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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392155 135013409 1 OC7H11 AB7C11 -4.29 2.13 0.0 0.0 0
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392156 135013415 1 NSiO2C20H27 ABC2D20E27 -105.94 3.63 -8.5 -0.35 0
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392157 135013420 1 H22C23 A22B23 114.87 1.19 -8.73 -0.07 0
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392158 135013421 1 C27H32 A27B32 69.77 1.38 -8.72 -0.01 0
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392159 135013443 1 SiO2C21H40 AB2C21D40 -166.08 0.88 -8.82 0.54 0
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392160 135013444 1 SiO2C18H34 AB2C18D34 -149.8 0.88 -8.9 0.22 0
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392161 135013445 1 OH18C20 AB18C20 74.14 3.81 -9.07 -0.83 0
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392162 135013446 1 OH20C23 AB20C23 26.1 1.52 -8.69 -0.6 0
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392163 135013461 2 NH7C12 AB7C12 164.72 5.61 -8.56 -1.56 0
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392164 135013464 1 PN2O6C21H33 AB2C6D21E33 -316.73 4.33 -8.56 0.36 0
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392165 135013465 1 N2O5C15H20 A2B5C15D20 -192.81 3.4 -9.73 -0.5 0
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392166 135013476 1 NO2C17H19 AB2C17D19 -2.46 4.65 -9.25 -0.23 0
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392167 135013479 1 O4C15H22 A4B15C22 -156.48 3.48 -9.39 -0.03 0
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392168 135013481 2 TeC9H12 AB9C12 14.18 2.03 -8.06 -0.45 0
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392169 135013492 2 OC6H7 AB6C7 -40.67 1.34 -8.84 -0.19 0
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392170 135013527 2 OC13H14 AB13C14 0.3 2.39 -9.09 -0.34 0
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392171 135013528 1 OC26H26 AB26C26 101.49 3.83 -9.03 -0.84 0
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392172 135013529 1 NO4C24H27 AB4C24D27 -124.29 2.58 -9.26 0.07 0
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392173 135013538 1 O3C21H32 A3B21C32 -163.34 1.64 -8.39 -0.11 0
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392174 135013542 1 ClN3O3H14C19 AB3C3D14E19 27.17 5.7 -8.82 -1.55 0
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392175 135013543 3 NOC5H5 ABC5D5 -14.5 6.55 -8.91 -1.2 0
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392177 135013545 1 LiC14H21 AB14C21 26.81 6.46 -7.91 0.89 0
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392178 135013551 1 O2N3H25C27 A2B3C25D27 27.64 4.01 -8.66 -0.58 0
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392179 135013553 1 SeC10H12 AB10C12 28.95 1.71 -8.5 -0.11 -1
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392180 135013554 1 NO3H16C18 AB3C16D18 -8.57 1.84 0.0 0.0 0
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392181 135013555 1 NO3H17C18 AB3C17D18 -56.15 2.63 -9.47 -0.53 0
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392182 135013556 1 NO3H17C18 AB3C17D18 -66.61 3.63 -9.34 -0.23 0
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392183 135013557 1 NO6H19C21 AB6C19D21 -152.86 3.62 -8.76 -1.03 0
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392184 135013558 1 NO7C21H21 AB7C21D21 -196.67 6.82 -8.53 -0.32 0
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392186 135013562 1 SiN2O7C30H40 AB2C7D30E40 -321.34 8.99 -9.08 -0.7 0
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392187 135013567 1 SnO2C21H42 AB2C21D42 -101.32 2.76 -9.38 0.98 1
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392188 135013579 1 N2O3C30H43 A2B3C30D43 -107.97 3.69 0.0 0.0 0
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392189 135013580 1 BON2C15H27 ABC2D15E27 -103.1 5.23 -8.71 -0.14 0
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392190 135013583 1 NSiO5C32H55 ABC5D32E55 -307.13 2.39 -8.8 -0.18 0
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392191 135013584 1 SO5C15H16 AB5C15D16 -165.88 10.93 -10.51 -0.9 0
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392192 135013591 1 NF3O4C15H18 AB3C4D15E18 -240.01 2.02 -10.22 -0.25 0
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392193 135013599 1 SN2O4H6C10 AB2C4D6E10 45.37 7.35 -10.07 -2.0 0
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392194 135013607 1 O5C19H30 A5B19C30 -233.6 3.25 -9.64 0.07 0
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392195 135013628 1 ON6H34C47 AB6C34D47 206.68 7.95 -8.78 -0.96 0
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392196 135013643 2 NOC11H14 ABC11D14 -23.73 4.1 -8.51 0.23 0
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392197 135013645 2 N2F3O15H41C44 A2B3C15D41E44 -1388.88 10.18 -8.23 -1.91 0
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392198 135013652 1 NSiO5C21H35 ABC5D21E35 -252.77 1.27 -8.85 0.04 0
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392199 135013654 1 SO2N3H17C18 AB2C3D17E18 74.63 4.03 -8.83 -0.61 0
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392200 135013655 1 O2S2N3H23C24 A2B2C3D23E24 61.16 2.65 -8.53 -0.52 0
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392201 135013662 1 PSiO11C41H69 ABC11D41E69 -600.26 3.87 -8.87 -0.23 0
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392202 135013663 1 SiO7C39H62 AB7C39D62 -347.17 3.68 -9.01 -0.3 0
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392203 135013664 1 INO2H18C26 ABC2D18E26 69.76 6.24 -9.53 -1.39 0
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392204 135013666 1 Br4N4H7F15C37 A4B4C7D15E37 -321.63 4.67 -9.34 -2.24 0
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392205 135013679 1 Si2O3C25H50 A2B3C25D50 -243.66 3.57 -8.78 0.94 0
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392206 135013680 1 O4C13H22 A4B13C22 -188.77 1.94 -9.74 0.93 0
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392207 135013682 1 SiN3O5C19H27 AB3C5D19E27 -164.86 2.38 -9.18 -0.32 0
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392208 135013685 1 Si2N3O5C24H37 A2B3C5D24E37 -185.38 4.4 -9.04 0.0 0
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392209 135013687 1 N4O7C29H38 A4B7C29D38 -259.09 6.77 -9.44 0.05 0
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392210 135013688 1 N4O6C29H36 A4B6C29D36 -200.67 3.46 -9.46 -0.17 0
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392211 135013689 1 O2Si3C31H64 A2B3C31D64 -266.74 1.57 -8.8 1.01 0
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392212 135013693 1 N3O3H19C21 A3B3C19D21 -32.52 6.0 -9.14 -1.2 0
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392213 135013705 1 SN2O26C41H56 AB2C26D41E56 -1178.29 7.74 -8.81 -0.05 0
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392214 135013706 1 SN3O13C27H35 AB3C13D27E35 -546.72 6.94 -8.86 -0.34 0
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392215 135013707 1 SN3O13H43C47 AB3C13D43E47 -401.78 2.92 -8.5 -0.84 1
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392216 135013716 1 PSN2C20H26 ABC2D20E26 -22.88 5.6 0.0 0.0 0
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392217 135013720 1 N2F3O4H29C30 A2B3C4D29E30 -259.09 9.29 -7.88 -0.77 0
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392218 135013725 1 PO3H31C40 AB3C31D40 20.1 1.42 -8.27 -0.59 0
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392219 135013751 1 NO2C15H15 AB2C15D15 -4.66 3.13 -9.04 0.2 0
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392220 135013752 1 O5H18C20 A5B18C20 -139.03 6.61 -10.17 -1.04 0
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392221 135013753 2 OC6H9 AB6C9 -75.07 3.88 -10.08 -0.34 0
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392222 135013754 1 ON2C19H28 AB2C19D28 -25.12 1.13 -8.68 0.17 0
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392223 135013755 1 NO3C8H13 AB3C8D13 -61.95 2.19 -10.34 -0.55 0
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392224 135013758 1 OF5H9C17 AB5C9D17 -198.62 2.18 -9.15 -1.36 0
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392225 135013771 2 N2O4C7H10 A2B4C7D10 -284.89 2.34 -10.2 -0.38 0
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392226 135013797 1 NO3C18H21 AB3C18D21 -94.82 6.53 -9.45 -0.37 0
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392227 135013803 1 SiO5C22H34 AB5C22D34 -245.96 8.17 -8.81 -0.55 0
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392229 135013805 1 ON2C22H24 AB2C22D24 15.3 4.26 -8.3 0.27 0
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392231 135013807 1 ON2C22H24 AB2C22D24 92.62 4.24 -8.43 0.15 0
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392232 135013808 1 NO7C16H27 AB7C16D27 -350.06 2.95 -9.96 0.01 0
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392233 135013809 1 O3C22H34 A3B22C34 -188.1 3.13 -9.88 0.76 0