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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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309616 126550930 1 N7O12C45H87 A7B12C45D87 -620.1 4.84 -8.71 0.86 1
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309617 126550958 1 ON3C12H18 AB3C12D18 -0.75 4.2 0.0 0.0 0
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309618 126550959 1 NC16H27 AB16C27 -15.49 1.81 -8.34 0.69 0
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309619 126550973 1 SN7C22H23 AB7C22D23 128.77 5.5 -8.3 -1.05 0
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309620 126550997 1 OSN3C15H21 ABC3D15E21 -26.45 4.05 -8.8 -0.76 0
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309621 126551014 1 ON2C17H22 AB2C17D22 -13.72 4.17 -8.59 -0.51 0
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309622 126551057 1 ClO2S2N5C16H18 AB2C2D5E16F18 -18.88 9.62 -8.63 -0.96 0
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309623 126551073 1 ClFO2N5H15C19 ABC2D5E15F19 -4.27 4.76 -9.03 -1.12 0
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309624 126551093 1 ClOSN8C26H29 ABCD8E26F29 65.45 3.04 -8.35 -0.92 0
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309625 126551127 2 OH15C26 AB15C26 163.2 0.81 -8.42 -1.09 0
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309626 126551145 1 ClSO3N6H23C24 ABC3D6E23F24 -31.34 6.12 -8.41 -1.74 0
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309627 126551161 1 ClSN9C25H30 ABC9D25E30 102.91 5.22 -8.4 -0.78 0
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309628 126551170 1 ClOSN7C27H30 ABCD7E27F30 92.29 7.68 -8.22 -0.86 0
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309629 126551235 1 ClSN7C19H20 ABC7D19E20 93.67 3.88 -8.42 -0.65 0
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309630 126551241 1 ClN7C18H20 AB7C18D20 100.04 4.81 -8.28 -0.48 0
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309631 126551274 3 NH9C14 AB9C14 201.48 1.26 -8.87 -1.19 0
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309632 126551282 1 FC24H33 AB24C33 -66.86 1.61 -8.94 0.0 0
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309633 126551303 1 SO2N3H29C55 AB2C3D29E55 310.0 3.87 -8.49 -1.48 0
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309634 126551509 1 FO3H13C16 AB3C13D16 -102.27 3.11 -8.86 -0.6 0
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309635 126551526 1 O2N3C6H13 A2B3C6D13 -46.79 3.54 -9.79 -0.31 0
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309636 126551621 1 F3C23H37 A3B23C37 -230.18 3.52 -9.18 1.42 0
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309637 126551633 1 OC15H22 AB15C22 -39.83 1.22 -8.39 0.26 0
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309638 126551648 1 OF3C24H31 AB3C24D31 -204.75 3.83 -9.46 -0.45 0
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309639 126551671 1 SN3O4C29H43 AB3C4D29E43 -163.94 3.09 -9.2 -0.94 0
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309640 126551720 1 OF2C23H30 AB2C23D30 -138.0 3.74 -9.08 -0.18 0
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309641 126551726 1 N2O3H34C64 A2B3C34D64 220.81 1.78 -8.43 -1.27 0
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309642 126551750 1 SN4O11C26H36 AB4C11D26E36 -473.78 11.62 -9.72 -0.5 0
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309643 126551800 1 O2N3H13C18 A2B3C13D18 14.82 2.87 -9.23 -1.44 0
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309644 126551808 1 OF2C22H36 AB2C22D36 -207.61 4.16 -9.09 1.3 0
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309645 126551824 1 NO10C36H63 AB10C36D63 -515.52 5.09 -9.68 -0.54 0
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309646 126551828 2 O2C9H15 A2B9C15 -211.98 2.82 -10.46 -0.33 0
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309647 126551834 1 N2O2H36C65 A2B2C36D65 252.26 5.96 -8.45 -1.11 0
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309648 126551861 1 O5C24H30 A5B24C30 -193.76 4.51 -9.0 -0.27 0
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309649 126551978 1 OF3C21H33 AB3C21D33 -254.91 3.51 -9.19 0.45 0
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309650 126552010 1 O6N10C55H80 A6B10C55D80 -172.45 8.45 -8.54 -0.17 0
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309651 126552043 1 O7C34H40 A7B34C40 -241.21 4.96 -8.71 -0.37 -1
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309652 126552047 1 NS2O4H6C8 AB2C4D6E8 -81.96 4.69 0.0 0.0 0
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309653 126552050 1 N2C59H68 A2B59C68 100.41 1.48 -7.53 -0.28 0
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309654 126552139 1 SN4O11C34H42 AB4C11D34E42 -442.42 17.95 -9.8 -0.84 0
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309655 126552140 1 N3H37C56 A3B37C56 345.7 1.34 -8.54 -1.25 0
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309657 126552360 2 OC14H17 AB14C17 -50.12 2.49 -8.61 0.02 0
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309658 126552464 1 NO3C9H11 AB3C9D11 -95.99 3.5 -10.11 -1.59 0
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309659 126552501 1 O2C15H28 A2B15C28 -118.45 2.8 -9.58 2.21 0
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309660 126552610 2 O3C6H7 A3B6C7 -193.27 3.99 -9.16 -0.32 0
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309661 126552729 1 NO2C16H19 AB2C16D19 -44.52 1.71 -9.54 -0.08 0
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309662 126552883 1 O3F4N5C24H27 A3B4C5D24E27 -296.49 5.23 -9.47 -0.92 0
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309663 126553005 1 ClN2O2C19H23 AB2C2D19E23 -85.06 3.27 -8.6 -0.3 0
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309664 126553104 2 O3C15H17 A3B15C17 -212.01 3.5 -8.84 0.0 0
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309665 126553143 1 ClO2N3C17H20 AB2C3D17E20 -56.46 4.68 -8.8 -0.68 0
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309666 126553324 1 IS2N5O7C28H32 AB2C5D7E28F32 -142.96 11.51 -7.95 -1.0 0
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309667 126553338 1 S2N3O3C18H21 A2B3C3D18E21 -38.57 3.6 -9.22 -1.2 0
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309668 126553349 1 OF4C22H26 AB4C22D26 -240.99 3.02 -8.86 -0.78 0
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309669 126553455 1 FN6H19C27 AB6C19D27 190.9 5.86 -8.56 -1.8 0
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309670 126553621 1 ClON6H11C12 ABC6D11E12 97.18 1.73 -8.98 -0.81 0
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309671 126553710 1 O3N6C23H30 A3B6C23D30 -76.47 4.21 -9.28 -0.46 0
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309672 126553749 1 Cl2O2N7H21C26 A2B2C7D21E26 72.8 4.73 -8.9 -1.37 0
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309673 126553840 1 SO2N7H25C28 AB2C7D25E28 141.06 9.09 -8.64 -2.15 0
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309674 126554017 1 PF2N6O8C30H39 AB2C6D8E30F39 -434.78 2.91 -8.72 -0.32 0
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309675 126554045 1 Cl2O2N8H26C27 A2B2C8D26E27 68.78 2.78 -8.78 -0.9 0
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309676 126554189 1 ON8H22C28 AB8C22D28 267.38 4.48 -8.64 -1.9 0
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309677 126554215 1 N10C27H30 A10B27C30 244.72 7.59 -8.43 -1.71 0
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309678 126554252 1 OSN7H23C27 ABC7D23E27 164.45 9.52 -8.65 -2.1 0
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309679 126554280 1 NO4C29H29 AB4C29D29 -108.22 5.4 -8.64 -0.56 0
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309680 126554323 1 N2O3C38H40 A2B3C38D40 -70.47 10.03 -8.28 -0.74 0
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309682 126554407 1 FO2N5H28C35 AB2C5D28E35 79.27 5.29 -8.16 -1.32 0
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309683 126554408 1 FO2N6H27C33 AB2C6D27E33 103.36 4.7 -8.47 -1.7 0
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309684 126554409 1 SO7N8C24H34 AB7C8D24E34 -191.14 2.7 -9.03 -1.04 0
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309685 126554419 1 N9C26H29 A9B26C29 179.79 7.3 -8.15 -2.01 0
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309686 126554464 1 FN5H20C26 AB5C20D26 169.64 7.9 -8.37 -1.74 0
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309687 126554476 2 NO3H7C9 AB3C7D9 -218.01 3.73 -10.23 -2.37 0
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309688 126554540 1 ClFSN2O3H10C12 ABCD2E3F10G12 -148.22 2.86 -9.15 -0.89 0
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309689 126554578 1 SO2N7H21C27 AB2C7D21E27 120.21 5.27 -8.9 -2.37 0
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309690 126554663 1 Cl2O2N8H22C27 A2B2C8D22E27 85.09 5.2 -9.7 -1.38 1
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309691 126554675 1 PN3O9C23H31 AB3C9D23E31 -407.06 5.0 0.0 0.0 0
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309692 126554774 1 OF2N7H21C27 AB2C7D21E27 72.41 6.0 -8.74 -2.21 0