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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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398239 135032431 1 O2H18C21 A2B18C21 15.99 2.93 -9.02 -0.63 0
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398240 135032432 1 OSH18C21 ABC18D21 50.77 3.07 -8.97 -0.95 0
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398241 135032437 1 BrOH19C23 ABC19D23 48.29 2.44 -9.09 -0.79 0
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398242 135032451 1 O2N4H26C27 A2B4C26D27 60.5 7.01 -8.87 -0.21 0
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398243 135032453 1 NO6H11C14 AB6C11D14 -207.03 3.94 -9.99 -1.56 0
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398244 135032458 1 NO2F3H14C16 AB2C3D14E16 -204.11 4.77 -9.99 -0.99 0
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398245 135032469 1 NO2C19H19 AB2C19D19 -51.23 4.18 -9.39 -0.87 0
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398246 135032474 1 O4C17H20 A4B17C20 -139.74 4.27 -9.24 -0.63 0
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398247 135032491 1 N2H24C25 A2B24C25 90.21 2.3 -8.35 0.07 0
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398248 135032494 1 F5H11C16 A5B11C16 -173.74 1.92 -9.37 -1.15 0
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398249 135032496 1 N2O2C15H18 A2B2C15D18 32.86 6.79 -10.01 -0.79 0
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398250 135032497 1 NO2H7C11 AB2C7D11 -3.78 6.25 -9.91 -1.54 0
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398251 135032502 1 OF3C17H17 AB3C17D17 -172.71 3.27 -8.8 -0.49 0
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398252 135032503 1 SO3H12C20 AB3C12D20 -21.06 4.7 -8.79 -1.5 0
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398253 135032504 1 O2N3H13C21 A2B3C13D21 67.5 10.03 -9.1 -1.55 0
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398254 135032505 1 FO2N3H12C21 AB2C3D12E21 17.22 6.61 -9.27 -1.9 0
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398255 135032506 1 ClO2N3H12C21 AB2C3D12E21 54.01 6.51 -9.28 -1.9 0
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398256 135032513 1 O3H16C17 A3B16C17 -82.43 4.32 -9.52 -0.6 -1
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398258 135032543 4 OC5H5 AB5C5 -118.56 2.33 -9.66 -0.56 0
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398259 135032560 1 O3C10H12 A3B10C12 -84.94 1.02 -8.83 -0.08 0
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398260 135032562 1 O2F4H14C17 A2B4C14D17 -198.61 2.75 -8.52 -0.71 1
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398261 135032570 1 O3C8H9 A3B8C9 -34.49 2.6 0.0 0.0 0
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398262 135032571 1 NO5C14H17 AB5C14D17 -194.69 1.84 -10.36 -1.06 0
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398263 135032573 2 NOC10H10 ABC10D10 9.86 3.68 -8.4 -0.74 0
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398264 135032576 1 O16C29H36 A16B29C36 -673.93 2.0 -9.88 -0.1 0
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398265 135032577 1 SN2O3C19H20 AB2C3D19E20 -54.53 5.38 -8.57 -0.66 0
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398266 135032580 1 SN2O2H14C15 AB2C2D14E15 45.66 2.74 -8.41 -0.72 0
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398267 135032583 1 BrSN2H11C14 ABC2D11E14 68.14 1.36 -8.57 -0.76 0
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398268 135032585 1 SN4O6C15H20 AB4C6D15E20 -130.39 5.83 -9.17 -1.22 0
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398269 135032594 1 NO3C29H39 AB3C29D39 -89.88 2.12 -8.8 0.27 0
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398270 135032613 1 SiN2C24H30 AB2C24D30 67.05 3.88 -8.34 -0.62 0
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398271 135032618 1 SN2O3C21H24 AB2C3D21E24 -70.2 5.91 -8.51 -0.44 0
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398272 135032622 1 SC16H18 AB16C18 31.04 1.41 -8.58 -0.33 0
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398273 135032627 1 SiO2C17H30 AB2C17D30 -151.36 1.92 -8.7 0.21 -1
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398274 135032628 1 FMnNH3C7 ABCD3E7 120.47 5.48 -8.39 -1.82 0
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398275 135032631 1 N3O3C25H25 A3B3C25D25 11.86 4.42 -8.75 -0.4 0
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398276 135032635 1 NO6C18H19 AB6C18D19 -182.55 4.39 -9.18 -1.06 0
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398277 135032636 2 O3C17H20 A3B17C20 -188.3 4.24 -9.09 0.02 0
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398278 135032654 1 OSC16H20 ABC16D20 -32.78 3.71 -8.94 -0.86 0
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398279 135032656 1 NO2C16H19 AB2C16D19 -44.26 5.76 -9.75 -0.64 0
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398280 135032657 1 NO4C18H25 AB4C18D25 -177.07 3.84 -9.68 -0.61 0
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398281 135032658 1 O2C23H36 A2B23C36 -117.66 2.2 -9.33 0.02 0
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398282 135032660 1 S6O7C21H30 A6B7C21D30 -281.37 5.74 -9.18 -1.02 0
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398283 135032661 1 OBr2N2H16C21 AB2C2D16E21 51.42 1.17 -8.66 -0.84 0
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398284 135032662 1 ON2H22C27 AB2C22D27 72.02 2.72 -8.43 -0.31 0
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398285 135032664 1 N2O2H18C21 A2B2C18D21 3.35 2.63 -8.8 -0.2 0
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398286 135032666 1 ON3H17C22 AB3C17D22 76.98 3.76 -8.68 -0.95 0
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398287 135032668 1 ON2H18C21 AB2C18D21 45.92 3.59 -8.46 -0.35 0
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398288 135032669 1 FNOC21H28 ABCD21E28 -81.87 1.95 -8.34 -0.3 0
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398289 135032670 1 FNOC20H26 ABCD20E26 -77.81 4.32 -8.33 -0.3 0
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398290 135032671 1 NOC21H29 ABC21D29 -15.83 3.31 -8.42 -0.38 0
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398291 135032675 1 N2C33H36 A2B33C36 82.52 0.83 -8.4 0.14 0
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398292 135032676 1 SiH30C35 AB30C35 144.33 1.47 -8.25 -0.61 0
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398293 135032677 1 NO4H15C21 AB4C15D21 -71.36 8.05 -8.39 -0.87 0
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398294 135032679 1 NBr2H17C20 AB2C17D20 80.76 1.51 -8.87 -0.52 0
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398295 135032680 1 Si2O4C31H50 A2B4C31D50 -219.66 2.56 -8.8 -0.04 0
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398296 135032687 1 O3H16C17 A3B16C17 -85.55 4.56 -8.94 -0.6 0
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398297 135032698 1 FO2N3H20C24 AB2C3D20E24 14.08 7.47 -9.11 -0.55 0
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398298 135032700 1 N4O5H22C25 A4B5C22D25 22.2 8.16 -8.48 -1.34 0
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398299 135032703 1 N3O4C27H27 A3B4C27D27 -24.3 2.6 -8.24 -0.36 0
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398300 135032704 1 BrN3O4H24C26 AB3C4D24E26 -23.06 5.99 -8.14 -0.45 0
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398301 135032721 1 ClOSN2H9C14 ABCD2E9F14 32.12 2.91 -8.56 -1.59 0
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398302 135032726 1 FNOH14C21 ABCD14E21 -0.14 4.35 -8.92 -0.85 0
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398303 135032734 1 O4C23H30 A4B23C30 -133.1 13.93 -8.18 -2.33 0
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398304 135032741 1 ON2C19H22 AB2C19D22 14.22 3.93 -9.17 -0.6 0
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398305 135032743 1 ClNSO4C16H16 ABCD4E16F16 -65.68 2.44 -9.44 -2.02 0
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398306 135032747 1 OCl4H14C21 AB4C14D21 -6.08 1.31 -9.56 -0.78 0
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398307 135032749 1 OF2H16C21 AB2C16D21 -64.79 3.18 -9.67 -0.66 0
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398308 135032766 1 ClN2O2H13C20 AB2C2D13E20 57.79 2.57 -8.85 -1.49 0
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398309 135032769 1 NO4C21H35 AB4C21D35 -230.71 2.77 -9.16 0.77 1
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398310 135032775 1 SN2H11C13 AB2C11D13 79.93 2.1 0.0 0.0 0
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398311 135032779 1 NO4C20H33 AB4C20D33 -206.22 4.52 -8.82 -0.32 1
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398312 135032785 1 NO2C4H10 AB2C4D10 -83.25 1.53 0.0 0.0 0
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398315 135032793 1 NO3C29H39 AB3C29D39 -95.46 1.49 -8.77 0.23 0
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398316 135032798 1 OSH14C21 ABC14D21 52.81 3.77 -8.95 -1.0 0