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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84821 49870177 1 FON3C5H6 ABC3D5E6 -71.44 7.06 -8.77 -0.1 0
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84822 49870178 1 OSN5H9C11 ABC5D9E11 66.86 6.1 -9.25 -1.25 0
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84823 49870181 1 ClO2N3H24C25 AB2C3D24E25 -15.13 3.43 -8.2 -0.47 0
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84824 49870182 2 FON2H11C12 ABC2D11E12 -84.07 3.39 -8.21 -0.98 0
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84825 49870189 1 F2O2N8H20C21 A2B2C8D20E21 -33.8 3.83 -9.02 -1.09 0
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84826 49870196 1 SO3N5C22H27 AB3C5D22E27 -37.31 7.61 -9.37 -0.94 0
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84827 49870209 1 O3N7C22H23 A3B7C22D23 -38.38 3.05 -9.31 -1.9 0
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84828 49870210 1 O5N6C20H24 A5B6C20D24 -160.28 2.76 -9.37 -1.74 0
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84829 49870212 1 O2N6C19H20 A2B6C19D20 28.03 10.4 -9.02 -1.01 0
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84831 49870242 1 N2O6H12C17 A2B6C12D17 -174.76 11.02 -9.97 -1.65 0
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84832 49870247 1 N2O15C47H76 A2B15C47D76 -694.24 3.89 -8.8 -0.62 0
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84833 49870248 1 SO2H7N7C9 AB2C7D7E9 51.67 6.25 -9.48 -1.9 0
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84834 49870251 1 OS2H7N7C11 AB2C7D7E11 132.51 4.04 -8.94 -1.8 0
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84835 49870252 1 OS2N6H8C12 AB2C6D8E12 122.65 2.43 -8.77 -1.71 0
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84836 49870257 1 SO6N8C44H52 AB6C8D44E52 -178.87 6.29 -8.65 -0.76 0
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84837 49870264 3 ON3C10H19 AB3C10D19 -146.21 4.12 -9.0 -0.77 0
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84838 49870265 3 ON3C11H21 AB3C11D21 -161.38 1.06 -8.89 -0.92 0
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84839 49870275 1 N4O15C42H74 A4B15C42D74 -707.37 8.73 -8.76 0.39 1
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84840 49870281 1 O6H15C17 A6B15C17 -178.65 7.74 0.0 0.0 0
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84841 49870282 1 ClO6H15C17 AB6C15D17 -198.43 7.83 -8.95 -2.07 1
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84842 49870283 1 O6H15C17 A6B15C17 -178.26 7.16 0.0 0.0 0
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84843 49870284 1 ClO7H15C17 AB7C15D17 -240.42 5.65 -8.57 -0.66 0
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84844 49870287 1 O2N5H25C26 A2B5C25D26 38.0 5.82 -8.64 -0.5 0
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84845 49870301 1 ON5C19H19 AB5C19D19 67.63 6.25 -8.72 -0.47 1
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84846 49870313 1 PS3O9C43H58 AB3C9D43E58 -237.5 13.34 0.0 0.0 0