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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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441657 135238947 1 N3O4C16H25 A3B4C16D25 -171.51 2.35 -8.77 0.13 0
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441658 135238971 1 ClN3O5C17H20 AB3C5D17E20 -162.04 4.42 -9.28 -0.92 0
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441659 135238978 1 ClF3O3N4C19H20 AB3C3D4E19F20 -217.78 2.31 -9.16 -0.74 0
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441660 135239119 2 N4H12C13 A4B12C13 192.29 4.21 -8.58 -2.08 0
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441661 135239145 1 SN6H26C32 AB6C26D32 222.32 5.11 -8.45 -1.79 0
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441662 135239201 2 N3C13H13 A3B13C13 164.89 4.1 -8.5 -1.84 0
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441663 135239220 1 FON7C35H36 ABC7D35E36 92.79 7.27 -8.39 -1.73 0
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441664 135239386 1 ClSN4C11H13 ABC4D11E13 56.31 5.92 -8.79 -0.99 0
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441665 135239440 1 NF3O4C9H14 AB3C4D9E14 -342.77 9.97 -10.14 0.13 1
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441666 135239524 1 O2N5C28H44 A2B5C28D44 -7.53 2.17 0.0 0.0 0
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441667 135239587 2 O2C13H15 A2B13C15 -146.37 0.23 -8.24 -1.16 0
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441668 135239590 2 O3C13H13 A3B13C13 -159.34 0.39 -8.29 -1.39 0
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441669 135239635 2 O3C15H19 A3B15C19 -243.79 1.26 -8.33 -1.34 0
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441670 135239657 2 O3C16H21 A3B16C21 -255.65 1.77 -8.32 -1.32 0
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441671 135239723 2 O2C16H21 A2B16C21 -176.21 0.29 -8.24 -1.17 0
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441672 135239772 2 O3C15H19 A3B15C19 -241.38 0.41 -8.23 -1.32 0
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441673 135239774 2 IO3C15H18 AB3C15D18 -199.19 0.95 -8.35 -1.55 0
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441674 135239852 1 ClON2H5C6 ABC2D5E6 33.5 2.25 -10.3 -1.25 0
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441675 135239971 1 NO3C22H41 AB3C22D41 -201.29 1.79 -9.55 0.52 0
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441676 135239988 1 NO3C20H37 AB3C20D37 -191.87 1.87 -9.77 0.52 0
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441677 135240055 1 SO3N7H19C21 AB3C7D19E21 -3.58 4.05 -8.91 -1.57 0
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441678 135240086 1 Cl2N7O10C37H47 A2B7C10D37E47 -234.36 12.78 -9.05 -1.61 0
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441679 135240198 1 SF3N3H14C16 AB3C3D14E16 -88.58 4.94 -8.63 -0.85 0
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441680 135240203 1 SO3N6C24H26 AB3C6D24E26 -52.88 4.52 -8.47 -0.87 0
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441681 135240343 1 SF2O3N7C29H33 AB2C3D7E29F33 -111.28 5.26 -8.37 -1.02 0
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441682 135240344 1 FSO4N7C31H38 ABC4D7E31F38 -114.47 8.97 -8.4 -0.79 0
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441683 135240351 1 NO3C12H23 AB3C12D23 -180.56 1.77 -9.42 0.68 0
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441684 135240377 1 N5C16H23 A5B16C23 42.29 4.22 -8.43 -0.17 0
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441685 135240490 2 N2C9H10 A2B9C10 84.18 3.7 -7.87 -0.54 0
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441686 135240529 1 ON4C6H10 AB4C6D10 14.15 2.8 -8.62 -0.39 0
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441687 135240540 1 O2N5C17H25 A2B5C17D25 -58.96 7.62 -8.92 -0.87 0
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441688 135240627 1 F5N6H19C20 A5B6C19D20 -162.83 4.99 -9.21 -1.49 0
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441689 135240656 1 N3O3C23H31 A3B3C23D31 -94.24 3.74 -8.71 -0.35 0
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441690 135240748 1 F3N6C21H23 A3B6C21D23 -49.69 6.99 -8.36 -0.67 0
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441691 135240811 1 SN2O5C17H24 AB2C5D17E24 -206.11 3.11 -9.65 -0.11 0
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441692 135240814 1 N5C13H19 A5B13C19 44.99 4.33 -8.42 -0.41 0
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441693 135240867 1 ON9C24H25 AB9C24D25 115.44 5.83 -8.66 -1.37 0
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441694 135240880 1 BrN3C14H14 AB3C14D14 76.1 2.21 -8.89 -0.77 0
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441695 135241073 1 N2O3C15H26 A2B3C15D26 -147.49 6.64 -9.21 0.38 0
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441696 135241139 1 FSN3O3C6H8 ABC3D3E6F8 -114.24 7.51 -10.05 -0.24 0
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441697 135241162 1 ClOSN7C21H26 ABCD7E21F26 29.97 1.89 -8.75 -1.06 0
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441698 135241168 1 BrSN3O3C20H22 ABC3D3E20F22 -45.83 7.92 -9.18 -0.89 0
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441699 135241204 1 O2F3N7H18C21 A2B3C7D18E21 -89.22 6.45 -9.3 -0.95 0
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441700 135241235 1 NO3H25C26 AB3C25D26 -52.84 10.58 -8.85 -0.57 0
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441701 135241242 1 O2N9H21C22 A2B9C21D22 87.92 9.25 -8.73 -1.42 0
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441702 135241388 1 NO3C13H17 AB3C13D17 -109.66 7.03 -10.09 -0.46 0
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441703 135241434 1 O3N8H26C30 A3B8C26D30 94.42 9.9 -9.09 -1.28 0
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441704 135241451 1 ON8H22C23 AB8C22D23 130.74 8.03 -9.29 -0.97 0
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441705 135241510 1 BrN3O3C8H10 AB3C3D8E10 -75.09 6.41 -9.09 0.01 0
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441706 135241512 1 IO3N8C29H29 AB3C8D29E29 70.66 2.31 -9.44 -1.32 0
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441707 135241562 1 ION8H19C22 ABC8D19E22 158.36 3.11 -9.16 -1.2 0
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441708 135241576 1 BrON3C8H12 ABC3D8E12 17.98 5.7 -8.98 0.15 0
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441709 135241584 1 ClNSO3F5H7C10 ABCD3E5F7G10 -321.05 1.83 -10.27 -1.84 0
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441710 135241591 1 NO3C21H27 AB3C21D27 -107.75 4.02 -9.03 0.15 0
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441711 135241604 1 O2N9H25C26 A2B9C25D26 104.32 9.63 -9.01 -0.99 0
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441712 135241621 1 O2N9H21C24 A2B9C21D24 118.63 9.78 -9.25 -1.11 0
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441713 135241654 1 NOC11H15 ABC11D15 -33.22 4.22 -9.69 -0.24 0
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441714 135241680 1 NO4H25C26 AB4C25D26 -92.57 9.49 -8.86 -0.54 0
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441715 135241697 1 SN3F5O6H28C30 AB3C5D6E28F30 -361.8 7.49 -9.29 -1.9 0
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441716 135241751 1 SN2F5O7H23C28 AB2C5D7E23F28 -426.14 8.26 -9.52 -2.2 0
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441717 135241775 1 NOC11H13 ABC11D13 -11.54 2.95 -9.05 -0.56 0
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441718 135241834 1 BrFN2H18C26 ABC2D18E26 127.37 6.97 -9.02 -1.51 0
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441719 135241874 1 SN3F5O6H32C36 AB3C5D6E32F36 -316.86 5.29 -9.38 -1.89 0
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441720 135241881 1 OSCl2N5C21H23 ABC2D5E21F23 29.47 4.55 -8.83 -1.19 0
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441721 135241967 1 O2N8H22C23 A2B8C22D23 88.49 10.17 -9.28 -0.9 0
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441722 135241969 1 SN2F5O6H33C37 AB2C5D6E33F37 -363.34 4.7 -9.47 -1.85 0
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441723 135242012 1 FO2N7C22H22 AB2C7D22E22 11.61 8.27 -8.91 -0.76 0
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441724 135242013 4 N2H4C5 A2B4C5 180.29 6.94 -9.3 -0.96 0
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441725 135242036 1 Cl2O2N7H23C24 A2B2C7D23E24 33.26 6.35 -9.25 -0.87 0
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441726 135242047 1 ClOSN7C21H26 ABCD7E21F26 42.44 2.01 -8.71 -1.08 0
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441727 135242055 1 FO2N8H23C25 AB2C8D23E25 34.88 7.74 -9.46 -1.1 0
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441728 135242083 1 O2N9H17C21 A2B9C17D21 104.13 4.01 -9.45 -1.1 0
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441729 135242111 1 IO3N8H29C32 AB3C8D29E32 100.49 4.16 -9.14 -1.08 0
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441730 135242126 1 SN4F5O5H29C30 AB4C5D5E29F30 -346.77 8.29 -9.46 -1.57 0
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441731 135242151 1 SN3F5O6H40C44 AB3C5D6E40F44 -295.48 2.38 -9.12 -1.96 0