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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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28223 826394 1 FOSH15C17 ABCD15E17 -50.64 1.93 -8.99 -0.87 0
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28224 826395 1 SN3C17H25 AB3C17D25 19.9 7.34 -8.04 0.26 0
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28225 826399 1 ClFSO2H10C14 ABCD2E10F14 -101.62 2.28 -9.16 -0.84 0
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28226 826400 1 NOC16H25 ABC16D25 -56.12 2.5 -8.85 0.27 0
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28227 826402 1 NOC16H25 ABC16D25 -59.47 1.19 -9.03 0.4 0
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28228 826403 1 NOSC17H27 ABCD17E27 -51.33 2.8 -8.56 0.05 0
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28229 826407 1 NOSC17H27 ABCD17E27 -53.61 1.81 -8.56 0.02 0
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28230 826408 1 O3C17H24 A3B17C24 -144.65 2.5 -9.47 0.25 0
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28231 826418 1 ClSO2H11C14 ABC2D11E14 -49.69 5.42 -8.93 -0.92 0
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28232 826422 1 ClSO2H13C15 ABC2D13E15 -45.47 3.72 -8.85 -0.62 0
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28233 826426 1 O4N6H12C15 A4B6C12D15 -20.64 2.95 -10.06 -1.69 0
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28234 826430 1 ON7C8H15 AB7C8D15 15.32 6.19 -9.42 -0.39 0
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28235 826432 1 O2N5C9H15 A2B5C9D15 -0.63 2.41 -9.4 -0.04 0
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28236 826436 1 ClNSC16H16 ABCD16E16 39.0 1.78 -8.54 -0.46 0
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28237 826437 1 ClNSC16H16 ABCD16E16 43.4 3.68 -8.37 -0.23 0
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28238 826449 1 SN2C11H12 AB2C11D12 29.71 4.47 -8.4 -0.34 0
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28239 826457 1 ClOSH11C14 ABCD11E14 -7.54 0.79 -8.74 -0.49 0
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28240 826461 1 N2O2H14C17 A2B2C14D17 69.02 9.43 -8.86 -1.17 0
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28241 826476 1 S2N3C10H11 A2B3C10D11 49.59 3.93 -8.29 -0.66 0
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28242 826480 1 SN6C10H14 AB6C10D14 74.99 3.47 -8.46 -0.66 0
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28243 826481 1 OSN4C11H14 ABC4D11E14 21.91 2.19 -8.8 -1.05 0
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28244 826502 1 NOSC13H13 ABCD13E13 3.12 3.32 -8.62 -0.35 0
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28245 826522 1 OSN3H17C20 ABC3D17E20 65.44 7.38 -8.27 -0.9 0
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28246 826525 1 O2N4C11H16 A2B4C11D16 -50.1 2.23 -8.98 -0.24 1
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28247 826533 1 NO3C20H28 AB3C20D28 -68.81 2.6 0.0 0.0 0
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28248 826540 1 ClNOSC18H18 ABCDE18F18 2.0 2.92 -8.31 -0.62 0
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28249 826547 1 OS2C18H18 AB2C18D18 -2.61 1.2 -8.64 -0.95 0
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28250 826549 1 O2N4C13H18 A2B4C13D18 -53.44 2.77 -8.99 -0.67 0
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28251 826551 1 O2H12C17 A2B12C17 -16.01 2.59 -9.36 -0.55 0
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28252 826552 2 NOC6H8 ABC6D8 -55.49 2.32 -9.56 -0.83 0
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28253 826554 1 NOC19H19 ABC19D19 14.08 1.41 -8.31 -0.34 0
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28254 826556 1 NOC19H19 ABC19D19 14.02 1.46 -8.29 -0.34 0
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28255 826557 1 NSO2H19C21 ABC2D19E21 -11.63 4.81 -8.81 -0.82 0
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28256 826568 2 OSH5C7 ABC5D7 -13.5 5.44 -8.89 -1.14 0
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28257 826569 1 NO3C16H23 AB3C16D23 -153.42 6.41 -8.59 -0.33 0
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28258 826610 1 O4H20C21 A4B20C21 -139.91 6.76 -9.44 -0.1 0
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28259 826611 1 SN3C17H17 AB3C17D17 78.07 2.34 -8.45 -0.15 0
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28260 826612 1 NSO2C16H17 ABC2D16E17 -13.03 0.68 -8.47 -0.35 0
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28261 826613 1 O4H20C21 A4B20C21 -140.05 6.72 -9.44 -0.1 0
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28262 826615 1 NOSC15H17 ABCD15E17 3.23 2.35 -8.54 -0.2 0
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28263 826623 1 FNO2C14H16 ABC2D14E16 -102.05 2.84 -9.1 -0.23 0
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28264 826634 1 NSH17C18 ABC17D18 66.5 1.17 -8.58 -0.77 0
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28265 826645 1 NSC19H21 ABC19D21 42.4 2.92 -7.91 -0.01 0
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28266 826648 1 ClSN2C18H19 ABC2D18E19 50.64 2.88 -8.64 -0.48 0
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28267 826649 1 ON2C19H22 AB2C19D22 19.78 1.92 -8.06 0.02 0
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28268 826656 1 N2S2C17H22 A2B2C17D22 56.72 2.38 -8.2 -0.27 0
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28269 826659 1 SN2C21H26 AB2C21D26 44.45 4.34 -7.84 0.02 0
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28270 826663 1 NOC16H19 ABC16D19 7.59 3.33 -8.67 0.29 0
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28271 826666 2 NC8H12 AB8C12 15.49 1.75 -8.47 0.56 0
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28272 826672 1 ON4H6C11 AB4C6D11 114.82 1.99 -9.14 -2.03 0