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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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391605 135007037 1 NO2C19H22 AB2C19D22 30.02 1.32 0.0 0.0 0
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391606 135007038 1 NO4C14H25 AB4C14D25 -213.37 3.49 -9.95 0.19 0
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391607 135007150 1 NSSiO2C34H45 ABCD2E34F45 -78.64 1.61 -8.36 0.16 0
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391608 135007168 1 NOSH7C8 ABCD7E8 30.89 6.71 -9.0 -1.04 0
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391609 135007171 1 S2O4C31H32 A2B4C31D32 -62.56 1.14 -9.27 -0.46 0
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391610 135007178 1 O7C14H22 A7B14C22 -308.39 2.59 -10.04 -0.22 0
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391611 135007180 1 O6C13H20 A6B13C20 -260.47 4.84 -10.04 -0.01 0
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391612 135007181 1 NaO4C18H21 AB4C18D21 -182.13 8.69 -9.04 0.42 0
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391613 135007184 1 O5C12H20 A5B12C20 -213.39 1.23 -9.9 1.0 0
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391615 135007222 1 O3C21H26 A3B21C26 -45.35 3.29 -9.19 0.1 0
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391616 135007252 1 SiC22H32 AB22C32 -2.8 0.65 -8.54 0.45 0
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391617 135007276 1 Sn2C33H64 A2B33C64 -74.45 1.77 -8.22 0.64 0
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391618 135007277 1 Sn2C33H64 A2B33C64 -73.28 1.38 -8.19 0.59 0
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391619 135007278 1 SnC26H28 AB26C28 86.63 0.96 -8.58 0.45 0
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391620 135007279 1 SnH22C23 AB22C23 123.85 1.08 -8.76 0.23 0
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391621 135007280 1 NOPSnC23H28 ABCDE23F28 2.3 3.92 -8.53 -0.05 0
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391622 135007287 1 OSiSnC18H30 ABCD18E30 -51.9 4.18 -8.38 -0.3 0
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391623 135007288 1 ClO2N4C10H11 AB2C4D10E11 5.37 9.11 -9.74 -1.54 0
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391624 135007293 1 GeO2Si2C23H46 AB2C2D23E46 -189.12 4.55 -8.72 -0.01 0
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391625 135007296 1 NS2O4C7H13 AB2C4D7E13 -186.43 2.64 -9.68 -1.7 0
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391626 135007299 1 S2O3C14H26 A2B3C14D26 -169.63 3.27 -8.21 -0.6 0
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391627 135007307 1 NSO4C18H21 ABC4D18E21 -134.78 5.99 -9.04 -0.44 0
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391628 135007308 1 O3F6H12C17 A3B6C12D17 -383.37 2.2 -8.96 -1.08 0
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391629 135007309 1 NSO3C16H25 ABC3D16E25 -128.64 4.5 -8.33 0.24 0
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391630 135007310 1 NSO3C15H31 ABC3D15E31 -191.66 3.77 -8.24 0.82 0
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391631 135007325 1 O5C20H28 A5B20C28 -203.37 5.03 -9.83 -0.31 0
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391632 135007403 1 N2O3C18H18 A2B3C18D18 0.55 3.7 -8.9 -0.48 0
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391633 135007404 1 N2O2H16C17 A2B2C16D17 19.49 5.18 -9.84 -0.5 0
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391634 135007408 2 O2C11H11 A2B11C11 -107.63 4.66 -8.87 -0.32 0
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391635 135007413 1 SO3C23H34 AB3C23D34 -122.23 3.3 -8.74 -0.47 0
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391636 135007415 1 SO5C15H20 AB5C15D20 -191.36 1.96 -9.1 -0.55 0
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391637 135007423 1 O4H18C19 A4B18C19 -98.61 2.63 -9.45 -0.4 0
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391638 135007434 1 NOSC24H39 ABCD24E39 -34.22 4.0 -8.35 0.66 0
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391639 135007543 1 BrSiO9C29H49 ABC9D29E49 -415.85 3.53 -8.95 -0.6 0
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391640 135007545 1 NH15C22 AB15C22 116.88 4.99 -9.28 -0.85 0
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391641 135007657 1 N2O2C17H22 A2B2C17D22 -76.61 3.35 -8.49 0.27 0
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391642 135007658 1 BrNO2C14H14 ABC2D14E14 -54.08 4.31 -8.98 -0.02 0
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391643 135007659 1 NO3C16H23 AB3C16D23 -99.41 2.9 -8.38 0.98 0
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391644 135007675 1 ON3C25H31 AB3C25D31 79.02 1.61 -8.47 -0.92 0
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391645 135007676 1 NSiO2C19H33 ABC2D19E33 -138.52 6.0 -8.75 -0.06 0
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391646 135007684 1 SeN2O9C22H27 AB2C9D22E27 -338.34 8.22 0.0 0.0 -5
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391648 135007780 1 SiN2C19H38 AB2C19D38 -67.69 1.8 -8.26 0.66 0
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391650 135007795 1 BrSi2N4C33H49 AB2C4D33E49 -79.62 2.12 -7.14 -0.23 0
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391651 135007796 1 NOH17C19 ABC17D19 30.4 5.33 -8.6 -0.2 0
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391652 135007797 1 NO4C9H15 AB4C9D15 -169.92 3.84 -10.25 0.06 0
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391653 135007803 1 N4O8C47H48 A4B8C47D48 -209.79 4.6 -8.74 -0.92 0
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391654 135007807 1 BrN2O2C13H13 AB2C2D13E13 -31.27 2.99 -9.7 -1.43 0
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391655 135007904 1 BNOF4C18H18 ABCD4E18F18 -328.6 13.68 -9.61 -1.7 0
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391656 135007909 1 NSO2C18H27 ABC2D18E27 -86.11 5.59 -9.12 -0.3 0
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391657 135007911 1 Si2O5C53H70 A2B5C53D70 -234.64 4.78 -8.67 -0.03 0
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391658 135007915 1 O4C27H36 A4B27C36 -116.36 3.53 -8.63 0.33 0
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391659 135007929 1 ClSi2N4C27H51 AB2C4D27E51 -150.25 4.43 -7.57 0.44 0
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391660 135007946 1 NO5H27C29 AB5C27D29 -116.68 3.47 -8.7 -0.24 0
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391661 135007981 1 SeN2C9H19 AB2C9D19 17.31 3.88 0.0 0.0 1
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391662 135008043 1 OSeN2C20H21 ABC2D20E21 21.76 4.86 0.0 0.0 0
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391663 135008045 1 ClHgNSO4H14C17 ABCDE4F14G17 -18.95 17.26 -7.16 -2.19 0
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391664 135008046 1 ClN2O2C15H19 AB2C2D15E19 -87.99 4.31 -8.4 -0.23 0
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391665 135008052 1 NSO3C21H25 ABC3D21E25 -97.17 4.92 -8.62 -0.63 0
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391666 135008053 1 NO3C15H25 AB3C15D25 -133.52 4.51 -9.27 0.76 0
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391667 135008069 1 BrSi2N4C23H47 AB2C4D23E47 -145.3 2.05 -6.98 -0.03 0
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391668 135008070 1 ClSi2N4C23H51 AB2C4D23E51 -182.47 3.5 -7.4 0.55 0
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391669 135008071 1 BrSiN2C16H35 ABC2D16E35 -130.02 2.95 -8.23 0.87 0
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391671 135008074 1 Si3N6C16H40 A3B6C16D40 -123.41 4.61 -7.98 0.46 0
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391672 135008078 1 BClSi2O3C18H38 ABC2D3E18F38 -354.57 3.53 -8.65 0.23 0
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391673 135008081 1 NOC20H25 ABC20D25 3.41 2.18 -8.0 0.34 0
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391674 135008082 1 N2O4C21H24 A2B4C21D24 -122.23 2.25 -8.61 -0.81 1
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391675 135008186 1 IOSe2N3C38H41 ABC2D3E38F41 89.19 3.02 0.0 0.0 0
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391676 135008187 1 FN2O4C21H23 AB2C4D21E23 -146.23 3.7 -9.48 -0.61 0
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391677 135008192 1 BrSi2N4C26H57 AB2C4D26E57 -187.81 4.06 -7.4 0.39 0
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391678 135008202 1 NSO2C21H21 ABC2D21E21 -24.46 7.06 -8.95 -0.31 0
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391679 135008217 1 NO3C15H23 AB3C15D23 -154.32 2.79 -8.9 0.22 0
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391680 135008265 1 ClSiC23H43 ABC23D43 -83.32 2.55 -8.96 0.9 0
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391681 135008309 1 N2O3C20H26 A2B3C20D26 -113.21 3.91 -9.0 -0.84 0
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391682 135008310 1 NO4C11H19 AB4C11D19 -186.86 1.94 -10.24 -0.01 0
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391683 135008313 1 NSH15C16 ABC15D16 68.19 4.15 -8.18 0.0 0