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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37953 8025856 1 SO3N4C19H28 AB3C4D19E28 -94.94 4.57 -9.43 -0.01 0
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37954 8025891 1 NO5C21H23 AB5C21D23 -170.48 4.52 -8.63 -0.79 0
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37955 8025894 1 ClN2O2C20H21 AB2C2D20E21 -50.29 1.6 -8.88 -0.95 0
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37956 8025895 1 ClNSO4C19H26 ABCD4E19F26 -178.59 1.93 -9.03 -0.16 0
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37957 8025896 1 N2S2O3H16C17 A2B2C3D16E17 -79.66 3.49 -8.59 -1.02 0
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37958 8025900 1 O2N3C20H27 A2B3C20D27 -33.44 4.56 -8.44 -0.47 0
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37959 8025905 1 NO4C22H33 AB4C22D33 -127.02 3.94 -8.24 0.34 0
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37960 8025913 1 N2O2C15H18 A2B2C15D18 -65.14 4.0 -9.0 -0.93 1
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37961 8025921 1 NO3C21H32 AB3C21D32 -109.86 2.3 0.0 0.0 0
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37962 8025927 1 SO2N3H15C20 AB2C3D15E20 12.25 4.58 -9.01 -1.36 0
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37963 8025928 1 Cl2N2O3H14C18 A2B2C3D14E18 -81.02 2.56 -9.99 -1.12 0
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37964 8025929 1 ClN2O2H13C17 AB2C2D13E17 -34.7 5.21 -9.29 -1.25 2
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37965 8025935 1 N4C17H20 A4B17C20 146.8 12.69 -5.26 -1.93 0
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37966 8025976 1 SO2N4C21H24 AB2C4D21E24 -59.08 3.32 -8.34 -0.87 0
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37967 8025978 1 SO2N4C21H24 AB2C4D21E24 -57.19 3.91 -8.46 -0.88 0
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37968 8025981 1 O2N3C21H25 A2B3C21D25 -47.62 5.71 -8.46 -0.03 0
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37969 8025983 1 FSN3O3C19H20 ABC3D3E19F20 -136.81 4.91 -9.0 -1.28 0
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37970 8025988 1 SN5C24H25 AB5C24D25 142.22 5.4 -8.58 -0.44 1
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37971 8025995 1 OSN4C18H25 ABC4D18E25 0.41 5.16 0.0 0.0 0
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37972 8026141 1 NO4C22H25 AB4C22D25 -112.8 9.33 -8.66 -0.75 0
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37973 8026160 1 N2O6H18C21 A2B6C18D21 -179.08 5.63 -8.52 -1.69 0
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37974 8026170 1 N3O4H19C24 A3B4C19D24 -10.67 7.38 -9.23 -0.94 0
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37975 8026183 1 SO3N4H20C21 AB3C4D20E21 -13.07 1.71 -9.58 -1.09 0
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37976 8026199 1 S2O3N4C17H18 A2B3C4D17E18 -24.85 5.5 -8.84 -1.17 0
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37977 8026200 1 SO2N4H14C19 AB2C4D14E19 26.27 5.21 -9.53 -1.63 0
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37978 8026219 1 ClON4C20H21 ABC4D20E21 42.76 6.72 -8.55 -0.96 0
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37979 8026228 1 SO2N4C20H22 AB2C4D20E22 -17.49 2.22 -8.87 -0.73 0
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37980 8026229 1 SO3N4H16C17 AB3C4D16E17 -33.41 5.32 -10.08 -1.54 0
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37981 8026230 1 S2N3O3C19H19 A2B3C3D19E19 -44.95 4.26 -9.09 -0.97 0
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37982 8026232 1 OSN4H18C21 ABC4D18E21 65.36 5.03 -9.24 -1.21 0
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37983 8026234 1 ON2S2F3H15C17 AB2C2D3E15F17 -161.45 2.83 -8.82 -1.14 0
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37984 8026239 1 OSN3H15C17 ABC3D15E17 36.06 5.64 -8.36 -1.01 0
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37985 8026240 2 NOC11H11 ABC11D11 -22.33 4.51 -8.17 -0.28 1
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37986 8026243 1 ClO2N4C21H24 AB2C4D21E24 -25.36 8.68 0.0 0.0 0
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37987 8026245 1 OSN4C23H26 ABC4D23E26 8.84 1.77 -8.56 -0.91 0
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37988 8026247 1 ClO2N4C21H23 AB2C4D21E23 -39.47 9.24 -8.89 -0.64 0
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37989 8026248 1 N3O3C23H25 A3B3C23D25 -69.29 4.23 -8.91 -0.78 0
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37990 8026254 1 O3N4C22H24 A3B4C22D24 -70.46 3.45 -8.9 -0.68 0
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37991 8026267 1 N2S2O3C19H24 A2B2C3D19E24 -97.32 2.94 -8.94 -1.24 0
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37992 8026271 1 O3N4H18C19 A3B4C18D19 -37.34 1.48 -8.48 -1.25 0
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37993 8026276 1 ClN2O4H13C18 AB2C4D13E18 -118.79 6.47 -9.34 -1.35 0
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37994 8026286 1 NOF2H15C16 ABC2D15E16 -103.6 3.2 -9.17 -1.11 0
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37995 8026287 1 SO3N5C19H21 AB3C5D19E21 -28.07 8.07 -9.4 -1.21 0
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37996 8026291 1 FN2O4H15C16 AB2C4D15E16 -128.24 3.13 -9.05 -0.46 0
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37997 8026292 1 N3O7H13C18 A3B7C13D18 -146.77 6.65 -9.75 -1.83 0
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37998 8026293 1 F2N2O7H12C18 A2B2C7D12E18 -239.62 7.74 -9.15 -1.76 0
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37999 8026295 1 N4O4H16C21 A4B4C16D21 15.11 9.62 -8.9 -1.3 0
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38000 8026300 1 SO2N4H12C13 AB2C4D12E13 -13.29 5.98 -9.28 -0.85 0
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38001 8026316 1 OSN4C18H20 ABC4D18E20 50.71 6.29 -8.57 -0.51 0
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38002 8026317 1 N3O7C20H23 A3B7C20D23 -255.78 4.72 -9.37 -0.92 0