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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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222735 85332198 1 N4O4C29H40 A4B4C29D40 -136.07 7.59 -8.54 -0.43 0
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222736 85332204 1 FSO4N5C24H36 ABC4D5E24F36 -172.06 5.95 -8.8 -0.89 -1
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222737 85332219 1 ClO3N7C24H29 AB3C7D24E29 -2.05 4.83 0.0 0.0 1
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222739 85332225 1 O2N7C28H37 A2B7C28D37 5.36 4.18 -8.25 -0.63 0
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222740 85332244 1 O2F3N6H21C26 A2B3C6D21E26 -33.89 5.88 -8.95 -1.35 0
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222741 85332260 1 BrN2O3C26H35 AB2C3D26E35 -61.84 26.08 -6.14 -1.59 0
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222743 85332266 1 SN3O5C26H37 AB3C5D26E37 -136.71 5.61 -8.51 -0.86 0
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222744 85332268 1 S2N3O4C25H33 A2B3C4D25E33 -107.07 3.29 -8.78 -0.86 0
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222745 85332285 1 N3O5C28H47 A3B5C28D47 -286.7 4.08 -9.43 -0.46 0
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222746 85332287 1 Na2P2O11C17H18 A2B2C11D17E18 -555.22 40.26 -6.66 -1.15 0
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222747 85332288 1 BrFN3O5H21C22 ABC3D5E21F22 -204.27 3.43 -8.87 -0.85 0
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222748 85332304 1 N4O5C28H36 A4B5C28D36 -116.51 5.28 -9.28 -1.45 0
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222749 85332314 1 SN5O5C25H27 AB5C5D25E27 -144.62 4.36 -8.59 -1.16 0
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222750 85332326 1 ClF2N4O5C23H25 AB2C4D5E23F25 -236.54 7.29 -8.99 -0.83 0
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222752 85332363 1 SN2F4O5H22C23 AB2C4D5E22F23 -376.89 2.47 -9.62 -1.25 0
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222753 85332387 1 BN4O5C28H35 AB4C5D28E35 -241.1 3.16 -9.02 -0.85 0
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222754 85332388 1 F2O3N4H28C29 A2B3C4D28E29 -139.68 1.86 -8.67 -0.74 0
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222756 85332408 1 FS2N3O3C26H34 AB2C3D3E26F34 -157.24 1.4 -8.6 -0.46 0
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222757 85332409 1 SiN3O4C29H37 AB3C4D29E37 -141.79 6.12 -8.62 -0.63 0
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222759 85332422 1 SiN4O4C28H36 AB4C4D28E36 -133.83 6.36 -8.88 -0.83 0
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222760 85332423 1 F3N7C28H30 A3B7C28D30 -25.62 4.42 -8.65 -0.78 0
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222761 85332425 1 O2F4N6C25H30 A2B4C6D25E30 -192.98 6.57 -8.62 -1.03 0
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222762 85332427 1 N2O9C26H38 A2B9C26D38 -378.68 1.99 -9.82 -0.55 0
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222763 85332428 1 ClN2O4F6C22H25 AB2C4D6E22F25 -467.93 6.65 -9.89 -1.05 0
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222764 85332429 1 ON6C30H62 AB6C30D62 -121.17 4.73 -8.64 0.9 0
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222765 85332431 1 FO2S2N4H19C22 AB2C2D4E19F22 9.35 6.1 -8.85 -1.76 1
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222766 85332432 1 SN3O7C26H26 AB3C7D26E26 -172.38 4.23 0.0 0.0 0
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222767 85332433 1 N5O8C24H37 A5B8C24D37 -362.69 6.72 -8.92 -0.07 0
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222768 85332434 1 N3O3C33H37 A3B3C33D37 10.55 1.68 -8.6 -0.8 0
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222769 85332435 1 ClSeN2O5C23H25 ABC2D5E23F25 21.05 20.77 -8.52 -1.81 0
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222770 85332437 1 ClNO7C27H38 ABC7D27E38 -287.13 7.85 -9.38 -0.58 0
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222771 85332438 1 BrSO2N5C24H28 ABC2D5E24F28 10.41 7.79 -8.82 -0.75 0
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222772 85332439 1 O7N8C23H24 A7B8C23D24 -199.95 7.51 -9.4 -1.01 0
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222773 85332440 1 N6O7C25H28 A6B7C25D28 -132.19 7.06 -9.71 -1.53 0
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222774 85332442 1 N6O7C24H40 A6B7C24D40 -351.05 6.92 -9.69 0.01 0
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222775 85332444 1 O3N4C32H36 A3B4C32D36 -20.25 5.26 -8.3 -0.28 0
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222776 85332445 1 O2N4C33H40 A2B4C33D40 -20.88 5.1 -8.21 -0.35 0
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222777 85332446 1 SCl2N2O5C24H26 AB2C2D5E24F26 2.41 17.63 -8.67 -2.05 0
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222780 85332451 1 SN3O4C29H39 AB3C4D29E39 -140.94 6.52 -8.68 -0.56 0
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222781 85332452 1 NO4C33H51 AB4C33D51 -187.89 3.87 -8.99 0.22 0
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222783 85332455 1 N2O2F7H21C26 A2B2C7D21E26 -376.39 7.54 -8.84 -1.07 0
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222784 85332456 1 NCl2O5C27H37 AB2C5D27E37 -237.41 2.87 -9.34 -0.68 0
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222786 85332465 1 OSN2C33H54 ABC2D33E54 -109.69 5.15 -8.8 -0.51 0
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222787 85332466 1 ClSO3N4C27H31 ABC3D4E27F31 -67.52 5.35 -8.98 -0.53 0
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222788 85332467 1 ClSO3N4C27H31 ABC3D4E27F31 -60.69 6.89 -9.4 -0.81 0
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222789 85332468 1 ClOSC33H47 ABCD33E47 -70.89 2.44 -8.52 -0.37 0
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222790 85332469 1 PF2N3O9H20C21 AB2C3D9E20F21 -423.28 7.89 -9.7 -0.87 0
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222791 85332472 1 N3O7C28H37 A3B7C28D37 -273.28 14.67 -9.17 -0.85 0
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222792 85332475 1 SN3O5C28H37 AB3C5D28E37 -152.58 4.03 -8.51 -0.15 0
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222794 85332518 1 BrSiN3O3C25H34 ABC3D3E25F34 -134.25 6.02 -8.81 -0.77 0
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222795 85332523 1 N4O5C30H36 A4B5C30D36 -146.41 2.17 -8.65 -1.08 0
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222796 85332527 2 O3C16H26 A3B16C26 -344.53 4.58 -9.88 0.41 3
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222797 85332529 1 FeSiN3O6C23H35 ABC3D6E23F35 -66.15 6.0 -7.62 -1.24 0
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222798 85332530 1 NS2F5O5H16C22 AB2C5D5E16F22 -358.93 6.35 -9.04 -2.06 0
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222799 85332534 1 F2N3O4H29C30 A2B3C4D29E30 -186.25 2.83 -8.71 -0.81 0
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222800 85332557 1 O2N7C31H41 A2B7C31D41 -9.69 9.92 -8.54 -0.36 0
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222801 85332565 1 ClSN2F3O5C24H26 ABC2D3E5F24G26 -372.38 8.71 -8.5 -0.92 0
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222802 85332567 1 ClF2N4O5C25H27 AB2C4D5E25F27 -214.18 4.39 -8.8 -0.75 0
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222803 85332568 1 O2Cl4N5C22H33 A2B4C5D22E33 -150.69 5.75 -8.64 -0.64 0
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222805 85332579 1 ClO3N5C29H35 AB3C5D29E35 -38.12 3.44 0.0 0.0 0
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222806 85332581 1 BrON5H28C29 ABC5D28E29 65.77 4.77 -8.12 -0.68 1
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222807 85332582 1 ON5H28C29 AB5C28D29 90.94 3.73 0.0 0.0 0
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222808 85332589 2 SN2O3C12H17 AB2C3D12E17 -212.77 7.76 -8.77 -0.32 0
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222809 85332602 2 ON5C14H16 AB5C14D16 55.51 5.09 -8.33 -0.59 0
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222810 85332603 2 ON5C14H16 AB5C14D16 59.36 3.15 -8.82 -0.27 0
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222811 85332604 2 ON5C14H16 AB5C14D16 59.3 0.76 -8.78 -0.4 0
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222812 85332605 1 SN4O4C29H40 AB4C4D29E40 -146.9 6.95 -9.53 -0.54 0
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222813 85332606 1 ClN2F3O4C27H32 AB2C3D4E27F32 -312.99 4.55 -8.02 -0.71 0
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222814 85332607 1 N2F3O4C27H31 A2B3C4D27E31 -276.27 5.48 -7.96 -0.66 0
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222815 85332608 1 SN5O5C27H35 AB5C5D27E35 -126.07 9.46 -8.71 -0.56 0
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222816 85332612 1 SN2O3C33H38 AB2C3D33E38 -44.43 4.01 -7.66 -0.48 0
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222817 85332618 1 O6N7C25H49 A6B7C25D49 -330.37 10.33 -9.36 0.04 0
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222818 85332625 1 SN2O5C30H44 AB2C5D30E44 -199.12 6.8 -8.68 -0.15 0
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222819 85332626 1 SN3O7H23C28 AB3C7D23E28 -193.23 6.71 -8.97 -1.31 0
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222820 85332627 1 SN5O5C28H39 AB5C5D28E39 -174.23 7.78 -8.84 -0.87 0