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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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394098 135022323 1 ClNH14C19 ABC14D19 89.69 2.3 -8.79 -1.12 0
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394099 135022324 1 ClNH16C20 ABC16D20 79.38 3.57 -8.65 -0.96 0
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394100 135022325 1 NO2H13C17 AB2C13D17 -9.25 1.07 -8.97 -0.8 0
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394101 135022326 1 N2O7C27H32 A2B7C27D32 -290.94 7.06 -9.02 -0.58 0
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394102 135022327 1 N2O7C27H32 A2B7C27D32 -290.54 3.21 -8.73 -0.28 0
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394103 135022328 1 NO6C18H25 AB6C18D25 -248.12 4.62 -8.94 -0.32 0
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394104 135022329 1 N2O11C35H46 A2B11C35D46 -447.53 8.12 -8.75 -1.0 0
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394105 135022330 1 N2O7C28H34 A2B7C28D34 -287.53 1.2 -8.75 -0.31 0
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394106 135022331 1 N2O7C28H34 A2B7C28D34 -288.59 4.08 -8.84 -0.39 0
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394107 135022332 1 N2O7C27H32 A2B7C27D32 -292.99 3.92 -9.04 -0.59 0
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394108 135022333 1 N2O7C27H32 A2B7C27D32 -291.95 2.43 -8.85 -0.4 0
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394109 135022334 1 NO5C18H23 AB5C18D23 -157.33 3.82 -8.96 -0.3 0
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394110 135022359 1 NSH17C24 ABC17D24 101.35 1.16 -8.63 -0.86 0
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394111 135022360 4 OC4H6 AB4C6 -53.5 2.58 -9.64 1.2 0
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394112 135022361 4 OC4H6 AB4C6 -158.71 1.92 -9.04 0.77 0
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394113 135022362 1 O2N3H15C16 A2B3C15D16 -29.15 6.11 -9.21 -0.96 0
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394114 135022363 1 OS2C20H24 AB2C20D24 -5.92 3.16 -8.74 -0.36 0
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394115 135022372 2 NH2C4 AB2C4 176.53 2.62 -10.16 -1.35 0
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394116 135022377 1 OC15H28 AB15C28 -96.2 2.54 -10.11 2.82 0
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394117 135022378 1 N3O5C18H25 A3B5C18D25 -121.88 6.41 -9.76 -0.04 0
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394118 135022379 1 ON3C17H17 AB3C17D17 67.47 5.4 -9.46 -0.39 0
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394119 135022381 1 ON3C18H27 AB3C18D27 2.9 4.33 -9.61 -0.01 0
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394120 135022382 1 N3O3C20H23 A3B3C20D23 -23.04 5.24 -9.6 -0.12 0
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394121 135022383 1 NO2H15C18 AB2C15D18 -8.41 3.4 -8.18 -0.72 0
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394122 135022384 1 NO2H15C18 AB2C15D18 7.96 4.28 -8.33 -0.91 0
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394123 135022385 1 NO2H11C13 AB2C11D13 8.08 2.48 -9.07 -0.97 0
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394124 135022386 2 NC10H12 AB10C12 55.76 2.58 -8.37 0.36 0
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394125 135022387 1 NO9C21H31 AB9C21D31 -334.38 3.85 -10.02 -0.82 0
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394126 135022388 1 IO2C13H23 AB2C13D23 -93.7 2.13 -9.74 -0.75 0
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394127 135022389 1 SiO3C17H24 AB3C17D24 -155.65 5.78 -9.63 -0.11 -1
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394128 135022390 1 NiN2O2H23C28 AB2C2D23E28 123.86 5.91 0.0 0.0 0
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394129 135022392 1 N3O7C15H15 A3B7C15D15 -194.55 4.29 -10.01 -1.37 0
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394130 135022393 1 NO6H17C20 AB6C17D20 -109.5 0.58 -9.87 -1.58 0
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394131 135022401 1 Br2O2C15H20 A2B2C15D20 -44.68 1.65 -9.37 -0.67 0
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394132 135022402 1 Br2O2C15H20 A2B2C15D20 -51.39 0.66 -9.68 -0.71 0
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394133 135022403 1 NSiO5C30H51 ABC5D30E51 -244.04 4.03 -8.67 0.3 0
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394134 135022404 2 BrNO4H7C8 ABC4D7E8 -112.01 3.64 -9.75 -1.66 0
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394135 135022405 2 NO2C8H10 AB2C8D10 -117.54 3.17 -8.24 -0.09 0
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394136 135022406 2 N2O5C21H23 A2B5C21D23 -331.57 7.6 -8.7 -0.39 0
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394137 135022407 1 N3O7C29H33 A3B7C29D33 -226.21 0.98 -8.56 -0.3 0
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394138 135022408 1 SN3O9C36H39 AB3C9D36E39 -283.61 4.39 -8.75 -0.7 0
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394139 135022409 1 NO2C16H23 AB2C16D23 -79.08 0.83 -8.99 0.5 1
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394140 135022410 1 NOC10H17 ABC10D17 -42.61 1.54 -8.44 1.31 0
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394141 135022412 1 NO2S2C21H23 AB2C2D21E23 -18.02 5.38 -8.37 -0.56 0
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394142 135022413 1 NSiCl3O3C17H28 ABC3D3E17F28 -181.06 2.38 -8.86 -0.88 0
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394143 135022414 1 O6C25H32 A6B25C32 -230.97 1.59 -8.03 0.15 0
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394144 135022415 1 O6C25H32 A6B25C32 -233.01 1.38 -8.07 0.12 1
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394145 135022416 1 NOC10H16 ABC10D16 -28.49 0.79 0.0 0.0 0
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394146 135022417 1 N5C20H21 A5B20C21 115.94 5.27 -8.86 -0.72 0
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394147 135022418 1 I2F3H3C7 A2B3C3D7 -84.03 3.0 -9.85 -1.59 0