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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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145314 53497108 1 NO3H13C16 AB3C13D16 -55.99 0.64 -8.89 -0.83 0
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145315 53497213 1 OH16C18 AB16C18 13.99 1.6 -8.26 -0.41 1
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145316 53497313 1 PO4H32C35 AB4C32D35 -35.35 8.74 0.0 0.0 0
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145317 53497495 1 O3N6F7H19C25 A3B6C7D19E25 -310.82 10.9 -9.5 -1.05 0
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145318 53499560 4 NOC4H5 ABC4D5 -97.34 2.58 -9.06 -0.73 0
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145319 53499692 3 NOC5H7 ABC5D7 -109.55 4.78 -9.36 -0.41 0
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145320 53499909 1 SO3N5C13H13 AB3C5D13E13 -46.23 3.28 -8.97 -1.29 0
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145321 53499934 1 N3O3C18H19 A3B3C18D19 -77.39 4.95 -8.44 -0.06 0
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145322 53499935 1 OSN6C16H24 ABC6D16E24 38.26 3.38 -8.76 -0.41 0
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145323 53500165 1 N7C13H21 A7B13C21 102.46 6.95 -8.9 -1.28 0
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145324 53500177 1 ON6C15H16 AB6C15D16 71.29 1.97 -9.02 -1.01 0
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145325 53500178 1 SN6C14H18 AB6C14D18 120.23 6.79 -9.12 -0.92 0
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145326 53500179 1 N2O3C17H18 A2B3C17D18 -67.54 5.25 -8.99 -0.26 0
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145327 53500180 1 N2O4C19H26 A2B4C19D26 -169.36 4.54 -8.7 -0.01 0
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145328 53500890 1 N9C17H19 A9B17C19 162.6 8.26 -9.1 -1.38 0
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145329 53500961 1 ON5C17H21 AB5C17D21 34.68 6.68 -9.54 0.02 0
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145330 53501464 1 ON5C17H31 AB5C17D31 -36.02 3.97 -8.52 0.52 0
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145331 53501696 1 SN2O4C12H14 AB2C4D12E14 -76.93 6.02 -9.19 -0.71 0
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145332 53502003 1 ON4C18H30 AB4C18D30 -23.07 3.35 -8.72 0.27 0
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145333 53502004 1 FON5C18H24 ABC5D18E24 -30.76 4.58 -8.59 -0.39 0
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145334 53502542 1 SO3N4C15H30 AB3C4D15E30 -146.08 7.88 -8.9 0.45 0
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145335 53502543 1 O2N5C14H25 A2B5C14D25 -68.26 5.41 -8.9 0.48 0
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145336 53502600 1 FN6C17H19 AB6C17D19 59.31 3.23 -8.58 -0.26 0
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145337 53502998 1 ON5C17H27 AB5C17D27 -19.94 5.79 -8.55 -0.07 0
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145338 53502999 1 ON5C13H23 AB5C13D23 -13.37 3.05 -8.9 0.69 0
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145339 53503000 1 ON5C19H31 AB5C19D31 -26.03 4.86 -8.45 0.03 0
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145340 53503179 1 N2O5C16H20 A2B5C16D20 -119.29 1.87 -9.52 -1.06 0
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145341 53503394 1 SO2N5C14H19 AB2C5D14E19 -30.63 4.05 -9.6 -0.74 0
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145342 53503513 1 SO2N3C15H17 AB2C3D15E17 -52.52 4.56 -9.44 -1.41 0
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145343 53503724 1 SN3O3C17H21 AB3C3D17E21 -14.51 3.75 -8.89 -0.61 0
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145344 53504645 1 OSN7C15H17 ABC7D15E17 64.43 2.92 -8.76 -0.56 0
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145345 53504883 1 O3N4C15H20 A3B4C15D20 -70.67 4.27 -9.34 0.18 0
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145346 53504998 1 N3O4C18H25 A3B4C18D25 -136.05 6.06 -8.31 -0.26 0
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145347 53505241 1 ON5C13H19 AB5C13D19 34.72 8.62 -8.57 -1.45 0
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145348 53505242 1 ClSN3O3C14H16 ABC3D3E14F16 -86.04 6.96 -9.46 -1.46 0
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145349 53505274 1 OSN5C13H19 ABC5D13E19 14.78 5.43 -8.98 -0.29 0
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145350 53505480 1 N3O4C17H25 A3B4C17D25 -166.34 4.63 -8.78 0.03 0
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145351 53505600 1 N2O2C19H28 A2B2C19D28 -81.67 3.97 -9.11 0.42 0
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145352 53505726 2 ON2C7H11 AB2C7D11 -58.89 3.22 -9.14 -0.87 0
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145353 53506296 1 OF3N5C14H16 AB3C5D14E16 -144.44 2.67 -9.26 -0.77 0
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145354 53506297 1 OSN4C16H22 ABC4D16E22 0.27 5.23 -8.73 -0.39 0
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145355 53506769 1 ClN2O2F3C14H14 AB2C2D3E14F14 -215.93 4.4 -9.58 -1.14 0
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145356 53508047 1 NSO6C15H23 ABC6D15E23 -235.1 6.0 -9.96 -1.01 0
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145357 53508123 1 ON4H16C21 AB4C16D21 87.74 8.43 -8.59 -1.26 0
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145358 53508364 1 SN3O4C20H25 AB3C4D20E25 -99.39 8.11 -9.02 -0.44 0
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145359 53508655 1 SO3N4C20H22 AB3C4D20E22 -55.79 4.19 -9.02 -0.94 0
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145360 53508797 1 F2O2N3C16H21 A2B2C3D16E21 -173.94 3.55 -9.74 -0.7 0
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145361 53509457 1 ClN4O4C11H13 AB4C4D11E13 -145.66 7.27 -9.63 -1.34 0
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145362 53509504 1 BrON4C15H17 ABC4D15E17 4.78 5.63 -9.04 -0.98 0
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145363 53509875 1 N2O2C19H26 A2B2C19D26 -81.37 4.52 -9.19 0.31 0