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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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310235 126577089 1 O2S2N4C23H26 A2B2C4D23E26 -28.7 5.22 -8.75 -0.91 0
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310236 126577105 1 S2O3N4C28H30 A2B3C4D28E30 -46.35 3.9 -8.62 -0.86 0
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310237 126577115 1 S2O3N4C23H30 A2B3C4D23E30 -104.39 0.96 -8.45 -0.52 0
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310238 126577125 2 SN2O2C14H19 AB2C2D14E19 -180.86 3.02 -8.26 -0.41 0
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310239 126577130 1 F2O2S2N4C23H24 A2B2C2D4E23F24 -130.46 1.86 -8.96 -1.13 0
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310240 126577164 1 S2O3N4C27H32 A2B3C4D27E32 -97.8 4.23 -8.33 -0.92 0
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310241 126577165 1 O2S2F3N5C19H20 A2B2C3D5E19F20 -172.3 3.96 -9.23 -1.06 0
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310242 126577175 1 FS2N3O3C28H32 AB2C3D3E28F32 -156.7 2.51 -8.36 -0.83 0
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310243 126577195 1 S2O3N4C25H32 A2B3C4D25E32 -83.94 5.14 -8.86 -0.94 0
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310244 126577197 1 BrS2N3O3C21H26 AB2C3D3E21F26 -109.15 2.17 -8.77 -0.79 0
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310245 126577200 1 S2O3N4C30H40 A2B3C4D30E40 -117.09 2.53 -8.32 -0.81 0
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310246 126577250 1 BrS2N3O3C23H28 AB2C3D3E23F28 -104.97 1.51 -9.1 -0.97 0
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310247 126577269 1 F2S2N3O3C28H33 A2B2C3D3E28F33 -214.79 3.59 -8.9 -0.87 0
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310248 126577308 1 S2N3O4C23H31 A2B3C4D23E31 -165.46 4.44 -8.8 -0.7 0
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310249 126577314 1 S2N3O5C26H29 A2B3C5D26E29 -153.35 4.73 -8.9 -0.98 0
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310250 126577319 1 S2F3N3O4C21H24 A2B3C3D4E21F24 -306.84 3.28 -9.34 -1.16 0
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310251 126577382 1 O2N3C27H37 A2B3C27D37 -58.74 2.25 -8.28 -0.29 0
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310252 126577394 1 O2N4C27H36 A2B4C27D36 -59.76 9.45 -8.56 -0.75 0
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310253 126577406 1 O2N3C28H39 A2B3C28D39 -68.75 7.37 -8.44 -0.34 0
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310254 126577412 1 NO3C21H33 AB3C21D33 -151.4 2.71 -9.02 0.35 0
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310255 126577428 2 N3C4H5 A3B4C5 88.63 0.53 -8.63 -0.76 0
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310256 126577434 1 SO2N6C22H26 AB2C6D22E26 -2.76 8.61 -9.12 -1.0 0
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310257 126577437 1 NOC9H13 ABC9D13 -9.88 0.81 -9.34 0.3 0
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310258 126577454 1 N8O19C123H210 A8B19C123D210 -1213.18 8.79 -9.17 0.59 0
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310259 126577463 1 O3N7C30H45 A3B7C30D45 -106.0 4.33 -7.94 -0.16 0
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310260 126577492 2 NOC7H16 ABC7D16 -57.95 2.48 -8.57 0.72 0
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310261 126577502 2 NOC10H22 ABC10D22 -91.13 1.56 -8.46 0.44 0
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310262 126577505 2 NOC5H12 ABC5D12 -32.18 0.47 -8.6 0.55 0
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310263 126577540 1 SN2H18C31 AB2C18D31 167.46 4.32 -8.45 -1.22 0
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310264 126577541 1 SN2H18C31 AB2C18D31 169.44 4.21 -8.36 -1.02 0
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310265 126577569 1 SN4H24C44 AB4C24D44 256.23 8.7 -8.42 -1.21 0
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310266 126577631 1 SN2H22C37 AB2C22D37 190.47 2.68 -8.25 -0.89 0
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310267 126577681 1 ON3H25C43 AB3C25D43 202.3 4.92 -8.22 -0.97 0
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310268 126577721 1 ON3H21C36 AB3C21D36 176.44 4.72 -8.32 -0.97 0
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310269 126577733 1 N2O2H20C37 A2B2C20D37 141.82 4.38 -8.35 -0.93 0
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310270 126577741 1 N2O2H20C37 A2B2C20D37 140.13 4.34 -8.43 -1.02 0
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310271 126577748 1 O2N3H19C38 A2B3C19D38 169.06 3.56 -8.58 -1.35 0
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310272 126577754 1 N2O2H20C37 A2B2C20D37 136.93 2.27 -8.5 -1.22 0
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310273 126577758 1 OSN3H19C38 ABC3D19E38 199.52 5.73 -8.34 -1.08 0
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310274 126577761 1 OSN2H20C37 ABC2D20E37 169.23 3.22 -8.41 -1.06 0
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310275 126577775 1 OSN3H19C38 ABC3D19E38 198.44 3.71 -8.32 -1.25 0
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310276 126577776 1 OSN2H20C37 ABC2D20E37 165.78 3.55 -8.17 -0.93 1
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310277 126577789 1 N2S2O4C32H43 A2B2C4D32E43 -108.08 5.06 0.0 0.0 0
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310278 126577815 2 N2H12C21 A2B12C21 248.29 2.45 -8.12 -1.24 0
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310279 126577816 1 N3H23C35 A3B23C35 186.74 1.35 -8.48 -1.28 0
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310280 126577895 1 SN3H17C32 AB3C17D32 294.25 3.45 -8.19 -1.7 0
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310281 126577897 1 SN3H17C32 AB3C17D32 203.65 1.75 -8.37 -1.26 0
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310282 126577922 1 N5H25C44 A5B25C44 268.47 2.14 -8.01 -1.4 0
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310283 126577961 2 N2H13C23 A2B13C23 265.26 2.0 -8.17 -1.31 0
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310284 126577997 4 NH7C12 AB7C12 272.22 0.92 -8.18 -1.54 0
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310285 126578005 1 ON3H19C36 AB3C19D36 187.31 1.01 -8.56 -1.42 0
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310286 126578023 1 N3H31C51 A3B31C51 264.4 4.26 -8.3 -1.03 0
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310287 126578028 2 N2H13C22 A2B13C22 256.33 2.0 -8.19 -1.26 0
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310288 126578034 2 N2H13C22 A2B13C22 255.21 2.76 -8.29 -1.26 0
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310289 126578044 2 N2H16C27 A2B16C27 294.37 1.73 -8.21 -1.39 0
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310290 126578104 1 SO2N3C8H15 AB2C3D8E15 -46.56 7.05 -8.3 0.49 0
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310291 126578105 1 ON3C12H23 AB3C12D23 -54.27 4.16 -8.69 1.15 0
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310292 126578107 1 N2C11H22 A2B11C22 -18.62 1.31 -8.55 2.69 0
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310293 126578114 1 O2N5C18H29 A2B5C18D29 -57.84 4.82 -8.82 -0.46 0
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310294 126578171 1 O4C17H22 A4B17C22 -172.5 1.36 -9.64 0.06 0
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310295 126578177 1 N2O3C14H26 A2B3C14D26 -185.76 2.15 -9.36 0.88 0
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310296 126578188 1 N2C9H16 A2B9C16 11.91 2.87 -8.96 2.61 0
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310297 126578191 1 FNOCl3H3C7 ABCD3E3F7 -40.31 2.72 -9.84 -1.33 0
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310298 126578215 1 ClFNOH7C8 ABCDE7F8 -40.22 2.83 -9.5 -0.69 0
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310299 126578231 1 PO6N7C27H48 AB6C7D27E48 -320.4 7.4 -9.2 -0.66 0
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310300 126578262 1 N2O4C25H28 A2B4C25D28 -88.46 5.83 -8.53 -0.2 0
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310301 126578335 1 OCl3N4C25H31 AB3C4D25E31 -43.57 5.04 -8.18 -0.64 0
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310302 126578341 1 OC27H48 AB27C48 -124.33 1.66 -9.11 0.52 0
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310303 126578366 1 OCl14C23H34 AB14C23D34 -241.85 8.91 -10.08 -1.17 0
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310304 126578385 1 OC24H48 AB24C48 -132.41 1.52 -9.59 2.35 0
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310305 126578396 1 OC25H50 AB25C50 -143.14 1.51 -9.54 1.37 0
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310306 126578404 1 SO2C23H48 AB2C23D48 -173.79 3.79 -8.33 0.94 0
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310307 126578407 1 FOC24H49 ABC24D49 -210.46 1.53 -9.57 2.26 0
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310308 126578413 1 O2C31H56 A2B31C56 -171.75 1.83 -9.3 0.37 0
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310309 126578420 2 OC15H26 AB15C26 -137.95 1.58 -9.3 0.39 0