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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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137937 52287480 1 ClN2O4C22H22 AB2C4D22E22 -66.0 9.05 0.0 0.0 0
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137938 52287481 1 ClN2O4H21C22 AB2C4D21E22 -70.31 6.61 -8.66 -1.12 0
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137939 52288454 1 O2N4C21H22 A2B4C21D22 2.71 4.81 -9.26 -0.6 0
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137940 52288563 1 ClO2N4C23H25 AB2C4D23E25 -33.85 4.83 -8.96 -0.52 0
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137941 52289039 1 O2F3N5C18H22 A2B3C5D18E22 -166.92 4.13 -8.97 -0.24 0
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137942 52289040 1 SN4O4C19H22 AB4C4D19E22 -106.42 11.86 -9.22 -0.73 0
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137943 52289087 1 FNO3C21H22 ABC3D21E22 -113.54 2.2 -9.05 -0.36 1
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137944 52289088 1 FSN2O3C21H28 ABC2D3E21F28 -130.61 4.07 0.0 0.0 0
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137945 52289162 1 FSO2N4C20H25 ABC2D4E20F25 -95.5 3.65 -8.54 -0.32 1
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137946 52289163 1 SF3N4O5C18H28 AB3C4D5E18F28 -250.43 10.18 0.0 0.0 0
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137947 52289495 1 SN2O3C17H24 AB2C3D17E24 -126.37 3.94 -8.94 -0.28 2
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137949 52289642 1 FSCl2N3O4C19H23 ABC2D3E4F19G23 -100.78 15.06 0.0 0.0 -1
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137950 52289643 1 FN2S2O5H16C23 AB2C2D5E16F23 -26.16 7.48 0.0 0.0 0
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137951 52289754 1 SO2N4C22H24 AB2C4D22E24 45.59 1.51 -9.14 -0.34 0
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137952 52290345 1 O3N4C22H26 A3B4C22D26 -95.03 5.78 -8.84 -0.41 0
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137953 52290934 1 FON7C17H20 ABC7D17E20 39.34 5.45 -9.58 -0.76 0
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137954 52290935 1 FON7C17H20 ABC7D17E20 36.79 5.7 -9.74 -0.52 0
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137955 52291043 1 O2N5C23H29 A2B5C23D29 -8.42 4.77 -8.64 -0.04 1
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137956 52291136 1 O2N4C21H31 A2B4C21D31 -34.54 3.11 0.0 0.0 1
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137957 52291543 1 OSN2C19H23 ABC2D19E23 17.22 4.18 0.0 0.0 0
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137958 52291544 1 OSN2C19H22 ABC2D19E22 -0.42 2.67 -8.5 -0.14 1
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137959 52291545 1 OSN2C19H23 ABC2D19E23 18.08 3.91 0.0 0.0 0
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137960 52291875 1 O3N4C27H28 A3B4C27D28 -19.69 3.19 -8.34 -0.28 0
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137961 52291927 2 NO2C9H11 AB2C9D11 -142.31 2.37 -9.14 -0.94 0
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137962 52292122 1 N2O2C23H26 A2B2C23D26 -11.89 2.2 -8.72 -0.42 0