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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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392477 135016869 1 NC14H19 AB14C19 1.38 1.82 -8.35 0.54 0
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392478 135016870 2 FOC5H5 ABC5D5 -143.68 2.43 -9.68 -0.63 0
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392479 135016875 1 SO2C16H18 AB2C16D18 -51.96 5.93 -8.8 -0.92 0
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392480 135016878 1 NO3C18H19 AB3C18D19 -6.57 3.55 -9.02 -1.1 0
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392481 135016879 1 OBr4H16C28 AB4C16D28 93.24 1.28 -8.97 -1.23 0
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392482 135016880 1 NO2H9C13 AB2C9D13 -18.37 5.36 -9.28 -1.49 0
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392483 135016882 1 NO2C17H17 AB2C17D17 -25.05 2.55 -8.09 0.16 0
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392484 135016887 1 N2O3H14C16 A2B3C14D16 8.77 5.77 -8.69 -1.38 0
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392485 135016888 1 NOH17C21 ABC17D21 46.15 2.92 -8.28 -0.16 0
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392486 135016889 1 NOC19H21 ABC19D21 0.83 3.24 -8.38 -0.01 0
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392487 135016890 1 NOC19H21 ABC19D21 3.46 3.09 -8.44 0.01 0
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392488 135016891 1 NO2C17H17 AB2C17D17 -31.34 1.86 -8.54 -0.15 0
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392489 135016894 2 NH13C16 AB13C16 125.83 2.06 -8.18 0.05 0
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392490 135016901 1 SiO2C25H30 AB2C25D30 -51.79 1.46 -8.68 0.08 0
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392491 135016902 1 ON2C15H16 AB2C15D16 10.14 5.81 -8.51 -0.48 0
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392492 135016905 1 SO2C8H14 AB2C8D14 -102.57 3.37 -8.56 0.8 0
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392493 135016916 1 O5C23H28 A5B23C28 -159.85 1.12 -8.86 -0.04 0
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392494 135016918 1 NCl2O2H13C16 AB2C2D13E16 -53.86 7.8 -9.28 -0.44 0
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392495 135016965 1 NSiO3C16H23 ABC3D16E23 -155.85 4.11 -9.02 -0.58 0
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392496 135016966 1 NOC23H37 ABC23D37 -31.43 0.82 -8.49 0.08 0
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392497 135016969 1 SiC12H16 AB12C16 57.14 3.15 -7.38 -0.71 0
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392498 135016970 1 SiH20C22 AB20C22 128.49 1.86 -7.64 -1.67 0
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392499 135016972 1 ON2C19H20 AB2C19D20 -15.77 5.91 -8.26 -0.13 0
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392500 135016976 1 ON2H20C21 AB2C20D21 14.1 5.5 -8.33 0.05 0
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392501 135016978 1 ON2C22H22 AB2C22D22 9.15 5.5 -8.33 0.05 0
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392502 135016983 1 SN2O2C17H24 AB2C2D17E24 -66.78 3.31 -8.77 -0.3 0
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392503 135016987 1 NO2C20H23 AB2C20D23 -46.75 1.64 -8.38 0.04 0
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392504 135016989 2 SiO2C16H21 AB2C16D21 -232.01 1.52 -8.41 -0.82 0
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392505 135016990 1 ClNPO4C18H21 ABCD4E18F21 -200.0 4.93 -8.49 -0.52 0
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392506 135016991 1 SeO2H22C26 AB2C22D26 22.61 1.69 -8.21 -0.07 0
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392507 135016992 1 SeF6H8C14 AB6C8D14 -275.19 1.92 -9.12 -0.98 0
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392508 135016993 1 NO2H15C19 AB2C15D19 68.58 4.92 -8.9 -1.03 0
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392509 135016994 1 NO2H17C20 AB2C17D20 58.69 4.82 -8.89 -1.03 0
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392510 135016995 2 FNO2C10H10 ABC2D10E10 -219.92 5.86 -9.88 -0.45 0
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392511 135016998 1 NO3H17C21 AB3C17D21 17.43 2.57 -9.03 -0.53 0
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392512 135016999 1 NO3H19C23 AB3C19D23 16.99 2.73 -8.99 -0.72 0
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392513 135017000 1 ClNO2S2C23H26 ABC2D2E23F26 -23.35 5.04 -9.09 -1.08 0
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392514 135017002 1 F3O7C12H15 A3B7C12D15 -484.99 6.45 -10.95 0.22 0
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392515 135017004 1 F2O3C5H8 A2B3C5D8 -236.79 2.46 -10.44 0.88 0
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392516 135017005 1 F2N3O10C33H35 A2B3C10D33E35 -460.21 5.24 -9.46 -0.96 0
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392517 135017006 1 F2N2O9C14H18 A2B2C9D14E18 -479.07 2.97 -10.22 -0.69 0
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392518 135017016 1 NH17C23 AB17C23 137.16 1.74 -8.3 -0.68 0
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392519 135017019 1 O5H18C20 A5B18C20 -148.37 3.18 -10.04 -0.92 0
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392520 135017020 1 BrN3O7C19H20 AB3C7D19E20 -231.25 4.12 -9.26 -0.74 0
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392521 135017028 1 NO2Si2C19H39 AB2C2D19E39 -170.72 1.06 -8.81 0.89 0
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392522 135017029 2 O3C8H10 A3B8C10 -209.78 4.86 -9.61 0.12 0
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392523 135017030 1 O7C13H20 A7B13C20 -318.31 5.83 -10.3 0.17 0
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392524 135017031 1 O7C10H16 A7B10C16 -312.4 6.36 -10.48 0.14 0
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392525 135017033 1 ClNOSC12H16 ABCDE12F16 -14.74 1.11 -8.26 0.07 0
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392526 135017045 1 ClNSO3H16C19 ABCD3E16F19 -67.36 1.77 -8.81 -0.77 0
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392527 135017046 1 NSO3C19H19 ABC3D19E19 -79.35 9.0 -9.3 -0.82 0
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392528 135017051 1 NO2H17C20 AB2C17D20 56.79 5.7 -8.82 -1.1 0
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392529 135017054 1 BrN3O9C22H24 AB3C9D22E24 -320.42 2.53 -9.16 -0.76 0
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392530 135017058 1 SN2O6C17H30 AB2C6D17E30 -312.2 6.41 -9.74 -0.53 0
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392531 135017060 1 N2O3C12H18 A2B3C12D18 -106.1 8.1 -9.17 -1.04 0
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392532 135017078 2 O2C11H11 A2B11C11 -43.69 4.47 -9.29 -1.38 0
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392533 135017101 1 NO4C14H17 AB4C14D17 -93.03 3.88 -9.77 -0.6 0
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392534 135017106 1 NS2O13C23H33 AB2C13D23E33 -573.51 5.06 -9.16 -0.88 0
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392535 135017112 1 O2C23H26 A2B23C26 -32.07 1.78 -9.18 -0.27 0
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392536 135017115 2 OC8H10 AB8C10 -75.86 3.8 -9.47 -0.2 0
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392537 135017116 1 OSC14H22 ABC14D22 -56.0 2.39 -8.86 0.02 1
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392538 135017117 1 O3N4H13C14 A3B4C13D14 -31.36 4.94 0.0 0.0 0
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392539 135017120 1 BrKNO4C19H27 ABCD4E19F27 -218.88 9.76 -7.3 0.04 0
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392540 135017121 1 BrNO4C19H28 ABC4D19E28 -181.02 3.57 -9.14 0.15 0
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392541 135017123 1 NSiO3C15H29 ABC3D15E29 -210.86 2.5 -8.79 0.29 0
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392542 135017124 2 FC6H6 AB6C6 -86.17 2.03 -9.01 -0.18 0
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392543 135017128 1 N2O4H20C25 A2B4C20D25 -67.99 3.76 -9.21 -0.88 0
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392544 135017129 1 N3O6H17C24 A3B6C17D24 -61.34 4.34 -9.62 -1.92 0
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392545 135017130 2 NO3H10C13 AB3C10D13 -141.15 2.38 -9.41 -1.42 0
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392546 135017131 1 BrN2O4H17C24 AB2C4D17E24 -55.11 1.01 -9.36 -1.24 0
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392547 135017132 1 FN2O4H17C24 AB2C4D17E24 -105.18 1.13 -9.36 -1.22 0
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392548 135017133 2 NO2H11C12 AB2C11D12 -96.55 2.7 -9.25 -0.52 0
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392549 135017134 1 FO4H13C15 AB4C13D15 -166.16 6.6 -9.55 -0.4 0
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392550 135017135 1 NO4C8H13 AB4C8D13 -102.25 4.16 -10.53 -0.52 -3
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392551 135017136 1 BiC3Y3H6 AB3C3D6 -517.08 5.17 -5.97 -1.92 0