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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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42955 10317391 1 ON2F3C21H23 AB2C3D21E23 -147.86 4.96 -8.52 -0.52 0
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42956 10317396 1 O6C21H28 A6B21C28 -218.57 3.73 -9.24 0.44 0
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42957 10317401 1 S2O3N4C16H16 A2B3C4D16E16 -26.69 6.41 -9.12 -0.91 0
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42958 10317406 1 SO3H20C23 AB3C20D23 -39.25 6.27 -9.61 -0.35 0
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42959 10317426 2 SO2C9H16 AB2C9D16 -180.1 2.86 -9.01 -0.63 0
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42961 10317430 1 ClO2N4H13C20 AB2C4D13E20 99.57 2.28 -9.15 -1.7 0
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42962 10317432 1 ClN2O2H17C22 AB2C2D17E22 -4.67 1.4 -8.66 -1.4 2
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42963 10317436 1 MnN2O9C11H18 AB2C9D11E18 -330.15 8.45 0.0 0.0 0
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42964 10317447 1 NSO6C18H19 ABC6D18E19 -159.56 0.94 -8.17 -0.66 0
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42965 10317448 1 NSO4H15C21 ABC4D15E21 -64.06 3.34 -9.05 -1.19 0
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42966 10317452 1 NO4C23H23 AB4C23D23 -92.68 3.35 -8.22 -0.48 0
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42967 10317453 1 N3O3C22H23 A3B3C22D23 -12.15 8.13 -9.45 -1.0 0
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42968 10317457 1 SO2N3H19C21 AB2C3D19E21 13.64 5.11 -8.81 -0.34 0
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42969 10317459 1 NO5C21H31 AB5C21D31 -230.54 3.05 -8.7 0.23 0
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42970 10317460 1 NO3C24H27 AB3C24D27 -80.23 2.88 -8.09 -0.62 0
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42971 10317461 1 NO3C24H27 AB3C24D27 -85.33 8.69 -9.37 -0.92 0
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42972 10317463 1 ON5C22H27 AB5C22D27 49.73 4.59 -8.46 -0.48 0
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42973 10317465 1 NSO4C20H27 ABC4D20E27 -175.76 4.61 -9.4 -0.44 0
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42974 10317467 1 NO4C22H35 AB4C22D35 -201.19 4.42 -9.72 -0.05 0
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42975 10317487 1 N2O9C15H26 A2B9C15D26 -436.33 3.44 -9.96 0.18 0
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42976 10317488 1 N2O5H18C21 A2B5C18D21 -141.88 3.85 -8.76 -0.74 0
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42977 10317489 1 N2O5H18C21 A2B5C18D21 -139.44 4.37 -8.84 -1.45 0
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42978 10317493 1 SN4O5C16H18 AB4C5D16E18 -166.06 7.25 -9.07 -0.6 0
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42979 10317501 1 N4O5C18H26 A4B5C18D26 -176.88 2.49 -9.3 -0.65 0
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42980 10317505 1 FO5C21H27 AB5C21D27 -271.04 4.77 -9.92 -0.4 0
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42981 10317509 1 OSN6H18C19 ABC6D18E19 76.85 9.05 -9.54 -1.34 0
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42982 10317510 3 O2C7H10 A2B7C10 -265.59 9.22 -9.97 -0.65 0
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42983 10317511 2 O2C12H13 A2B12C13 -110.72 0.45 -8.71 0.48 0
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42984 10317518 1 OSN4C21H22 ABC4D21E22 30.7 4.6 -8.59 -0.77 0
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42985 10317521 1 O5C22H34 A5B22C34 -244.73 2.72 -9.51 0.23 0
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42986 10317523 1 N2O4C21H34 A2B4C21D34 -165.28 3.57 -9.5 0.13 0
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42987 10317535 1 Si2O3C20H34 A2B3C20D34 -175.67 3.89 -9.07 -0.6 0
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42988 10317594 1 NO2C25H33 AB2C25D33 -85.06 3.4 -8.74 0.21 0
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42989 10317596 1 NO2C25H33 AB2C25D33 -78.06 2.8 -8.71 0.36 0
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42990 10317597 1 ON3C24H33 AB3C24D33 -15.99 5.11 -8.14 -0.01 0
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42991 10317610 1 ClNO2H22C23 ABC2D22E23 -48.61 4.94 -8.89 -0.22 0
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42992 10317629 4 NOC5H5 ABC5D5 -48.92 4.23 -8.86 -0.56 0
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42993 10317631 1 S2N4O5H12C14 A2B4C5D12E14 -112.02 8.79 -9.69 -1.37 0
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42994 10317646 1 FOSN2H21C22 ABCD2E21F22 1.69 2.25 -8.78 -0.56 0
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42995 10317655 1 SN2O4C19H28 AB2C4D19E28 -187.61 3.05 -9.45 -0.12 0
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42996 10317658 1 O3C25H32 A3B25C32 -83.21 5.26 -9.81 0.01 0
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42997 10317662 2 NOC12H16 ABC12D16 -54.23 2.96 -8.67 0.32 0
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42998 10317665 1 OS3N4C16H20 AB3C4D16E20 31.26 2.59 -8.51 -0.97 0
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42999 10317667 1 ON2C25H36 AB2C25D36 -64.27 3.3 -8.28 0.45 0
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43000 10317674 1 ClON6H17C19 ABC6D17E19 77.17 5.27 -9.09 -1.15 0
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43001 10317676 1 ClN2O2H21C22 AB2C2D21E22 83.07 2.54 -9.02 -0.46 0
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43002 10317684 1 BrO4C18H21 AB4C18D21 -161.42 3.6 -9.63 -0.34 0
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43003 10317692 1 N5O7C15H19 A5B7C15D19 -234.24 3.2 -9.74 -0.64 0
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43004 10317693 1 N5O7C15H19 A5B7C15D19 -258.63 3.41 -9.24 -0.69 0
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43005 10317706 1 NO3H19C25 AB3C19D25 -26.24 3.16 -8.47 -0.71 0
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43006 10317707 1 N3O4C21H23 A3B4C21D23 -61.33 10.58 -8.54 -0.8 0
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43007 10317709 1 O2N3H19C24 A2B3C19D24 47.06 4.74 -8.69 -1.1 0
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43008 10317720 1 SN3O4C18H27 AB3C4D18E27 -149.78 5.51 -8.65 -1.08 0
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43009 10317748 1 N2O5C21H22 A2B5C21D22 -145.87 5.34 -8.26 -0.83 0
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43010 10317754 1 FO2N4C21H23 AB2C4D21E23 -37.33 9.72 -8.09 -0.96 0
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43011 10317760 1 N4O5C18H30 A4B5C18D30 -253.61 4.68 -9.6 0.32 0
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43012 10317761 1 N2O2H22C25 A2B2C22D25 34.13 5.5 -8.04 -0.44 0
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43013 10317762 1 O3N4C21H26 A3B4C21D26 -65.78 1.92 -8.62 -1.18 0
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43014 10317769 1 N2O3C23H30 A2B3C23D30 -53.14 4.15 -8.51 -0.81 0
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43015 10317774 1 O5C22H38 A5B22C38 -272.65 3.38 -9.99 0.42 0
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43016 10317779 1 SO3C22H38 AB3C22D38 -179.64 5.46 -10.2 -0.56 0
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43017 10317790 1 BrON4H15C18 ABC4D15E18 62.36 1.6 -9.69 -0.73 0
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43018 10317791 1 SCl2N2O3H12C16 AB2C2D3E12F16 -75.12 10.35 -8.63 -1.7 0
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43019 10317793 1 FN3O4H18C20 AB3C4D18E20 -144.52 11.0 -9.07 -1.16 0
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43020 10317794 1 SN3O5H13C18 AB3C5D13E18 -70.89 2.03 -10.05 -1.75 0
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43021 10317804 1 O2N3H21C24 A2B3C21D24 21.67 1.84 -8.53 -1.01 0
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43022 10317805 1 O2N3H21C24 A2B3C21D24 32.44 5.34 -8.26 -0.81 0
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43023 10317809 1 SO2N5C19H21 AB2C5D19E21 6.88 6.2 -8.81 -1.3 0
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43024 10317827 1 ClFON5H15C19 ABCD5E15F19 -5.91 1.86 -8.5 -0.62 0
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43025 10317831 1 ClS2O3N5C12H22 AB2C3D5E12F22 -113.02 7.05 -9.11 -0.17 0
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43026 10317834 1 SBr2H12C15 AB2C12D15 75.98 4.82 -7.53 -0.96 0
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43027 10317838 1 Cl2O2N3H11C19 A2B2C3D11E19 13.26 4.31 -9.01 -1.7 0
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43028 10317885 1 O3C25H36 A3B25C36 -132.56 5.96 -9.11 -1.32 0
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43029 10317890 1 ClFN2O3H14C20 ABC2D3E14F20 -79.98 2.39 -9.75 -1.77 0
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43030 10317923 1 O2N5H19C22 A2B5C19D22 84.17 2.59 -8.54 -0.84 0
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43031 10317927 1 NO5C22H27 AB5C22D27 -192.12 2.85 -9.11 -0.51 0
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43032 10317929 1 N3O4C21H27 A3B4C21D27 -133.63 11.85 -9.16 -1.62 0
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43033 10317938 1 NO4C23H31 AB4C23D31 -151.13 2.92 -7.98 0.3 0
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43034 10317948 1 NSiO3C22H31 ABC3D22E31 -108.68 5.69 -8.62 -0.63 1
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43035 10317952 1 SN5C14H16 AB5C14D16 105.29 4.2 0.0 0.0 0
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43036 10317953 1 ClNO4H20C21 ABC4D20E21 -126.79 5.47 -8.81 -1.19 0
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43037 10317954 1 ClN3O3C20H20 AB3C3D20E20 -87.24 6.92 -9.18 -1.38 0
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43038 10317955 1 ClON3H16C23 ABC3D16E23 78.16 5.28 -8.76 -1.36 0
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43039 10318011 1 SSiO2C22H30 ABC2D22E30 -92.66 3.54 -8.49 -0.23 0
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43040 10318052 1 ClO3N5C18H18 AB3C5D18E18 -35.96 12.98 -9.17 -1.42 0
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43041 10318073 1 O3N4H20C22 A3B4C20D22 37.55 9.45 -9.37 -1.73 0
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43042 10318083 1 SN2O3H16C22 AB2C3D16E22 -21.13 2.02 -9.17 -0.97 0
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43043 10318092 1 N2O3C24H24 A2B3C24D24 -32.74 4.45 -8.67 -0.57 0
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43044 10318093 1 FSO2N4C19H21 ABC2D4E19F21 -59.05 6.63 -9.16 -1.09 0
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43045 10318129 1 Cl2N2O3H14C19 A2B2C3D14E19 -55.93 6.49 -8.96 -0.95 0
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43046 10318172 1 OSN5H19C21 ABC5D19E21 62.49 4.19 -8.75 -1.21 0
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43047 10318175 1 NO5C22H31 AB5C22D31 -210.36 3.34 -9.76 -0.63 0
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43048 10318190 1 N2Cl3O5C13H19 A2B3C5D13E19 -245.52 3.02 -10.15 -0.77 0
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43049 10318191 1 ClO4N5H16C17 AB4C5D16E17 114.7 16.56 -9.88 -2.23 0
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43050 10318194 1 ClNO5C20H20 ABC5D20E20 -202.61 6.25 -9.32 -1.3 0
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43051 10318195 1 ClO3N5C18H20 AB3C5D18E20 -16.85 5.21 -8.85 -1.11 0
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43052 10318206 1 OF4N4H14C19 AB4C4D14E19 -135.2 4.1 -9.72 -1.53 0
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43054 10318217 1 N2O5H18C22 A2B5C18D22 -139.53 8.25 -9.13 -1.53 0
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43055 10318218 2 N2O3C9H11 A2B3C9D11 -218.23 8.49 -8.71 -0.97 0
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43056 10318241 1 N2O3C24H26 A2B3C24D26 -76.04 1.89 -8.32 -0.3 0