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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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184245 77132985 1 O2C21H36 A2B21C36 -130.68 2.28 -9.41 1.09 0
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184246 77133378 1 ClO2N5C10H12 AB2C5D10E12 -41.92 2.45 -8.99 -0.79 0
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184247 77133524 1 ClN3O3C9H14 AB3C3D9E14 -144.04 7.41 -9.86 -0.29 0
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184248 77133571 1 ClN2O3C9H13 AB2C3D9E13 -149.88 1.83 -10.31 -0.52 0
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184249 77133805 1 ClN2O2F3C6H6 AB2C2D3E6F6 -255.27 3.45 -10.83 -0.74 0
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184250 77133898 1 Cl2N2O3C8H12 A2B2C3D8E12 -153.1 5.18 -10.27 -0.51 0
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184251 77134268 1 OSN4C7H14 ABC4D7E14 -21.27 4.14 -8.88 0.45 0
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184252 77134385 1 N2P3C13O14H21 A2B3C13D14E21 -796.02 3.76 -9.61 -0.49 -1
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184253 77134670 1 PO3C8H18 AB3C8D18 -179.44 5.08 0.0 0.0 0
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184254 77135425 1 ClNSC7H14 ABCD7E14 -10.48 4.35 -8.79 0.04 0
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184255 77135586 1 SN3O7C9H13 AB3C7D9E13 -283.64 3.3 -10.21 -0.9 0
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184256 77135774 1 SN2O3H14C15 AB2C3D14E15 -57.19 5.14 -9.68 -1.34 0
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184257 77135970 1 O2N3C14H19 A2B3C14D19 -12.8 4.05 -9.08 -0.16 0
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184258 77136179 1 ClN4O4C21H23 AB4C4D21E23 -67.14 10.23 -9.19 -2.15 0
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184259 77136551 1 OSN2C13H26 ABC2D13E26 -78.83 2.3 -8.81 0.47 0
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184260 77136578 1 N2O3C34H48 A2B3C34D48 -74.91 4.3 -8.52 -1.1 0
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184261 77136600 1 SN2O4C17H24 AB2C4D17E24 -149.85 7.68 -9.8 -0.11 0
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184262 77136601 1 FSN2O4C18H23 ABC2D4E18F23 -173.89 5.64 -9.88 -0.3 0
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184263 77136604 1 ClSN4O6C44H53 ABC4D6E44F53 -213.25 4.32 -9.27 -0.12 0
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184264 77137071 1 FISO3N8C30H32 ABCD3E8F30G32 0.24 20.68 -7.89 -1.51 0
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184265 77137428 1 N2O4C17H22 A2B4C17D22 -95.81 5.68 -9.46 -0.29 0
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184266 77137534 1 ClFO4N5C20H21 ABC4D5E20F21 -124.77 5.99 -8.36 -0.66 0
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184267 77137543 2 O2N3C9H13 A2B3C9D13 -94.28 5.7 -9.59 -0.89 0
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184268 77137574 1 FO2N4C13H13 AB2C4D13E13 -36.79 3.85 -9.45 -0.54 0
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184269 77137694 1 N5O14C30H53 A5B14C30D53 -693.1 4.95 -9.26 -0.23 0
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184270 77138005 1 FN2O4H29C30 AB2C4D29E30 -116.43 2.81 -8.68 -0.56 0
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184271 77138006 1 SO2N6C19H26 AB2C6D19E26 -9.38 5.82 -9.16 -1.02 0
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184272 77138284 1 N3O10C38H71 A3B10C38D71 -534.82 5.84 -8.33 0.36 0
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184273 77138288 1 N9O12C32H55 A9B12C32D55 -598.21 8.96 -9.8 -0.13 0
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184274 77138289 1 NO3H21C23 AB3C21D23 2.54 11.51 -9.07 -2.1 0
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184275 77138333 1 ClFN2O3C25H26 ABC2D3E25F26 -124.3 5.06 -8.63 -0.57 0
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184276 77138555 1 O14C45H70 A14B45C70 -676.47 4.39 -9.35 0.22 0
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184277 77138556 1 ClSO3F4N4C25H29 ABC3D4E4F25G29 -292.03 2.86 -8.57 -0.59 0
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184278 77138704 1 O2N3C30H31 A2B3C30D31 12.9 3.03 -8.46 -0.52 0
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184279 77139466 1 S3O6N8C19H20 A3B6C8D19E20 -29.86 9.67 -9.04 -1.18 0
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184280 77139698 2 O2N3C11H18 A2B3C11D18 -170.51 3.63 -8.95 -0.05 0
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184281 77139699 1 O23C54H88 A23B54C88 -1087.08 6.91 -8.65 0.3 0
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184282 77139700 1 Cl2F3O6N7C33H34 A2B3C6D7E33F34 -363.28 7.35 -8.84 -1.1 0
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184283 77139701 1 F3O6N7H32C33 A3B6C7D32E33 -289.78 14.97 -8.48 -1.76 0
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184284 77139702 1 Cl3F3O6N7C33H33 A3B3C6D7E33F33 -375.66 6.69 -8.82 -1.08 0
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184285 77139703 1 ClF3O6N7H31C33 AB3C6D7E31F33 -301.2 18.34 -8.59 -1.76 0
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184286 77139994 1 BrF2N3O6C17H18 AB2C3D6E17F18 -299.59 7.45 -10.11 -1.35 0
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184287 77140139 1 N2O5C27H32 A2B5C27D32 -144.42 4.65 -9.03 -1.8 0
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184288 77140140 1 NO5C21H31 AB5C21D31 -200.1 4.62 -9.02 -1.5 0
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184289 77140176 1 NSO3H29C32 ABC3D29E32 -13.85 3.4 -9.13 -0.44 0
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184290 77140177 1 SN2O5H26C31 AB2C5D26E31 -8.26 4.5 -9.58 -1.42 0
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184291 77140582 1 N4O6C19H28 A4B6C19D28 -246.69 3.21 -8.77 -0.61 0
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184292 77140590 1 N4O5C11H14 A4B5C11D14 -141.62 2.36 -10.14 -0.58 0
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184293 77141218 1 FeP2O4C28H40 AB2C4D28E40 -139.54 15.4 -6.25 -0.79 0
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184294 77141953 1 ClSO2N3C26H30 ABC2D3E26F30 -11.9 4.65 -8.8 -0.86 0