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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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176195 76007545 1 ClN2O2C15H18 AB2C2D15E18 15.93 3.66 0.0 0.0 0
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176196 76007674 1 NO2H15C18 AB2C15D18 27.87 2.74 -8.85 -0.75 0
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176197 76007686 1 N2C21H22 A2B21C22 71.3 3.82 -8.61 -0.57 0
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176198 76007848 1 NSO4C19H23 ABC4D19E23 -136.4 5.62 -9.27 -0.06 0
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176199 76008213 1 S2O9N10C45H68 A2B9C10D45E68 -426.47 14.94 -8.47 0.01 0
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176200 76008288 1 NSO4C32H35 ABC4D32E35 -114.22 4.63 -8.93 -0.73 0
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176201 76008580 1 SO2N5C29H37 AB2C5D29E37 -33.94 4.18 -7.99 -0.16 0
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176202 76008643 1 Cl2N3O7C32H35 A2B3C7D32E35 -156.85 61.27 -6.36 -2.53 0
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176203 76008644 1 Cl2N4O7C40H42 A2B4C7D40E42 -88.18 42.24 -7.07 -2.84 0
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176204 76008645 1 SCl2N5O7C32H41 AB2C5D7E32F41 -180.89 65.96 -7.44 -3.64 0
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176205 76009096 1 N30O33C123H214 A30B33C123D214 -1655.04 31.57 -7.58 -2.94 0
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176206 76009898 1 PN3O8C9H16 AB3C8D9E16 -360.2 6.5 -10.2 -0.52 0
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176207 76010336 1 N3O4C26H33 A3B4C26D33 -142.3 1.83 -9.27 -0.12 0
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176208 76010645 1 ON5H19C20 AB5C19D20 119.19 11.35 -9.08 -2.29 0
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176209 76011243 1 NO3C21H39 AB3C21D39 -194.33 6.89 -9.9 -0.06 0
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176210 76011244 1 NO2C23H35 AB2C23D35 -55.16 3.67 -8.98 0.36 0
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176211 76011314 1 SN3O4C14H19 AB3C4D14E19 -90.05 10.47 -9.49 -1.0 1
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176212 76011857 1 O2N3C42H56 A2B3C42D56 8.54 4.13 0.0 0.0 0
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176213 76012059 1 BN2F4H35C41 AB2C4D35E41 -194.03 19.73 -9.33 -1.61 1
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176214 76012060 1 N2H35C41 A2B35C41 160.04 2.33 0.0 0.0 0
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176215 76012376 1 N6O9C38H62 A6B9C38D62 -440.09 5.23 -9.46 -0.05 0
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176216 76012713 1 NO6C26H27 AB6C26D27 -159.28 6.06 -8.27 -0.23 0
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176217 76012740 1 NSO3H15C19 ABC3D15E19 -44.16 5.24 -8.67 -1.36 0
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176218 76012895 1 NO5C33H53 AB5C33D53 -295.49 2.0 -9.45 0.01 0
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176219 76012896 1 NO5C39H57 AB5C39D57 -268.41 1.75 -8.97 -0.08 0
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176220 76012897 1 NO3C32H53 AB3C32D53 -211.48 2.47 -9.45 1.03 0
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176221 76012992 1 O14N16C69H118 A14B16C69D118 -712.14 9.84 -9.17 -0.31 0
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176222 76012993 1 N6O7C34H54 A6B7C34D54 -324.95 6.27 -9.44 -0.51 0
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176223 76013211 1 BrO2N5C18H22 AB2C5D18E22 -16.66 5.48 -9.27 -0.55 0
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176224 76013467 1 SF2N2O2H14C19 AB2C2D2E14F19 -89.82 2.05 -9.12 -0.57 1
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176225 76013487 1 FSN2O4H14C20 ABC2D4E14F20 -105.38 4.23 0.0 0.0 1
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176226 76013488 1 FSN3O3H19C23 ABC3D3E19F23 -88.95 8.53 0.0 0.0 0
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176227 76013489 1 FSO2N3H14C20 ABC2D3E14F20 -12.99 7.63 -9.38 -1.06 0
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176228 76013507 1 ClSN2O3H17C20 ABC2D3E17F20 -47.39 7.17 -9.16 -0.62 0
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176229 76013627 1 OF2N5C23H25 AB2C5D23E25 -30.37 8.06 -8.26 -0.38 0
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176230 76014176 1 O5N6C25H28 A5B6C25D28 -114.63 6.04 -8.51 -0.4 0
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176231 76014519 1 FSO3N4C24H27 ABC3D4E24F27 -130.98 8.51 -9.26 -0.85 0
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176232 76014765 1 OCl2N2S2H14C16 AB2C2D2E14F16 -10.92 3.47 -8.61 -1.17 0
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176233 76014816 1 SN3O3H13C17 AB3C3D13E17 -28.2 1.83 -8.84 -1.8 0
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176234 76014817 1 O2S2N3H11C16 A2B2C3D11E16 17.85 4.63 -8.48 -1.94 0
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176235 76014818 1 SN3O3H13C14 AB3C3D13E14 -63.54 3.82 -9.59 -1.88 0
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176236 76015547 2 SN3O6C22H29 AB3C6D22E29 -438.57 2.09 -8.88 -0.68 0
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176237 76015585 1 ClSO3C26H41 ABC3D26E41 -199.53 6.04 -9.83 -1.19 0
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176238 76016099 1 SN12O12C34H58 AB12C12D34E58 -560.5 11.82 -9.29 -0.48 0
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176239 76016638 1 NO4C25H27 AB4C25D27 -105.02 3.14 -8.96 0.08 0
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176240 76016639 1 NO5C12H19 AB5C12D19 -220.19 2.4 -9.67 -0.63 0
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176241 76017133 2 O6C21H25 A6B21C25 -445.72 6.76 -9.38 -0.38 0
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176242 76017134 2 O6C21H25 A6B21C25 -448.82 5.84 -9.32 -0.36 0
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176243 76017135 2 O5C18H19 A5B18C19 -310.38 3.87 -8.96 -0.05 0
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176244 76017144 1 BrNOF6C31H38 ABCD6E31F38 -342.98 16.34 -7.84 -0.81 1