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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193642 78417813 1 N2O6C37H38 A2B6C37D38 -153.98 2.51 -8.97 -1.26 0
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193643 78418045 2 O5C11H16 A5B11C16 -429.34 3.37 -10.17 0.3 0
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193644 78418161 1 N2O5C24H34 A2B5C24D34 -205.29 3.96 -9.51 0.18 0
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193645 78418687 1 SN4O6C27H34 AB4C6D27E34 -244.07 5.56 -8.9 -0.46 0
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193646 78419016 1 OSN4C24H36 ABC4D24E36 -62.85 8.64 -8.37 0.12 0
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193647 78419017 1 SN3O5H13C14 AB3C5D13E14 -122.16 2.42 -10.32 -2.25 0
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193648 78419018 1 SN3O6C21H21 AB3C6D21E21 -156.89 7.17 -8.23 -2.04 1
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193649 78419097 1 ClO2N3C20H21 AB2C3D20E21 -39.96 1.92 0.0 0.0 0
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193650 78419201 1 NO4C13H25 AB4C13D25 -232.17 5.0 -9.6 0.12 0
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193651 78419382 1 ClNO7H32C33 ABC7D32E33 -185.2 6.9 -8.98 -0.79 0
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193652 78419490 1 NO8C31H35 AB8C31D35 -312.66 6.96 -9.03 -1.21 0
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193653 78419633 1 NO7C31H35 AB7C31D35 -288.77 7.73 -8.88 -1.06 0
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193654 78419671 1 N2O8H32C33 A2B8C32D33 -196.83 8.86 -8.66 -1.43 0
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193657 78419674 1 NO6C27H29 AB6C27D29 -214.68 3.82 -8.94 -1.02 0
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193658 78419675 1 NO8C31H35 AB8C31D35 -320.21 9.38 -8.59 -1.16 0
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193659 78420366 1 FP2N5O17C41H68 AB2C5D17E41F68 -926.71 11.69 -9.52 -0.48 0
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193660 78421385 1 O5N6C21H22 A5B6C21D22 -71.76 5.23 -9.14 -1.47 0
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193661 78421408 1 N5O6C13H13 A5B6C13D13 -114.53 5.08 -9.84 -2.22 1
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193662 78421409 1 ClFON5H14C16 ABCD5E14F16 58.06 3.26 0.0 0.0 0
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193663 78421581 1 SN3O7C21H31 AB3C7D21E31 -320.32 4.51 -9.46 -0.19 0
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193664 78421582 2 NO4C11H13 AB4C11D13 -286.33 9.17 -8.53 -1.1 0
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193665 78421962 1 BrN5O6H16C18 AB5C6D16E18 -16.05 27.69 -7.91 -3.02 1
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193666 78422141 1 SN5O5C26H30 AB5C5D26E30 -46.08 8.46 0.0 0.0 1
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193667 78422142 1 ClSO2N5H27C28 ABC2D5E27F28 68.07 16.0 0.0 0.0 1
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193668 78422143 1 BrSO3N5C24H25 ABC3D5E24F25 79.53 15.06 0.0 0.0 1
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193669 78422161 1 SN5O5C22H30 AB5C5D22E30 -71.53 10.25 0.0 0.0 1
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193670 78422162 1 SO4N5C27H32 AB4C5D27E32 -6.42 16.47 0.0 0.0 0
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193671 78422696 1 N4O5H12C15 A4B5C12D15 -3.95 6.96 -8.83 -2.41 1
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193672 78422697 1 SN4C15H19 AB4C15D19 88.06 1.98 0.0 0.0 1
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193673 78422752 1 NO4C18H22 AB4C18D22 -95.11 3.9 0.0 0.0 1
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193674 78422753 1 NF2O2C19H22 AB2C2D19E22 -116.6 4.8 0.0 0.0 1
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193675 78422754 1 NO3C19H24 AB3C19D24 -65.1 4.5 0.0 0.0 0
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193676 78422755 1 N2O2H20C21 A2B2C20D21 -15.39 3.26 -9.5 -0.32 1
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193677 78422756 1 NO3C21H28 AB3C21D28 -71.0 1.92 0.0 0.0 -1
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193678 78422842 1 O3N6C12H13 A3B6C12D13 21.4 4.8 0.0 0.0 -1
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193679 78422878 1 O4C16H17 A4B16C17 -103.18 4.4 0.0 0.0 0
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193680 78422879 1 NO5C16H19 AB5C16D19 -191.53 15.77 -9.04 -1.83 0
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193681 78422880 1 ClNO3C16H20 ABC3D16E20 -130.47 9.65 -9.73 -0.9 1
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193682 78423046 1 NO2C19H24 AB2C19D24 -26.52 2.66 0.0 0.0 0
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193683 78423418 1 FNO2C9H10 ABC2D9E10 -106.9 9.72 -9.82 -0.59 1
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193684 78423435 1 SO2N3C12H16 AB2C3D12E16 -10.18 12.95 0.0 0.0 -1
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193685 78423819 1 SO3C12H13 AB3C12D13 -89.04 3.78 0.0 0.0 -1
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193686 78423905 1 NCl2O2H4C10 AB2C2D4E10 27.5 4.6 0.0 0.0 1
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193687 78424264 1 N2O2C13H19 A2B2C13D19 7.17 13.47 0.0 0.0 1
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193688 78424279 1 ON2C16H25 AB2C16D25 -13.69 3.46 0.0 0.0 1
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193689 78424357 1 SO2N3C18H22 AB2C3D18E22 18.71 6.62 0.0 0.0 1
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193690 78424676 1 O2N3C17H32 A2B3C17D32 -104.81 6.25 0.0 0.0 1
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193691 78424677 1 NSO2C10H20 ABC2D10E20 -98.85 2.24 0.0 0.0 -1
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193692 78424678 1 FNSO3H13C17 ABCD3E13F17 -107.51 2.11 0.0 0.0 1
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193693 78425150 1 N2O2C21H33 A2B2C21D33 -84.53 4.87 0.0 0.0 -1