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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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47118 10529722 1 O5C32H46 A5B32C46 -260.48 6.01 -9.48 -0.27 0
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47119 10529723 2 O2N3C13H25 A2B3C13D25 -254.87 2.67 -9.39 0.1 0
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47120 10529726 1 BrIN2O4C16H20 ABC2D4E16F20 -152.91 2.72 -9.5 -1.02 0
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47121 10529730 1 BrO5C27H27 AB5C27D27 -115.03 3.56 -8.61 -0.07 0
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47122 10529734 1 O4N7H25C27 A4B7C25D27 4.65 8.29 -8.95 -1.23 0
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47123 10529740 1 NSO6C28H33 ABC6D28E33 -200.06 5.98 -8.45 -0.14 0
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47124 10529741 1 N3O5C29H41 A3B5C29D41 -235.23 6.41 -9.74 -0.38 0
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47125 10529761 1 O3H32C36 A3B32C36 8.27 1.25 -9.37 -0.06 0
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47126 10529773 1 SO2C33H52 AB2C33D52 -144.94 5.68 -9.83 -0.48 0
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47127 10529778 1 N3P3Cl4O6C10H20 A3B3C4D6E10F20 -391.92 6.14 -8.73 -2.21 0
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47128 10529779 1 Cl2O9H22C23 A2B9C22D23 -332.52 4.78 -9.19 -1.31 0
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47129 10529794 1 NPSiO5C27H36 ABCD5E27F36 -244.35 3.01 -9.14 -0.06 0
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47130 10529795 1 SN3O5C27H35 AB3C5D27E35 -140.41 8.46 -8.66 -0.98 0
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47131 10529798 1 CoN2Cl3O3C21H23 AB2C3D3E21F23 -110.04 23.72 0.0 0.0 0
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47132 10529819 1 O8C29H38 A8B29C38 -348.5 6.43 -9.78 -0.68 0
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47133 10529864 1 O10C27H32 A10B27C32 -339.61 4.6 -9.72 -0.51 0
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47134 10529872 1 N2O7C28H40 A2B7C28D40 -297.91 3.29 -9.85 -0.26 0
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47135 10529887 1 O3N4C28H40 A3B4C28D40 -123.46 2.78 -9.16 -0.4 0
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47136 10529902 1 NSSiF3O3C25H38 ABCD3E3F25G38 -322.88 4.47 -8.71 -1.32 0
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47137 10529904 1 NSiO3C32H43 ABC3D32E43 -153.45 3.15 -9.0 0.12 0
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47138 10529908 1 BrNSO5C24H24 ABCD5E24F24 -145.43 7.2 -9.5 -0.46 0
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47139 10529914 1 O11C26H30 A11B26C30 -441.52 5.11 -8.73 -0.41 0
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47140 10529924 1 O3N4H30C32 A3B4C30D32 -25.12 7.36 -8.82 -0.47 0
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47141 10529925 1 N2P2O3C28H44 A2B2C3D28E44 -171.68 3.44 -8.3 -0.15 1
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47142 10529947 1 O2N3C22H32 A2B3C22D32 -65.77 3.11 0.0 0.0 0
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47143 10529953 1 O2S2N5C27H29 A2B2C5D27E29 31.62 4.87 -8.5 -0.48 0
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47144 10529965 1 PO2Se2C23H23 AB2C2D23E23 -27.61 6.19 -8.4 -0.36 0
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47145 10529967 1 O5F6C25H26 A5B6C25D26 -457.66 5.61 -9.52 -0.32 0
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47146 10529969 1 P2O9C23H38 A2B9C23D38 -555.42 4.42 -9.74 0.36 0
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47147 10529978 1 N2O5H28C32 A2B5C28D32 -116.29 9.18 -8.77 -0.81 0
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47148 10529981 2 NOH14C18 ABC14D18 214.47 1.88 -7.82 -1.3 0
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47149 10529984 1 N4O6C27H44 A4B6C27D44 -307.78 10.05 -9.71 -0.07 0
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47150 10529988 1 O5C33H44 A5B33C44 -216.4 5.36 -8.77 -0.84 0
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47151 10529995 1 Si3O5C25H56 A3B5C25D56 -443.83 1.68 -8.9 0.9 0
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47152 10530006 1 N5O5H23C29 A5B5C23D29 -73.45 8.19 -8.49 -1.3 0
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47153 10530008 1 O4N11C23H27 A4B11C23D27 -25.86 6.37 -8.4 -0.59 0
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47154 10530011 1 SN3O6C27H27 AB3C6D27E27 -135.19 11.14 -8.55 -1.15 0
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47155 10530015 1 N3O7C27H43 A3B7C27D43 -340.62 8.04 -9.49 -0.47 0
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47156 10530016 1 O2S2N3H23C30 A2B2C3D23E30 53.95 5.02 -8.42 -1.33 0
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47157 10530025 1 ClNO4C31H36 ABC4D31E36 -150.17 2.95 -8.35 -0.17 0
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47158 10530028 1 N2F3O3H29C30 A2B3C3D29E30 -151.22 4.46 -9.18 -1.38 0
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47159 10530057 1 N3O7C28H33 A3B7C28D33 -282.42 6.86 -9.51 0.03 0
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47160 10530060 1 SN5O5C26H29 AB5C5D26E29 -89.06 4.21 -9.06 -0.5 0
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47161 10530061 1 SO6N7C22H33 AB6C7D22E33 -225.83 3.53 -9.38 -0.66 0
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47162 10530067 1 NOH37C38 ABC37D38 62.69 1.5 -8.16 -0.18 0
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47163 10530081 1 NCl2O3C30H31 AB2C3D30E31 -68.71 3.36 -9.03 -1.18 0
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47164 10530127 1 SN3O6C26H43 AB3C6D26E43 -303.13 1.88 -9.17 -0.15 0
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47165 10530132 1 ClF3N3O5H23C24 AB3C3D5E23F24 -321.84 1.32 -8.48 -1.1 0
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47166 10530134 2 BrNC13H13 ABC13D13 61.59 7.75 -7.87 -0.95 2
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47167 10530135 2 NC13H13 AB13C13 161.96 4.56 -4.32 -1.9 0
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47168 10530160 1 SiO4C33H38 AB4C33D38 -138.09 2.54 -9.34 -0.12 1
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47169 10530167 1 ON4C27H31 AB4C27D31 57.19 14.51 0.0 0.0 0
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47170 10530169 1 ClO8C27H39 AB8C27D39 -370.5 5.23 -9.83 -0.31 0
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47171 10530193 1 ClF3O3N5C24H29 AB3C3D5E24F29 -260.49 3.88 -9.22 -1.24 0
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47172 10530207 1 SSiN4O5C25H32 ABC4D5E25F32 -144.87 7.06 -8.61 -0.56 0
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47173 10530223 1 ClSN2O6H25C26 ABC2D6E25F26 -10.77 8.06 -9.63 -1.74 0
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47174 10530228 1 O3C8H10 A3B8C10 -106.24 6.33 -9.14 -0.25 0
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47175 10530257 2 N2O6C10H21 A2B6C10D21 -581.51 6.64 -9.62 0.52 0
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47176 10530307 1 SN2O4C31H36 AB2C4D31E36 -73.21 3.32 -8.4 -0.5 0
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47177 10530321 1 NTiF2O2C31H31 ABC2D2E31F31 -144.63 3.11 -8.22 -1.46 0
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47178 10530333 1 O2N3H27C36 A2B3C27D36 128.38 6.26 -8.48 -0.92 0
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47179 10530334 1 O2N5C33H35 A2B5C33D35 38.23 4.59 -8.69 -1.12 0
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47180 10530335 1 NSO7C28H39 ABC7D28E39 -321.78 7.84 -9.35 -1.0 0
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47181 10530339 1 NSi2O4C29H51 AB2C4D29E51 -292.02 1.99 -8.76 -0.41 0
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47182 10530386 1 NI2O2C18H19 AB2C2D18E19 20.47 3.95 -8.15 -0.66 0
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47183 10530418 4 NOC8H8 ABC8D8 -71.3 4.3 -8.15 -0.27 0
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47184 10530444 1 O2N5C33H39 A2B5C33D39 -12.86 3.62 -8.32 0.06 0
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47185 10530487 4 ON2C7H7 AB2C7D7 -56.75 3.29 -8.4 -0.73 0
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47186 10530506 1 STeN3O9C15H15 ABC3D9E15F15 -85.78 10.8 -9.11 -2.31 0
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47187 10530524 1 O2Br3N3H12C18 A2B3C3D12E18 29.51 6.42 -8.95 -1.68 0
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47188 10530534 1 IO3C27H43 AB3C27D43 -180.23 2.69 -8.87 -0.91 0
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47189 10530541 1 N4O5C30H46 A4B5C30D46 -251.4 3.61 -9.1 -0.81 0
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47190 10530556 1 SN3O5H29C30 AB3C5D29E30 -94.69 9.25 -9.5 -0.89 0
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47191 10530558 1 N3O7C29H41 A3B7C29D41 -290.97 1.37 -8.82 0.1 0
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47192 10530570 1 ClO2N5H22C32 AB2C5D22E32 123.06 4.14 -8.97 -1.75 0
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47193 10530584 1 N2O8C29H40 A2B8C29D40 -360.85 7.52 -9.7 0.0 0
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47194 10530587 1 O3N4H32C34 A3B4C32D34 -32.75 4.96 -8.85 -1.03 0
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47195 10530595 1 SiO4C33H56 AB4C33D56 -270.32 5.09 -9.0 -0.35 0
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47196 10530596 1 SiO3C34H60 AB3C34D60 -270.68 4.42 -8.35 0.72 0
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47197 10530598 1 PSCl2N2O9H11C19 ABC2D2E9F11G19 -183.07 4.23 -9.14 -1.86 0
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47198 10530604 1 F3N3O7C25H34 A3B3C7D25E34 -446.54 10.36 -9.49 0.04 0
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47199 10530608 1 N3O6C30H47 A3B6C30D47 -316.32 7.29 -9.48 0.14 0
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47200 10530610 1 SN3O3C32H39 AB3C3D32E39 -82.89 8.49 -8.52 -0.43 0
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47201 10530614 1 ClS3O4N5H16C22 AB3C4D5E16F22 36.15 5.54 -9.14 -1.82 0
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47202 10530615 1 ClN5O5C27H36 AB5C5D27E36 -211.93 1.78 -9.14 -1.18 0
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47203 10530625 1 N2O8C29H42 A2B8C29D42 -348.13 6.23 -9.09 -1.88 0
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47204 10530626 2 NO3C16H19 AB3C16D19 -47.14 4.19 -7.9 -1.72 0
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47205 10530630 1 PSiO2N4C30H39 ABC2D4E30F39 -73.04 0.47 -8.87 -0.36 0
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47206 10530632 3 O2C11H18 A2B11C18 -340.32 1.43 -9.72 1.1 0
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47207 10530636 1 SiO3C35H50 AB3C35D50 -187.92 1.23 -8.99 0.14 0
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47208 10530638 1 Si2O7C27H54 A2B7C27D54 -489.22 3.74 -8.67 0.44 0
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47209 10530640 1 ClO2S2Si2N4C22H39 AB2C2D2E4F22G39 -155.27 5.94 -8.95 -1.25 0
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47210 10530645 1 N5O8C26H37 A5B8C26D37 -303.75 4.08 -9.45 -0.99 0
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47211 10530651 1 NSiO3C34H49 ABC3D34E49 -135.94 3.81 -8.9 0.22 0
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47212 10530654 1 ClNO9C27H30 ABC9D27E30 -373.04 4.12 -8.93 -1.9 0
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47213 10530658 1 BIN2O2H26C27 ABC2D2E26F27 63.13 7.52 -8.53 -0.91 0
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47214 10530672 1 SiO2H32C38 AB2C32D38 19.48 3.21 -8.92 -0.59 0
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47215 10530676 1 NO6H31C34 AB6C31D34 -127.71 4.59 -8.37 -0.65 0
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47216 10530685 1 BrClOS2N6H18C21 ABCD2E6F18G21 103.79 6.05 -9.02 -1.66 1
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47217 10530718 1 S2N5O7C23H30 A2B5C7D23E30 -159.78 7.29 0.0 0.0 0