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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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138613 52393388 1 ClSN2O3C15H23 ABC2D3E15F23 -116.03 4.66 -8.92 -0.87 1
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138614 52393522 1 N2C21H29 A2B21C29 57.95 4.33 0.0 0.0 1
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138615 52394527 1 O2N4C20H23 A2B4C20D23 10.74 7.32 0.0 0.0 1
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138616 52394715 1 ON3C19H30 AB3C19D30 8.54 3.84 0.0 0.0 1
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138617 52395024 1 ON4C18H25 AB4C18D25 27.65 2.53 0.0 0.0 1
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138618 52395053 1 ON3C17H24 AB3C17D24 35.76 3.68 0.0 0.0 0
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138619 52395054 1 O2N4C19H24 A2B4C19D24 -56.66 1.87 -9.5 -0.41 0
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138620 52395145 1 O2N3C20H27 A2B3C20D27 -58.41 2.3 -8.88 -0.4 0
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138621 52395419 1 N3O3C18H19 A3B3C18D19 -53.83 6.54 -8.63 -0.59 1
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138622 52395560 1 FON3C19H25 ABC3D19E25 -20.89 4.73 0.0 0.0 0
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138623 52395561 1 FON3C19H24 ABC3D19E24 -43.44 3.12 -8.32 -0.18 1
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138624 52395562 1 O2N4C19H25 A2B4C19D25 -23.33 3.66 0.0 0.0 0
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138625 52396030 1 ON4C24H28 AB4C24D28 21.56 6.25 -8.63 -0.49 0
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138626 52398150 1 N3O4C18H23 A3B4C18D23 -129.57 4.51 -9.07 -0.73 0
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138627 52398151 1 N3O4C18H23 A3B4C18D23 -130.62 3.44 -9.13 -0.73 1
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138628 52398232 1 N2O2C19H31 A2B2C19D31 -36.27 2.95 0.0 0.0 1
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138629 52398577 1 N2O3C25H35 A2B3C25D35 -8.25 3.06 0.0 0.0 0
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138630 52398578 1 O2N3C15H19 A2B3C15D19 -39.91 4.42 -9.38 -0.51 0
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138631 52398579 1 O2N3C15H19 A2B3C15D19 -38.21 2.86 -9.41 -0.42 1
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138632 52398643 1 N3O3C17H26 A3B3C17D26 -97.37 6.26 0.0 0.0 0
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138633 52398644 1 N3O3C17H25 A3B3C17D25 -116.18 5.6 -8.78 0.32 0
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138634 52398688 1 FN2O3C23H27 AB2C3D23E27 -154.1 7.93 -9.38 -0.23 1
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138635 52398689 1 ON6C20H29 AB6C20D29 56.11 1.98 0.0 0.0 0
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138636 52398690 1 N5C19H23 A5B19C23 123.34 3.55 -8.99 0.07 -1
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138637 52398812 1 O3N5C18H18 A3B5C18D18 9.35 14.54 0.0 0.0 1
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138638 52399111 1 NO2C17H26 AB2C17D26 -67.4 4.04 0.0 0.0 1
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138639 52399157 1 O2S2N7H16C20 A2B2C7D16E20 131.74 11.22 0.0 0.0 1
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138640 52399187 1 N2O2C21H35 A2B2C21D35 -79.03 0.85 0.0 0.0 0
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138641 52399535 1 SO2N5C16H19 AB2C5D16E19 -11.22 4.12 -9.22 -1.51 1
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138642 52399554 1 OSN3C18H28 ABC3D18E28 10.46 6.07 0.0 0.0 0
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138643 52399578 1 FON4H21C23 ABC4D21E23 39.43 3.65 -8.91 -0.52 0
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138644 52399644 1 FOSN2C22H23 ABCD2E22F23 -41.4 5.15 -9.27 -0.42 0
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138645 52399645 1 FOSN2C22H23 ABCD2E22F23 -39.94 4.84 -9.12 -0.27 0
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138646 52399689 1 SO3N5C16H17 AB3C5D16E17 -75.0 2.08 -8.72 -0.56 0
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138647 52400079 1 N3O4C18H23 A3B4C18D23 -75.05 4.76 -8.68 -0.4 0
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138648 52400321 1 O2N3C18H23 A2B3C18D23 -42.66 4.84 -9.1 -0.37 1
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138649 52400495 1 O3N4C17H23 A3B4C17D23 -81.2 4.43 0.0 0.0 0
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138650 52401040 1 N3O3C21H31 A3B3C21D31 -95.85 3.27 -8.58 -0.68 0
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138651 52401150 1 BrON5H16C19 ABC5D16E19 82.52 1.05 -9.19 -1.14 0
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138652 52401151 1 O4N5C22H23 A4B5C22D23 -26.32 6.82 -8.34 -0.78 1
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138653 52401793 1 OSN3C20H26 ABC3D20E26 47.58 7.11 0.0 0.0 0
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138654 52402417 1 F2N2O3H14C17 A2B2C3D14E17 -101.77 5.38 -9.21 -1.56 0
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138655 52402617 1 NO4C18H23 AB4C18D23 -155.66 4.03 -9.07 0.12 0
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138656 52402618 1 NO4C18H23 AB4C18D23 -155.05 5.76 -9.21 -0.05 -3
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138657 52402844 1 N2O5H9C13 A2B5C9D13 -94.26 9.21 0.0 0.0 -2
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138658 52402917 1 NSO6H19C23 ABC6D19E23 -69.06 42.51 -7.71 -3.6 1
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138659 52402918 1 N2O3C22H35 A2B3C22D35 -111.57 4.53 0.0 0.0 0
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138660 52402975 2 ON2C12H14 AB2C12D14 -24.38 4.98 -9.22 -0.37 0
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138661 52402976 1 SO3N4H16C18 AB3C4D16E18 -70.31 3.62 -8.69 -1.22 0
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138662 52403054 1 NOF7C18H24 ABC7D18E24 -389.68 4.03 -9.18 0.29 0
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138663 52403150 1 FN2S2O4C14H15 AB2C2D4E14F15 -155.56 3.41 -9.84 -0.93 1
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138664 52403339 1 N3O3C17H22 A3B3C17D22 -36.45 5.35 0.0 0.0 0
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138665 52403732 1 Cl2O2N3C17H21 A2B2C3D17E21 -73.3 7.63 -9.0 -0.55 1
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138666 52404212 1 N2O5C19H33 A2B5C19D33 -173.0 11.14 0.0 0.0 1
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138667 52404213 1 ON2C21H35 AB2C21D35 -41.85 3.81 0.0 0.0 0
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138668 52404214 1 ON2C21H34 AB2C21D34 -69.22 4.88 -8.53 0.15 0
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138669 52405094 2 ON2C10H12 AB2C10D12 -40.66 6.08 -9.08 -1.52 -1
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138670 52405116 1 FN2S2O3C18H20 AB2C2D3E18F20 -104.27 3.06 0.0 0.0 0
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138671 52405419 1 N2O4C21H30 A2B4C21D30 -147.64 6.41 -8.5 0.09 0
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138672 52405588 1 NSO4C18H23 ABC4D18E23 -139.26 4.52 -8.42 -0.4 0
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138673 52405589 1 OSN2C21H22 ABC2D21E22 26.07 3.57 -8.83 -0.77 0
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138674 52405590 1 O2S2N3C21H23 A2B2C3D21E23 12.43 6.08 -8.78 -0.98 0
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138675 52406035 1 NF2O2C14H19 AB2C2D14E19 -180.45 4.31 -9.27 -0.41 0
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138676 52406380 1 FNO5C19H20 ABC5D19E20 -195.55 3.76 -8.65 -0.3 1
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138677 52406928 1 N3O4C21H26 A3B4C21D26 -61.49 3.82 0.0 0.0 0
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138678 52406975 1 ClFON4C21H28 ABCD4E21F28 -61.63 3.97 -8.6 -0.92 0
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138679 52407230 1 N3O5C22H27 A3B5C22D27 -174.18 4.66 -8.79 -0.25 0
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138680 52407372 1 SN3O3C19H19 AB3C3D19E19 -41.97 1.21 -9.2 -0.96 0
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138681 52407551 1 ClO2N3H18C21 AB2C3D18E21 -17.28 1.43 -8.96 -1.08 0
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138682 52407609 1 SN3O4C16H23 AB3C4D16E23 -162.46 4.06 -9.27 -0.6 0
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138683 52407696 1 OCl2N4H14C17 AB2C4D14E17 46.5 2.25 -9.58 -0.67 0
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138684 52408246 1 SN4O5C19H22 AB4C5D19E22 -67.79 2.84 -9.64 -1.56 0
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138685 52408247 1 SN4O5C19H22 AB4C5D19E22 -66.94 8.61 -9.62 -1.44 0
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138686 52408248 1 ClFSN3O3C18H19 ABCD3E3F18G19 -105.58 6.92 -9.25 -0.97 0
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138687 52408451 1 SN2O4C22H30 AB2C4D22E30 -134.62 2.98 -8.62 -0.76 0
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138688 52408468 1 ClN2O6C19H19 AB2C6D19E19 -134.19 4.56 -9.29 -1.89 0
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138689 52408620 1 ClON4H15C17 ABC4D15E17 48.06 3.83 -9.0 -0.86 0
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138690 52408621 2 ClON2H8C9 ABC2D8E9 -0.76 6.79 -8.67 -0.84 0
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138691 52409328 1 BrNO3C21H24 ABC3D21E24 -64.69 1.12 -8.41 -0.52 0
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138692 52410272 1 SN2O5C20H22 AB2C5D20E22 -94.67 4.94 -8.78 -1.6 0
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138693 52410439 1 N3O3C20H21 A3B3C20D21 -75.42 3.4 -8.6 -1.04 0
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138694 52410440 4 NOC5H5 ABC5D5 -8.59 7.72 -8.93 -1.8 0
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138695 52411093 1 NO7C22H23 AB7C22D23 -252.44 2.15 -9.18 -1.15 0
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138696 52411338 1 N5O5C18H21 A5B5C18D21 -68.51 4.85 -9.36 -0.93 0
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138697 52411339 1 N3O3C19H21 A3B3C19D21 -43.16 1.06 -8.78 -0.62 0
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138698 52411340 1 N3O4C20H27 A3B4C20D27 -166.5 3.5 -8.73 -0.5 0
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138699 52411584 1 N2O4C19H20 A2B4C19D20 -41.08 4.48 -9.46 -1.48 0
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138700 52411916 1 N4O4C19H22 A4B4C19D22 -54.71 3.8 -9.08 -1.41 0
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138701 52412922 1 N2O2F3C19H21 A2B2C3D19E21 -186.86 2.97 -8.18 0.06 0
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138702 52413008 1 O2N5C18H25 A2B5C18D25 -71.96 4.01 -8.94 -0.18 0
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138703 52413096 1 N2S2O3C17H20 A2B2C3D17E20 -50.31 2.03 -9.44 -0.97 1
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138704 52413097 1 ClO2N4C22H32 AB2C4D22E32 -31.95 15.93 0.0 0.0 1
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138705 52413133 1 N4O4C21H33 A4B4C21D33 -147.95 5.28 0.0 0.0 0
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138706 52413134 1 N4O4C21H32 A4B4C21D32 -165.08 5.29 -9.2 -0.21 1
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138707 52413254 1 FN3O3C18H21 AB3C3D18E21 -81.18 2.32 0.0 0.0 1
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138708 52413441 1 OSN4C23H27 ABC4D23E27 55.73 3.07 0.0 0.0 0
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138709 52414015 1 SN2O4C21H26 AB2C4D21E26 -160.08 7.7 -9.32 -0.89 0
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138710 52414085 1 O3N5C19H31 A3B5C19D31 -139.3 3.93 -9.07 -0.28 0
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138711 52414670 1 Cl2O2N3C20H29 A2B2C3D20E29 -115.48 6.02 -9.25 -0.31 0
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138712 52415044 1 N3O4C21H33 A3B4C21D33 -196.18 5.55 -8.62 0.29 0