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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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193087 78340428 1 SN3O6C28H35 AB3C6D28E35 -197.97 6.96 -8.27 0.08 0
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193088 78340573 1 O4N5C23H37 A4B5C23D37 -207.16 3.94 -8.62 0.21 1
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193090 78341121 1 SN3O3C22H29 AB3C3D22E29 -132.31 9.26 -8.7 -0.45 0
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193091 78341122 1 SN3O3C22H29 AB3C3D22E29 -122.95 10.12 -8.69 -0.43 0
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193092 78341123 1 FSN3O3C21H26 ABC3D3E21F26 -170.71 10.3 -8.75 -0.5 0
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193093 78341895 1 SN3O3C18H25 AB3C3D18E25 -119.18 6.62 -9.62 -1.63 0
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193094 78341954 1 ClSO2N3H18C19 ABC2D3E18F19 6.98 3.63 -9.09 -1.9 0
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193095 78342091 1 N3O5C20H21 A3B5C20D21 -158.17 0.89 -8.67 -0.35 0
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193096 78343069 1 F3N3O3C16H20 A3B3C3D16E20 -269.21 1.25 -9.65 -0.48 0
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193097 78343088 1 N3O5C22H31 A3B5C22D31 -195.37 7.4 -9.62 -1.35 1
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193098 78343089 1 O4N5C27H32 A4B5C27D32 -96.97 7.07 0.0 0.0 0
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193099 78343090 1 O4N5C27H31 A4B5C27D31 -99.84 8.13 -8.83 -1.52 0
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193100 78343556 1 ClN2O8C33H37 AB2C8D33E37 -278.14 5.99 -9.02 -0.39 0
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193101 78343956 1 ON3C18H19 AB3C18D19 39.28 3.58 -9.12 -0.2 0
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193102 78344029 1 SN3O5C25H29 AB3C5D25E29 -104.51 6.45 -8.48 -1.53 0
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193103 78344030 1 SF3N3O4C29H32 AB3C3D4E29F32 -266.7 4.02 -8.29 -0.64 0
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193104 78344603 1 FN2O4C35H37 AB2C4D35E37 -151.1 5.7 -9.3 -0.63 0
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193105 78345440 1 BrN3O6H14C19 AB3C6D14E19 -94.26 4.02 -9.42 -1.27 0
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193106 78345541 1 BrSN2O5H21C22 ABC2D5E21F22 -110.67 3.65 -8.64 -1.32 0
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193107 78345542 1 N3O5C25H25 A3B5C25D25 -130.04 4.21 -9.19 -1.14 0
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193108 78345543 1 SnCl2C10H13 AB2C10D13 -29.81 4.63 0.0 0.0 0
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193109 78345544 1 Cl2O2S2N3H11C12 A2B2C2D3E11F12 -55.17 5.73 -9.18 -1.26 0
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193110 78345545 1 O4N5C16H17 A4B5C16D17 -2.35 7.32 -9.09 -1.71 0
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193111 78345546 1 SO4N5C27H31 AB4C5D27E31 -3.89 9.72 -7.4 -1.14 0
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193112 78345547 1 SO4N5C27H31 AB4C5D27E31 -9.88 11.78 -8.54 -1.1 1