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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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85525 49876371 1 BrClNO3C13H18 ABCD3E13F18 -74.46 3.79 0.0 0.0 -1
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85526 49876372 1 NOCl2C11H14 ABC2D11E14 -0.12 4.67 0.0 0.0 -1
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85527 49876379 1 NOBr2C9H16 ABC2D9E16 -51.11 2.18 0.0 0.0 -1
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85528 49876383 1 BrO2S2N3C11H11 AB2C2D3E11F11 10.19 5.58 0.0 0.0 -1
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85529 49876447 1 BrN2O2F3H17C23 AB2C2D3E17F23 -91.75 3.05 0.0 0.0 -1
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85530 49876457 1 ClON3C19H25 ABC3D19E25 14.15 3.19 0.0 0.0 -1
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85531 49876458 1 ClN2S2O3C20H26 AB2C2D3E20F26 -46.2 4.85 0.0 0.0 -1
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85532 49876516 1 N2Cl3C10H10 A2B3C10D10 54.73 2.7 0.0 0.0 -1
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85533 49876550 1 ClS2N4O7C28H36 AB2C4D7E28F36 -262.38 10.92 0.0 0.0 -1
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85534 49876557 1 OSCl3N3H17C19 ABC3D3E17F19 34.87 5.62 0.0 0.0 -1
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85535 49876576 1 BrOSN2H16C20 ABCD2E16F20 87.99 1.26 0.0 0.0 -1
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85536 49876579 1 ClFSN3O4C26H28 ABCD3E4F26G28 -46.75 8.47 0.0 0.0 -1
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85537 49876581 1 ClOSN2C16H24 ABCD2E16F24 -8.88 5.31 0.0 0.0 -1
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85538 49876628 1 SCl2N3O3C25H26 AB2C3D3E25F26 -32.92 4.88 0.0 0.0 -1
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85539 49876664 1 BrS2N5O5C25H27 AB2C5D5E25F27 -45.07 5.78 0.0 0.0 -1
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85540 49876690 1 Cl2N3O3H30C33 A2B3C3D30E33 46.31 5.69 0.0 0.0 -1
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85541 49876693 1 SCl3O3N5H19C21 AB3C3D5E19F21 -39.7 6.35 0.0 0.0 -1
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85542 49876694 1 ClSN2C24H30 ABC2D24E30 50.92 1.16 0.0 0.0 -1
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85543 49876695 1 ClIN2O4H15C23 ABC2D4E15F23 67.8 6.28 0.0 0.0 -1
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85544 49876696 1 ClN2S2O3H16C17 AB2C2D3E16F17 -3.86 7.49 0.0 0.0 -1
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85545 49876708 1 ClNSO3C5H11 ABCD3E5F11 -118.03 5.5 0.0 0.0 -2
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85546 49876709 1 Cl2N2O2C23H30 A2B2C2D23E30 -4.71 2.63 -8.83 -1.02 -1
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85547 49876712 1 ClNO5C17H21 ABC5D17E21 -152.05 5.82 0.0 0.0 -1
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85548 49876741 1 ClFNO2C17H26 ABCD2E17F26 -109.28 1.64 0.0 0.0 -1
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85549 49876765 1 SCl2N3O5C24H26 AB2C3D5E24F26 -82.73 5.57 0.0 0.0 -1
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85550 49876766 1 ClSN2O4C20H24 ABC2D4E20F24 -89.18 5.31 0.0 0.0 -1
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85551 49876768 1 BrClFN3O4H19C23 ABCD3E4F19G23 -93.1 7.47 0.0 0.0 -1
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85552 49876769 1 BrClSN3O3C24H26 ABCD3E3F24G26 -10.1 2.16 0.0 0.0 -1
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85553 49876774 1 ClSN2O2C13H14 ABC2D2E13F14 -21.34 4.69 0.0 0.0 -1
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85554 49876786 1 ClN3O4C17H21 AB3C4D17E21 -103.61 1.39 0.0 0.0 -1
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85555 49876787 1 N2Cl3C6H6 A2B3C6D6 51.27 1.09 0.0 0.0 -1
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85556 49876799 1 ClO2N3C18H29 AB2C3D18E29 -121.3 6.67 0.0 0.0 -1
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85557 49876801 1 NCl2O4C18H26 AB2C4D18E26 -157.97 4.95 0.0 0.0 -1
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85558 49876802 1 Cl2N2O2H13C17 A2B2C2D13E17 16.63 5.66 0.0 0.0 -1
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85559 49876869 1 ClNSC28H29 ABCD28E29 73.41 3.34 0.0 0.0 -1
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85560 49876887 1 ClS2O3N4H14C16 AB2C3D4E14F16 -29.2 6.35 0.0 0.0 -1
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85561 49876889 1 FNOSCl3H16C22 ABCDE3F16G22 -35.99 3.34 0.0 0.0 -1
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85562 49876891 1 NSCl2O2H24C26 ABC2D2E24F26 6.7 7.1 0.0 0.0 -1
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85563 49876892 1 SCl2O3N4H15C18 AB2C3D4E15F18 -15.92 5.49 0.0 0.0 -1
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85564 49876899 1 BrClSN2O2H15C16 ABCD2E2F15G16 15.33 3.04 0.0 0.0 -1
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85565 49876917 1 FOSCl2N2H12C13 ABCD2E2F12G13 40.43 2.96 0.0 0.0 -1
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85566 49876942 1 ClSN2O2H22C24 ABC2D2E22F24 22.28 4.87 0.0 0.0 -1
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85567 49876948 1 SCl2N2O2C14H15 AB2C2D2E14F15 7.83 4.17 0.0 0.0 -1
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85568 49876980 1 ClSO3N4H20C27 ABC3D4E20F27 139.61 8.36 0.0 0.0 -1
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85569 49876989 1 FNCl2C23H23 ABC2D23E23 -27.22 3.18 0.0 0.0 -1
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85570 49876996 1 ClNOSH21C23 ABCDE21F23 26.37 3.48 0.0 0.0 -1
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85571 49877008 1 ClNOC10H21 ABCD10E21 -87.8 4.16 0.0 0.0 -1
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85572 49877043 1 ClNO3C18H19 ABC3D18E19 -19.97 2.67 0.0 0.0 -1
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85573 49877070 1 ClNSO2C5H9 ABCD2E5F9 -47.53 1.77 0.0 0.0 -1
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85574 49877071 1 ClOSN3C19H19 ABCD3E19F19 -9.19 4.29 0.0 0.0 -1
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85575 49877104 1 Cl2N2C5H7 A2B2C5D7 48.58 2.88 0.0 0.0 -1
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85576 49877140 1 ClON2H20C22 ABC2D20E22 80.67 4.39 0.0 0.0 -1
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85577 49877150 1 BrOSN3C10H13 ABCD3E10F13 19.12 3.8 0.0 0.0 -1
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85578 49877178 1 ClFON2H19C23 ABCD2E19F23 51.4 3.33 0.0 0.0 -1
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85579 49877185 1 ClNOC13H21 ABCD13E21 -26.35 3.5 0.0 0.0 -1
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85580 49877228 1 ClO2N3C29H31 AB2C3D29E31 17.99 7.19 0.0 0.0 -1
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85581 49877229 1 ClON2H24C25 ABC2D24E25 88.98 5.21 0.0 0.0 -1
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85582 49877244 1 ClON2F4C18H22 ABC2D4E18F22 -162.99 2.39 0.0 0.0 -1
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85583 49877262 1 ClNSO2C6H11 ABCD2E6F11 -75.69 5.27 0.0 0.0 -1
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85584 49877272 1 ClNO2C12H17 ABC2D12E17 -57.17 2.69 0.0 0.0 -1
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85585 49877281 1 Cl2N2O2C14H19 A2B2C2D14E19 -43.52 5.12 0.0 0.0 -1
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85586 49877330 1 ClNSH7C8 ABCD7E8 38.78 2.13 0.0 0.0 -1
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85587 49877342 1 Cl2N2O2C14H19 A2B2C2D14E19 -37.46 6.99 0.0 0.0 -1
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85588 49877343 1 OCl2N2C17H19 AB2C2D17E19 14.34 5.24 0.0 0.0 -1
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85589 49877364 1 ClSN3C16H17 ABC3D16E17 86.46 4.5 0.0 0.0 -1
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85590 49877391 1 ClOSN3C14H15 ABCD3E14F15 55.77 3.41 0.0 0.0 -1
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85591 49877392 1 ClSN3C13H17 ABC3D13E17 58.58 4.84 0.0 0.0 -1
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85592 49877397 1 ClS2N3O3H23C24 AB2C3D3E23F24 -12.27 1.0 0.0 0.0 -1
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85593 49877398 1 Cl2O2N3H16C21 A2B2C3D16E21 98.26 5.93 0.0 0.0 -1
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85594 49877412 1 ClN2O2C15H22 AB2C2D15E22 -28.98 1.8 0.0 0.0 -1
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85595 49877498 1 NOCl2C15H24 ABC2D15E24 -30.57 4.17 0.0 0.0 -1
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85596 49877519 1 ClON2C22H32 ABC2D22E32 15.97 3.49 0.0 0.0 -1
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85597 49877520 1 ClNO3C16H17 ABC3D16E17 61.95 1.13 0.0 0.0 -1
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85598 49877522 1 NOCl2C17H22 ABC2D17E22 33.52 3.94 0.0 0.0 -1
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85599 49877534 1 ClON2C22H30 ABC2D22E30 -21.37 4.0 0.0 0.0 -1
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85600 49877535 1 NCl2O2C15H24 AB2C2D15E24 -82.47 4.48 0.0 0.0 -1
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85601 49877540 1 ClN2O2C19H26 AB2C2D19E26 -0.57 3.43 0.0 0.0 -1
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85602 49877598 1 ClNO2F4C15H17 ABC2D4E15F17 -197.68 2.3 0.0 0.0 -1
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85603 49877614 1 ClNO2C4H7 ABC2D4E7 -65.14 5.53 0.0 0.0 0
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85604 49877630 1 N2O7C27H34 A2B7C27D34 -209.04 6.26 -8.57 -0.63 0
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85605 49877632 1 N2O6C25H30 A2B6C25D30 -160.34 8.15 -8.67 -0.76 0
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85606 49877633 1 N2O6C27H34 A2B6C27D34 -186.84 6.88 -8.76 -0.76 0
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85607 49877634 1 N2O7C26H32 A2B7C26D32 -210.7 8.9 -8.65 -0.91 -1
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85608 49877636 1 ClNO2C12H17 ABC2D12E17 -42.3 0.85 0.0 0.0 -1
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85609 49877649 1 ClN2O3C12H14 AB2C3D12E14 -77.15 2.33 0.0 0.0 -1
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85610 49877654 1 ClON3C11H21 ABC3D11E21 -36.21 5.38 0.0 0.0 0
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85611 49877666 1 N3O5C28H29 A3B5C28D29 -84.87 7.92 -9.12 -0.63 0
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85612 49877669 1 SN3O6H17C22 AB3C6D17E22 -57.06 4.82 -9.05 -1.56 0
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85613 49877678 1 FN2O5H19C25 AB2C5D19E25 -126.36 11.38 -9.46 -0.94 0
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85614 49877689 1 BrN2O5H17C22 AB2C5D17E22 -67.97 5.26 -9.51 -1.25 -1
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85615 49877692 1 ClNO2C11H15 ABC2D11E15 -80.77 1.46 0.0 0.0 0
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85616 49877696 1 N3O7H21C24 A3B7C21D24 -77.81 9.22 -9.51 -1.67 0
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85617 49877716 1 N2C19H24 A2B19C24 36.68 2.77 -8.95 0.52 0
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85618 49877718 2 NC10H13 AB10C13 21.5 1.69 -8.6 0.67 0
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85619 49877719 1 F2N2C19H22 A2B2C19D22 -58.16 5.73 -9.11 0.1 0
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85620 49877720 1 Cl2N2C19H22 A2B2C19D22 16.2 6.12 -9.05 0.01 0
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85621 49877722 2 NO2C13H18 AB2C13D18 -123.56 1.31 -8.53 -1.29 0
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85622 49877723 2 BrON2H9C12 ABC2D9E12 95.17 13.05 -8.58 -1.61 0
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85623 49877730 1 O3N4H18C22 A3B4C18D22 31.5 4.41 -8.41 -1.28 0
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85624 49877745 1 BrSO3N4C29H29 ABC3D4E29F29 -67.22 3.48 -8.36 -1.16 0