of the compound with SMILES CC(C)c1nc(co1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)c4ccc(c(c4)F)N5CCCC5)C2 is C15H29N2O2+. | The chemical formula of the compound with SMILES CC(C)c1nc(co1)C(=O)N[C@H]2CCc3c(sc(n3)NC(=O)c4ccc(c(c4)F)N5CCCC5)C2 is C15H29N2O2+. | [] | null |
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The formula of the compound with SMILES C[C@@]1(CCC=CC1)C(=O)N2CCC(CC2)[C@H]3CCCCN3C(=O)[C@H]4CC45CN(C5)C(=O)OC(C)(C)C is C16H13FN4O. | The formula of the compound with SMILES C[C@@]1(CCC=CC1)C(=O)N2CCC(CC2)[C@H]3CCCCN3C(=O)[C@H]4CC45CN(C5)C(=O)OC(C)(C)C is C16H13FN4O. | [] | null |
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The formula of the compound with SMILES CC(C)c1c(cco1)C(=O)NC[C@H](c2cccc(c2)OCc3ccccc3)O is C21H20BrN4+. | The formula of the compound with SMILES CC(C)c1c(cco1)C(=O)NC[C@H](c2cccc(c2)OCc3ccccc3)O is C21H20BrN4+. | [] | null |
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The molecular formula of the molecule with SMILES CC(C)(C)C1=CCN(CC1)S(=O)(=O)c2cccc(c2)C(=O)N(C)C is C18H21N5O3S. | The molecular formula of the molecule with SMILES CC(C)(C)C1=CCN(CC1)S(=O)(=O)c2cccc(c2)C(=O)N(C)C is C18H21N5O3S. | [] | null |
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The chemical formula of the chemical with SMILES c1ccc2c(c1)C[C@H](O2)C(=O)NC3[C@H]4[C@H]3C[NH+](C4)CC5CCC5 is C16H32N2O4S. | The chemical formula of the chemical with SMILES c1ccc2c(c1)C[C@H](O2)C(=O)NC3[C@H]4[C@H]3C[NH+](C4)CC5CCC5 is C16H32N2O4S. | [] | null |
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The formula of the chemical with SMILES C[C@@H]1[C@H](CCN1C(=O)C2(CC2)C[NH+](C)C)NC(=O)[C@@H]3C[C@H]3C4CCOCC4 is C23H25NO4. | The formula of the chemical with SMILES C[C@@H]1[C@H](CCN1C(=O)C2(CC2)C[NH+](C)C)NC(=O)[C@@H]3C[C@H]3C4CCOCC4 is C23H25NO4. | [] | null |
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The chemical formula of the chemical with SMILES CCn1cccc1C(=O)NC[C@@H](C)Nc2cc(nc(n2)C)Cl is C29H45N3O4. | The chemical formula of the chemical with SMILES CCn1cccc1C(=O)NC[C@@H](C)Nc2cc(nc(n2)C)Cl is C29H45N3O4. | [] | null |
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The chemical formula of the molecule with SMILES C[C@H]1[C@@H](C2([C@@H]1OC)CCC2)[NH2+]C3CCN(CC3)OC is C27H31N4O2+. | The chemical formula of the molecule with SMILES C[C@H]1[C@@H](C2([C@@H]1OC)CCC2)[NH2+]C3CCN(CC3)OC is C27H31N4O2+. | [] | null |
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The molecular formula of the chemical with SMILES c1ccc(cc1)NC(=O)C(=O)N2CCN(CC2)C(=O)CC(=O)N is C18H15Cl2N4O2+. | The molecular formula of the chemical with SMILES c1ccc(cc1)NC(=O)C(=O)N2CCN(CC2)C(=O)CC(=O)N is C18H15Cl2N4O2+. | [] | null |
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The chemical formula of the compound with SMILES CC1(C[C@@H](CO1)[NH+]2CCC[C@H](C2)c3ccccn3)C is C24H27N5O2. | The chemical formula of the compound with SMILES CC1(C[C@@H](CO1)[NH+]2CCC[C@H](C2)c3ccccn3)C is C24H27N5O2. | [] | null |
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The formula of the chemical with SMILES CC[C@H](C)c1ccccc1N2C[C@@H](CC2=O)C(=O)NCCc3nc4c(n3C)cccc4F is C19H22N4O2. | The formula of the chemical with SMILES CC[C@H](C)c1ccccc1N2C[C@@H](CC2=O)C(=O)NCCc3nc4c(n3C)cccc4F is C19H22N4O2. | [] | null |
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The formula of the compound with SMILES CC(C)c1cc(n(n1)Cc2ccccc2)NC(=O)N[C@H](c3nc(no3)C4CC4)C(C)C is C21H27N5O4S. | The formula of the compound with SMILES CC(C)c1cc(n(n1)Cc2ccccc2)NC(=O)N[C@H](c3nc(no3)C4CC4)C(C)C is C21H27N5O4S. | [] | null |
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The chemical formula of the chemical with SMILES c1ccc(cc1)COc2ccc(cc2)[C@H]3C[C@H]3C(=O)N[C@H]4Cc5ccccc5OC4 is C12H15N4O3S2-. | The chemical formula of the chemical with SMILES c1ccc(cc1)COc2ccc(cc2)[C@H]3C[C@H]3C(=O)N[C@H]4Cc5ccccc5OC4 is C12H15N4O3S2-. | [] | null |
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The formula of the molecule with SMILES C=CCNC(=O)Nc1ccc(cc1)NC(=O)[C@H]2CCCN(C2)c3c4ccsc4ncn3 is C22H23F4N3O4. | The formula of the molecule with SMILES C=CCNC(=O)Nc1ccc(cc1)NC(=O)[C@H]2CCCN(C2)c3c4ccsc4ncn3 is C22H23F4N3O4. | [] | null |
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The chemical formula of the compound with SMILES c1c([nH]nc1NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@H]4C[C@H]5CC[C@H]4C5 is C13H7Cl2FN2O. | The chemical formula of the compound with SMILES c1c([nH]nc1NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)[C@H]4C[C@H]5CC[C@H]4C5 is C13H7Cl2FN2O. | [] | null |
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The molecular formula of the chemical with SMILES Cn1c2c(ccc(n2)C(=O)NCc3ccc(cc3)c4nnco4)c(=O)n(c1=O)C is C17H21N2O4S-. | The molecular formula of the chemical with SMILES Cn1c2c(ccc(n2)C(=O)NCc3ccc(cc3)c4nnco4)c(=O)n(c1=O)C is C17H21N2O4S-. | [] | null |
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The chemical formula of the compound with SMILES CC(c1sc(cc1)C(=O)N[C@H]2C[C@H](C2)NC(=O)[C@H]3OCCC3)C is C16H24N4O3. | The chemical formula of the compound with SMILES CC(c1sc(cc1)C(=O)N[C@H]2C[C@H](C2)NC(=O)[C@H]3OCCC3)C is C16H24N4O3. | [] | null |
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The chemical formula of the compound with SMILES CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]3CCCNC3=O is C18H21N6O+. | The chemical formula of the compound with SMILES CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]3CCCNC3=O is C18H21N6O+. | [] | null |
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The chemical formula of the compound with SMILES Cn1c(c(n(c1=O)Cc2c(c(cc(c2F)F)F)F)[O-])c3cc(c(c(c3)F)F)F is C21H24ClN7O2. | The chemical formula of the compound with SMILES Cn1c(c(n(c1=O)Cc2c(c(cc(c2F)F)F)F)[O-])c3cc(c(c(c3)F)F)F is C21H24ClN7O2. | [] | null |
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The chemical formula of the chemical with SMILES CC(C)CNC(=O)C(=O)N1CCCC[C@H]1C2CCN(CC2)C(=O)c3c[nH]c4c3cccc4Cl is C23H22N2O3. | The chemical formula of the chemical with SMILES CC(C)CNC(=O)C(=O)N1CCCC[C@H]1C2CCN(CC2)C(=O)c3c[nH]c4c3cccc4Cl is C23H22N2O3. | [] | null |
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The formula of the chemical with SMILES C[C@H](c1nc(no1)Cc2cncs2)Sc3ccc(cc3)N(=O)=O is C18H16Br2N2O4. | The formula of the chemical with SMILES C[C@H](c1nc(no1)Cc2cncs2)Sc3ccc(cc3)N(=O)=O is C18H16Br2N2O4. | [] | null |
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The chemical formula of the chemical with SMILES C1C[C@H]2CO[C@H]([C@H]2C1)C(=O)N3CCC(CC3)(C[NH2+]CC4CC4)O is C16H28N2O3. | The chemical formula of the chemical with SMILES C1C[C@H]2CO[C@H]([C@H]2C1)C(=O)N3CCC(CC3)(C[NH2+]CC4CC4)O is C16H28N2O3. | [] | null |
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The chemical formula of the chemical with SMILES Cn1cnn(c1=O)CCC(=O)N(C)Cc2nnc3n2C[C@H](CC3)C(F)(F)F is C19H20N2O2S. | The chemical formula of the chemical with SMILES Cn1cnn(c1=O)CCC(=O)N(C)Cc2nnc3n2C[C@H](CC3)C(F)(F)F is C19H20N2O2S. | [] | null |
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The molecular formula of the compound with SMILES CCN1CC[NH+](CC1)[C@@H](C)Cn2c(nnc2N3CCO[C@@H](C3)C(C)C)CC(C)(C)C is C18H32N4O2S. | The molecular formula of the compound with SMILES CCN1CC[NH+](CC1)[C@@H](C)Cn2c(nnc2N3CCO[C@@H](C3)C(C)C)CC(C)(C)C is C18H32N4O2S. | [] | null |
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The chemical formula of the compound with SMILES C[NH+](CCCO)C1CCN(CC1)C(=O)NC[C@@H]2CCN(C2)c3cccc(c3)Br is C17H23N3O4S. | The chemical formula of the compound with SMILES C[NH+](CCCO)C1CCN(CC1)C(=O)NC[C@@H]2CCN(C2)c3cccc(c3)Br is C17H23N3O4S. | [] | null |
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The chemical formula of the chemical with SMILES C[C@@H]1CN(C[C@H]1C[NH2+]Cc2nnnn2C3CC3)C(=O)CC(F)(F)F is C18H25FN3O3+. | The chemical formula of the chemical with SMILES C[C@@H]1CN(C[C@H]1C[NH2+]Cc2nnnn2C3CC3)C(=O)CC(F)(F)F is C18H25FN3O3+. | [] | null |
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The formula of the compound with SMILES Cc1cc(c(nc1)N2CCC(CC2)C[C@H]3Cc4cc(c(cc4C3=O)OC)OC)C is C15H20ClN5O. | The formula of the compound with SMILES Cc1cc(c(nc1)N2CCC(CC2)C[C@H]3Cc4cc(c(cc4C3=O)OC)OC)C is C15H20ClN5O. | [] | null |
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The chemical formula of the molecule with SMILES C=CCCSCCNC(=O)c1cnn2c1N[C@H](C[C@H]2C(F)F)C3CC3 is C15H25N2O3S2+. | The chemical formula of the molecule with SMILES C=CCCSCCNC(=O)c1cnn2c1N[C@H](C[C@H]2C(F)F)C3CC3 is C15H25N2O3S2+. | [] | null |
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The formula of the compound with SMILES c1cc(c(c(c1)F)CS(=O)(=O)Nc2cn(cn2)CCF)F is C17H28N3OS+. | The formula of the compound with SMILES c1cc(c(c(c1)F)CS(=O)(=O)Nc2cn(cn2)CCF)F is C17H28N3OS+. | [] | null |
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The formula of the compound with SMILES CCN(C)C(=O)c1cccc(c1)C(=O)N[C@@H](C)c2nc(c(s2)C)c3ccc(cc3)Cl is C17H24N2O3S. | The formula of the compound with SMILES CCN(C)C(=O)c1cccc(c1)C(=O)N[C@@H](C)c2nc(c(s2)C)c3ccc(cc3)Cl is C17H24N2O3S. | [] | null |
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The molecular formula of the molecule with SMILES Cc1cccc(c1)C(=O)N2CCC[C@@H]2C(=O)NC[C@@H]3Cc4ccccc4OC3 is C19H26N6O2. | The molecular formula of the molecule with SMILES Cc1cccc(c1)C(=O)N2CCC[C@@H]2C(=O)NC[C@@H]3Cc4ccccc4OC3 is C19H26N6O2. | [] | null |
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The chemical formula of the molecule with SMILES Cc1[nH]nc(n1)COC(=O)c2c(c3ccccc3o2)CSc4ncccn4 is C25H36N4O4. | The chemical formula of the molecule with SMILES Cc1[nH]nc(n1)COC(=O)c2c(c3ccccc3o2)CSc4ncccn4 is C25H36N4O4. | [] | null |
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The chemical formula of the compound with SMILES c1cc(c(c(c1)Cl)Cl)[C@H](CO)[NH2+]Cc2nnc(o2)c3ccc(cc3)C#N is C23H26N2O3. | The chemical formula of the compound with SMILES c1cc(c(c(c1)Cl)Cl)[C@H](CO)[NH2+]Cc2nnc(o2)c3ccc(cc3)C#N is C23H26N2O3. | [] | null |
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The molecular formula of the molecule with SMILES c1c(nnn1CCC[NH3+])c2csc(n2)C3CCCCC3 is C26H25N3O4S. | The molecular formula of the molecule with SMILES c1c(nnn1CCC[NH3+])c2csc(n2)C3CCCCC3 is C26H25N3O4S. | [] | null |
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The molecular formula of the molecule with SMILES C[NH+](Cc1cc(=O)[nH]c(n1)c2ccccc2)Cc3nnc4n3CCNC4=O is C15H22O4S. | The molecular formula of the molecule with SMILES C[NH+](Cc1cc(=O)[nH]c(n1)c2ccccc2)Cc3nnc4n3CCNC4=O is C15H22O4S. | [] | null |
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The chemical formula of the chemical with SMILES c1cncc2c1[nH]c(c2)C(=O)N[C@H]3CCCN(C3)C(=O)/C=C/C4CC4 is C13H20N2O2. | The chemical formula of the chemical with SMILES c1cncc2c1[nH]c(c2)C(=O)N[C@H]3CCCN(C3)C(=O)/C=C/C4CC4 is C13H20N2O2. | [] | null |
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The chemical formula of the chemical with SMILES C#C[C@H]([C@@H]1CCCO1)[NH2+]CC(=O)N2CCN(CC2)c3cnccn3 is C17H24N3+. | The chemical formula of the chemical with SMILES C#C[C@H]([C@@H]1CCCO1)[NH2+]CC(=O)N2CCN(CC2)c3cnccn3 is C17H24N3+. | [] | null |
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The chemical formula of the molecule with SMILES c1ccc(cc1)[C@@H](C(=O)Nc2ccc(cc2)c3[nH]ncn3)F is C27H35N4O5+. | The chemical formula of the molecule with SMILES c1ccc(cc1)[C@@H](C(=O)Nc2ccc(cc2)c3[nH]ncn3)F is C27H35N4O5+. | [] | null |
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The molecular formula of the molecule with SMILES C[C@@H](C(=C(C)C)C)C(C)(C)OC is C25H29FN4O2. | The molecular formula of the molecule with SMILES C[C@@H](C(=C(C)C)C)C(C)(C)OC is C25H29FN4O2. | [] | null |
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The formula of the molecule with SMILES c1ccc2c(c1)ccc(n2)N(CC[NH3+])Cc3ccc(c4c3nccc4)Br is C12H11BrClN3O3S2. | The formula of the molecule with SMILES c1ccc2c(c1)ccc(n2)N(CC[NH3+])Cc3ccc(c4c3nccc4)Br is C12H11BrClN3O3S2. | [] | null |
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The molecular formula of the compound with SMILES CC(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c3ccncn3 is C15H18F3N3O3. | The molecular formula of the compound with SMILES CC(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)c3ccncn3 is C15H18F3N3O3. | [] | null |
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The chemical formula of the molecule with SMILES Cc1csc(n1)N(C2CC2)C(=O)Cn3c(nnn3)c4ccsc4 is C16H21N2O2+. | The chemical formula of the molecule with SMILES Cc1csc(n1)N(C2CC2)C(=O)Cn3c(nnn3)c4ccsc4 is C16H21N2O2+. | [] | null |
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The chemical formula of the molecule with SMILES CC1(CCC(CC1)CC(=O)N2CC[C@@]3(C2)CN(CCO3)C(=O)c4cc5c(nc4)SCC(=O)N5)C is C21H26N4O2. | The chemical formula of the molecule with SMILES CC1(CCC(CC1)CC(=O)N2CC[C@@]3(C2)CN(CCO3)C(=O)c4cc5c(nc4)SCC(=O)N5)C is C21H26N4O2. | [] | null |
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The formula of the compound with SMILES c1cc(c2nnc(n2c1)C(=O)N3CCCn4c(c(nn4)COCC(=O)N5CCCC5)C3)F is C18H20N6O. | The formula of the compound with SMILES c1cc(c2nnc(n2c1)C(=O)N3CCCn4c(c(nn4)COCC(=O)N5CCCC5)C3)F is C18H20N6O. | [] | null |
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The formula of the compound with SMILES CCC(CC)C(=O)N(C)C[C@@H](C)NC(=O)CS(=O)(=O)C(C)(C)C is C15H20ClF2N3O2. | The formula of the compound with SMILES CCC(CC)C(=O)N(C)C[C@@H](C)NC(=O)CS(=O)(=O)C(C)(C)C is C15H20ClF2N3O2. | [] | null |
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The chemical formula of the molecule with SMILES c1cc(cc(c1)n2cncn2)C(=O)NC[C@@]34CCCO[C@@H]3CCN(C4)C(=O)c5c(ncs5)C6CC6 is C18H37N3O3+2. | The chemical formula of the molecule with SMILES c1cc(cc(c1)n2cncn2)C(=O)NC[C@@]34CCCO[C@@H]3CCN(C4)C(=O)c5c(ncs5)C6CC6 is C18H37N3O3+2. | [] | null |
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The chemical formula of the chemical with SMILES CCC(CC)C(=O)NC1(CCN(CC1)C(=O)[C@H]2C[C@@H]2C(F)F)CO is C25H23F3N4O3. | The chemical formula of the chemical with SMILES CCC(CC)C(=O)NC1(CCN(CC1)C(=O)[C@H]2C[C@@H]2C(F)F)CO is C25H23F3N4O3. | [] | null |
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The formula of the molecule with SMILES CC(C)Oc1ccc(cc1)c2nc(cs2)C(=O)N3C[C@@H]([C@H](C3)SC)[NH+]4CCCC4 is C17H25N3O4. | The formula of the molecule with SMILES CC(C)Oc1ccc(cc1)c2nc(cs2)C(=O)N3C[C@@H]([C@H](C3)SC)[NH+]4CCCC4 is C17H25N3O4. | [] | null |
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The formula of the compound with SMILES CC/C=C(\C)/C(=O)NC1[C@H]2[C@@H]1C[NH+](C2)Cc3[nH]c(=O)[nH]n3 is C14H25NO6S. | The formula of the compound with SMILES CC/C=C(\C)/C(=O)NC1[C@H]2[C@@H]1C[NH+](C2)Cc3[nH]c(=O)[nH]n3 is C14H25NO6S. | [] | null |
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The formula of the chemical with SMILES C=CCOCCCC(=O)N1CCO[C@@]2(C1)CCN(C2)C(=O)c3c[nH]c4c3cc(cn4)C(F)(F)F is C19H25N2O2+. | The formula of the chemical with SMILES C=CCOCCCC(=O)N1CCO[C@@]2(C1)CCN(C2)C(=O)c3c[nH]c4c3cc(cn4)C(F)(F)F is C19H25N2O2+. | [] | null |
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The formula of the molecule with SMILES CCN(C1CN(C1)C(=O)C[C@@H]2C[C@H]2Cc3ccccc3)C(=O)c4c[nH]nc4 is C19H20N3O5-. | The formula of the molecule with SMILES CCN(C1CN(C1)C(=O)C[C@@H]2C[C@H]2Cc3ccccc3)C(=O)c4c[nH]nc4 is C19H20N3O5-. | [] | null |
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The formula of the molecule with SMILES c1c(nc(s1)N2CC[C@@H]3CN(C[C@@H]3C2)C(=O)C4CC4)C(F)(F)F is C19H35N4O3+. | The formula of the molecule with SMILES c1c(nc(s1)N2CC[C@@H]3CN(C[C@@H]3C2)C(=O)C4CC4)C(F)(F)F is C19H35N4O3+. | [] | null |
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The molecular formula of the molecule with SMILES C[C@H](C(F)(F)F)Oc1ccccc1NC(=O)C[C@@H]2CSc3ccccc3O2 is C25H27N3O3. | The molecular formula of the molecule with SMILES C[C@H](C(F)(F)F)Oc1ccccc1NC(=O)C[C@@H]2CSc3ccccc3O2 is C25H27N3O3. | [] | null |
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The chemical formula of the compound with SMILES CCc1c(cnn1C)C(=O)N[C@@H](C)CCNC(=O)[C@@]2(CCOC2)C is C18H20N7O2+. | The chemical formula of the compound with SMILES CCc1c(cnn1C)C(=O)N[C@@H](C)CCNC(=O)[C@@]2(CCOC2)C is C18H20N7O2+. | [] | null |
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The chemical formula of the molecule with SMILES c1c2cc(c(=O)oc2c(cc1Br)Br)C(=O)N3CC(=O)NC4(C3)CCCC4 is C19H19F5N4O2. | The chemical formula of the molecule with SMILES c1c2cc(c(=O)oc2c(cc1Br)Br)C(=O)N3CC(=O)NC4(C3)CCCC4 is C19H19F5N4O2. | [] | null |
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The chemical formula of the chemical with SMILES c1cc(ncc1C(=O)N2CCCC2)S(=O)CCCOCC(F)(F)F is C26H25N5O3S. | The chemical formula of the chemical with SMILES c1cc(ncc1C(=O)N2CCCC2)S(=O)CCCOCC(F)(F)F is C26H25N5O3S. | [] | null |
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The chemical formula of the molecule with SMILES c1cc(cc(c1)Cl)c2cc(on2)C(=O)NCCc3cnc(nc3)SC4CCCC4 is C17H25FN4O2. | The chemical formula of the molecule with SMILES c1cc(cc(c1)Cl)c2cc(on2)C(=O)NCCc3cnc(nc3)SC4CCCC4 is C17H25FN4O2. | [] | null |
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The formula of the compound with SMILES C[C@H]1CCN(CCS1=O)C(=O)NCc2ccc(cc2)N3CCOC3=O is C18H17FN4O2S. | The formula of the compound with SMILES C[C@H]1CCN(CCS1=O)C(=O)NCc2ccc(cc2)N3CCOC3=O is C18H17FN4O2S. | [] | null |
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The molecular formula of the chemical with SMILES C[C@@H](Cc1ccccn1)C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c4cccc5n4ccn5 is C17H28F2N2O3. | The molecular formula of the chemical with SMILES C[C@@H](Cc1ccccn1)C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c4cccc5n4ccn5 is C17H28F2N2O3. | [] | null |
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The chemical formula of the compound with SMILES CCOC(=O)N[C@@H](CC(C)C)Cn1c(nnc1N2CCC[C@H](C2)CC(=O)N)c3ccccc3C is C22H27N3O2. | The chemical formula of the compound with SMILES CCOC(=O)N[C@@H](CC(C)C)Cn1c(nnc1N2CCC[C@H](C2)CC(=O)N)c3ccccc3C is C22H27N3O2. | [] | null |
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The molecular formula of the compound with SMILES CO[C@H](c1ccccc1)C(=O)N2CCO[C@@]3(C2)CN(CCOC3)C(=O)c4cc(cc[nH+]4)N5CCCC5 is C15H14ClN3O4. | The molecular formula of the compound with SMILES CO[C@H](c1ccccc1)C(=O)N2CCO[C@@]3(C2)CN(CCOC3)C(=O)c4cc(cc[nH+]4)N5CCCC5 is C15H14ClN3O4. | [] | null |
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The chemical formula of the molecule with SMILES c1c(cc(c(c1Cl)c2cc(c(nc2)F)C#N)Cl)CO is C15H26N2O6. | The chemical formula of the molecule with SMILES c1c(cc(c(c1Cl)c2cc(c(nc2)F)C#N)Cl)CO is C15H26N2O6. | [] | null |
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The molecular formula of the chemical with SMILES C[NH+](CCN(C)C(=O)CCn1cccn1)Cc2ccccc2C3CC3 is C18H34N3O3+. | The molecular formula of the chemical with SMILES C[NH+](CCN(C)C(=O)CCn1cccn1)Cc2ccccc2C3CC3 is C18H34N3O3+. | [] | null |
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The formula of the compound with SMILES CCOC(=O)c1cc(nc(n1)C)N2CCC(CC2)(C(=O)OCC)S(=O)C is C26H37N3O6. | The formula of the compound with SMILES CCOC(=O)c1cc(nc(n1)C)N2CCC(CC2)(C(=O)OCC)S(=O)C is C26H37N3O6. | [] | null |
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The chemical formula of the molecule with SMILES COc1cc(c(cc1NC(=O)C(=O)N(C[C@@H]2C[C@H]3CC[C@H]2C3)OC)F)OC is C19H18F3NO3S. | The chemical formula of the molecule with SMILES COc1cc(c(cc1NC(=O)C(=O)N(C[C@@H]2C[C@H]3CC[C@H]2C3)OC)F)OC is C19H18F3NO3S. | [] | null |
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The molecular formula of the compound with SMILES c1c(cc(c(c1C#N)Oc2c3c(ncn2)CCCC3)Cl)F is C17H22N5O2S+. | The molecular formula of the compound with SMILES c1c(cc(c(c1C#N)Oc2c3c(ncn2)CCCC3)Cl)F is C17H22N5O2S+. | [] | null |
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The chemical formula of the chemical with SMILES COC(=O)c1ccnc(n1)N2CCn3c(nnc3C[NH+]4CCOCC4)C2 is C16H23N6O3+. | The chemical formula of the chemical with SMILES COC(=O)c1ccnc(n1)N2CCn3c(nnc3C[NH+]4CCOCC4)C2 is C16H23N6O3+. | [] | null |
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The chemical formula of the chemical with SMILES CCC[C@H](C(C)C)C(=O)NC[C@@H](CC)Nc1nccc(n1)C is C15H32N3O2+. | The chemical formula of the chemical with SMILES CCC[C@H](C(C)C)C(=O)NC[C@@H](CC)Nc1nccc(n1)C is C15H32N3O2+. | [] | null |
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The molecular formula of the chemical with SMILES C[C@@]12C[NH+](C[C@@H]1CN(C2)C(=O)c3cc(cs3)Cl)CC(=O)NC(=O)N is C17H32N4O3. | The molecular formula of the chemical with SMILES C[C@@]12C[NH+](C[C@@H]1CN(C2)C(=O)c3cc(cs3)Cl)CC(=O)NC(=O)N is C17H32N4O3. | [] | null |
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The chemical formula of the molecule with SMILES Cn1c2c(nn1)CC[C@H](C2)C(=O)N3CCc4cnc(nc4C3)N is C19H37N2O2+. | The chemical formula of the molecule with SMILES Cn1c2c(nn1)CC[C@H](C2)C(=O)N3CCc4cnc(nc4C3)N is C19H37N2O2+. | [] | null |
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The chemical formula of the molecule with SMILES c1ccc(c(c1)CNc2c3c4ccccc4[nH]c3ncn2)C[NH+]5CC[C@@H](C5)O is C14H14N6OS2. | The chemical formula of the molecule with SMILES c1ccc(c(c1)CNc2c3c4ccccc4[nH]c3ncn2)C[NH+]5CC[C@@H](C5)O is C14H14N6OS2. | [] | null |
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The formula of the molecule with SMILES CC(C)(C)S(=O)(=O)CC(=O)N[C@H](C1CCOCC1)C(=O)OC is C11H16N4O2S. | The formula of the molecule with SMILES CC(C)(C)S(=O)(=O)CC(=O)N[C@H](C1CCOCC1)C(=O)OC is C11H16N4O2S. | [] | null |
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The chemical formula of the compound with SMILES c1ccc2c(c1)C(=O)Nc3cc(ccc3S2)C(=O)N[C@H]4C[C@H]5CC[C@@H](C4)N5C(=O)C6CC(=O)C6 is C14H22N5O2+. | The chemical formula of the compound with SMILES c1ccc2c(c1)C(=O)Nc3cc(ccc3S2)C(=O)N[C@H]4C[C@H]5CC[C@@H](C4)N5C(=O)C6CC(=O)C6 is C14H22N5O2+. | [] | null |
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The chemical formula of the chemical with SMILES c1cc(cc(c1)S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])N is C20H21FN4O4. | The chemical formula of the chemical with SMILES c1cc(cc(c1)S(=O)(=O)N2CCC[C@H]2CC(=O)[O-])N is C20H21FN4O4. | [] | null |
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The molecular formula of the molecule with SMILES Cc1c2c(cc(nc2n(n1)[C@H]3CCS(=O)(=O)C3)C4CC4)C(=O)N(C)CC(=O)NC5CC5 is C17H24F2N4OS. | The molecular formula of the molecule with SMILES Cc1c2c(cc(nc2n(n1)[C@H]3CCS(=O)(=O)C3)C4CC4)C(=O)N(C)CC(=O)NC5CC5 is C17H24F2N4OS. | [] | null |
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The chemical formula of the molecule with SMILES CNC(=O)CO[C@H]1CC2(CCN(CC2)C(=O)c3cc(c4cc(ccc4n3)F)C(F)(F)F)OC1 is C18H20N2O3S2. | The chemical formula of the molecule with SMILES CNC(=O)CO[C@H]1CC2(CCN(CC2)C(=O)c3cc(c4cc(ccc4n3)F)C(F)(F)F)OC1 is C18H20N2O3S2. | [] | null |
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The chemical formula of the chemical with SMILES C[C@@H]1C[NH+](C[C@H]1NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C/C(=C/Cl)/Cl is C17H24N5O2+. | The chemical formula of the chemical with SMILES C[C@@H]1C[NH+](C[C@H]1NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C/C(=C/Cl)/Cl is C17H24N5O2+. | [] | null |
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The formula of the compound with SMILES c1ccc2c(c1)cc([nH]2)[C@@H]3CCCCN3S(=O)(=O)CCCC(=O)[O-] is C14H22N5S+. | The formula of the compound with SMILES c1ccc2c(c1)cc([nH]2)[C@@H]3CCCCN3S(=O)(=O)CCCC(=O)[O-] is C14H22N5S+. | [] | null |
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The formula of the chemical with SMILES c1ccc(cc1)C#CC[NH+]2C[C@@H]3CC[C@@H]2CN3C(=O)Cn4cnnn4 is C17H20N2O3. | The formula of the chemical with SMILES c1ccc(cc1)C#CC[NH+]2C[C@@H]3CC[C@@H]2CN3C(=O)Cn4cnnn4 is C17H20N2O3. | [] | null |
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The chemical formula of the chemical with SMILES c1ccn2c(c1)nc(n2)C(=O)N3CCCC4(C3)CCN(CC4)C(=O)Cn5cc(cn5)Cl is C15H19N5O4. | The chemical formula of the chemical with SMILES c1ccn2c(c1)nc(n2)C(=O)N3CCCC4(C3)CCN(CC4)C(=O)Cn5cc(cn5)Cl is C15H19N5O4. | [] | null |
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The chemical formula of the compound with SMILES CN(CCc1cccc2c1cccc2)C(=O)c3ccc4c(c3)C(=O)NCCO4 is C17H25N3O5S. | The chemical formula of the compound with SMILES CN(CCc1cccc2c1cccc2)C(=O)c3ccc4c(c3)C(=O)NCCO4 is C17H25N3O5S. | [] | null |
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The molecular formula of the compound with SMILES CCC/C=C/C(=O)N[C@@H](C)C1CCN(CC1)C(=O)OCC is C24H24N2O4. | The molecular formula of the compound with SMILES CCC/C=C/C(=O)N[C@@H](C)C1CCN(CC1)C(=O)OCC is C24H24N2O4. | [] | null |
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The chemical formula of the compound with SMILES c1cc(sc1)C(=O)Nc2ccc(cc2)NC(=O)C[C@@H]3CC[C@H]4[C@H]3C4 is C18H27N4OS+. | The chemical formula of the compound with SMILES c1cc(sc1)C(=O)Nc2ccc(cc2)NC(=O)C[C@@H]3CC[C@H]4[C@H]3C4 is C18H27N4OS+. | [] | null |
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The molecular formula of the chemical with SMILES CCOCc1nnc(n1CC2(CCCCC2)O)N3CCSC(C3)(C)C is C17H30N4O. | The molecular formula of the chemical with SMILES CCOCc1nnc(n1CC2(CCCCC2)O)N3CCSC(C3)(C)C is C17H30N4O. | [] | null |
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The formula of the chemical with SMILES C[C@@H](c1ccc(c(c1)F)OCC2CC2)[NH2+][C@H](C)c3nc(no3)COC is C24H24FN3O4. | The formula of the chemical with SMILES C[C@@H](c1ccc(c(c1)F)OCC2CC2)[NH2+][C@H](C)c3nc(no3)COC is C24H24FN3O4. | [] | null |
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The molecular formula of the chemical with SMILES Cc1c(ccs1)C(=O)N(C)C[C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2 is C18H17N3O3S. | The molecular formula of the chemical with SMILES Cc1c(ccs1)C(=O)N(C)C[C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2 is C18H17N3O3S. | [] | null |
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The formula of the chemical with SMILES CCC(CC)C[NH+]1CC[C@@]2(C1)CCN(C2)C(=O)c3ccns3 is C25H28ClN5O2S. | The formula of the chemical with SMILES CCC(CC)C[NH+]1CC[C@@]2(C1)CCN(C2)C(=O)c3ccns3 is C25H28ClN5O2S. | [] | null |
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The chemical formula of the chemical with SMILES CCn1c(c(cn1)C(=O)NC[C@@H]2CN(C[C@H]2C)C(=O)c3cc(nnc3)C)C is C21H36N3O3+. | The chemical formula of the chemical with SMILES CCn1c(c(cn1)C(=O)NC[C@@H]2CN(C[C@H]2C)C(=O)c3cc(nnc3)C)C is C21H36N3O3+. | [] | null |
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