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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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57120 22395362 1 NOC11H21 ABC11D21 -47.18 1.26 -9.08 1.27 0
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57121 22395363 1 FO2C14H17 AB2C14D17 -108.86 1.07 -9.76 -0.18 0
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57122 22395364 1 FO2C12H13 AB2C12D13 -123.24 1.07 -9.78 -0.2 0
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57123 22395365 1 NOC13H17 ABC13D17 -0.67 0.94 -9.18 0.36 0
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57124 22395366 1 FO3C14H15 AB3C14D15 -169.72 3.0 -9.9 -0.32 0
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57125 22395367 1 NOC10H17 ABC10D17 -26.62 1.17 -9.15 1.24 0
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57126 22395368 1 O3C8H10 A3B8C10 -126.3 3.48 -10.56 -0.39 0
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57127 22395369 1 NSO4C12H15 ABC4D12E15 -135.25 6.58 -9.53 -0.63 0
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57128 22395370 1 O3C12H20 A3B12C20 -169.8 4.48 -9.99 0.6 0
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57129 22395371 1 NO4C11H17 AB4C11D17 -193.32 4.01 -9.84 0.41 0
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57130 22395372 1 O5H10C12 A5B10C12 -147.92 6.02 -9.2 -0.85 0
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57131 22395373 1 FO6C14H19 AB6C14D19 -305.14 4.02 -9.86 -0.47 0
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57132 22395375 1 S3C8H18 A3B8C18 -31.12 2.95 -8.9 0.24 0
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57133 22395376 1 NO2P2H7 AB2C2D7 -127.81 1.29 -9.61 1.26 0
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57134 22395378 1 NO3C16H17 AB3C16D17 -98.28 3.68 -9.19 -0.76 -1
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57135 22395379 1 NO4C11H18 AB4C11D18 -98.25 1.61 0.0 0.0 0
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57136 22395381 1 NP2H5 AB2C5 -13.81 2.24 -8.91 1.65 -1
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57137 22395382 1 NO4C11H18 AB4C11D18 -178.05 2.79 0.0 0.0 0
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57138 22395384 1 NO4C18H25 AB4C18D25 -160.49 3.14 -9.48 0.22 0
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57139 22395386 2 NOC7H7 ABC7D7 68.1 2.97 -9.42 -0.42 0
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57140 22395387 2 NH4C8 AB4C8 124.76 7.17 -9.15 -2.01 0
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57141 22395389 2 O2C5H7 A2B5C7 -175.65 6.19 -10.7 -0.13 1
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57142 22395390 1 NaSO5C8H16 ABC5D8E16 -222.32 4.39 0.0 0.0 0
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57143 22395391 1 O3C9H14 A3B9C14 -66.51 3.16 -10.3 -0.55 0
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57144 22395392 1 O3C9H14 A3B9C14 -66.46 2.58 -10.26 -0.51 1
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57145 22395394 1 NaO2C6H12 AB2C6D12 -91.1 3.24 0.0 0.0 0
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57146 22395395 2 OC4H6 AB4C6 -74.08 2.68 -8.41 1.15 -1
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57147 22395396 1 O3C9H13 A3B9C13 -114.29 2.28 0.0 0.0 0
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57148 22395397 1 O3C9H14 A3B9C14 -137.73 6.35 -10.4 0.77 -1
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57149 22395398 1 KC2O3H4 AB2C3D4 -129.13 4.17 0.0 0.0 -1
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57151 22395400 1 KC3O5H6 AB3C5D6 -252.58 5.25 0.0 0.0 0
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57152 22395401 1 NO3C5H7 AB3C5D7 -119.65 1.76 -10.25 -0.62 0
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57153 22395402 1 N2O3C7H12 A2B3C7D12 -40.81 3.0 -9.62 0.12 0
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57154 22395403 1 NSO4H17C18 ABC4D17E18 -107.68 4.93 -8.9 -0.52 0
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57155 22395404 1 NO5H23C25 AB5C23D25 -132.02 5.68 -9.12 -0.48 0
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57156 22395405 1 NSO2C9H11 ABC2D9E11 -67.55 2.21 -9.38 -0.62 0
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57157 22395406 1 ClO2C8H9 AB2C8D9 -74.79 4.34 -9.85 -0.62 0
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57158 22395408 1 ClNOC2H4 ABCD2E4 -36.03 1.42 -9.98 -0.71 0
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57159 22395409 1 BrNOC2H4 ABCD2E4 -35.52 2.21 -9.78 -1.0 0
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57160 22395411 1 Rh2F3P3O6 A2B3C3D6 -512.89 11.99 -9.66 -5.75 0
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57161 22395413 2 O3C14H17 A3B14C17 -231.29 3.07 -9.1 -0.3 0
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57162 22395414 2 O3C16H21 A3B16C21 -230.08 3.64 -9.07 -0.3 0
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57163 22395415 2 O3C20H29 A3B20C29 -269.48 0.45 -9.01 -0.32 0
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57164 22395416 1 O6C15H16 A6B15C16 -245.29 2.26 -8.99 -0.33 0
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57165 22395418 2 O3C16H21 A3B16C21 -232.75 1.56 -9.02 -0.24 0
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57166 22395419 2 O3C20H29 A3B20C29 -255.53 2.33 -8.91 -0.24 0
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57167 22395421 2 O3C14H17 A3B14C17 -221.43 4.05 -9.07 -0.22 0
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57168 22395422 2 O3C12H13 A3B12C13 -222.38 3.64 -9.01 -0.52 0
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57169 22395423 6 C3H5 A3B5 -42.06 0.22 -8.89 0.58 0
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57170 22395424 2 O3C18H25 A3B18C25 -248.74 1.59 -8.86 -0.21 0