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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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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
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392552 135017137 1 SN3O8C26H47 AB3C8D26E47 -452.06 3.05 -8.57 0.43 0
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392553 135017138 1 ISi3O8C56H103 AB3C8D56E103 -203.42 10.08 -7.92 -0.83 0
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392555 135017147 1 SN2O2H28C31 AB2C2D28E31 54.69 5.37 -8.26 -0.36 0
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392556 135017152 1 N2S2O3H12C14 A2B2C3D12E14 -30.33 3.62 -9.32 -1.33 0
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392557 135017153 1 NO6C18H29 AB6C18D29 -273.83 4.04 -9.9 0.2 0
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392558 135017154 1 NO6C15H23 AB6C15D23 -273.09 3.16 -10.02 0.08 0
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392559 135017157 1 ON4H20C23 AB4C20D23 116.52 8.21 -9.16 -1.17 0
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392560 135017166 1 SO2H20C23 AB2C20D23 15.82 1.7 -8.58 -0.34 0
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392561 135017170 1 O15C42H50 A15B42C50 -586.08 3.92 -9.2 0.38 0
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392562 135017171 1 SO7H26C28 AB7C26D28 -219.44 3.1 -8.77 -0.71 1
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392563 135017173 1 SN3O6C15H28 AB3C6D15E28 -287.69 6.79 0.0 0.0 2
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392564 135017175 2 SN3O6C11H19 AB3C6D11E19 -536.08 12.22 -9.2 -0.93 0
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392565 135017180 1 OSiC20H42 ABC20D42 -160.29 1.31 -8.72 1.29 0
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392566 135017183 1 NSO3H21C25 ABC3D21E25 -22.57 7.03 -8.75 -0.66 0
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392567 135017186 1 OSiN3C17H27 ABC3D17E27 -14.79 3.61 -8.97 -0.26 0
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392568 135017190 1 N3O3C21H22 A3B3C21D22 -76.02 6.58 0.0 0.0 0
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392569 135017214 1 BrN3C18H18 AB3C18D18 69.33 5.45 -8.86 -0.96 0
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392570 135017226 1 PO5C17H17 AB5C17D17 -223.22 3.35 -9.17 -1.41 0
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392571 135017240 1 NH13C14 AB13C14 96.34 3.44 -8.13 -0.37 0
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392572 135017243 3 NS2O4C14H23 AB2C4D14E23 -626.31 7.5 -8.79 -1.2 0
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392574 135017264 1 SiO3C13H26 AB3C13D26 -208.6 2.09 -8.81 0.39 0
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392575 135017267 1 NO4C15H19 AB4C15D19 -96.64 3.48 -9.83 -0.4 0
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392576 135017268 1 OC17H30 AB17C30 -69.22 1.98 -9.96 1.24 0
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392577 135017270 1 O4H30C33 A4B30C33 -72.79 1.07 -8.78 -0.89 0
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392578 135017272 1 O4H26C35 A4B26C35 -25.1 1.62 -8.83 -0.76 0
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392579 135017273 1 NSO8C41H61 ABC8D41E61 -331.5 6.47 -9.05 -0.46 0
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392580 135017274 1 SiSnO2C27H50 ABC2D27E50 -118.93 1.01 -8.8 0.41 0
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392581 135017275 1 SiF3C19H19 AB3C19D19 -120.91 4.02 -9.14 -0.59 0
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392582 135017276 1 LiN2O2C18H19 AB2C2D18E19 -62.1 9.62 -7.75 -0.36 0
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392583 135017277 2 NOC9H10 ABC9D10 -33.46 4.36 -8.52 -0.12 0
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392584 135017278 1 FN2O2C18H19 AB2C2D18E19 -99.93 1.29 -9.52 -0.71 0
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392585 135017279 1 FN2O2C18H19 AB2C2D18E19 -101.5 2.97 -9.61 0.03 0
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392587 135017282 1 SN3O5C30H43 AB3C5D30E43 -207.31 4.49 -8.49 -0.19 0
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392588 135017283 1 SN3O5C30H45 AB3C5D30E45 -219.34 4.4 -8.26 -0.17 0
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392589 135017287 1 NO5C16H29 AB5C16D29 -237.42 4.69 -8.97 1.19 0
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392590 135017289 1 NO5C23H39 AB5C23D39 -255.11 5.18 -8.94 0.19 0
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392591 135017291 1 NO7C34H47 AB7C34D47 -322.12 3.25 -8.82 -0.38 0
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392592 135017292 1 NO5C19H37 AB5C19D37 -287.02 5.54 -8.87 1.49 0
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392593 135017293 1 NO5C26H41 AB5C26D41 -244.05 2.37 -8.96 0.3 0
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392594 135017296 1 NSi2O5C22H47 AB2C5D22E47 -381.25 2.87 -8.81 0.54 0
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392595 135017297 2 NSiO2C11H22 ABC2D11E22 -300.36 4.27 -8.73 0.19 0
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392596 135017300 2 O2C8H11 A2B8C11 -161.45 2.63 -8.75 -0.22 0
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392597 135017304 1 NSiO3C13H27 ABC3D13E27 -125.51 4.77 -8.9 -0.44 0
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392598 135017305 1 FO4H13C15 AB4C13D15 -169.18 2.89 -9.74 -0.66 0
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392600 135017308 1 NO7C18H25 AB7C18D25 -297.36 9.29 -9.34 -0.76 0
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392601 135017316 2 SiC14H19 AB14C19 23.89 1.28 -9.09 0.15 0
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392602 135017319 1 NCl3O7C26H28 AB3C7D26E28 -257.33 3.41 -9.35 -0.57 0
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392603 135017323 1 FOH15C21 ABC15D21 13.07 3.85 -9.43 -0.74 0
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392604 135017326 1 NO8C33H35 AB8C33D35 -109.04 7.39 -9.22 -0.83 0
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392605 135017331 1 NOC21H21 ABC21D21 -2.39 6.12 -8.35 -0.07 0