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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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