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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84450 49866464 1 PN5O7C11H16 AB5C7D11E16 -315.74 2.23 -8.99 -0.42 0
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84451 49866471 1 PN5O6C10H14 AB5C6D10E14 -259.0 1.99 -9.04 -0.68 2
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84452 49866472 1 PtSN6C20H30 ABC6D20E30 126.52 13.65 -7.63 -1.75 0
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84453 49866477 1 N5C10H11 A5B10C11 101.94 7.03 -9.59 -1.23 0
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84454 49866478 1 S3N4O6C22H24 A3B4C6D22E24 -170.37 3.63 -8.74 -1.68 1
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84455 49866480 1 N2O4H23C25 A2B4C23D25 -68.94 4.32 0.0 0.0 0
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84456 49866481 1 SN2O2C9H10 AB2C2D9E10 -44.09 7.21 -8.72 -0.45 0
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84457 49866483 1 PN4O8C29H41 AB4C8D29E41 -379.42 7.37 -9.3 0.32 0
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84458 49866490 1 SN2F3O7C22H23 AB2C3D7E22F23 -314.92 1.65 -9.03 -1.73 0
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84459 49866497 4 OC6H7 AB6C7 -148.68 7.3 -8.69 -0.63 0
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84460 49866507 1 PN3O9C11H16 AB3C9D11E16 -435.17 5.54 -9.98 -1.06 0
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84461 49866514 1 PN3O7C12H16 AB3C7D12E16 -334.58 3.83 -8.75 -0.86 0
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84462 49866515 1 P4C17O22H36 A4B17C22D36 -1292.25 7.86 -10.78 -0.39 0
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84463 49866517 1 PSN3O5C10H16 ABC3D5E10F16 -243.6 8.21 -9.39 -0.3 -4
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84464 49866518 1 P4N7C20O20H25 A4B7C20D20E25 -931.44 6.62 -9.19 -2.46 0
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84465 49866519 1 O4C25H30 A4B25C30 -156.45 5.51 -8.86 -0.87 0
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84466 49866520 1 O2N4H14C15 A2B4C14D15 5.74 4.04 -8.36 -0.26 0
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84467 49866521 1 SN4O5C18H20 AB4C5D18E20 -118.39 3.22 -8.45 -1.57 0
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84468 49866523 3 OC6H6 AB6C6 -105.41 6.49 -8.85 -0.5 0
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84469 49866566 1 FeO2N4H30C32 AB2C4D30E32 32.39 2.94 -7.27 -1.11 4
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84470 49866589 1 PtN5C6H25 AB5C6D25 15.62 6.86 -8.22 -0.24 0
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84471 49866597 1 SO3N7C18H29 AB3C7D18E29 -78.02 2.5 -8.78 -0.9 0
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84472 49866626 1 BN3O4C13H26 AB3C4D13E26 -270.85 3.54 -9.28 0.74 0
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84473 49866636 2 PN3O7C11H16 AB3C7D11E16 -656.57 2.23 -8.37 -0.78 1
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84474 49866637 1 PN5O7C10H15 AB5C7D10E15 -298.25 4.65 0.0 0.0 0
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84475 49866639 1 PN7O7C16H26 AB7C7D16E26 -300.61 2.28 -9.11 -0.55 0
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84476 49866641 1 P3N5C15O17H28 A3B5C15D17E28 -894.92 6.46 -9.02 -0.75 0
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84477 49866683 1 NSO2C4H7 ABC2D4E7 -80.23 5.31 -9.61 -0.71 0
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84478 49866698 1 PSN4O6C19H25 ABC4D6E19F25 -280.16 7.63 -9.58 -0.94 1
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84479 49866715 1 SN4O4C15H21 AB4C4D15E21 -91.02 9.11 0.0 0.0 0
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84480 49866730 1 SO2C11H14 AB2C11D14 -81.99 5.18 -9.13 -0.22 0
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84481 49866753 1 PSN3O6C9H14 ABC3D6E9F14 -308.47 6.39 -9.48 -0.68 0
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84482 49866754 1 NO2S2C8H15 AB2C2D8E15 -106.94 3.86 -9.27 -1.33 0
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84483 49866759 1 BN4O8C29H41 AB4C8D29E41 -399.06 7.04 -9.36 -1.08 3
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84484 49866767 1 CdOH3 ABC3 11.97 0.92 0.0 0.0 0
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84485 49866784 1 FPN3O7C9H13 ABC3D7E9F13 -388.15 6.72 -9.74 -0.54 0
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84486 49866787 1 PN8O10C19H25 AB8C10D19E25 -406.62 11.05 -9.37 -0.73 2
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84487 49866791 1 MgN4O6C55H72 AB4C6D55E72 -149.97 4.07 -7.46 -1.96 0
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84488 49866792 1 N4O6C55H72 A4B6C55D72 -182.87 1.35 -8.08 -1.53 0
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84489 49866819 1 FeN6O13C35H56 AB6C13D35E56 -498.99 5.58 -7.81 -0.6 0
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84490 49866823 1 N4O4C17H22 A4B4C17D22 -117.01 6.77 -9.09 -1.58 -1
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84491 49866824 1 O4N5H16C17 A4B5C16D17 -47.35 2.02 0.0 0.0 0
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84492 49866825 1 O4N5C17H17 A4B5C17D17 -73.08 5.69 -9.04 -1.68 1
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84493 49866843 1 S2N6O7C22H25 A2B6C7D22E25 -152.35 8.24 0.0 0.0 0
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84494 49866884 1 O4N5C23H29 A4B5C23D29 -106.41 5.76 -8.46 -0.6 0
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84495 49866890 1 OSC4N4H8 ABC4D4E8 25.86 1.18 -9.36 -0.58 0
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84496 49866891 1 S2O3C5H10 A2B3C5D10 -142.07 3.51 -9.16 0.01 0
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84497 49866954 1 N3O8C32H43 A3B8C32D43 -330.25 4.31 -9.87 -0.58 0
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84498 49866965 1 P2N9O16C36H43 A2B9C16D36E43 -719.61 4.77 -8.67 -0.78 0
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84499 49866980 1 NPSC6O6H14 ABCD6E6F14 -330.7 3.43 -9.75 -0.45 0
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84500 49866983 1 ClN5O7C26H38 AB5C7D26E38 -320.74 10.78 -9.53 -0.7 0
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84501 49867005 1 SP2N7O15C23H37 AB2C7D15E23F37 -718.21 6.64 -9.09 -0.75 0
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84502 49867033 1 N2O4C5H10 A2B4C5D10 -186.13 3.58 -10.77 0.1 0
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84503 49867038 1 N3O3C14H17 A3B3C14D17 -94.83 4.43 -8.69 -0.2 0
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84504 49867040 1 N3O4C18H31 A3B4C18D31 -224.0 2.7 -9.73 0.44 0
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84505 49867042 2 O4C33H63 A4B33C63 -590.34 3.53 -9.34 0.64 0
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84506 49867043 1 PSeN5O6C10H13 ABC5D6E10F13 -163.59 10.42 0.0 0.0 0
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84507 49867045 1 PN5O7C10H14 AB5C7D10E14 -313.42 2.36 -9.46 -0.66 0
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84508 49867074 1 ON5H13C14 AB5C13D14 73.34 1.68 -9.38 -1.19 0
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84509 49867088 1 N2P2O8C13H20 A2B2C8D13E20 -443.78 3.39 -8.83 -1.31 0
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84510 49867101 1 FeN4O5H32C33 AB4C5D32E33 -66.93 5.95 -7.41 -1.56 0
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84511 49867103 3 ON2C3H4 AB2C3D4 -64.79 13.47 -9.09 -0.35 0
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84512 49867104 1 SnN2C8O8H23 AB2C8D8E23 -366.89 7.65 0.0 0.0 0
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84513 49867105 1 SnN2O5C8H17 AB2C5D8E17 -188.57 3.55 0.0 0.0 0
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84514 49867144 1 SC6H10O10 AB6C10D10 -421.26 3.94 -11.22 -1.24 0
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84515 49867163 1 F2S2N4O5H22C27 A2B2C4D5E22F27 -84.9 7.98 -9.84 -2.47 2
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84516 49867180 1 N5H15C16 A5B15C16 137.93 1.36 -6.99 -0.63 0
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84517 49867224 1 N2S2O3C14H28 A2B2C3D14E28 -179.61 6.82 -9.2 0.15 0
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84518 49867228 1 NO7C25H33 AB7C25D33 -276.51 3.61 -9.62 -0.52 0
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84519 49867238 1 O3N4C8H12 A3B4C8D12 -110.35 2.21 -9.48 -0.3 0
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84520 49867253 1 N2O5C11H12 A2B5C11D12 -144.78 5.41 -9.58 -0.93 0
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84521 49867254 1 NO3C13H27 AB3C13D27 -188.93 2.99 -9.45 0.54 4
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84522 49867255 1 PtN2C6H16 AB2C6D16 42.09 4.52 -8.79 -1.05 0
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84523 49867256 1 SN2O9C16H26 AB2C9D16E26 -404.64 6.57 -10.45 -0.81 0
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84524 49867259 1 N2O13C39H70 A2B13C39D70 -579.97 2.25 -8.62 -0.27 0
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84525 49867261 1 NO3C5H9 AB3C5D9 -126.31 5.02 -10.4 -0.19 0
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84526 49867299 1 NSO3C5H11 ABC3D5E11 -139.41 4.91 -9.2 0.15 1
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84527 49867300 1 PN3O7C10H17 AB3C7D10E17 -349.67 6.19 0.0 0.0 0
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84528 49867301 1 FN3O5C15H16 AB3C5D15E16 -201.9 7.88 -9.21 -1.72 0
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84529 49867302 1 N4O16C35H44 A4B16C35D44 -688.76 4.14 -9.28 -0.39 0
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84530 49867303 1 PN2O8C11H17 AB2C8D11E17 -411.77 5.16 -9.59 -0.43 0
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84531 49867321 1 N3O5C12H19 A3B5C12D19 -194.83 4.74 -9.6 -0.46 1
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84532 49867362 1 NO2C13H14 AB2C13D14 -33.83 6.34 0.0 0.0 0
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84533 49867370 1 PN3C9O10H14 AB3C9D10E14 -421.77 3.22 -10.6 -1.5 0
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84534 49867395 1 O2N5C21H29 A2B5C21D29 -34.81 3.9 -9.38 -0.17 0
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84535 49867396 1 PN2O8C9H13 AB2C8D9E13 -315.94 7.16 -10.1 -0.95 0
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84536 49867397 1 O7N9C28H39 A7B9C28D39 -259.07 4.2 -8.61 -0.21 0
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84537 49867401 1 SN7H11C13 AB7C11D13 145.32 5.81 -8.75 -1.08 0
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84538 49867402 1 N3O4C17H19 A3B4C17D19 -86.11 8.94 -8.92 -2.11 0
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84539 49867405 1 N2O5C10H18 A2B5C10D18 -237.16 10.32 -9.5 -0.1 0
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84540 49867440 1 ClNO4C9H10 ABC4D9E10 -161.64 4.77 -9.41 -0.65 0
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84541 49867508 1 O2C53H80 A2B53C80 -49.14 1.13 -8.14 -1.61 0
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84542 49867530 1 NSSeO2C3H7 ABCD2E3F7 -54.91 4.0 -9.23 -2.01 -1
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84543 49867548 1 NC3O3H8 AB3C3D8 -107.28 1.07 0.0 0.0 0
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84544 49867579 1 ClNO5C10H20 ABC5D10E20 -269.73 1.07 -9.41 0.84 0
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84545 49867633 1 N3O9H21C26 A3B9C21D26 -298.39 11.67 -8.49 -1.36 0
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84546 49867660 1 S3N8O8H18C21 A3B8C8D18E21 -155.56 3.64 -8.4 -2.13 0
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84547 49867664 1 ON5C30H47 AB5C30D47 -56.02 5.06 -7.52 0.26 0
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84548 49867673 1 SN4O8C22H26 AB4C8D22E26 -270.49 2.02 -10.02 -1.13 4
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84550 49867688 1 SP3N7O17C39H72 AB3C7D17E39F72 -975.38 6.16 -8.95 -0.63 0