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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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39178 8139874 1 OF2N2C17H19 AB2C2D17E19 -70.75 2.27 0.0 0.0 0
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39179 8139875 1 OF2N2C17H18 AB2C2D17E18 -88.83 6.79 -9.34 -0.63 1
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39180 8139876 1 N2O3C19H23 A2B3C19D23 -50.45 0.92 0.0 0.0 0
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39181 8139878 1 ClNO4C19H20 ABC4D19E20 -128.68 6.54 -9.4 -0.85 0
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39182 8139879 1 ClNO4C19H20 ABC4D19E20 -128.88 3.73 -9.26 -0.76 1
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39183 8139881 1 ClO2N3C20H25 AB2C3D20E25 -43.63 8.93 0.0 0.0 0
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39184 8139882 1 ClO2N3C20H24 AB2C3D20E24 -55.73 4.44 -8.52 -0.82 0
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39185 8139883 1 ClNO4C19H20 ABC4D19E20 -140.57 5.43 -9.34 -0.85 0
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39186 8139884 1 ClNO4C19H20 ABC4D19E20 -139.62 5.58 -9.5 -0.87 1
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39187 8139885 1 ClO2N3C22H29 AB2C3D22E29 -48.63 4.58 0.0 0.0 0
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39188 8139888 1 ON5C25H25 AB5C25D25 84.4 7.18 -8.98 -0.76 0
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39189 8139889 1 NCl2O4C19H19 AB2C4D19E19 -138.57 4.75 -9.31 -0.7 1
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39190 8139891 1 ON4C26H27 AB4C26D27 97.72 2.89 0.0 0.0 0
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39191 8139892 1 ON4C26H26 AB4C26D26 76.91 4.55 -8.94 -0.77 0
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39192 8139893 1 NCl2O4C19H19 AB2C4D19E19 -150.07 3.05 -9.64 -0.83 0
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39193 8139894 1 NCl2O4C19H19 AB2C4D19E19 -146.81 6.16 -9.64 -0.87 0
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39194 8139895 1 N3O6H17C19 A3B6C17D19 -70.0 4.46 -9.26 -2.16 0
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39195 8139897 1 ClSN2O3C19H23 ABC2D3E19F23 -91.99 4.5 -8.68 -1.06 1
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39196 8139898 1 N2O3C21H27 A2B3C21D27 -53.12 2.99 0.0 0.0 1
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39197 8139900 1 N2O2C22H25 A2B2C22D25 -2.35 6.67 0.0 0.0 0
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39198 8139901 2 NOC11H12 ABC11D12 -20.72 4.35 -8.52 -0.4 1
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39199 8139903 1 OSN2C19H25 ABC2D19E25 13.42 2.86 0.0 0.0 0
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39200 8139904 1 OSN2C19H24 ABC2D19E24 -3.25 4.13 -8.61 -0.09 0
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39201 8139907 2 NO2C10H10 AB2C10D10 -61.45 1.82 -9.01 -0.85 1
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39202 8139908 1 S2N3O3C20H28 A2B3C3D20E28 -52.16 5.94 0.0 0.0 0
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39203 8139909 1 S2N3O3C20H27 A2B3C3D20E27 -78.1 2.56 -8.9 -0.87 0
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39204 8139912 1 N3O3C23H31 A3B3C23D31 -102.5 2.43 -8.94 -0.04 0
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39205 8139915 1 FO2N3C22H28 AB2C3D22E28 -103.23 2.55 -8.83 -0.51 0
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39206 8139916 1 NO4C20H21 AB4C20D21 -101.12 4.71 -8.96 -0.39 1
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39207 8139917 1 N2O2C21H29 A2B2C21D29 -38.66 4.28 0.0 0.0 0
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39208 8139918 1 N2O2C21H28 A2B2C21D28 -54.35 5.39 -8.93 -0.11 1
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39209 8139919 1 N2O2C20H27 A2B2C20D27 -38.2 3.21 0.0 0.0 0
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39210 8139923 1 BrOSN2C20H25 ABCD2E20F25 -8.57 4.41 -8.71 -0.3 0
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39211 8139924 1 NO5H21C22 AB5C21D22 -147.7 4.59 -8.8 -1.28 1
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39212 8139925 1 O2N3C19H22 A2B3C19D22 18.3 4.24 0.0 0.0 0
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39213 8139926 1 O2N3C19H21 A2B3C19D21 -0.59 9.88 -9.16 -0.4 0
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39214 8139927 1 ClN2O4H15C18 AB2C4D15E18 -55.58 1.73 -9.14 -1.12 0
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39215 8139930 1 SN2O5C19H20 AB2C5D19E20 -170.63 5.22 -9.12 -0.71 0
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39216 8139931 2 NO3C10H10 AB3C10D10 -128.88 4.02 -8.93 -0.48 1
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39217 8139932 1 O2N3C21H28 A2B3C21D28 -41.45 5.15 0.0 0.0 0
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39218 8139933 1 O2N3C21H27 A2B3C21D27 -55.64 6.4 -8.95 -0.12 0
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39219 8139934 1 N2O5C21H22 A2B5C21D22 -167.54 8.19 -8.29 -0.28 1
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39220 8139935 1 O2N3C21H28 A2B3C21D28 -39.2 4.39 0.0 0.0 0
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39221 8139938 1 N2O3C22H28 A2B3C22D28 -90.88 2.02 -8.94 -0.44 1
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39222 8139941 1 N2O3C22H31 A2B3C22D31 -71.45 2.75 0.0 0.0 0
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39223 8139942 1 N2O3C22H30 A2B3C22D30 -87.9 5.57 -8.65 -0.26 0
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39224 8139943 1 ClSO2N3C20H20 ABC2D3E20F20 -46.41 1.22 -9.22 -1.0 1
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39225 8139947 1 N2O2C21H29 A2B2C21D29 -40.8 1.96 0.0 0.0 0
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39226 8139948 1 N2O2C21H28 A2B2C21D28 -58.38 4.98 -8.58 0.19 0
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39227 8139949 1 SN2O3H22C23 AB2C3D22E23 -53.67 1.53 -9.14 -1.4 1
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39228 8139950 1 N2O3C23H33 A2B3C23D33 -80.65 4.27 0.0 0.0 0
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39229 8139951 1 N2O3C23H32 A2B3C23D32 -92.82 6.45 -8.48 0.01 0
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39230 8139953 1 O2N6C23H28 A2B6C23D28 -25.59 3.81 -9.22 -0.85 0
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39231 8139955 2 NOC11H15 ABC11D15 -57.15 3.26 -8.77 0.08 1
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39232 8139956 1 N3O3C22H26 A3B3C22D26 -40.91 4.31 0.0 0.0 0
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39233 8139957 1 N3O3C22H25 A3B3C22D25 -77.84 3.52 -9.16 -1.3 0
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39234 8139959 1 SO2N5C21H23 AB2C5D21E23 39.17 3.39 -8.94 -0.79 1
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39235 8139960 1 O2N3C20H26 A2B3C20D26 -29.33 5.44 0.0 0.0 0
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39236 8139961 1 O2N3C20H25 A2B3C20D25 -49.66 5.3 -8.76 -0.47 0
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39237 8139963 1 SO3N4C19H22 AB3C4D19E22 6.52 7.85 -8.32 -0.63 1
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39238 8139964 1 BrO2N3C19H23 AB2C3D19E23 -19.18 2.75 0.0 0.0 0
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39239 8139965 1 BrO2N3C19H22 AB2C3D19E22 -38.47 6.18 -9.38 -0.58 1
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39240 8139966 1 ClO2N3C19H23 AB2C3D19E23 -34.29 3.88 0.0 0.0 0
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39241 8139967 1 ClO2N3C19H22 AB2C3D19E22 -49.51 6.17 -9.4 -0.46 0
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39242 8139968 1 SO2N4C19H22 AB2C4D19E22 30.49 7.79 -8.87 -0.8 1
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39243 8139969 1 ClN2O2C18H22 AB2C2D18E22 -27.23 3.42 0.0 0.0 0
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39244 8139970 1 ClN2O2C18H21 AB2C2D18E21 -43.38 4.47 -9.06 -0.24 0
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39245 8139972 1 N2O3C22H28 A2B3C22D28 -87.98 6.43 -8.46 0.1 0
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39246 8139973 1 SO2N3C21H23 AB2C3D21E23 -36.82 2.8 -9.19 -1.14 0
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39247 8139975 1 N2O2C19H24 A2B2C19D24 -39.12 4.8 -8.84 0.05 0
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39248 8139976 1 SO2N3C21H23 AB2C3D21E23 -40.84 3.26 -8.96 -0.76 0
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39249 8139977 1 SO2N3C21H23 AB2C3D21E23 -48.58 3.65 -9.07 -0.9 0
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39250 8139979 1 O2S2N3C19H27 A2B2C3D19E27 -58.61 5.1 -8.96 -1.22 0
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39251 8139980 1 SO2N3C21H23 AB2C3D21E23 -51.2 2.03 -9.07 -0.86 0
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39252 8139983 1 O2S2N3C18H25 A2B2C3D18E25 -56.44 4.28 -9.18 -1.32 0