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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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403035 135058462 1 BrNO2C13H14 ABC2D13E14 -58.24 6.75 -8.97 -0.62 0
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403036 135058478 1 BN2O2C15H21 AB2C2D15E21 -120.51 8.48 -8.31 -0.14 0
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403037 135058484 1 NSF3O3H10C11 ABC3D3E10F11 -245.12 6.3 -9.31 -1.29 0
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403038 135058486 1 NO2H15C17 AB2C15D17 3.88 5.08 -8.67 -0.82 0
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403039 135058488 1 NO3H15C17 AB3C15D17 -25.71 4.99 -8.45 -0.94 0
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403040 135058491 1 FNOC14H16 ABCD14E16 -79.88 3.79 -9.41 -0.62 0
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403041 135058494 1 ClNF2O3H18C19 ABC2D3E18F19 -212.74 3.29 -9.45 -1.11 0
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403042 135058497 1 NO5C14H15 AB5C14D15 -99.81 3.94 -9.86 -0.94 0
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403043 135058498 1 NF3O4H12C13 AB3C4D12E13 -220.79 6.94 -9.78 -0.94 0
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403044 135058507 1 NO4C15H15 AB4C15D15 -107.21 3.99 -9.22 -0.38 0
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403045 135058508 2 NOH8C9 ABC8D9 56.37 10.0 -8.91 -1.13 0
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403046 135058516 1 IS2O3H13C14 AB2C3D13E14 -37.9 6.09 -8.72 -1.23 0
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403047 135058517 1 N3H19C23 A3B19C23 145.34 4.93 -8.98 -0.26 0
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403048 135058518 1 ClN2O2H9C14 AB2C2D9E14 10.07 7.33 -8.65 -1.83 0
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403049 135058523 1 N5H13C18 A5B13C18 157.46 6.44 -9.69 -1.36 0
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403050 135058526 1 ClON3H10C15 ABC3D10E15 73.86 1.62 -9.46 -1.06 -4
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403052 135058536 1 FSP3N7O19C26H41 ABC3D7E19F26G41 -1049.57 6.27 -9.35 -0.89 0
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403053 135058537 1 SP3N7O18C30H42 AB3C7D18E30F42 -884.11 7.52 -9.25 -1.08 0
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403054 135058538 1 ClOSiC13H17 ABCD13E17 -41.6 2.44 -9.54 -0.52 0
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403055 135058540 1 BN2C32H33 AB2C32D33 43.96 5.9 -8.21 -0.56 0
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403056 135058546 1 NO3H21C24 AB3C21D24 -44.36 4.44 -8.48 -0.47 0
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403057 135058553 1 NO5H9C11 AB5C9D11 -19.19 3.84 -10.3 -1.74 0
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403058 135058559 1 PO3C15H19 AB3C15D19 -119.31 4.4 -9.04 -0.12 0
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403059 135058561 2 BrOH6C7 ABC6D7 11.8 8.81 -10.1 -1.06 0
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403060 135058562 2 OC11H15 AB11C15 -42.73 6.71 -9.89 -0.51 0
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403061 135058566 1 SO3C19H20 AB3C19D20 -74.94 0.38 -8.48 -0.64 0
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403062 135058567 1 NSO2C22H23 ABC2D22E23 -20.08 4.54 -8.56 -1.13 0
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403063 135058568 1 NOC25H25 ABC25D25 16.83 4.16 -8.8 -0.22 0
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403064 135058570 1 NOC18H19 ABC18D19 -12.93 3.19 -8.95 -0.29 0
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403065 135058578 1 O3H18C22 A3B18C22 -53.31 3.33 -9.98 -0.97 0
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403066 135058589 1 NaO2H21C24 AB2C21D24 -73.3 7.84 -8.8 -0.11 0
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403067 135058593 1 N2C25H34 A2B25C34 7.33 1.87 -8.72 0.23 0
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403068 135058598 1 O2C17H18 A2B17C18 -45.83 4.21 -8.62 -0.24 0
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403069 135058599 1 NOC22H29 ABC22D29 -39.23 3.49 -9.17 -0.2 0
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403070 135058608 1 PN2O3C28H33 AB2C3D28E33 -119.75 5.78 -8.16 -0.05 0
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403071 135058609 1 NOSSiC22H27 ABCDE22F27 -22.88 1.84 -9.14 -0.51 0
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403072 135058610 1 NH21C32 AB21C32 144.71 2.23 -7.9 -0.81 0
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403073 135058611 1 N3O3H19C20 A3B3C19D20 24.82 8.21 -9.37 -1.19 0
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403074 135058612 1 SiO2C20H26 AB2C20D26 -78.9 1.24 -8.47 -0.25 0
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403075 135058613 1 NO2H15C17 AB2C15D17 -34.6 3.14 -8.45 -0.61 0
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403076 135058617 1 NC19H21 AB19C21 33.54 0.6 -8.27 -0.18 0
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403077 135058618 1 O3H18C23 A3B18C23 -37.51 6.89 -9.76 -0.92 0
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403078 135058621 1 ClO2H15C16 AB2C15D16 -60.22 3.23 -9.68 -0.61 0
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403079 135058637 1 BrSN2O5H19C22 ABC2D5E19F22 -51.25 8.74 -9.81 -1.34 0
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403080 135058646 1 NSO3H17C21 ABC3D17E21 -60.92 5.78 -8.66 -0.8 0
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403081 135058653 1 BSO5C13H19 ABC5D13E19 -276.16 1.6 -9.1 -0.09 0
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403082 135058659 1 N2O3C11H14 A2B3C11D14 -70.51 2.26 -8.96 -0.18 0
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403083 135058662 1 BNSO6C21H26 ABCD6E21F26 -309.22 5.98 -8.47 -0.64 -1
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403084 135058663 1 BNSO6C21H25 ABCD6E21F25 -276.02 7.42 0.0 0.0 0
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403085 135058669 2 NC8H8 AB8C8 48.13 4.58 -8.73 -0.35 0
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403086 135058673 1 NSF3O3C18H18 ABC3D3E18F18 -239.0 6.93 -8.94 -1.26 0
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403087 135058680 1 O2N3H11C17 A2B3C11D17 65.61 3.93 -8.93 -1.2 0
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403088 135058682 1 ON3H13C20 AB3C13D20 106.99 2.48 -8.76 -1.02 0
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403089 135058683 1 N2O3C17H18 A2B3C17D18 -40.16 3.24 -9.31 -0.59 0
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403090 135058684 1 NO3H15C17 AB3C15D17 -79.59 1.13 -9.37 -1.02 0
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403091 135058704 1 NO3C14H15 AB3C14D15 -89.83 2.03 -9.68 -0.08 0
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403092 135058712 1 FSCl2O2N3H14C20 ABC2D2E3F14G20 -22.74 6.12 -9.1 -1.07 0
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403093 135058713 1 ClS2N3O3H18C23 AB2C3D3E18F23 3.64 3.93 -9.19 -1.25 0
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403094 135058716 1 O4H16C17 A4B16C17 -87.52 3.55 -8.66 -0.27 0
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403095 135058720 1 ClFOH10C14 ABCD10E14 -24.3 0.74 -9.11 -0.48 0
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403096 135058721 1 BrClOH6C8 ABCD6E8 -11.0 1.08 -9.41 -0.76 0
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403097 135058724 1 O4H16C19 A4B16C19 -97.56 3.02 -9.18 -1.08 0
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403098 135058729 1 SiN2C18H18 AB2C18D18 34.98 1.52 -8.35 -0.17 0
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403101 135058762 1 N2H22C27 A2B22C27 133.88 1.83 -8.61 -0.52 0
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403102 135058766 1 NOC16H17 ABC16D17 33.28 0.89 -8.97 -0.01 0
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403103 135058770 1 N2F3O3H17C21 A2B3C3D17E21 -225.69 2.26 -8.91 -0.98 0
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403104 135058771 1 O2N3C22H23 A2B3C22D23 -22.4 6.39 -8.43 -0.88 0
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403105 135058772 2 NOC11H11 ABC11D11 -37.33 5.52 -8.85 -0.96 0
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403106 135058773 2 NOH11C13 ABC11D13 3.06 3.67 -8.73 -0.83 0
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403107 135058775 1 NSiC19H23 ABC19D23 22.05 3.43 -8.09 0.18 0
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403108 135058776 1 F5H15C17 A5B15C17 -213.02 3.32 -8.89 -0.95 0
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403109 135058777 1 BrNSO3H18C21 ABCD3E18F21 -65.27 7.4 -9.38 -0.66 0
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403110 135058799 1 NO3F6H11C17 AB3C6D11E17 -393.12 8.66 -9.61 -1.65 1
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403111 135058800 1 IN4C8H8 AB4C8D8 133.56 4.55 0.0 0.0 0
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403112 135058801 1 NO2Cl3H16C17 AB2C3D16E17 -70.18 3.13 -9.76 -0.5 0