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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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340609 127262620 1 BrNSO3H6C9 ABCD3E6F9 -92.41 7.43 -9.06 -1.47 0
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340610 127262621 1 N4O11C20H30 A4B11C20D30 -487.3 9.67 -9.94 -0.72 0
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340611 127262622 1 Cl2N2C17H28 A2B2C17D28 -66.4 0.87 -8.74 0.42 0
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340612 127262623 1 BrNO2H16C18 ABC2D16E18 -28.31 2.38 -9.81 -1.02 0
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340613 127262624 1 SiN2O3C23H36 AB2C3D23E36 -181.35 5.07 -8.94 -0.61 0
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340614 127262625 1 NSO2H21C23 ABC2D21E23 -8.01 6.78 -9.28 -0.4 0
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340615 127262626 1 AuNPSbF6C35H57 ABCDE6F35G57 -272.1 7.55 0.0 0.0 0
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340617 127262628 1 CrPO5C11H21 ABC5D11E21 -305.85 3.76 -7.27 0.34 1
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340618 127262629 1 CrPO5C25H41 ABC5D25E41 -148.28 14.18 -5.75 -0.32 3
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340622 127262633 1 CuIPC21H22 ABCD21E22 120.34 8.43 0.0 0.0 3
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340624 127262635 1 AuClHPF15C18 ABCDE15F18 -498.19 9.41 0.0 0.0 2
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340625 127262636 1 NiCl2P2C10H26 AB2C2D10E26 -112.6 29.66 -6.09 -0.75 0
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340626 127262637 1 NO2C10H21 AB2C10D21 -124.61 2.65 -9.87 0.75 0
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340627 127262638 1 N4C11H14 A4B11C14 60.43 6.43 -10.01 -1.19 4
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340629 127262640 1 AuBrPH16C18 ABCD16E18 108.28 10.21 0.0 0.0 0
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340630 127262641 1 SN4O5C27H38 AB4C5D27E38 -212.53 7.27 -9.2 -0.75 0
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340631 127262642 1 AlN2O2Cl3C36H54 AB2C2D3E36F54 -148.83 2.65 -8.12 -2.18 1
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340632 127262643 1 AuClPH12C14 ABCD12E14 198.89 14.29 0.0 0.0 -1
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340633 127262644 1 AuClNC12H22 ABCD12E22 9.76 12.18 0.0 0.0 1
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340634 127262645 1 AuClPC12H20 ABCD12E20 26.94 15.75 0.0 0.0 1
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340635 127262646 1 AuPCl4H13C18 ABC4D13E18 85.7 15.82 0.0 0.0 1
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340636 127262647 1 AuClPF3H13C18 ABCD3E13F18 -45.24 12.58 0.0 0.0 -1
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340637 127262648 1 AuClPC21H24 ABCD21E24 115.49 15.53 0.0 0.0 1
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340640 127262651 1 AuPH19C20 ABC19D20 218.48 14.53 0.0 0.0 1
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340641 127262652 1 AuPH17C20 ABC17D20 289.72 8.98 0.0 0.0 1
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340642 127262653 1 AuPC22H25 ABC22D25 168.45 23.3 0.0 0.0 1
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340643 127262654 1 AuPH21C24 ABC21D24 228.5 8.67 0.0 0.0 2
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340644 127262655 1 AuClP2O4C26H28 ABC2D4E26F28 36.61 11.5 -8.7 -0.9 3
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340647 127262658 1 MnC2H2S2F6O6 AB2C2D2E6F6 -485.81 3.37 0.0 0.0 1
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340649 127262660 1 AuClPC24H32 ABCD24E32 77.97 18.95 0.0 0.0 0
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340651 127262662 1 OPN2F6C18H27 ABC2D6E18F27 -474.16 3.9 -9.3 0.04 0
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340652 127262663 1 ClON2C18H27 ABC2D18E27 -65.47 6.99 -9.32 0.0 0
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340653 127262664 1 O2P2H40C43 A2B2C40D43 39.17 1.87 -8.33 0.06 0
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340654 127262665 2 NPH20C21 ABC20D21 141.79 3.25 -8.06 0.1 0
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340655 127262666 1 N2P2H42C43 A2B2C42D43 117.26 3.67 -8.11 0.22 0
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340656 127262667 2 NPC22H22 ABC22D22 123.53 2.54 -7.87 0.04 0
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340657 127262668 1 NO2P2H31C38 AB2C2D31E38 15.09 3.29 -8.42 -0.73 0
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340658 127262669 1 BrNPSH29C33 ABCDE29F33 142.7 39.07 -5.17 -1.89 1
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340659 127262670 1 NPSH29C33 ABCD29E33 125.18 9.43 0.0 0.0 0
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340660 127262671 1 OPSH17C24 ABCD17E24 63.25 1.19 -8.17 -0.42 0
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340661 127262672 1 NPO2H24C36 ABC2D24E36 65.47 4.61 -8.36 -0.87 0
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340662 127262673 1 INPSH29C33 ABCDE29F33 95.65 4.5 -7.74 -0.3 0
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340663 127262674 1 OSP2N4C44H46 ABC2D4E44F46 105.66 1.91 -7.54 -0.2 0
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340664 127262675 1 SP2O5H34C40 AB2C5D34E40 -58.42 2.89 -8.09 -0.41 0
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340665 127262676 1 OSP2F4H22C36 ABC2D4E22F36 -87.23 2.09 -8.35 -0.66 0
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340666 127262677 1 NPO2H26C39 ABC2D26E39 83.59 7.09 -8.9 -1.29 0
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340667 127262678 1 NOPH28C42 ABCD28E42 147.61 1.29 -8.17 -0.8 0
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340668 127262679 2 OPH21C22 ABC21D22 75.13 3.9 -8.52 -1.19 0
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340669 127262680 1 O2P2H44C45 A2B2C44D45 28.34 2.82 -8.39 0.05 0
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340670 127262681 1 NP2H31C42 AB2C31D42 170.87 1.59 -8.22 -0.55 0
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340671 127262682 1 OSP2Cl4H22C36 ABC2D4E22F36 63.48 5.13 -8.43 -0.74 0
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340672 127262683 1 SiN2P2O5H36C40 AB2C2D5E36F40 -175.23 4.8 -8.15 -0.32 0
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340673 127262684 2 ClNPH15C19 ABCD15E19 68.87 1.22 -7.18 -0.44 2
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340674 127262685 2 NPH15C19 ABC15D19 167.95 1.58 -5.66 0.11 0
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340675 127262686 2 PF3C14H20 AB3C14D20 -500.67 22.83 -9.86 -1.1 1
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340676 127262687 1 PC28H40 AB28C40 -13.67 8.52 0.0 0.0 0
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340677 127262688 1 PN2C22H31 AB2C22D31 19.83 2.6 -7.78 0.58 0
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340678 127262689 1 PO2C24H31 AB2C24D31 -88.89 1.26 -7.76 -0.03 0
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340679 127262690 1 PN2C29H43 AB2C29D43 -24.54 2.6 -8.26 0.41 0
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340680 127262691 1 PC32H35 AB32C35 33.71 1.37 -8.12 -0.85 0
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340681 127262692 1 NPC28H40 ABC28D40 -28.38 2.19 -8.1 0.19 0
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340682 127262693 1 NOPC21H22 ABCD21E22 -6.37 5.76 -8.43 0.06 0
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340683 127262694 1 NPC31H44 ABC31D44 -10.37 2.89 -8.47 -0.02 0
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340684 127262695 1 NOPC34H36 ABCD34E36 -2.37 4.72 -8.11 0.06 0
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340685 127262696 1 NPC18H22 ABC18D22 18.87 2.15 -8.04 0.24 0
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340686 127262697 1 PC27H37 AB27C37 -15.98 1.27 -8.24 0.39 0
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340687 127262698 1 NPO2H24C26 ABC2D24E26 8.59 2.44 -8.32 -0.12 0
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340688 127262699 1 NOPC20H32 ABCD20E32 -91.29 5.77 -8.33 0.32 0
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340689 127262700 1 BrNPC27H27 ABCD27E27 73.83 14.02 -7.07 -0.83 1
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340690 127262701 1 NPC27H27 ABC27D27 95.79 6.63 0.0 0.0 0
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340691 127262702 1 NPC22H34 ABC22D34 -26.26 0.8 -7.74 0.27 0
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340692 127262703 1 INPC25H41 ABCD25E41 -59.49 12.89 -6.98 -0.04 1
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340693 127262704 1 NPC25H41 ABC25D41 -30.13 5.41 0.0 0.0 0
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340694 127262705 1 ClPO2C25H34 ABC2D25E34 -123.21 3.47 -7.98 -0.1 0
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340695 127262706 1 OPC28H33 ABC28D33 -48.07 4.07 -8.48 -0.16 0