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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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387955 134987513 1 IOC8H11 ABC8D11 -9.49 2.97 -9.65 -0.65 0
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387956 134987514 1 NSO2C15H21 ABC2D15E21 -32.45 4.89 -8.58 -0.1 0
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387957 134987522 1 GeOPSC11H23 ABCDE11F23 -130.37 7.18 -8.38 0.2 0
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387958 134987524 1 O3C13H22 A3B13C22 -138.47 2.84 -9.28 -0.08 0
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387959 134987529 1 OC11H16 AB11C16 -31.04 3.0 -9.21 0.39 0
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387960 134987533 1 OC11H20 AB11C20 -82.78 3.46 -9.71 0.84 0
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387961 134987539 1 NOPS2C9H16 ABCD2E9F16 -48.28 2.0 -8.98 -0.63 0
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387962 134987544 1 ClFNH9C11 ABCD9E11 -1.42 2.76 -8.51 -0.58 0
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387963 134987556 1 ClNO4C11H20 ABC4D11E20 -24.91 18.55 -11.26 -2.04 0
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387964 134987562 1 OC14H26 AB14C26 -80.85 1.98 -9.13 1.13 0
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387965 134987563 1 ClNC6H8 ABC6D8 37.44 2.88 -9.92 -0.11 0
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387966 134987569 11 CH2 AB2 -40.19 0.64 -9.13 1.55 0
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387967 134987570 1 NO2C11H15 AB2C11D15 24.72 5.05 -10.11 -0.34 0
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387968 134987571 1 NSC14H21 ABC14D21 14.78 2.71 -8.37 0.5 0
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387969 134987572 1 NSiO2C10H15 ABC2D10E15 4.85 5.53 -10.04 -0.95 0
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387970 134987573 1 SN2C7H16 AB2C7D16 12.29 1.9 -8.04 0.59 0
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387971 134987577 1 N3O4C8H15 A3B4C8D15 -163.33 3.19 -9.4 -0.43 0
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387972 134987579 1 BrC2P2H5O6 AB2C2D5E6 -330.7 2.22 -10.74 -0.9 0
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387973 134987585 2 O2C6H11 A2B6C11 -199.2 4.37 -10.08 0.35 0
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387974 134987602 1 ON5H9C10 AB5C9D10 118.19 7.98 -9.47 -1.74 0
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387975 134987607 1 NO4C10H15 AB4C10D15 -159.73 4.27 -9.77 0.35 0
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387976 134987609 1 ClNC9H12 ABC9D12 31.61 3.07 -9.82 -0.06 0
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387977 134987624 1 PSO3C8H17 ABC3D8E17 -186.16 3.57 -8.62 -0.03 0
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387978 134987627 1 OC14H22 AB14C22 -34.41 2.72 -9.03 0.63 0
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387979 134987630 1 OC11H16 AB11C16 -57.2 3.47 -9.59 0.71 0
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387980 134987636 1 IO4C12H13 AB4C12D13 -132.82 6.16 -9.44 -1.06 0
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387981 134987637 1 ON2C7H12 AB2C7D12 -25.14 5.53 -8.62 0.1 0
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387982 134987640 1 NSSeO3C9H13 ABCD3E9F13 -65.95 4.13 -8.36 -1.01 0
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387983 134987643 1 SeCl2H12C15 AB2C12D15 36.71 2.9 -8.71 -0.47 1
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387984 134987645 1 NOC12H24 ABC12D24 -67.45 1.46 0.0 0.0 0
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387985 134987652 1 NO2C5H9 AB2C5D9 -61.45 1.69 -9.03 -0.46 0
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387986 134987654 2 OC6H13 AB6C13 -149.59 3.26 -10.17 2.3 0
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387987 134987671 1 SiO2C15H30 AB2C15D30 -169.44 3.63 -9.78 0.69 0
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387988 134987681 1 OC12H12 AB12C12 15.55 3.0 -9.61 -0.49 0
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387989 134987695 1 NO2C11H13 AB2C11D13 -43.59 3.9 -9.08 -0.1 0
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387990 134987696 1 O2C11H18 A2B11C18 -101.54 3.37 -9.82 -0.15 0
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387991 134987710 1 N2O3C13H24 A2B3C13D24 -153.94 6.2 -8.95 0.1 0
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387992 134987713 1 ClC2P2H5O6 AB2C2D5E6 -341.33 1.88 -10.68 -0.85 0
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387993 134987728 1 FNC4H4O4 ABC4D4E4 -110.95 3.78 -11.65 -2.22 0
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387994 134987735 2 OC7H11 AB7C11 -85.39 3.47 -9.38 0.4 0
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387995 134987736 2 O2C5H7 A2B5C7 -161.3 2.46 -10.16 0.09 0
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387996 134987739 1 ON2Cl3C7H11 AB2C3D7E11 -47.53 5.46 -9.1 -0.27 0
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387997 134987740 1 NOC10H13 ABC10D13 -9.71 4.96 -10.09 0.28 0
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387998 134987773 1 ClSeC13H17 ABC13D17 2.45 1.23 -8.59 -0.32 0
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387999 134987775 1 H2Cl4N4C7 A2B4C4D7 79.67 2.49 -9.72 -1.75 0
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388000 134987777 1 N2O3C13H14 A2B3C13D14 -62.63 11.07 -8.49 -1.06 0
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388001 134987781 1 ClFN2C6H6 ABC2D6E6 -8.39 1.17 -9.45 -0.76 0
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388002 134987784 1 OSiC8H14 ABC8D14 -58.83 3.81 -9.43 -0.06 0
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388004 134987800 1 BrO2C9H11 AB2C9D11 -31.51 1.98 -9.95 0.24 0
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388005 134987802 2 OC6H9 AB6C9 -52.48 2.17 -9.15 1.15 0