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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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45595 10515360 1 N2O2C15H18 A2B2C15D18 -68.13 1.14 -9.24 -0.28 0
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45596 10515371 1 O2C17H22 A2B17C22 -48.54 1.56 -8.76 0.66 0
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45597 10515393 1 OC18H26 AB18C26 -22.88 2.04 -9.03 -0.1 0
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45598 10515394 1 OC18H26 AB18C26 -50.72 1.77 -8.51 0.34 0
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45599 10515402 1 ClN2O5H7C9 AB2C5D7E9 -13.53 7.38 -10.06 -1.66 0
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45600 10515410 1 BrFSN2H4C8 ABCD2E4F8 42.73 0.79 -9.58 -1.3 0
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45601 10515411 1 BrON2C10H15 ABC2D10E15 -21.29 3.37 -8.94 -0.15 0
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45602 10515414 1 O2N7H9C10 A2B7C9D10 77.99 5.33 -8.89 -1.14 0
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45603 10515454 1 ON3C15H21 AB3C15D21 -25.82 1.76 -9.28 -0.02 0
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45604 10515477 1 PO4C12H21 AB4C12D21 -209.78 0.71 -8.81 0.02 0
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45605 10515482 1 N2O3C14H16 A2B3C14D16 -124.54 9.95 -9.34 -0.88 0
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45606 10515518 1 SiO2C15H20 AB2C15D20 -66.73 4.47 -9.31 0.18 0
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45607 10515525 1 OSiC16H24 ABC16D24 -50.64 3.43 -8.94 0.09 0
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45608 10515536 1 NH6F7C9 AB6C7D9 -333.6 3.8 -8.96 -0.4 0
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45609 10515537 1 BrON2C10H17 ABC2D10E17 -29.84 3.08 -9.14 -0.06 0
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45610 10515538 1 OCl2C13H18 AB2C13D18 -72.44 2.45 -9.42 -0.36 0
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45611 10515540 1 NO5H11C13 AB5C11D13 -132.12 4.29 -9.48 -1.46 0
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45612 10515545 1 NO4C14H15 AB4C14D15 -146.94 5.03 -9.76 -0.87 0
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45613 10515591 1 O2F6H8C9 A2B6C8D9 -379.98 2.75 -11.1 -1.39 0
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45614 10515599 1 FSN2O4C9H11 ABC2D4E9F11 -214.41 3.73 -9.92 -1.1 0
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45615 10515636 1 N2O2C15H22 A2B2C15D22 -52.65 0.51 -8.86 0.33 0
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45616 10515637 1 N2O2C15H22 A2B2C15D22 -73.17 5.37 -8.64 -0.2 0
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45617 10515647 1 SiO2C15H22 AB2C15D22 -98.58 2.67 -8.85 0.14 0
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45618 10515674 1 NO4C14H17 AB4C14D17 -159.21 3.98 -9.19 -1.13 0
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45619 10515683 1 N3O3C13H17 A3B3C13D17 -2.49 5.52 -9.34 -0.45 0
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45620 10515713 1 ClFNSH7C13 ABCDE7F13 19.66 3.56 -8.96 -1.25 0
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45621 10515715 1 FIC9H10 ABC9D10 -24.59 2.35 -9.66 -0.73 0
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45622 10515716 1 IOC9H13 ABC9D13 -0.86 0.65 -9.6 -0.77 0
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45623 10515728 1 O5C14H16 A5B14C16 -174.29 4.78 -9.76 -0.07 0
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45624 10515741 1 O4C15H20 A4B15C20 -135.94 1.46 -9.58 0.23 0
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45625 10515747 1 O4C15H20 A4B15C20 -77.26 5.88 -9.4 -0.86 0
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45626 10515750 1 O4C15H20 A4B15C20 -116.53 7.31 -10.38 -0.5 0
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45627 10515772 2 NC9H10 AB9C10 64.03 3.75 -8.91 -0.03 0
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45628 10515801 1 NO2F4C11H11 AB2C4D11E11 -245.13 2.2 -9.2 -0.69 0
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45629 10515840 1 N3C17H19 A3B17C19 58.14 2.77 -8.35 -0.03 0
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45630 10515847 1 NC19H23 AB19C23 45.09 2.3 -8.06 0.45 0
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45631 10515858 1 ClON3C13H16 ABC3D13E16 -42.55 5.21 -9.64 -1.05 0
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45632 10515863 2 OF2C6H7 AB2C6D7 -300.76 7.24 -10.07 0.64 0
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45633 10515869 1 O5C14H18 A5B14C18 -207.12 1.86 -8.63 0.31 0
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45634 10515878 1 N2O4C13H18 A2B4C13D18 -144.58 7.74 -9.28 -0.7 0
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45635 10515879 1 N2O4C13H18 A2B4C13D18 -124.43 4.18 -9.66 -0.24 0
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45636 10515880 1 N2O4C13H18 A2B4C13D18 -196.67 4.89 -11.21 -1.01 0
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45637 10515925 1 ON2C16H30 AB2C16D30 85.86 5.77 -5.64 -1.67 0
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45638 10515926 1 SiO2C15H26 AB2C15D26 -66.85 0.49 -9.75 0.98 0
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45639 10515927 1 SiO2C15H26 AB2C15D26 -147.24 1.72 -9.3 0.24 0
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45640 10515940 1 ClSC15H19 ABC15D19 41.94 3.96 -9.02 -0.51 0
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45641 10515943 1 BrOC13H15 ABC13D15 -22.9 2.33 -9.48 -0.16 0
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45642 10515963 1 O2N3H13C15 A2B3C13D15 -31.36 4.6 -8.74 -0.61 0
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45643 10515968 1 NSO4C12H13 ABC4D12E13 -127.25 5.1 -8.59 -0.93 0
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45644 10515972 1 NO4C14H21 AB4C14D21 -109.77 3.19 -9.51 0.04 0
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45645 10515988 1 NOC18H21 ABC18D21 -4.71 2.49 -8.62 0.29 0
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45646 10515993 1 O2N3C14H25 A2B3C14D25 -108.01 7.79 -8.85 0.34 0
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45647 10516032 1 SO5C12H12 AB5C12D12 -170.56 12.38 -9.64 -1.3 0
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45648 10516033 1 SN6H8C12 AB6C8D12 138.26 1.3 -8.91 -1.75 0
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45649 10516044 1 SO2H12C16 AB2C12D16 -4.54 5.57 -9.24 -1.03 0
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45650 10516051 1 O4C15H24 A4B15C24 -177.78 2.34 -9.77 0.35 0
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45651 10516062 1 SO3C14H20 AB3C14D20 -128.83 6.28 -8.74 -0.32 0
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45652 10516064 1 O3C16H28 A3B16C28 -165.26 2.55 -9.75 2.01 0
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45653 10516099 1 O2N5H11C13 A2B5C11D13 54.8 6.66 -9.77 -0.93 0
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45654 10516103 1 NSO5C11H11 ABC5D11E11 -183.06 8.2 -9.79 -1.42 0
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45655 10516120 1 NO4C14H23 AB4C14D23 -218.49 3.66 -9.91 0.17 0
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45656 10516128 1 NO2C17H19 AB2C17D19 -22.64 1.37 -7.99 0.06 0
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45657 10516133 1 N5C15H19 A5B15C19 64.05 2.34 -8.38 -0.1 0
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45658 10516137 1 NOC18H23 ABC18D23 -7.76 1.59 -8.73 0.33 0
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45659 10516142 1 NOS2C13H19 ABC2D13E19 -19.83 2.91 -8.68 -0.76 0
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45660 10516146 1 ClNS2O4C7H8 ABC2D4E7F8 -141.91 9.34 -10.78 -1.35 1
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45661 10516158 1 N2O2F3H10C12 A2B2C3D10E12 -140.73 5.11 0.0 0.0 0
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45662 10516192 1 O3C17H18 A3B17C18 -93.05 2.21 -9.37 -0.09 0
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45663 10516208 1 O4C15H26 A4B15C26 -202.01 2.77 -10.04 1.44 0
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45664 10516222 1 OSC17H18 ABC17D18 21.28 1.05 -8.43 -0.05 0
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45665 10516226 2 NC9H13 AB9C13 19.97 2.24 -7.92 0.53 0
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45666 10516230 1 SiO3C14H26 AB3C14D26 -204.23 4.38 -8.82 0.12 0
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45667 10516252 1 BrOC13H19 ABC13D19 -45.11 2.19 -8.84 -0.06 0
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45668 10516309 1 O3N4C11H14 A3B4C11D14 -84.48 3.42 -8.99 -0.68 0
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45669 10516331 1 O5C14H24 A5B14C24 -221.2 2.97 -10.15 0.28 0
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45670 10516380 1 FNO2C16H16 ABC2D16E16 -93.64 4.18 -8.42 -0.3 0
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45671 10516385 1 NO5C13H23 AB5C13D23 -235.89 7.01 -9.85 0.17 0
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45672 10516399 1 NSO4C12H19 ABC4D12E19 -179.84 5.7 -9.59 -0.27 0
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45673 10516409 1 NO2C17H23 AB2C17D23 -77.01 5.67 -9.16 0.23 0
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45674 10516411 1 NOSC16H19 ABCD16E19 8.48 2.51 -8.36 0.0 0
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45675 10516423 1 ClNO2H12C15 ABC2D12E15 -2.9 2.43 -9.15 -0.75 1
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45676 10516426 1 ON2C11H11 AB2C11D11 36.26 1.97 0.0 0.0 0
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45677 10516431 1 O2F3N4H7C10 A2B3C4D7E10 -111.93 9.46 -10.16 -1.51 0
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45678 10516434 2 NO2C7H7 AB2C7D7 -44.51 7.67 -9.76 -1.1 0
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45679 10516442 2 O2C8H9 A2B8C9 -159.63 6.62 -9.04 -0.68 0
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45680 10516466 1 N2H18C19 A2B18C19 67.11 2.47 -8.37 -0.81 0
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45681 10516469 2 SN2H5C6 AB2C5D6 117.85 5.56 -9.17 -1.7 0
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45682 10516479 1 O4C15H30 A4B15C30 -230.9 3.63 -9.94 1.85 0
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45683 10516490 1 SSiO3C12H22 ABC3D12E22 -188.48 4.65 -9.22 -0.28 0
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45684 10516497 1 ClN4C14H15 AB4C14D15 56.09 2.15 -8.68 -0.92 0
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45685 10516506 1 BrOC13H23 ABC13D23 -54.68 2.1 -9.51 0.21 0
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45686 10516515 1 NO4C15H17 AB4C15D17 -150.23 6.79 -9.69 -0.64 0
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45687 10516536 1 NO3C16H21 AB3C16D21 -82.83 1.45 -8.9 0.35 0
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45688 10516541 1 ON5C14H21 AB5C14D21 28.45 3.33 -8.93 -0.77 0
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45689 10516542 1 ON5C14H21 AB5C14D21 2.57 1.08 -8.96 -0.4 0
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45690 10516544 1 NSO2C15H17 ABC2D15E17 7.47 1.42 -8.58 -0.24 0
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45691 10516545 1 NSO2C15H17 ABC2D15E17 -48.42 1.68 -8.49 -0.37 0
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45692 10516547 1 NO2C17H25 AB2C17D25 -81.73 1.95 -9.03 -0.02 0
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45693 10516548 1 NO2C17H25 AB2C17D25 -91.43 3.04 -9.03 0.2 0
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45694 10516575 1 N2O5H12C13 A2B5C12D13 -90.05 5.16 -10.2 -1.5 0