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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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15139 430596 1 ClN4O9C18H21 AB4C9D18E21 -245.91 3.03 -10.36 -2.01 0
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15140 430603 1 ON5C10H15 AB5C10D15 19.64 4.07 -8.22 -0.31 0
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15141 430614 1 ClS2N3O6C10H10 AB2C3D6E10F10 -205.99 7.57 -10.14 -1.75 0
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15142 430656 1 ON2C9H18 AB2C9D18 -28.25 1.23 -8.67 0.94 0
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15144 430715 1 N10C21H24 A10B21C24 195.93 8.23 -9.23 -1.07 0
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15145 430716 1 N5O5C15H23 A5B5C15D23 -179.4 2.31 -8.86 -0.51 0
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15146 430747 1 N3O6C31H51 A3B6C31D51 -288.67 8.98 -9.25 -0.23 0
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15147 430756 1 ClSO4H14C15 ABC4D14E15 -23.61 1.81 0.0 0.0 1
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15148 430763 2 NC13H19 AB13C19 1.52 1.88 -7.89 0.46 0
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15149 430791 1 N4C9H11 A4B9C11 101.03 4.68 0.0 0.0 1
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15150 430818 1 NVO4H13C14 ABC4D13E14 -85.8 1.83 0.0 0.0 0
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15151 430828 1 ClOH15C23 ABC15D23 88.08 4.94 -8.86 -1.25 0
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15152 430838 1 O8C33H50 A8B33C50 -143.55 5.99 -9.49 -0.53 0
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15153 431034 3 C5H8 A5B8 -24.52 0.29 -8.85 1.67 0
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15154 431058 2 NH2C3F3 AB2C3D3 -277.38 5.17 -9.7 -0.82 0
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15155 431063 1 ON2C25H34 AB2C25D34 -27.33 0.4 -8.78 0.14 0
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15156 431249 1 NOH25C27 ABC25D27 48.86 1.39 -8.34 -0.07 0
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15157 431268 1 N2C13H14 A2B13C14 83.81 0.42 -8.05 -0.35 0
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15158 431374 1 RuCl2 AB2 82.28 2.96 -7.86 -4.18 2
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15159 431411 1 NOH34C47 ABC34D47 160.48 2.32 0.0 0.0 1
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15160 431537 1 ClNSO5C27H28 ABCD5E27F28 -137.11 8.91 -8.52 -1.37 0
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15161 431549 2 CNH2O2 ABC2D2 -84.39 3.36 -10.5 -1.16 0
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15162 431586 1 PtN4O4C11H15 AB4C4D11E15 52.02 4.52 0.0 0.0 -3
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15163 431614 1 O4H14C17 A4B14C17 7.43 3.33 -9.19 -0.77 0
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15164 431616 1 ClO2H11C15 AB2C11D15 107.49 4.64 -8.93 -0.87 0
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15165 431624 1 ON2C14H19 AB2C14D19 17.76 1.48 0.0 0.0 1
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15166 431673 1 NO3C20H27 AB3C20D27 -53.96 3.35 -9.11 0.64 0
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15167 431695 1 ON2C8H11 AB2C8D11 -16.35 3.72 0.0 0.0 1
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15168 431749 1 ON2C22H47 AB2C22D47 -103.64 3.72 0.0 0.0 1
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15169 431754 1 N3F6C22H25 A3B6C22D25 -272.52 8.52 -8.68 -0.61 0
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15170 431795 1 ClCuN5O6H13C14 ABC5D6E13F14 30.07 8.53 -6.92 -1.45 0
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15171 431796 1 ClN3H12C14 AB3C12D14 73.76 5.08 -7.46 -0.4 0
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15172 431953 1 N2O5C9H18 A2B5C9D18 -245.44 2.54 -10.21 0.19 0
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15173 432068 1 SO5C9H10 AB5C9D10 -202.66 3.38 -10.26 -1.34 0
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15175 432106 1 BrISnC8H18 ABCD8E18 -67.76 3.89 -9.74 -1.67 0
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15176 432109 1 BrClSnN2C12H20 ABCD2E12F20 41.89 3.23 -8.71 -1.3 -2
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15177 432206 1 NO2C9H19 AB2C9D19 -114.29 3.74 -8.96 2.4 0
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15178 432243 1 NO6H13C16 AB6C13D16 -185.46 9.29 -8.86 -0.81 0
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15179 432346 1 NO2C12H25 AB2C12D25 -121.92 1.19 -8.69 2.0 0
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15180 432351 1 ON3C23H47 AB3C23D47 -101.46 4.86 -8.35 0.64 0
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15181 432392 1 H2W3O10 A2B3C10 -536.05 4.12 -9.59 -1.12 0
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15182 432449 2 O9C24H41 A9B24C41 -897.11 3.6 -9.08 0.42 0
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15183 432472 1 ClN4H15C17 AB4C15D17 105.82 0.89 -8.44 -1.3 0
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15185 432522 1 NSZnO5C10H20 ABCD5E10F20 -429.0 8.05 0.0 0.0 -1
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15186 432585 1 NO4C21H28 AB4C21D28 -69.08 4.42 0.0 0.0 1
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15187 432586 1 PtCl2N2C6H14 AB2C2D6E14 53.86 5.09 -9.81 -1.02 0
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15188 432587 2 NC3H8 AB3C8 -19.26 1.37 -9.26 3.32 0
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15189 432684 1 ClN4H17C21 AB4C17D21 116.82 4.53 -8.64 -0.88 0
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15190 432685 1 F2N4H14C15 A2B4C14D15 2.61 1.61 -9.13 -0.57 0
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15191 432687 1 PO3H9F12C18 AB3C9D12E18 -750.54 8.45 -10.62 -1.14 0
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15192 432884 1 PtN2O5C12H16 AB2C5D12E16 -68.3 2.98 -9.8 -2.01 0
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15193 432905 1 SN2O2C20H24 AB2C2D20E24 -50.81 3.2 -8.02 -0.87 0
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15194 432906 1 N2O20C59H62 A2B20C59D62 -737.68 1.4 -9.18 -2.21 0
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15195 432935 1 N4H34C45 A4B34C45 269.7 2.64 -8.42 -1.31 0
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15196 432941 1 FN2H13C17 AB2C13D17 37.41 4.17 -8.4 -0.74 0
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15197 432946 2 OC10H15 AB10C15 -126.59 3.62 -8.56 0.31 0
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15200 433100 1 N3O3C15H25 A3B3C15D25 -145.97 1.94 -8.92 -0.35 0
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15202 433259 1 SO6C22H34 AB6C22D34 -294.32 4.24 -8.6 0.41 0
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15203 433263 1 AsSO5C20H37 ABC5D20E37 -266.3 2.29 -8.47 -0.1 0
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15204 433272 1 PCl2N2O6C13H23 AB2C2D6E13F23 -346.45 3.77 -9.98 0.0 0
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15205 433288 1 N2O4H12C15 A2B4C12D15 -76.17 6.39 -8.64 -1.58 0
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15206 433295 1 OSCl2C8H12 ABC2D8E12 -70.93 3.37 -8.75 0.26 0
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15207 433318 1 O2S2N3H10C12 A2B2C3D10E12 8.79 3.92 0.0 0.0 1
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15208 433358 2 N3C16H23 A3B16C23 30.08 2.22 -7.9 -0.48 0
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15209 433474 1 FN5C11H14 AB5C11D14 5.04 2.14 -8.98 -0.53 0
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15210 433476 1 PCl2N2O5C10H21 AB2C2D5E10F21 -203.95 1.75 -6.75 -0.53 2
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15211 433496 2 NSO2C12H18 ABC2D12E18 -185.42 9.44 -8.91 -0.19 0
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15212 433509 1 PO2C24H26 AB2C24D26 -8.33 4.82 0.0 0.0 0
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15213 433523 1 ClN4C10H11 AB4C10D11 85.05 2.56 -9.19 -0.98 0
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15214 433531 2 O5C14H15 A5B14C15 -255.01 6.21 -9.52 -0.88 0
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15215 433532 1 O17C40H52 A17B40C52 -710.76 2.26 -9.7 -0.81 0
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15216 433546 1 O2S2N4H22C25 A2B2C4D22E25 59.41 6.24 -8.22 -0.8 0
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15217 433560 1 BrN3O9C17H22 AB3C9D17E22 -353.6 3.51 -10.23 -0.95 0
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15218 433580 1 NO7C9H17 AB7C9D17 -314.14 2.63 -10.22 -0.06 0
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15219 433616 1 N2F3O3H11C17 A2B3C3D11E17 -179.85 3.11 -10.32 -1.59 0
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15220 433619 1 NO3C13H17 AB3C13D17 -125.14 6.56 -10.12 -0.74 0
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15221 433634 1 N3O6C19H23 A3B6C19D23 -228.15 3.29 -9.83 -0.53 0
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15222 433645 1 NiI2O2H4C8 AB2C2D4E8 0.96 5.86 -8.64 -1.88 0
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15223 433738 1 N2O3C9H12 A2B3C9D12 -105.82 5.19 -8.57 -0.29 0
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15224 433739 1 N2O3C11H16 A2B3C11D16 -115.25 5.12 -8.26 -0.06 0
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15225 433741 1 O5C21H32 A5B21C32 -226.09 3.74 -10.1 0.39 0
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15226 433882 1 NSO2C5H10 ABC2D5E10 -91.28 5.86 0.0 0.0 0
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15227 433975 1 NOSC14H15 ABCD14E15 14.02 4.44 -7.94 0.07 0
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15228 434034 1 N2C9H18 A2B9C18 -0.32 1.9 -8.7 0.81 0
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15229 434062 1 O7C23H28 A7B23C28 -234.66 5.85 -9.76 0.16 0
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15230 434064 2 OC10H17 AB10C17 -134.59 5.55 -9.39 -0.22 0
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15231 434089 2 O8C19H25 A8B19C25 -674.1 6.04 -9.4 -0.66 0
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15232 434176 2 ClON3C21H22 ABC3D21E22 43.11 2.63 -8.1 -0.97 0
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15233 434177 1 ClON3C21H22 ABC3D21E22 27.66 5.24 -8.03 -0.85 0
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15234 434178 1 NO6C21H31 AB6C21D31 -232.38 2.9 -9.01 0.7 0
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15235 434179 1 NO6C19H29 AB6C19D29 -239.08 3.4 -9.36 0.7 0
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15236 434181 1 NO5C18H27 AB5C18D27 -192.95 1.46 -9.2 0.78 0
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15237 434224 1 O4S5C16H18 A4B5C16D18 -110.34 3.86 -8.75 -1.57 0
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15239 434228 1 NPO3H19C26 ABC3D19E26 76.97 8.45 0.0 0.0 0
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15240 434308 1 N2O2C11H12 A2B2C11D12 -58.5 2.75 -9.6 -0.13 0
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15241 434320 1 O3N8C18H22 A3B8C18D22 24.89 3.85 -7.88 -1.46 0
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15242 434441 1 NO6C22H25 AB6C22D25 -198.56 3.7 -8.8 -1.2 0
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15243 434489 1 NOC15H19 ABC15D19 -8.4 2.53 -8.6 0.18 0
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15244 434528 1 PtSCl2N2O2C6H13 ABC2D2E2F6G13 -9.43 5.56 0.0 0.0 -1
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15245 434569 1 Br2O3C15H16 A2B3C15D16 4.38 2.88 -9.34 -0.99 0