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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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224708 85346995 1 SN2O4C24H34 AB2C4D24E34 -169.51 8.06 -8.14 -0.54 0
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224709 85347000 2 OC15H27 AB15C27 -157.43 2.07 -9.6 1.24 0
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224710 85347001 1 Si2O4C23H50 A2B4C23D50 -355.77 3.62 -9.11 0.49 0
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224711 85347002 1 CrNO7H17C21 ABC7D17E21 28.94 4.45 -7.35 -0.04 0
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224712 85347012 1 O9C23H28 A9B23C28 -299.66 1.93 -8.48 -0.66 0
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224713 85347013 8 OC3H4 AB3C4 -278.8 3.84 -8.37 0.03 0
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224714 85347138 1 ClN2O3C27H27 AB2C3D27E27 -66.53 3.48 -9.48 -0.65 0
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224715 85347367 2 NH16C18 AB16C18 294.52 6.41 -8.06 -0.88 0
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224716 85347457 1 SO7C27H36 AB7C27D36 -275.22 6.39 -8.98 -0.41 2
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224717 85348008 1 TiN4C41H42 AB4C41D42 190.86 6.25 -8.33 -3.48 0
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224718 85348501 1 Si2O7N8C56H80 A2B7C8D56E80 -303.32 5.01 -8.36 -0.51 0
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224719 85348532 1 NOSeC10H12 ABCD10E12 25.55 4.18 0.0 0.0 0
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224720 85348787 1 ClNO2C8H12 ABC2D8E12 -111.73 4.8 -9.67 0.14 0
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224721 85348942 1 OC15H20 AB15C20 -11.79 1.9 -9.36 0.34 0
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224722 85348983 1 NOSC12H15 ABCD12E15 -9.73 2.13 -8.82 -0.14 0
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224723 85348985 1 ClNO3C9H16 ABC3D9E16 -136.82 3.88 -9.68 0.05 0
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224724 85348986 1 OSF3C9H9 ABC3D9E9 -172.88 4.1 -9.28 -0.76 0
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224725 85349021 1 O3C13H22 A3B13C22 -159.8 1.77 -9.44 0.76 0
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224726 85349035 1 SiO3C11H20 AB3C11D20 -140.97 3.66 -9.7 0.43 0
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224727 85349047 1 O3C14H14 A3B14C14 -87.26 6.33 -9.87 -0.14 0
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224728 85349051 1 ON2C14H18 AB2C14D18 17.58 2.19 -9.41 -0.66 0
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224729 85349059 1 SN3C12H13 AB3C12D13 82.39 9.61 -8.69 -1.02 1
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224730 85349062 1 ClNOH11C13 ABCD11E13 22.97 3.24 0.0 0.0 0
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224732 85349078 1 FN2O5C8H11 AB2C5D8E11 -90.14 4.97 -10.95 -1.87 0
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224734 85349092 1 NCl2O2C6H9 AB2C2D6E9 -107.45 0.93 -9.98 -0.25 0
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224735 85349105 1 O2C15H24 A2B15C24 -65.29 0.89 -9.2 0.67 0
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224736 85349109 1 O5C12H14 A5B12C14 -178.39 1.28 -8.57 0.19 0
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224737 85349124 1 OC16H30 AB16C30 -96.04 2.97 -9.0 0.89 0
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224738 85349140 1 O2C15H28 A2B15C28 -124.41 3.52 -9.59 1.02 0
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224739 85349142 1 S2C13H20 A2B13C20 8.41 2.4 -8.52 0.3 0
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224740 85349143 1 ClO3C12H13 AB3C12D13 -109.02 2.09 -9.63 -0.25 0
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224741 85349153 1 NOC16H19 ABC16D19 17.71 2.13 -8.76 0.24 0
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224742 85349158 1 N2O5C10H14 A2B5C10D14 -203.76 2.25 -10.2 -1.26 0
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224743 85349167 1 S2C13H22 A2B13C22 -5.8 2.23 -8.39 0.31 0
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224744 85349176 1 NO2C15H17 AB2C15D17 -25.12 4.54 -9.64 -0.26 0
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224745 85349177 1 NO2C15H17 AB2C15D17 -57.79 6.71 -8.58 -0.71 0
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224746 85349193 1 NOC16H23 ABC16D23 27.02 3.29 -9.37 0.35 0
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224747 85349198 3 OC5H6 AB5C6 -101.31 2.28 -9.86 -0.75 0
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224748 85349199 3 OC5H6 AB5C6 -53.95 5.93 -8.34 -0.63 0
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224749 85349202 1 OSN2C13H16 ABC2D13E16 -26.77 6.19 -8.95 -0.57 0
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224750 85349208 1 NOSC14H17 ABCD14E17 29.13 1.62 -8.37 -0.04 0
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224751 85349212 1 OSF3C11H11 ABC3D11E11 -177.41 5.74 -9.18 -0.57 0
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224753 85349217 2 OC8H12 AB8C12 -31.91 2.65 -9.57 0.52 0
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224754 85349224 1 NO3C14H19 AB3C14D19 -140.13 5.5 -9.3 0.15 0
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224755 85349225 1 NSO3C11H23 ABC3D11E23 -158.87 0.98 -8.13 0.57 0
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224756 85349226 1 NC17H31 AB17C31 -31.25 1.13 -8.8 1.13 0
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224757 85349253 1 ClNSO2C10H18 ABCD2E10F18 -108.56 3.03 -9.31 -1.48 0
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224758 85349262 1 OS2C13H16 AB2C13D16 -4.77 4.17 -8.43 -0.23 0
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224759 85349318 1 NO4H13C14 AB4C13D14 -144.2 4.91 -10.14 -1.07 0
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224760 85349324 1 O7C11H16 A7B11C16 -295.27 5.19 -10.89 -1.04 0
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224761 85349329 1 FSO3C12H17 ABC3D12E17 -161.0 4.6 -8.78 -0.32 0
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224762 85349342 1 PN2O5C9H15 AB2C5D9E15 -210.26 3.45 -9.81 -0.4 0
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224763 85349392 1 O4C15H22 A4B15C22 -158.27 4.25 -10.03 0.7 0
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224764 85349393 1 O4C15H22 A4B15C22 -174.34 3.4 -9.67 0.06 0
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224766 85349459 1 SiO3C14H28 AB3C14D28 -217.16 3.78 -8.86 0.45 0
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224767 85349556 1 NO3H15C17 AB3C15D17 -79.53 2.98 -8.56 -0.51 0
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224768 85349563 1 NSO2C15H23 ABC2D15E23 -92.18 4.82 -9.11 0.34 0
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224769 85349566 1 O5C15H22 A5B15C22 -215.43 3.22 -9.65 0.33 0
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224770 85349824 1 N3O3H5F6C8 A3B3C5D6E8 -364.75 6.05 -10.84 -1.38 0
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224771 85349876 1 ClO3N4C13H13 AB3C4D13E13 -21.04 8.23 -9.34 -1.69 0
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224772 85350399 1 S2O4C17H24 A2B4C17D24 -149.6 1.97 -8.48 -0.06 0
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224773 85350407 1 ClNSO4C16H20 ABCD4E16F20 -86.36 4.28 -9.8 -0.57 1
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224774 85350647 1 NPO3C15H33 ABC3D15E33 -179.29 9.24 0.0 0.0 0
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224775 85350660 1 BrO5C17H23 AB5C17D23 -207.91 3.98 -9.95 -0.94 0
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224776 85350780 1 OSN2H24C25 ABC2D24E25 39.79 2.56 -8.48 -0.46 0
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224777 85351571 1 ClO2N4H23C30 AB2C4D23E30 121.36 2.87 -9.0 -1.1 0
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224778 85351905 1 O5N6C32H32 A5B6C32D32 -79.46 6.23 -8.89 -0.51 0
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224779 85352080 1 O3Si4C34H64 A3B4C34D64 -280.19 3.15 -8.97 -0.32 0
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224780 85352404 2 NO5C23H31 AB5C23D31 -389.08 9.23 -9.0 -0.62 0
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224781 85352624 1 N9O16C51H67 A9B16C51D67 -699.85 6.14 -8.77 -0.43 0
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224782 85352679 1 ClS3O9N17C54H78 AB3C9D17E54F78 -298.13 12.5 -8.66 -1.62 0
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224783 85352811 2 OC5H10 AB5C10 -126.6 2.99 -9.61 2.41 0
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224784 85352902 2 C7H13 A7B13 -29.06 1.08 -9.33 0.86 0
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224785 85353023 2 NOC6H6 ABC6D6 -27.55 9.5 -9.8 -0.63 0
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224786 85353074 2 NOC6H9 ABC6D9 -85.87 2.57 -8.78 -0.47 0