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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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147473 53787129 1 NSO5C6H14 ABC5D6E14 -202.31 6.55 0.0 0.0 0
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147474 53787130 2 C10H17 A10B17 -51.91 0.17 -8.85 0.61 0
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147475 53787131 1 ClNSO3C6H6 ABCD3E6F6 -105.94 3.3 -9.36 -0.95 0
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147476 53787132 1 SO2C12H22 AB2C12D22 -110.68 2.79 -8.53 0.56 0
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147477 53787133 1 P2O11H14C20 A2B11C14D20 -504.98 4.56 -9.46 -0.99 0
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147478 53787134 1 ClN2O6C18H19 AB2C6D18E19 -159.2 2.81 -9.8 -1.36 0
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147479 53787135 1 O3H16C20 A3B16C20 -45.16 5.14 -8.35 -0.95 0
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147480 53787136 1 O3H16C20 A3B16C20 -35.41 4.81 -8.24 -0.83 0
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147481 53787137 1 OSN3C8H15 ABC3D8E15 -29.19 2.26 -9.19 -0.23 0
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147482 53787138 2 ON3C16H22 AB3C16D22 -56.8 4.01 -9.66 -0.48 0
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147483 53787139 1 SN2O8C33H48 AB2C8D33E48 -371.67 6.77 -8.43 -0.52 2
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147484 53787140 2 O2N3H11C12 A2B3C11D12 141.66 3.77 -7.0 -1.2 1
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147485 53787141 1 NPO4C6H13 ABC4D6E13 -180.03 5.02 0.0 0.0 0
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147486 53787142 1 NO2C12H13 AB2C12D13 -20.04 7.77 -8.76 -0.47 0
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147487 53787143 1 OSiF3C31H43 ABC3D31E43 -240.89 4.64 -9.16 -0.58 0
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147488 53787144 1 SN3O4C18H21 AB3C4D18E21 -106.96 6.25 -9.78 -0.92 0
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147489 53787145 1 ClN2O3C24H27 AB2C3D24E27 -85.22 2.45 -8.94 -0.78 0
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147490 53787146 1 SN4C10H18 AB4C10D18 43.81 4.15 -8.99 -0.64 0
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147491 53787147 1 P2C12O17H24 A2B12C17D24 -868.08 6.77 -10.71 -1.06 0
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147492 53787148 1 O3C20H38 A3B20C38 -225.4 2.19 -10.21 0.52 0
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147493 53787149 1 ClSN5O8H30C31 ABC5D8E30F31 -154.54 7.49 -9.3 -0.65 0
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147494 53787150 1 N3O5C9H13 A3B5C9D13 -195.91 7.96 -9.46 -0.54 0
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147495 53787151 3 O7H16C24 A7B16C24 -519.64 2.78 -8.28 -0.81 0
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147496 53787152 1 FN2C25H25 AB2C25D25 45.51 3.29 -9.01 -0.66 0
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147497 53787153 1 NSCl2C18H27 ABC2D18E27 -22.63 3.16 -8.69 -0.16 0
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147498 53787154 1 O2C19H26 A2B19C26 -56.5 3.34 -8.56 0.1 0
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147499 53787155 1 NO3C11H21 AB3C11D21 -143.74 2.47 -9.87 0.35 0
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147500 53787156 2 NO2C13H16 AB2C13D16 -150.36 7.16 -7.81 -0.2 0
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147501 53787157 1 BrO3N4H23C26 AB3C4D23E26 34.67 7.33 -8.76 -1.24 0
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147502 53787158 2 N2H17C22 A2B17C22 214.46 1.14 -7.63 -0.94 0
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147503 53787159 1 N2O3C21H24 A2B3C21D24 -89.58 4.9 -9.29 0.11 0
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147504 53787160 1 NS2O4C21H25 AB2C4D21E25 -125.44 6.04 -8.15 -0.99 0
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147505 53787161 1 NO2C24H43 AB2C24D43 -163.14 3.76 -8.98 0.52 0
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147506 53787162 1 ClNO3C26H40 ABC3D26E40 -171.82 5.84 -9.58 -0.87 0
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147507 53787163 1 O5C16H26 A5B16C26 -214.17 2.79 -9.19 0.36 0
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147508 53787164 1 FN2S2O6H11C14 AB2C2D6E11F14 -220.21 8.38 -9.76 -1.26 0
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147509 53787165 1 ON4C28H34 AB4C28D34 75.11 3.11 -8.37 -0.86 0
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147510 53787166 1 ON4H22C24 AB4C22D24 106.22 2.16 -8.21 -0.89 0
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147511 53787167 3 NOC9H9 ABC9D9 -43.98 4.17 -8.38 -0.16 0
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147512 53787168 1 SiO2C8H16 AB2C8D16 -142.54 2.92 -10.02 -0.19 0
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147513 53787169 1 N3O8C39H49 A3B8C39D49 -318.66 4.82 -9.01 -0.08 0
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147514 53787170 1 ClSO4H11C15 ABC4D11E15 -107.73 4.79 -8.84 -1.04 0
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147515 53787171 2 SN4O7C21H24 AB4C7D21E24 -505.01 9.21 -9.64 -1.24 0
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147516 53787172 1 N2O7C14H20 A2B7C14D20 -307.04 6.92 -10.22 -1.2 0
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147517 53787173 1 INO2C8H10 ABC2D8E10 -50.93 1.49 -8.86 -1.63 0
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147518 53787174 1 SO2N3C17H23 AB2C3D17E23 -53.92 2.2 -8.96 -0.41 0
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147519 53787175 1 NO2C31H31 AB2C31D31 -5.56 2.79 -7.63 0.17 0
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147520 53787176 1 O2N4C7H16 A2B4C7D16 -66.63 5.77 -9.36 0.7 0
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147521 53787177 1 O5C12H12 A5B12C12 -181.42 3.86 -10.35 -1.35 0
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147522 53787178 1 ClO3N5H22C24 AB3C5D22E24 11.46 9.07 -8.61 -1.22 0
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147523 53787179 1 ClOF3H12C13 ABC3D12E13 -193.9 5.47 -10.16 -1.27 0
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147524 53787180 1 N4O5H30C41 A4B5C30D41 80.6 8.17 -8.55 -2.85 0
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147525 53787181 1 O6N7C40H57 A6B7C40D57 -225.41 3.86 -9.41 -0.55 0
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147526 53787182 1 FSO3N5C22H32 ABC3D5E22F32 -171.84 2.34 -8.74 -0.55 0
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147527 53787183 1 NO2C7H15 AB2C7D15 -109.23 4.35 -9.67 1.13 0
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147528 53787184 1 Cl2O3H12C16 A2B3C12D16 -102.01 2.15 -9.63 -0.51 1
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147529 53787185 1 N2S4O6H23C29 A2B4C6D23E29 -106.85 4.96 0.0 0.0 0
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147530 53787186 2 Si2C7H13 A2B7C13 -75.06 0.77 -7.73 0.16 0
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147531 53787187 1 OH26C32 AB26C32 81.92 2.77 -9.01 -0.46 0
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147532 53787188 1 FN3O3C19H20 AB3C3D19E20 -81.79 3.91 -9.0 -0.68 0
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147533 53787189 1 NCl2O2H9C12 AB2C2D9E12 -51.98 3.76 -9.13 -1.2 0
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147534 53787190 2 NOC4H6 ABC4D6 -103.06 5.63 -9.87 0.12 0
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147535 53787191 1 O2C17H30 A2B17C30 -127.67 5.68 -10.06 -0.28 0
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147536 53787192 2 OF3C4H4 AB3C4D4 -405.48 4.52 -11.5 -0.88 0
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147537 53787193 1 O3C12H26 A3B12C26 -179.12 1.39 -9.76 1.98 0
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147538 53787194 1 S2N3O9C18H19 A2B3C9D18E19 -307.43 4.1 -9.64 -1.46 0
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147539 53787195 1 OF4C7H10 AB4C7D10 -272.58 3.06 -11.26 0.54 0
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147540 53787196 1 F2Cl3N3O3H10C13 A2B3C3D3E10F13 -186.32 4.21 -8.69 -1.4 0
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147541 53787197 1 SN7C21H21 AB7C21D21 191.56 2.73 -8.83 -0.92 0
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147542 53787198 1 ClN3O3C27H38 AB3C3D27E38 -166.72 7.43 -9.41 -0.6 0
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147543 53787199 1 N3O5H15C19 A3B5C15D19 29.27 9.14 -9.2 -2.19 0
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147544 53787200 1 SN3O3C10H15 AB3C3D10E15 -82.36 2.33 -8.64 -0.9 0
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147545 53787201 1 SN2F3O8H17C18 AB2C3D8E17F18 -453.84 5.09 -9.78 -1.69 0
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147546 53787202 1 O10C63H110 A10B63C110 -514.54 5.25 -9.19 -0.09 0
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147547 53787203 1 SO3C44H90 AB3C44D90 -312.98 3.3 -8.81 -0.45 0
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147548 53787204 1 SN2O2C10H18 AB2C2D10E18 -91.06 4.17 -8.88 0.13 0
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147549 53787205 2 NO2C14H16 AB2C14D16 -99.96 6.37 -9.04 -0.52 0
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147550 53787206 1 NOC10H15 ABC10D15 -35.11 1.22 -9.19 0.51 0
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147551 53787207 1 NO4H13C16 AB4C13D16 -119.69 5.66 -9.1 -0.86 0
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147552 53787208 1 S2N4O6C15H20 A2B4C6D15E20 -117.22 4.8 -9.25 -1.47 0
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147553 53787209 1 ON4C20H22 AB4C20D22 42.01 3.38 -9.33 -0.54 0
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147554 53787210 2 FOC7H10 ABC7D10 -185.95 3.07 -8.74 0.02 1
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147555 53787211 1 S3N16O23C92H161 A3B16C23D92E161 -1010.9 11.4 0.0 0.0 1
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147556 53787212 1 SN8O11C40H65 AB8C11D40E65 -336.31 10.87 0.0 0.0 0
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147557 53787213 1 NO4C9H9 AB4C9D9 -137.81 5.54 -9.6 -1.27 0
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147558 53787214 1 O3N4C33H40 A3B4C33D40 -79.53 2.83 -9.14 0.12 0
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147559 53787215 1 SN3O5C25H33 AB3C5D25E33 -149.65 5.02 -8.3 -0.32 0
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147560 53787216 1 ON3C9H15 AB3C9D15 -2.88 5.42 -9.23 -0.42 0
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147561 53787217 1 N2O7C23H26 A2B7C23D26 -240.81 4.65 -8.82 -0.9 0
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147562 53787218 1 SN2O6C18H18 AB2C6D18E18 -115.32 8.57 -9.54 -1.44 0
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147563 53787219 1 ClO2S2H9C10 AB2C2D9E10 -25.28 5.76 -9.4 -1.01 0
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147564 53787220 1 SN3O4C28H31 AB3C4D28E31 -76.28 4.58 -8.01 -0.66 0
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147565 53787221 1 N2S2O5H16C19 A2B2C5D16E19 -125.91 3.31 -9.02 -1.11 0
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147566 53787222 1 ClNSO4H14C15 ABCD4E14F15 -92.37 4.98 -8.79 -0.79 0
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147567 53787223 1 ClC19H27 AB19C27 -19.73 2.37 -8.99 0.47 0
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147568 53787224 1 SO4C24H28 AB4C24D28 -124.73 1.35 -7.86 -0.6 0
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147569 53787225 1 FNO2C20H20 ABC2D20E20 -40.56 0.73 -8.41 -0.66 0
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147570 53787226 1 OSN2C16H20 ABC2D16E20 -16.42 3.68 -8.67 -0.69 0
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147571 53787227 1 NOSC10H17 ABCD10E17 -19.64 2.34 -8.63 0.55 0
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147572 53787228 1 NSO2C16H27 ABC2D16E27 -90.74 3.04 -9.34 -0.17 0