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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392346 135014616 1 BrOC8H11 ABC8D11 -40.8 5.21 -9.95 -0.34 0
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392347 135014617 1 NOC12H19 ABC12D19 -1.92 1.72 -9.55 0.96 0
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392348 135014618 1 NO4C27H45 AB4C27D45 -171.83 4.33 -9.33 0.65 0
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392349 135014621 1 ClNO3H20C22 ABC3D20E22 -92.57 4.04 -9.09 -0.84 0
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392350 135014622 1 ON2C8H16 AB2C8D16 -43.58 1.72 -8.52 2.12 0
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392351 135014625 2 NSiO2C12H20 ABC2D12E20 -229.21 5.58 -8.5 -0.34 0
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392352 135014641 1 O6C41H60 A6B41C60 -278.58 4.25 -9.37 0.04 0
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392353 135014661 1 BrNO9C17H26 ABC9D17E26 -429.96 3.82 -9.98 -0.08 0
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392354 135014686 1 NO2C30H31 AB2C30D31 7.36 5.28 -8.49 0.04 0
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392355 135014692 1 ClO2C19H19 AB2C19D19 -55.91 1.51 -8.89 -0.27 0
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392356 135014694 1 NOC7H15 ABC7D15 -49.82 1.02 -8.86 2.17 0
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392358 135014714 1 ClNSO2C16H16 ABCD2E16F16 -38.79 5.34 -9.32 -0.52 0
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392359 135014715 1 NSO7C16H21 ABC7D16E21 -247.98 7.55 -9.89 -0.15 0
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392360 135014728 1 N3O6C26H41 A3B6C26D41 -313.09 5.52 -9.48 0.2 0
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392361 135014729 1 NOC16H27 ABC16D27 -33.26 1.0 -9.0 1.33 0
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392362 135014730 1 SN4O7C15H24 AB4C7D15E24 -254.44 4.95 -9.99 -0.5 0
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392363 135014733 1 F3O3H11C15 A3B3C11D15 -236.65 6.36 -9.76 -1.22 0
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392364 135014735 1 NO2C23H25 AB2C23D25 -24.67 3.82 -9.1 -0.07 0
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392365 135014766 1 NOSiC18H31 ABCD18E31 -87.37 2.23 -8.72 0.32 0
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392366 135014767 1 NSiO3C19H33 ABC3D19E33 -163.41 2.83 -7.77 0.25 2
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392367 135014788 1 ON4C42H82 AB4C42D82 -28.56 4.67 -2.38 -0.07 0
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392368 135014789 1 ON4C42H80 AB4C42D80 -143.06 5.69 -8.66 0.4 0
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392369 135014792 1 ON4C61H86 AB4C61D86 26.99 6.3 -7.97 -1.59 0
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392370 135014802 1 NO12C70H97 AB12C70D97 -530.91 8.17 -9.91 -0.72 0
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392371 135014803 1 ClNOH14C16 ABCD14E16 -0.92 2.0 -9.41 -0.06 0
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392372 135014804 1 NOH17C20 ABC17D20 25.45 1.52 -8.73 -0.33 0
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392373 135014815 1 O2C15H20 A2B15C20 -57.68 4.55 -9.39 -0.15 -1
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392374 135014866 1 TiO4C34H35 AB4C34D35 -73.55 4.5 0.0 0.0 0
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392375 135014944 1 O2C19H20 A2B19C20 -42.18 1.45 -8.21 0.15 0
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392376 135014945 2 NOC6H8 ABC6D8 -55.49 2.3 -9.13 -0.33 0
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392377 135014954 1 SiO3C24H32 AB3C24D32 -151.31 1.07 -9.0 -0.3 0
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392378 135015048 1 S2O8C25H28 A2B8C25D28 -276.29 5.05 -9.95 -0.8 0
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392379 135015050 1 N2O4C19H26 A2B4C19D26 -139.03 4.05 -8.2 0.03 0
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392380 135015057 1 O3C20H30 A3B20C30 -101.51 5.81 -9.64 0.62 -1
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392381 135015075 1 PSN4O5C10H20 ABC4D5E10F20 -270.05 2.47 0.0 0.0 0
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392382 135015107 1 SiO4C24H32 AB4C24D32 -194.8 1.71 -9.15 -0.03 0
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392383 135015126 1 N7O8H21C22 A7B8C21D22 -149.5 4.48 -9.58 -1.32 0
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392384 135015162 1 NSO2C19H27 ABC2D19E27 -106.03 3.88 -8.95 -0.02 0
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392385 135015184 1 O7C23H26 A7B23C26 -247.64 3.26 -9.43 0.02 0
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392386 135015188 1 OC19H20 AB19C20 23.91 2.15 -9.36 0.14 0
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392387 135015193 1 NSO2H23C24 ABC2D23E24 -22.59 2.14 -8.78 -0.33 0
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392388 135015222 1 NO3C21H23 AB3C21D23 -101.88 3.74 -8.77 -0.15 0
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392389 135015229 2 NOC11H11 ABC11D11 -17.39 3.82 -8.0 -0.05 0
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392390 135015286 1 O2C15H16 A2B15C16 -26.44 4.12 -9.58 -0.58 0
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392391 135015307 2 NOC8H9 ABC8D9 -2.58 3.11 -8.93 -0.09 0
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392392 135015309 2 O2C8H11 A2B8C11 -167.36 1.44 -8.88 0.12 0
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392393 135015330 1 O13C33H40 A13B33C40 -527.13 4.51 -9.28 -0.11 1
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392394 135015341 1 ON5F6H18C21 AB5C6D18E21 -255.61 6.47 0.0 0.0 0
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392395 135015342 1 NSO2H9C12 ABC2D9E12 -10.54 3.32 -8.92 -0.68 0
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392396 135015349 1 OF3N6C16H17 AB3C6D16E17 -135.74 3.05 -9.16 -0.91 0