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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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23618 605255 2 O2C16H27 A2B16C27 -283.04 2.27 -9.72 1.1 0
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23619 605271 2 ON2H3C4 AB2C3D4 81.21 5.56 -10.06 -2.16 0
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23620 605273 1 O5H14C15 A5B14C15 -169.02 2.56 -8.37 -0.66 0
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23621 605274 1 NO3F5C9H12 AB3C5D9E12 -393.78 4.21 -10.19 -0.38 0
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23622 605275 2 ON3C6H7 AB3C6D7 -29.51 4.17 -9.34 -1.26 0
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23623 605277 2 OC6H7 AB6C7 -67.29 3.19 -8.43 0.27 0
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23624 605278 1 NO6H19C20 AB6C19D20 -169.79 2.85 -8.78 -0.89 0
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23625 605280 1 NOC18H27 ABC18D27 -63.85 0.67 -8.48 0.36 0
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23626 605281 1 ON2C16H24 AB2C16D24 2.65 5.01 -9.46 0.46 0
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23627 605282 1 BrO3C12H13 AB3C12D13 -119.91 3.49 -8.75 -0.8 0
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23628 605283 1 ON4C9H10 AB4C9D10 36.26 4.77 -8.64 -0.58 0
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23629 605284 1 NO2C17H25 AB2C17D25 -91.62 1.66 -9.33 -0.1 0
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23630 605286 1 CFIS ABCD -0.8 0.63 -9.72 -1.99 0
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23631 605287 1 O3N4F6H6C11 A3B4C6D6E11 -393.6 3.89 -9.37 -1.41 0
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23632 605289 1 NSO2Si2C12H29 ABC2D2E12F29 -208.4 3.47 -8.66 0.66 0
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23633 605290 1 NSi2O3C12H31 AB2C3D12E31 -261.26 1.89 -9.28 1.29 0
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23634 605292 2 NOC5H5 ABC5D5 -11.6 2.21 -8.78 -0.75 0
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23635 605293 1 ON4C9H10 AB4C9D10 43.85 2.29 -9.16 -0.52 0
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23636 605294 2 NOC5H5 ABC5D5 -26.33 3.27 -9.38 -0.88 0
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23637 605296 1 ON4C9H10 AB4C9D10 52.7 3.57 -8.93 -0.97 0
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23638 605297 1 O2N3C10H13 A2B3C10D13 18.49 4.38 -9.26 -1.14 0
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23639 605298 1 ON2F3H5C7 AB2C3D5E7 -157.26 1.44 -9.84 -1.08 0
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23640 605299 2 C7H11 A7B11 20.29 0.15 -9.55 1.95 0
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23641 605302 1 SN2O2C7H14 AB2C2D7E14 -52.29 3.14 -9.22 -0.25 0
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23642 605304 2 ON2H3C4 AB2C3D4 80.21 5.52 -10.08 -1.7 0
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23643 605305 2 ON2H3C4 AB2C3D4 94.1 4.84 -10.76 -2.05 0
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23644 605307 2 C7H11 A7B11 -46.99 0.08 -9.93 3.9 0
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23645 605308 1 NO2Cl3C12H12 AB2C3D12E12 -100.35 3.8 -9.4 -0.56 0
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23646 605309 1 NCl2O2C18H19 AB2C2D18E19 -62.09 5.02 -8.89 -0.37 0
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23647 605311 1 FeO4H10C12 AB4C10D12 20.82 3.68 -7.53 0.77 -4
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23648 605312 1 OC9H10 AB9C10 -12.99 3.1 -10.04 0.66 -4
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23649 605313 1 NO2C12H17 AB2C12D17 -51.62 2.67 -8.75 -0.43 0
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23650 605314 1 FN2O2H15C18 AB2C2D15E18 -52.15 4.07 -8.98 -1.45 0
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23651 605316 2 SH3C5 AB3C5 59.38 1.52 -8.4 -0.64 0
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23652 605318 1 S3C7H10 A3B7C10 25.48 0.88 -8.54 -0.63 0
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23653 605322 2 OC6H7 AB6C7 -76.43 1.83 -9.09 0.45 0
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23654 605324 1 ON4C9H10 AB4C9D10 67.86 4.5 -9.37 -0.75 0
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23655 605325 1 N2O3H10C11 A2B3C10D11 -41.61 3.72 -10.09 -1.04 0
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23656 605328 2 C7H10 A7B10 35.06 0.08 -7.7 0.71 -4
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23657 605329 1 O2N3C20H23 A2B3C20D23 -54.87 3.76 -8.73 -0.5 0
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23658 605330 1 OCl2C4N4 AB2C4D4 111.88 2.65 -11.0 -2.64 0
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23659 605331 2 ClO3C6H6 AB3C6D6 -225.37 2.98 -9.38 -1.16 0
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23660 605332 1 N2O3H6C9 A2B3C6D9 7.06 4.1 -9.58 -1.76 0
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23661 605333 1 ON2S2C6H10 AB2C2D6E10 -19.62 1.79 -8.6 -0.64 0
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23662 605348 1 NO2C12H17 AB2C12D17 -14.09 5.01 -10.14 -1.14 0
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23663 605349 2 O2H3C5 A2B3C5 -86.74 1.73 -9.87 -1.83 0
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23664 605350 1 O2N3F6H7C9 A2B3C6D7E9 -350.75 4.82 -10.37 -1.68 0
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23665 605351 2 OC6H7 AB6C7 -62.17 3.81 -8.7 0.23 0
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23666 605353 1 OCl3N3H12C14 AB3C3D12E14 -24.33 4.35 -9.26 -0.98 0
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23667 605354 2 OSN3C5H8 ABC3D5E8 13.57 7.47 -9.45 -0.97 0