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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403566 135060873 2 NC10H11 AB10C11 89.23 4.75 -8.24 -0.39 0
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403567 135060883 3 OSiC4H10 ABC4D10 -346.25 1.8 -9.5 0.87 0
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403568 135060891 1 BNSO3C17H34 ABCD3E17F34 -245.53 5.39 -8.15 0.8 0
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403569 135060893 1 NC23H27 AB23C27 45.99 2.52 -8.24 0.05 0
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403570 135060896 1 NS2O3C18H29 AB2C3D18E29 -102.56 6.9 -8.53 -0.23 0
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403571 135060897 1 BFSiO2C22H30 ABCD2E22F30 -218.13 3.85 -9.15 0.28 0
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403572 135060898 1 BSSiO2C20H29 ABCD2E20F29 -162.06 3.08 -8.54 0.26 0
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403573 135060899 1 N2C15H24 A2B15C24 25.71 2.81 -8.83 0.11 0
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403574 135060900 1 NO6C38H43 AB6C38D43 -119.78 5.76 -9.11 -1.87 0
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403575 135060901 4 H4C5 A4B5 69.48 0.63 -8.52 -0.45 0
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403576 135060902 1 FH17C25 AB17C25 55.72 2.42 -8.81 -0.74 0
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403577 135060903 2 H10C13 A10B13 93.83 0.38 -8.51 -0.44 0
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403578 135060905 2 O2C15H18 A2B15C18 -139.14 1.48 -8.76 0.0 0
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403579 135060906 2 O2H18C19 A2B18C19 -64.04 1.49 -8.77 -0.63 0
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403580 135060907 1 BrO4H31C32 AB4C31D32 -85.6 3.02 -8.92 -0.7 0
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403581 135060908 1 NO6H27C30 AB6C27D30 -83.26 4.13 -9.13 -1.92 0
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403582 135060909 1 NO6H31C32 AB6C31D32 -92.05 5.19 -9.12 -1.88 0
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403583 135060911 1 NO6C36H39 AB6C36D39 -103.86 6.17 -8.98 -1.8 0
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403584 135060912 1 NO6H31C34 AB6C31D34 -33.63 5.75 -9.05 -1.86 0
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403585 135060913 1 NO6C40H43 AB6C40D43 -112.8 4.33 -9.14 -1.91 0
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403586 135060915 1 O5C33H34 A5B33C34 -131.76 1.11 -8.7 -0.56 0
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403587 135060916 1 ClO4H31C32 AB4C31D32 -95.76 2.3 -8.88 -0.72 0
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403588 135060918 1 FO4H31C32 AB4C31D32 -137.22 3.64 -8.94 -0.76 0
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403589 135060919 2 O2H18C19 A2B18C19 -64.43 2.13 -8.7 -0.69 0
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403590 135060920 1 O4C33H34 A4B33C34 -96.68 1.42 -8.84 -0.64 0
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403591 135060921 1 OC20H30 AB20C30 -60.11 1.88 -8.42 0.49 0
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403592 135060922 1 OC20H30 AB20C30 -58.67 1.7 -8.42 0.48 0
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403593 135060923 1 N2H16C19 A2B16C19 122.67 2.4 -8.98 -0.45 0
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403594 135060924 1 N2H16C19 A2B16C19 122.1 2.13 -8.82 -0.61 0
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403596 135060927 1 O2C21H34 A2B21C34 -140.05 1.91 -9.11 0.34 0
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403597 135060929 1 NOC15H27 ABC15D27 -85.85 3.65 -9.48 0.28 0
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403598 135060930 1 SO4C30H30 AB4C30D30 -82.6 3.66 -8.71 -0.78 0
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403599 135060932 1 NSO2C25H31 ABC2D25E31 -52.56 4.19 -9.51 -0.3 0
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403600 135060933 1 ClNSO2C25H30 ABCD2E25F30 -62.84 3.74 -9.45 -0.36 0
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403601 135060934 1 NSO3C26H33 ABC3D26E33 -93.27 5.44 -8.83 -0.27 0
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403602 135060935 1 NSO2C25H37 ABC2D25E37 -94.38 4.28 -9.32 -0.22 0
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403603 135060936 1 NSO2C28H29 ABC2D28E29 -11.55 3.91 -9.22 -0.34 0
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403604 135060938 1 NSO3C32H37 ABC3D32E37 -61.41 4.47 -9.25 -0.35 0
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403605 135060939 1 NSO2C24H29 ABC2D24E29 -49.8 4.37 -9.56 -0.29 0
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403606 135060940 1 NSiC18H25 ABC18D25 0.18 1.66 -9.12 0.08 0
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403607 135060941 2 OC9H11 AB9C11 -58.87 2.36 -9.1 -0.36 0
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403608 135060942 1 NS2O4H31C33 AB2C4D31E33 -50.61 9.91 -9.08 -0.84 0
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403609 135060944 1 NO2H17C19 AB2C17D19 -23.6 2.02 -8.97 -0.54 0
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403610 135060947 1 N2C11H16 A2B11C16 52.44 1.95 -8.66 -0.39 0
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403611 135060950 1 BSiO4C22H35 ABC4D22E35 -277.85 4.48 -9.12 0.44 0
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403612 135060951 1 NO4C18H19 AB4C18D19 -122.48 2.69 -8.9 -0.46 0
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403613 135060952 1 NO5C19H21 AB5C19D21 -160.95 7.68 -8.56 -0.5 0
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403614 135060959 1 SiF3C18H19 AB3C18D19 -143.76 4.81 -9.45 -0.32 0
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403615 135061015 1 O5C38H40 A5B38C40 -75.35 3.38 -9.01 -0.19 0
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403616 135061020 1 MnN7C96H104 AB7C96D104 607.33 1.61 -5.84 -3.34 0
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403617 135061042 1 O8C17H24 A8B17C24 -312.07 0.93 -9.74 0.06 0
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403618 135061048 1 S2O3C21H28 A2B3C21D28 -74.41 4.1 -8.3 -0.16 0
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403619 135061064 1 N2O2H12C17 A2B2C12D17 5.66 7.33 -8.96 -1.88 0
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403620 135061067 1 N3C23H23 A3B23C23 85.26 6.38 -8.58 -0.35 0
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403621 135061068 1 SN2C22H22 AB2C22D22 82.35 4.24 -8.5 -0.52 0
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403622 135061069 1 N2C17H18 A2B17C18 49.48 4.35 -8.54 -0.47 0
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403623 135061070 1 NSO5H27C31 ABC5D27E31 -96.0 7.87 -8.88 -0.48 0
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403624 135061071 1 NSO5H31C35 ABC5D31E35 -74.04 7.91 -9.13 -0.5 0
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403625 135061072 1 NO2C19H19 AB2C19D19 -17.34 3.83 -8.74 -0.13 0
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403626 135061073 1 N2C27H28 A2B27C28 68.93 3.89 -7.83 0.0 0
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403627 135061074 1 N2O2C27H28 A2B2C27D28 4.63 4.81 -7.81 -0.16 0
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403628 135061075 1 OF3H19C23 AB3C19D23 -123.28 3.27 -9.28 -0.65 0
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403629 135061076 1 O3C15H20 A3B15C20 -105.16 2.65 -9.68 -0.62 0
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403630 135061078 2 OC8H12 AB8C12 -70.17 0.77 -9.32 0.37 0
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403631 135061079 1 BrOH13C16 ABC13D16 26.36 2.51 -9.08 -0.96 0
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403632 135061080 1 SO3C19H24 AB3C19D24 -90.42 6.81 -9.26 -0.57 0
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403633 135061081 1 BO4C14H27 AB4C14D27 -300.82 3.78 -10.21 1.14 0
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403634 135061082 1 BO4C15H29 AB4C15D29 -303.98 4.1 -10.26 1.08 0
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403635 135061083 2 BO2H9C12 AB2C9D12 -177.23 1.54 -8.69 -0.38 0
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403636 135061084 2 BO2H9C12 AB2C9D12 -179.08 1.32 -8.77 -0.4 -1
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403637 135061085 1 BO4C21H22 AB4C21D22 -155.94 8.34 0.0 0.0 0
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403638 135061086 1 BO2F3C21H24 AB2C3D21E24 -298.91 3.38 -9.37 -0.38 0
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403639 135061087 1 NH23C24 AB23C24 54.44 2.94 -8.18 -0.12 0
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403640 135061088 1 BO4C23H33 AB4C23D33 -256.89 5.49 -9.3 -0.41 0
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403641 135061089 1 SiO4C26H44 AB4C26D44 -256.6 4.11 -8.83 0.43 0
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403642 135061090 1 O3C13H22 A3B13C22 -179.23 4.87 -10.13 0.69 0
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403643 135061092 1 SSiO3C24H38 ABC3D24E38 -123.23 5.68 -8.92 -0.63 0
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403644 135061132 1 FNO2S2H28C29 ABC2D2E28F29 -16.89 3.44 -8.12 -0.27 1
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403645 135061142 1 NOPdF2P2C24H38 ABCD2E2F24G38 -99.63 6.9 0.0 0.0 0
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403646 135061144 1 SeSiN2O5C28H34 ABC2D5E28F34 -213.05 5.5 -8.82 -0.73 0
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403647 135061171 1 FON3H14C16 ABC3D14E16 -21.31 4.44 -8.61 -0.77 0
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403649 135061208 3 NC5H9 AB5C9 65.62 1.42 -8.49 0.41 0
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403650 135061209 2 OC10H13 AB10C13 -50.03 3.03 -8.98 -0.08 0
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403651 135061210 2 N2O3C18H24 A2B3C18D24 -209.11 3.01 -9.75 -0.27 0
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403652 135061212 1 C17H22 A17B22 52.85 0.6 -9.3 0.43 0
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403653 135061213 1 OSiC24H38 ABC24D38 -65.1 1.72 -8.67 0.38 0
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403654 135061214 2 F3C8H9 A3B8C9 -336.39 4.26 -10.38 -1.1 0
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403655 135061215 2 OC5H6 AB5C6 -38.39 4.95 -9.46 0.31 0
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403656 135061216 2 O2C6H7 A2B6C7 -127.96 3.94 -9.58 -0.04 0
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403657 135061217 2 O2H7C8 A2B7C8 -75.43 4.01 -9.46 -0.38 0
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403658 135061218 1 N2C17H26 A2B17C26 3.22 4.56 -8.48 -0.39 0
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403659 135061219 1 BrSO3C21H21 ABC3D21E21 -62.7 8.13 -9.43 -0.74 0
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403660 135061220 1 BrSO3C21H21 ABC3D21E21 -50.08 6.68 -9.47 -0.71 0
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403661 135061221 1 OC18H20 AB18C20 5.2 1.85 -8.62 0.31 0
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403662 135061222 1 N2C13H20 A2B13C20 33.1 1.96 -8.4 -0.16 0
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403664 135061224 1 BNSiO6C27H34 ABCD6E27F34 -308.31 5.67 -9.12 -0.53 0
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403665 135061225 1 BSiO3C19H31 ABC3D19E31 -255.55 2.18 -8.64 0.6 0
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403666 135061227 1 NSSiO2C21H29 ABCD2E21F29 -68.54 5.8 -9.41 -0.76 0
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403667 135061228 1 NSSiO2C21H29 ABCD2E21F29 -68.82 4.68 -9.19 -0.71 0
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403668 135061229 1 BSiO2C23H33 ABC2D23E33 -172.9 2.85 -8.72 0.43 0