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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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170023 75184202 1 NS3O4H21C23 AB3C4D21E23 -89.71 2.26 -8.91 -1.98 0
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170024 75184203 1 N2S2O4H22C29 A2B2C4D22E29 -46.11 8.85 -8.72 -1.82 0
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170025 75184204 1 S2N3O4H19C24 A2B3C4D19E24 -50.86 5.2 -9.29 -1.89 0
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170026 75184521 1 NO11C34H55 AB11C34D55 -470.82 7.7 -9.31 0.14 0
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170027 75184752 1 SO3N5C25H31 AB3C5D25E31 -30.2 6.46 -8.68 -0.78 0
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170028 75185124 1 SN2O4C26H26 AB2C4D26E26 -93.32 4.52 -8.32 -0.36 0
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170029 75185245 1 SN3O5C25H25 AB3C5D25E25 -127.65 6.41 -8.89 -0.43 1
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170030 75185246 1 SN4O8C29H31 AB4C8D29E31 -242.28 4.39 0.0 0.0 0
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170031 75185394 1 ClSN4O4C23H29 ABC4D4E23F29 -153.21 9.62 -8.96 -0.35 1
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170032 75185549 1 ClN4O6H24C25 AB4C6D24E25 -161.36 6.99 0.0 0.0 1
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170033 75185550 1 N4O5C25H25 A4B5C25D25 -126.62 2.34 0.0 0.0 0
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170034 75185572 1 ClN4O4C32H41 AB4C4D32E41 -179.25 7.73 -9.27 -0.03 0
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170035 75185780 1 SO4N5C29H33 AB4C5D29E33 -125.57 9.61 -8.31 -1.3 1
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170036 75185781 1 N5O6H28C30 A5B6C28D30 -134.66 3.26 0.0 0.0 0
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170037 75185782 1 N3O7C31H39 A3B7C31D39 -270.58 1.95 -8.22 -0.15 0
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170038 75185783 1 N3O3C28H33 A3B3C28D33 -114.28 4.83 -9.24 0.12 0
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170039 75186020 1 ClN4O5H29C30 AB4C5D29E30 -87.11 10.57 -9.36 -1.63 0
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170040 75187099 1 SN3O3C21H27 AB3C3D21E27 -109.38 7.08 -8.67 -0.41 0
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170041 75187205 1 SN3O4C23H29 AB3C4D23E29 -166.76 8.77 -8.85 -0.6 0
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170042 75187325 1 BrFON2S2H20C23 ABCD2E2F20G23 -11.72 4.1 -8.42 -0.89 0
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170043 75187327 1 FO2S2N3C26H26 AB2C2D3E26F26 -58.41 6.48 -8.32 -0.79 0
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170044 75187842 1 SO3N4H14C17 AB3C4D14E17 31.01 2.85 -9.02 -2.02 0
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170045 75187843 1 SF3O3N4H15C16 AB3C3D4E15F16 -197.31 2.23 -9.45 -0.8 0
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170046 75187844 1 SO3N4H16C18 AB3C4D16E18 8.8 1.24 -9.11 -1.52 0
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170047 75187845 1 SO3N4H18C19 AB3C4D18E19 1.16 2.86 -8.98 -1.56 0
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170048 75187846 1 SO3N4C17H20 AB3C4D17E20 -49.13 4.9 -9.12 -0.71 0
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170049 75187847 1 SO3N4C18H22 AB3C4D18E22 -53.2 5.96 -9.14 -0.73 0
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170050 75187848 1 SO3N4C18H22 AB3C4D18E22 -54.07 5.54 -9.11 -0.69 0
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170051 75189372 1 O4N5C20H25 A4B5C20D25 -105.49 6.19 -9.07 -0.62 0
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170052 75189557 1 SCl2O2N5C29H35 AB2C2D5E29F35 -63.62 4.87 -8.56 -0.75 0
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170053 75189698 1 ClOSN6C29H31 ABCD6E29F31 93.99 9.34 -8.33 -1.75 0
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170054 75189758 1 BrNO5C20H24 ABC5D20E24 -181.89 3.37 -8.48 -0.58 0
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170055 75190663 1 ClSN2O2C19H23 ABC2D2E19F23 -87.46 5.3 -8.72 -0.62 0
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170056 75190664 1 ClSN2O2C21H27 ABC2D2E21F27 -94.47 4.39 -8.74 -0.62 0
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170057 75190665 1 ClSN3O4C24H30 ABC3D4E24F30 -177.87 4.06 -8.76 -0.63 0
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170058 75190940 1 SN2O2C27H32 AB2C2D27E32 -59.67 8.44 -8.82 -0.53 0
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170059 75190941 1 SN2O3C28H34 AB2C3D28E34 -90.61 8.94 -8.8 -0.57 2
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170061 75191132 1 SN3O3C26H27 AB3C3D26E27 -54.59 6.31 -8.8 -0.77 2
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170062 75191156 1 N3O4H25C26 A3B4C25D26 -45.46 8.83 -9.01 -0.7 0
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170063 75192036 1 SO2N3H25C26 AB2C3D25E26 17.49 6.7 -8.12 -1.78 0
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170064 75192037 1 SO2N3C25H29 AB2C3D25E29 -23.41 5.14 -8.65 -1.56 0
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170065 75192038 1 FSN3O3C25H30 ABC3D3E25F30 -144.23 2.07 -8.75 -0.56 0
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170066 75192432 1 ClO2N3C16H18 AB2C3D16E18 -52.17 5.85 -8.83 -0.29 0
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170067 75192613 1 FSN3O3C12H14 ABC3D3E12F14 -132.47 8.34 -9.89 -1.04 1
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170068 75192614 1 OSN6C8H11 ABC6D8E11 92.19 4.88 0.0 0.0 0
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170069 75192632 1 FeN4O16C42H48 AB4C16D42E48 -535.97 15.3 -8.58 -1.69 0
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170070 75192832 1 ClNO4C18H26 ABC4D18E26 -199.24 4.09 -8.77 -0.52 0
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170071 75192883 1 O2N3C23H31 A2B3C23D31 -28.68 4.64 -8.68 -0.19 0
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170072 75193114 2 OSN2C9H12 ABC2D9E12 -19.4 3.94 -8.43 -1.34 0
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170073 75193255 1 ON3C6H9 AB3C6D9 -10.69 3.17 -9.51 -0.13 0
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170074 75193335 1 ClOSN5C29H32 ABCD5E29F32 51.11 9.07 -8.93 -0.64 0
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170075 75193488 1 FSO2N4C29H35 ABC2D4E29F35 -65.35 4.09 -9.11 -0.86 0
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170076 75193767 1 ClF3O3N4H20C24 AB3C3D4E20F24 -200.79 10.61 -9.11 -1.14 0
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170077 75193768 1 ClF3O3N4H18C27 AB3C3D4E18F27 -153.7 8.42 -8.98 -1.39 0
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170078 75193769 1 O3F4N4H18C27 A3B4C4D18E27 -194.66 9.68 -9.05 -1.4 0
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170079 75193834 1 N4O4H26C29 A4B4C26D29 -43.8 5.21 -8.61 -0.9 0
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170080 75193835 1 O3N4H24C28 A3B4C24D28 -5.79 7.08 -8.81 -1.21 0
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170081 75193836 1 ClN4O4H21C23 AB4C4D21E23 -76.04 7.48 -8.87 -1.37 0
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170082 75194024 1 FO3N4H21C23 AB3C4D21E23 -75.22 8.2 -9.04 -0.87 0
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170083 75194289 1 ON3C19H19 AB3C19D19 49.61 3.16 -9.02 -0.9 0
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170084 75194848 1 SN2O5C18H26 AB2C5D18E26 -192.05 5.3 -9.56 -1.21 0
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170085 75194849 1 N3O3C26H27 A3B3C26D27 -41.62 3.81 -8.86 -0.78 0
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170086 75194850 1 ClOSF3N3H9C18 ABCD3E3F9G18 -56.85 4.88 -10.04 -2.25 0
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170087 75194874 1 N2F3O4C18H23 A2B3C4D18E23 -283.69 1.53 -8.58 -0.46 0
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170088 75194921 1 NF2O3H17C18 AB2C3D17E18 -154.3 5.52 -7.83 -0.92 0
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170089 75195068 1 SO3N5H25C27 AB3C5D25E27 5.2 6.63 -9.02 -0.56 0
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170090 75195662 1 S2N3O4H15C17 A2B3C4D15E17 -22.7 4.52 -9.25 -3.12 0
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170091 75195778 1 N2O4C17H18 A2B4C17D18 -102.68 4.1 -8.22 -1.03 0
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170092 75196094 1 O2F3N4C15H19 A2B3C4D15E19 -192.76 8.95 -8.81 -0.38 1
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170093 75196194 1 N2O2C23H27 A2B2C23D27 -28.93 4.73 0.0 0.0 1
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170094 75196195 1 SN2H23C25 AB2C23D25 86.02 3.46 0.0 0.0 1
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170095 75196196 1 SN2C22H23 AB2C22D23 58.71 2.38 0.0 0.0 0
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170096 75196197 1 ClN2S2O3C23H23 AB2C2D3E23F23 -71.28 5.72 -8.1 -0.75 0
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170097 75196530 1 BrNO6H16C20 ABC6D16E20 -138.05 8.0 -9.51 -1.08 0
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170098 75197103 1 ClNSF3O3H7C15 ABCD3E3F7G15 -182.93 3.29 -10.12 -1.84 0
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170099 75197104 1 NSF3O3C15H16 ABC3D3E15F16 -242.81 5.57 -9.8 -1.0 0
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170100 75197188 1 SO2N3C10H13 AB2C3D10E13 0.43 3.13 -9.07 -2.07 0
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170101 75197189 1 ON6C13H16 AB6C13D16 73.6 3.25 -8.52 -0.04 0
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170102 75197568 1 SF3O4N6C18H29 AB3C4D6E18F29 -348.59 10.3 -9.39 -0.53 1
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170103 75197569 1 N3O4C18H18 A3B4C18D18 -78.99 3.21 0.0 0.0 0
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170104 75197570 1 S2N3O5H11C16 A2B3C5D11E16 -55.05 4.78 -9.5 -1.74 0
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170105 75197571 1 N3O3C14H15 A3B3C14D15 -69.15 6.89 -9.76 -0.94 0
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170106 75197572 1 N3O5C13H15 A3B5C13D15 -106.11 5.06 -10.09 -1.42 0
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170107 75197573 1 N3S3O5H17C18 A3B3C5D17E18 -140.3 8.33 -9.08 -1.89 0
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170108 75197574 1 FSO2N6C23H27 ABC2D6E23F27 0.9 5.11 -8.94 -0.75 0
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170109 75197575 1 FSO3N4C23H25 ABC3D4E23F25 -43.4 6.0 -8.93 -0.91 0
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170110 75197576 1 FN3O5H16C20 AB3C5D16E20 -54.42 5.66 -9.56 -1.69 0
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170111 75197577 1 N2O3F4H12C19 A2B3C4D12E19 -197.08 4.91 -10.06 -1.49 0
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170112 75197578 1 N2F3O4H15C20 A2B3C4D15E20 -190.48 8.39 -9.3 -1.23 0
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170113 75197750 1 SN4O4C21H22 AB4C4D21E22 -70.42 6.06 -9.11 -1.95 0
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170114 75198104 1 BrO3N4H21C22 AB3C4D21E22 14.74 8.02 -8.97 -1.07 1
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170115 75198279 1 N3O4C14H14 A3B4C14D14 -79.64 1.57 0.0 0.0 0
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170116 75198280 1 SN3O5C14H23 AB3C5D14E23 -179.85 4.4 -9.44 -0.69 0
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170117 75198281 1 SN2O3C20H24 AB2C3D20E24 -71.26 5.08 -8.96 -0.55 0
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170118 75198499 1 FNO3H18C19 ABC3D18E19 -98.55 4.45 -8.86 -0.64 0
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170119 75198864 1 SO2N3C25H29 AB2C3D25E29 -16.59 2.79 -8.96 -1.79 0
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170120 75198865 1 O2N3C15H19 A2B3C15D19 -34.08 1.43 -9.29 -0.06 0
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170121 75198866 1 S2F3N3O3H16C19 A2B3C3D3E16F19 -198.32 6.34 -9.11 -1.59 0
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170122 75199165 1 SN4O4C26H40 AB4C4D26E40 -165.35 8.62 -8.61 -0.28 0
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170123 75199454 1 O4N5C26H39 A4B5C26D39 -152.71 6.37 -9.44 -0.24 0