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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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387592 134986032 2 OSC5H9 ABC5D9 -94.08 4.22 -8.35 -0.22 0
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387593 134986037 1 BSN2F4C7H7 ABC2D4E7F7 -303.11 9.12 -8.85 -0.67 0
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387594 134986046 1 NOC10H11 ABC10D11 47.03 4.67 -8.64 -0.61 1
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387595 134986050 1 ON2C10H15 AB2C10D15 17.15 5.69 0.0 0.0 0
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387596 134986069 1 ClNOPC10H11 ABCDE10F11 -51.17 7.04 -10.3 -0.64 0
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387597 134986070 1 OPCl2C10H11 ABC2D10E11 -51.94 3.85 -9.04 -0.13 0
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387598 134986072 1 OS2C11H14 AB2C11D14 0.98 4.7 -8.22 0.03 0
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387599 134986074 2 SO2C6H9 AB2C6D9 -178.79 4.93 -9.26 -0.73 0
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387600 134986079 1 O3C7H14 A3B7C14 -134.38 4.24 -9.46 1.64 1
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387601 134986084 1 O2N3H8C9 A2B3C8D9 -3.75 0.96 0.0 0.0 0
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387602 134986086 1 SiN2O3C11H22 AB2C3D11E22 -160.51 1.37 -9.8 -0.57 0
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387603 134986088 2 NOC4H8 ABC4D8 -62.7 3.2 -9.05 0.23 0
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387604 134986089 1 PC15H29 AB15C29 -38.97 1.2 -9.12 0.35 0
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387605 134986090 1 OC13H14 AB13C14 -2.25 2.91 -8.84 0.43 0
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387606 134986093 1 OS2C7H10 AB2C7D10 -29.04 3.33 -9.08 -1.16 0
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387607 134986110 1 N2O2F3H9C11 A2B2C3D9E11 -143.68 4.05 -10.05 -0.87 0
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387608 134986129 1 SO2N3C11H19 AB2C3D11E19 -33.37 10.43 -8.82 -0.03 0
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387609 134986144 1 FNC5H6O6 ABC5D6E6 -202.28 4.16 -11.65 -1.36 0
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387610 134986151 2 NC6H10 AB6C10 15.54 1.53 -8.8 0.42 0
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387611 134986155 1 NPO3C6H8 ABC3D6E8 -162.43 5.23 -10.22 -0.74 0
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387612 134986156 1 Br2C11H12 A2B11C12 23.33 2.93 -9.68 -0.71 0
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387613 134986158 1 NPBr2H8C10 ABC2D8E10 16.94 3.19 -9.01 -0.58 0
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387614 134986167 1 SeO2C11H12 AB2C11D12 -47.92 1.02 -8.59 -0.35 0
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387615 134986169 1 OS2C9H14 AB2C9D14 -42.28 4.14 -9.07 -1.17 0
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387616 134986173 1 OS2C13H18 AB2C13D18 -5.08 4.29 -8.4 -0.3 0
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387617 134986186 1 NO3C12H17 AB3C12D17 -56.3 0.83 -8.29 0.21 0
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387618 134986188 1 NOH4F5C9 ABC4D5E9 -240.98 1.83 -10.28 -1.27 0
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387619 134986193 1 SO2N3C11H17 AB2C3D11E17 -27.21 10.06 -8.82 0.0 0
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387620 134986204 1 SO5C8H12 AB5C8D12 -195.74 5.15 -8.9 -0.27 0
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387621 134986206 1 SO4C9H16 AB4C9D16 -206.82 2.46 -8.97 0.26 0
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387622 134986207 1 OC9H10 AB9C10 31.94 0.99 -7.84 -0.1 0
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387623 134986208 1 BrO2C7H15 AB2C7D15 -106.23 4.15 -9.95 0.11 0
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387624 134986211 2 NC6H7 AB6C7 77.29 2.6 -9.08 -0.38 0
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387625 134986213 1 NOC12H23 ABC12D23 -72.38 2.71 -8.99 1.26 0
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387626 134986214 2 NOC7H10 ABC7D10 -60.4 3.11 -8.67 0.27 0
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387627 134986220 1 S2C9H20 A2B9C20 -41.52 1.0 -8.37 0.53 0
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387628 134986234 1 ClN2H6C7F7 AB2C6D7E7 -340.08 2.47 -9.34 -0.82 0
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387629 134986235 2 NCl2C4H5 AB2C4D5 -6.65 5.12 -9.13 -0.55 0
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387630 134986236 1 N2Cl4C7H12 A2B4C7D12 -13.42 14.81 -8.26 -2.14 0
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387632 134986245 1 SeCl2C7H10 AB2C7D10 -5.21 2.26 -8.66 -0.47 0
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387633 134986246 1 O3C10H18 A3B10C18 -127.51 2.35 -9.96 0.59 0
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387634 134986249 1 O2C13H20 A2B13C20 -104.44 3.49 -9.71 -0.16 0
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387635 134986252 1 OS2C10H12 AB2C10D12 -3.81 4.26 -8.55 0.03 0
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387636 134986253 1 SSeO2C7H10 ABC2D7E10 -69.33 2.38 -8.42 -0.55 0
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387637 134986261 1 OS2C10H20 AB2C10D20 -62.27 1.59 -8.4 0.55 0
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387638 134986266 1 ClNSO5C10H18 ABCD5E10F18 -229.9 2.56 -8.77 -0.17 0
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387639 134986267 1 ClINOH9C12 ABCDE9F12 12.93 2.15 -8.44 -0.74 0
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387641 134986272 1 SO5C12H12 AB5C12D12 -141.38 2.15 -9.02 -0.81 0
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387642 134986279 1 N2Cl4C7H12 A2B4C7D12 -1.22 10.45 -8.28 -1.4 1
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387643 134986280 1 N2Cl3C7H12 A2B3C7D12 1.57 2.17 0.0 0.0 0
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387644 134986282 1 OSCl2C5H6 ABC2D5E6 -39.21 1.78 -9.21 -1.3 0
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387645 134986283 1 OSCl2H8C10 ABC2D8E10 -6.36 0.59 -9.18 -1.1 0
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387646 134986284 1 ClFH10C14 ABC10D14 4.95 2.81 -9.36 -0.32 0
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387647 134986292 1 O3C11H16 A3B11C16 -135.27 2.08 -10.38 -0.99 0
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387648 134986293 1 BrO3H11C14 AB3C11D14 -75.19 0.34 -9.39 -1.14 0
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387649 134986295 1 OC15H16 AB15C16 48.35 2.88 -8.02 -0.01 0
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387650 134986298 1 N2F3C9H15 A2B3C9D15 -160.36 1.09 -9.29 0.21 0
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387651 134986308 1 NO2C13H19 AB2C13D19 -59.11 2.93 -9.9 -1.0 0
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387652 134986309 1 BrSN2O4C10H11 ABC2D4E10F11 -94.18 6.85 -9.43 -1.89 0
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387653 134986310 1 ClN4H7C13 AB4C7D13 145.93 3.43 -10.38 -2.65 0
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387654 134986311 1 ISN2O3C8H9 ABC2D3E8F9 -61.0 4.41 -9.64 -1.6 0
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387655 134986322 1 NO2F3C13H14 AB2C3D13E14 -180.94 4.62 -9.11 -0.36 0
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387656 134986324 1 O2C13H16 A2B13C16 -46.03 2.15 -9.1 0.54 0
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387657 134986325 2 OC7H10 AB7C10 -23.34 1.45 -9.11 0.22 0
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387658 134986330 1 O2C9H18 A2B9C18 -122.51 2.5 -9.48 1.91 0
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387659 134986332 1 ClFC8H16 ABC8D16 -103.01 2.82 -10.97 0.36 0
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387660 134986335 1 ON2C10H14 AB2C10D14 27.27 1.62 -9.03 0.17 0
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387661 134986336 1 N2O2C7H14 A2B2C7D14 -62.51 0.7 -8.76 0.51 0
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387662 134986343 1 NS2C12H19 AB2C12D19 4.64 2.61 -8.61 -0.37 0
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387663 134986349 1 BrTeO4C10H11 ABC4D10E11 -21.86 8.68 -10.4 -1.87 0
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387664 134986353 1 NPO6C11H22 ABC6D11E22 -313.62 2.91 -9.14 0.77 1
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387665 134986360 1 OCl2N2C9H17 AB2C2D9E17 -37.01 3.42 0.0 0.0 0
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387666 134986365 1 SBr2H2O2C7 AB2C2D2E7 -13.73 4.69 -10.22 -1.8 0
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387667 134986373 1 N2O2C9H14 A2B2C9D14 -61.7 3.49 -8.6 -0.02 0
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387668 134986379 1 OS2C12H18 AB2C12D18 -29.82 2.54 -8.56 0.24 0
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387669 134986398 2 NCl2C4H7 AB2C4D7 -64.87 2.81 -9.16 -0.78 0
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387670 134986400 1 INC12H16 ABC12D16 45.0 3.75 -8.64 -0.53 0
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387671 134986402 1 N2O2Cl3C9H15 A2B2C3D9E15 -80.3 6.96 -8.34 -1.33 0
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387672 134986407 1 FNOC6H10 ABCD6E10 -82.16 3.24 -8.96 0.1 0
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387673 134986410 1 NOC11H23 ABC11D23 -75.42 4.27 -8.68 0.86 0
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387674 134986411 1 O2C11H16 A2B11C16 -36.95 1.35 -9.09 0.27 0
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387675 134986412 1 OC16H20 AB16C20 -43.28 3.41 -9.62 -0.44 0
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387676 134986413 1 OC16H18 AB16C18 -20.23 0.95 -8.74 0.24 0
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387677 134986415 1 NSiO4C12H27 ABC4D12E27 -260.2 1.88 -8.74 0.48 0
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387678 134986417 1 S2C13H24 A2B13C24 -14.98 0.7 -8.39 0.67 0
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387679 134986423 1 O3C13H24 A3B13C24 -171.19 1.85 -9.4 1.62 0
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387680 134986426 1 OSCl2C11H14 ABC2D11E14 -58.89 1.81 -8.89 -0.57 0
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387681 134986427 1 O2C13H18 A2B13C18 -86.72 1.38 -8.73 0.39 0
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387682 134986428 1 OCl2C12H16 AB2C12D16 -49.98 4.02 -10.12 -0.45 0
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387683 134986430 1 F2O2C15H22 A2B2C15D22 -208.27 2.45 -9.1 0.04 0
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387684 134986432 1 BrClH8C9 ABC8D9 36.92 1.89 -9.6 -0.6 0
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387685 134986435 1 O3C16H24 A3B16C24 -116.88 3.24 -8.37 0.04 0
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387686 134986441 1 ClN2H11C13 AB2C11D13 88.24 2.35 -8.38 -0.63 0
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387687 134986442 1 Cl2N2F3C6H9 A2B2C3D6E9 -178.3 2.73 -9.94 -0.48 0
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387688 134986443 1 ClN2F3C6H8 AB2C3D6E8 -147.82 2.32 -9.35 -0.79 0
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387689 134986446 2 OC5H9 AB5C9 -88.64 1.53 -9.05 1.65 0
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387690 134986449 1 BrSC10H17 ABC10D17 7.5 1.62 -8.7 -0.09 0
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387691 134986450 1 BrF3O3H6C7 AB3C3D6E7 -248.26 2.95 -11.27 -1.72 0
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387692 134986453 1 O2Cl3C7H11 A2B3C7D11 -126.02 3.61 -10.35 -0.28 0
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387693 134986454 2 SeC4H9 AB4C9 -23.45 0.79 -8.11 0.14 0