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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148475 53788137 1 ClN3O3C24H26 AB3C3D24E26 -72.2 7.78 -8.62 -1.28 0
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148476 53788138 1 NO5H27C30 AB5C27D30 -124.51 12.35 -8.81 -1.14 0
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148477 53788139 1 Cl2O2C7H10 A2B2C7D10 -108.85 1.59 -10.74 -0.37 0
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148478 53788140 1 FN2O2H13C15 AB2C2D13E15 -48.52 1.64 -8.99 -0.66 0
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148479 53788141 1 NOC25H43 ABC25D43 -70.43 3.44 -9.42 1.02 0
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148480 53788142 1 N3C10H25 A3B10C25 -37.52 2.2 -8.93 2.97 0
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148481 53788143 1 H3Br5C10 A3B5C10 66.84 2.0 -9.46 -1.75 0
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148482 53788144 1 NO2C11H23 AB2C11D23 -119.12 2.48 -8.64 2.11 0
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148483 53788145 1 FCl3O4N10C30H56 AB3C4D10E30F56 -214.55 5.34 -8.41 -0.93 0
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148484 53788146 1 ClFO2N3C9H15 ABC2D3E9F15 -131.7 4.11 -9.06 -0.1 0
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148485 53788147 1 Cl2O2N3C9H15 A2B2C3D9E15 -92.76 4.62 -9.08 -0.2 0
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148486 53788148 2 N2C6H13 A2B6C13 -16.47 2.29 -8.66 2.28 0
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148487 53788149 1 ClSN4C12H15 ABC4D12E15 55.13 2.47 -8.49 -0.47 0
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148488 53788150 1 ON4C25H30 AB4C25D30 6.89 3.48 -8.95 -0.07 0
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148489 53788152 2 ON2C12H12 AB2C12D12 42.93 8.39 -9.14 -0.48 0
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148490 53788153 1 BrN4H5C6 AB4C5D6 102.12 1.51 -9.42 -0.81 0
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148491 53788154 1 SO2N5H9C13 AB2C5D9E13 171.16 12.39 -9.52 -2.72 0
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148492 53788155 2 N2H5C6 A2B5C6 115.61 1.29 -9.42 -0.7 0
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148493 53788156 2 C7H13 A7B13 -58.8 0.13 -10.27 3.75 0
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148494 53788157 1 O3C27H52 A3B27C52 -231.87 1.33 -9.35 0.71 0
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148495 53788158 1 O3C23H40 A3B23C40 -189.41 3.93 -9.85 0.61 0
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148496 53788159 1 OC16H16 AB16C16 6.17 3.15 -8.85 -0.37 0
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148497 53788160 1 SH3C4N5 AB3C4D5 140.7 3.84 -8.94 -2.08 0
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148498 53788161 1 PC11H21 AB11C21 -49.21 1.36 -8.47 3.23 0
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148499 53788162 1 ON3C25H37 AB3C25D37 -64.65 5.44 -7.95 0.19 0
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148500 53788163 1 ClN2H9C13 AB2C9D13 73.23 1.51 -9.13 -1.07 0
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148501 53788164 1 SiC30H36 AB30C36 26.56 0.77 -8.9 0.02 0
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148502 53788165 2 N2H5C6 A2B5C6 117.49 2.39 -8.96 -0.67 0
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148503 53788166 1 NO2C21H31 AB2C21D31 -81.2 4.37 -8.28 0.46 0
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148504 53788167 1 N7O16C71H85 A7B16C71D85 -370.36 24.23 -8.43 -2.57 0
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148505 53788168 1 N2O3C13H14 A2B3C13D14 -103.56 4.94 -8.94 -0.28 0
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148506 53788169 1 NO3C14H15 AB3C14D15 -106.11 8.0 -9.5 -0.82 0
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148507 53788170 1 NO3C14H17 AB3C14D17 -126.86 9.67 -9.62 -0.33 0
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148508 53788171 1 N2O3C14H16 A2B3C14D16 -102.62 6.05 -8.72 -0.21 0
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148509 53788172 1 NO3C15H19 AB3C15D19 -125.45 2.61 -9.13 0.14 0
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148510 53788173 1 NO3C14H23 AB3C14D23 -125.52 3.7 -8.55 0.08 0
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148511 53788174 1 NOC10H19 ABC10D19 -30.59 5.51 -8.82 1.38 -1
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148512 53788175 1 NOC10H18 ABC10D18 -32.7 4.32 0.0 0.0 0
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148513 53788176 1 N3O6C22H37 A3B6C22D37 -300.51 8.88 -9.22 0.41 0
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148514 53788177 1 S2O4C17H30 A2B4C17D30 -226.46 7.78 -9.06 -0.62 0
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148515 53788178 1 ON4C25H32 AB4C25D32 -1.84 2.06 -8.45 -0.21 0
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148516 53788179 1 N2O3H6C8 A2B3C6D8 -0.23 9.87 -8.64 -1.16 0
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148517 53788180 1 OSN2C20H24 ABC2D20E24 -2.57 2.74 -7.78 -0.29 0
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148518 53788181 1 N2O3C17H22 A2B3C17D22 -122.42 5.89 -8.4 -0.27 0
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148519 53788182 1 N3H13C14 A3B13C14 85.94 5.0 -8.49 -0.61 0
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148520 53788183 1 NOC8H13 ABC8D13 -52.28 3.89 -8.32 1.18 0
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148521 53788184 24 CH2 AB2 -115.38 0.14 -10.34 3.82 0
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148522 53788185 1 OC31H50 AB31C50 -108.97 1.87 -8.6 0.57 0
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148523 53788186 1 ClO2N3C24H24 AB2C3D24E24 12.04 0.69 -9.37 -1.41 0
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148524 53788187 1 ClC11H15 AB11C15 -19.42 2.15 -9.1 0.14 0
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148525 53788188 1 ON5C7H11 AB5C7D11 17.42 2.47 -8.92 0.01 0
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148526 53788189 1 ON3C12H21 AB3C12D21 -54.03 4.21 -8.41 0.59 0
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148527 53788190 1 ON3C10H15 AB3C10D15 -37.03 4.02 -8.35 0.57 0
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148528 53788191 12 CH2 AB2 -55.27 0.15 -10.43 3.8 0
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148530 53788193 1 NOC22H33 ABC22D33 -45.27 2.44 -8.38 0.73 0
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148531 53788196 1 BrSN2C5H7 ABC2D5E7 24.42 2.74 -9.08 -0.56 0
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148532 53788197 1 SN2O3C21H22 AB2C3D21E22 -110.62 4.56 -9.03 -0.94 0
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148533 53788198 1 ClPSiC30H46 ABCD30E46 -58.88 2.54 -8.66 0.22 0
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148534 53788199 1 ClSiC10H21 ABC10D21 -71.53 2.38 -9.26 1.08 0
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148535 53788200 1 BC16H21 AB16C21 18.37 1.0 -8.68 -0.3 0
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148536 53788201 1 ClSN4C14H15 ABC4D14E15 76.2 6.05 -8.96 -0.52 0
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148537 53788202 1 C23H42 A23B42 -80.91 0.02 -10.01 3.77 0
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148538 53788203 1 C11H26 A11B26 -65.14 0.04 -10.58 4.27 0
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148540 53788206 1 B2C19H28 A2B19C28 115.56 1.99 -6.99 -0.15 0
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148541 53788207 1 B2C21H42 A2B21C42 -110.47 0.46 -9.35 0.32 0
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148542 53788208 1 ON3C31H35 AB3C31D35 71.43 2.66 -7.82 -0.3 0
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148543 53788209 1 ON3C10H17 AB3C10D17 -22.66 2.69 -9.43 0.43 0
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148544 53788210 1 NO3C11H17 AB3C11D17 -127.22 5.94 -9.44 0.07 0
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148545 53788211 1 ON3C5H9 AB3C5D9 -14.85 4.79 -9.99 0.17 0
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148546 53788212 1 ON3H7C10 AB3C7D10 70.22 5.51 -8.59 -1.26 0
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148547 53788213 1 NO2C14H23 AB2C14D23 -94.05 3.18 -8.56 0.04 1
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148548 53788214 1 NOH12C15 ABC12D15 63.61 3.85 0.0 0.0 0
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148549 53788215 1 SiC32H46 AB32C46 -38.29 1.75 -8.13 0.33 0
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148550 53788216 1 O16C37H52 A16B37C52 -619.57 1.71 -9.97 -0.61 0
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148551 53788217 3 OC9H18 AB9C18 -215.09 1.63 -9.66 1.13 0
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148552 53788218 1 O3C23H42 A3B23C42 -183.3 4.54 -9.7 1.14 0
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148553 53788220 2 NC4H8 AB4C8 -1.11 4.66 -8.61 1.03 0
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148554 53788221 1 OSN2C13H24 ABC2D13E24 -67.89 2.8 -8.85 0.28 0
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148555 53788222 1 NC11H23 AB11C23 -30.53 1.32 -8.33 3.0 0
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148556 53788223 2 C2H2N3 A2B2C3 136.3 4.1 -10.36 -1.43 0
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148557 53788224 1 NOH9C13 ABC9D13 84.0 8.5 -8.06 -1.43 0
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148558 53788225 1 N5C7H9 A5B7C9 79.45 3.85 -8.78 0.2 0
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148559 53788226 1 N6O6C21H26 A6B6C21D26 -130.86 4.66 -9.12 -1.66 0
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148560 53788227 4 C5P5H14 A5B5C14 -181.93 2.58 -8.43 1.14 0
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148561 53788228 1 N2O4F7C32H51 A2B4C7D32E51 -610.97 4.68 -9.74 -0.41 0
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148562 53788229 1 IOC10H19 ABC10D19 -52.0 1.67 -9.59 -0.71 0
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148563 53788230 1 NOC28H39 ABC28D39 -64.96 1.61 -8.46 0.59 0
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148564 53788231 1 O2N4C23H28 A2B4C23D28 8.51 2.85 -8.82 -0.59 0
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148565 53788232 2 NC4H7 AB4C7 9.43 3.39 -9.46 0.85 0
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148566 53788233 1 N2C15H20 A2B15C20 15.86 1.91 -8.21 0.23 0
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148567 53788235 1 ON4C12H12 AB4C12D12 20.14 5.77 -9.03 -0.55 0
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148568 53788236 1 ON3C11H13 AB3C11D13 24.75 2.46 -8.72 0.12 1
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148569 53788237 1 SN5H12C14 AB5C12D14 141.51 2.9 0.0 0.0 0
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148570 53788238 1 O2S2N3H15C18 A2B2C3D15E18 32.04 7.36 -8.59 -0.91 0
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148571 53788239 1 N3C6H13 A3B6C13 26.52 1.31 -9.62 0.35 0
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148572 53788240 1 N4C7H14 A4B7C14 33.09 3.43 -9.43 0.54 0
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148573 53788241 1 C31H36 A31B36 54.35 0.51 -8.83 0.24 0
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148574 53788242 1 SH4N4C5 AB4C4D5 105.66 3.51 -9.48 -1.47 0
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148575 53788243 1 SiC36H52 AB36C52 -14.16 2.48 -8.09 0.28 1
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148576 53788244 1 ON4C31H41 AB4C31D41 83.88 2.7 0.0 0.0 0