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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407513 135080258 1 N2H12C13 A2B12C13 65.33 4.25 -8.73 0.21 0
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407514 135080259 1 SN2O2C10H16 AB2C2D10E16 -22.43 9.32 -7.84 0.15 0
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407515 135080260 1 ClN2H11C14 AB2C11D14 64.01 3.34 -8.58 -0.7 0
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407516 135080261 3 C5H6 A5B6 108.1 0.47 -8.91 0.03 0
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407518 135080263 1 BrC12H23 AB12C23 -35.63 1.86 -10.1 -0.03 0
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407519 135080265 1 SiN2C12H14 AB2C12D14 41.27 6.71 -9.87 -0.38 0
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407520 135080266 1 FO3C14H15 AB3C14D15 -158.9 8.66 -9.29 -0.9 0
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407521 135080267 1 NO4C11H17 AB4C11D17 -136.84 3.96 -9.33 0.62 1
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407522 135080268 1 N3C8H8 A3B8C8 73.5 3.93 0.0 0.0 0
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407523 135080269 1 ClSN2H9C10 ABC2D9E10 64.83 3.91 -8.98 -0.36 1
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407524 135080270 1 OSN2C10H11 ABC2D10E11 27.65 3.0 0.0 0.0 1
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407525 135080271 1 NC10H14 AB10C14 20.81 2.51 0.0 0.0 0
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407526 135080272 1 NOC15H17 ABC15D17 21.62 4.14 -8.8 -0.05 0
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407527 135080273 1 NO2H11C13 AB2C11D13 -26.61 6.64 -8.39 -1.29 0
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407528 135080274 1 OS2H10C13 AB2C10D13 56.71 3.42 -8.69 -0.49 0
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407529 135080276 1 OSH12C14 ABC12D14 21.09 1.22 -8.48 -0.46 0
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407530 135080277 1 SN2C15H16 AB2C15D16 43.68 1.51 -8.36 -0.59 0
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407531 135080278 1 SN2H10C12 AB2C10D12 60.21 7.49 -8.08 -0.74 0
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407532 135080279 1 NSC11H13 ABC11D13 35.69 3.95 -9.45 -0.67 0
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407533 135080280 1 PO4C11H23 AB4C11D23 -270.25 3.28 -9.9 1.06 0
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407534 135080281 1 OC14H28 AB14C28 -89.86 2.16 -10.07 1.31 0
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407535 135080282 1 O3C14H22 A3B14C22 -112.79 2.8 -10.07 0.58 0
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407536 135080283 1 OS2C8H16 AB2C8D16 -48.57 4.71 -8.22 0.49 0
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407537 135080284 1 N2H14C15 A2B14C15 61.2 1.96 -8.7 -0.27 0
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407539 135080286 1 BO3C13H25 AB3C13D25 -248.18 5.11 -9.79 0.99 0
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407540 135080287 1 OC9H12 AB9C12 3.2 1.93 -8.6 1.17 0
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407541 135080288 1 N2H12C13 A2B12C13 98.58 2.44 -9.22 -0.26 0
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407542 135080289 2 O2C4H5 A2B4C5 -155.74 5.92 -10.16 -0.08 0
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407543 135080290 1 NF3O3H8C10 AB3C3D8E10 -158.33 3.45 -10.24 -1.7 0
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407544 135080291 1 N4H8C9 A4B8C9 83.51 8.07 -8.84 -0.65 0
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407545 135080292 1 FC9H11 AB9C11 -40.22 1.65 -9.53 0.23 0
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407546 135080293 1 SO5C9H14 AB5C9D14 -185.81 2.56 -10.55 -0.01 0
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407547 135080294 1 FNO2C7H8 ABC2D7E8 -88.5 3.68 -11.46 -0.3 0
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407548 135080295 1 FOC14H21 ABC14D21 -112.83 2.17 -9.04 0.46 0
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407549 135080296 1 ClO2C12H19 AB2C12D19 -120.88 2.08 -10.31 -0.05 0
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407550 135080297 1 ClNO2F3H7C9 ABC2D3E7F9 -164.21 5.74 -10.81 -1.66 0
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407551 135080298 1 O3N5C9H15 A3B5C9D15 -39.75 4.69 -8.72 -0.82 0
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407552 135080299 2 NOH6C7 ABC6D7 23.68 2.97 -8.4 -0.45 0
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407553 135080300 1 O3C12H14 A3B12C14 -117.34 4.34 -10.29 -0.92 0
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407554 135080301 1 NO3H11C12 AB3C11D12 -88.24 4.84 -9.67 -1.53 0
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407555 135080302 1 ClO2C11H13 AB2C11D13 -63.34 4.22 -8.83 -0.24 0
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407556 135080303 2 C5H8 A5B8 -1.33 0.49 -8.95 1.11 0
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407557 135080304 1 BrF3C10H12 AB3C10D12 -144.94 4.45 -10.3 -1.02 1
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407558 135080305 1 NO2C8H18 AB2C8D18 -103.3 3.05 0.0 0.0 0
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407559 135080306 1 PO4C6H15 AB4C6D15 -254.77 4.27 -10.35 1.25 -1
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407561 135080308 2 OC6H9 AB6C9 -72.4 2.27 -9.3 0.16 0
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407562 135080309 1 C13H18 A13B18 9.89 0.93 -8.94 0.15 0
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407563 135080310 1 FNOC12H12 ABCD12E12 -77.95 6.1 -8.94 -0.13 0
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407564 135080311 1 SN2O2C11H18 AB2C2D11E18 -35.38 7.38 -7.97 0.11 0
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407565 135080312 1 N2O3C12H14 A2B3C12D14 -82.91 11.44 -8.28 -1.14 0