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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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21346 587980 1 NSC10H17 ABC10D17 -10.97 0.95 -8.99 -0.07 0
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21347 587981 1 O6C11H14 A6B11C14 -244.98 7.05 -10.59 -0.81 0
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21348 587982 1 SN2O2C16H28 AB2C2D16E28 -137.79 5.47 -9.29 -0.15 0
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21349 587983 1 N2O3C16H28 A2B3C16D28 -172.53 7.32 -9.58 0.6 0
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21350 587984 1 BrNOSC15H20 ABCDE15F20 -47.57 2.62 -8.99 -0.4 0
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21351 587986 1 SiCl3C4H9 AB3C4D9 -114.57 1.32 -10.05 -0.39 0
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21352 587988 1 O3C11H18 A3B11C18 -147.35 5.57 -10.21 -0.23 0
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21353 587989 1 NO2C7H11 AB2C7D11 -101.5 4.03 -10.26 0.12 0
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21354 587990 1 ClO3N4H9C11 AB3C4D9E11 -74.94 2.89 -9.42 -1.56 0
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21355 587994 1 NOH6F9C11 ABC6D9E11 -498.11 3.22 -10.04 -1.15 0
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21356 587996 2 FOC6H7 ABC6D7 -178.59 3.22 -10.32 -1.0 0
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21357 588000 1 SN3O3C16H17 AB3C3D16E17 -70.09 2.56 -9.1 -0.67 0
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21358 588006 1 NOSiC9H17 ABCD9E17 -66.92 3.37 -9.93 0.83 0
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21359 588008 1 SBr3O3H7C12 AB3C3D7E12 -51.72 5.46 -9.48 -1.1 0
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21360 588012 2 ClOH6C7 ABC6D7 -63.17 0.03 -9.54 -0.5 0
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21361 588015 1 PSO2C10H21 ABC2D10E21 -182.24 1.93 -9.44 0.06 0
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21362 588020 1 ClO4C16H23 AB4C16D23 -212.2 5.29 -9.95 -0.11 0
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21363 588022 1 F2O2C13H16 A2B2C13D16 -181.41 2.81 -10.37 -1.06 0
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21364 588023 2 OC4H7 AB4C7 -100.51 3.9 -9.43 1.62 0
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21365 588025 1 OSiC9H18 ABC9D18 -90.12 1.39 -9.08 0.85 0
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21366 588027 1 N2C11H24 A2B11C24 -18.45 1.58 -8.11 1.34 0
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21367 588028 1 O4C11H18 A4B11C18 -208.74 3.87 -10.86 0.72 0
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21368 588034 1 ClNOH14C15 ABCD14E15 -20.06 4.92 -8.82 -0.16 0
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21369 588035 1 ClC15H17 AB15C17 61.28 1.6 -9.25 -0.3 0
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21370 588040 1 SN2O3C7H8 AB2C3D7E8 -100.3 4.62 -9.62 -1.0 0
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21371 588042 1 BrF2N2O2C7H9 AB2C2D2E7F9 -148.85 4.62 -9.84 -1.47 0
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21372 588043 1 FNOSCl2H10C15 ABCDE2F10G15 -49.73 1.96 -9.23 -1.06 0
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21373 588044 1 N2O2F3C7H9 A2B2C3D7E9 -206.82 4.9 -9.97 -0.2 0
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21374 588045 1 N2O2F5C8H9 A2B2C5D8E9 -306.63 4.64 -9.94 -0.12 0
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21375 588051 1 O3C21H34 A3B21C34 -188.01 2.75 -9.69 1.66 0
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21376 588054 1 B2N4O7C17H24 A2B4C7D17E24 -383.98 7.78 -9.29 -0.57 0
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21377 588055 1 ClF2H7C8 AB2C7D8 -93.78 2.93 -10.18 -0.65 0
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21378 588056 1 ClNC7H8 ABC7D8 9.44 3.05 -9.68 -0.3 0
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21379 588063 1 N2O3C7H12 A2B3C7D12 -96.49 2.33 -9.59 0.34 0
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21380 588065 1 FN2C22H23 AB2C22D23 21.53 3.17 -8.68 -0.36 0
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21381 588067 1 B4O11C20H34 A4B11C20D34 -733.79 2.03 -10.28 0.91 0
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21382 588068 1 ClO2N4H9C10 AB2C4D9E10 20.53 7.01 -9.62 -0.86 0
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21383 588070 1 SN2O6H16C20 AB2C6D16E20 -129.53 3.65 -9.61 -1.69 0
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21384 588072 1 SN3O6H9C16 AB3C6D9E16 -35.16 5.91 -9.71 -1.73 0
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21385 588077 1 OF2N2H6C10 AB2C2D6E10 -66.18 4.47 -9.97 -1.34 0
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21386 588079 1 OSN2F4H8C16 ABC2D4E8F16 -128.32 6.03 -9.17 -1.26 0
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21387 588080 1 OF2N3H7C10 AB2C3D7E10 -45.74 4.8 -10.22 -1.46 0
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21388 588081 1 ClOF2H3C7 ABC2D3E7 -114.98 3.45 -10.86 -1.53 0
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21389 588082 1 ClOF2H3C7 ABC2D3E7 -113.19 3.68 -10.52 -1.59 0
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21390 588086 1 F2O3H10C15 A2B3C10D15 -159.08 2.91 -9.78 -1.28 0
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21391 588092 1 SN2O4H17C19 AB2C4D17E19 -51.45 5.09 0.0 0.0 1
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21392 588093 1 NOF2C11H11 ABC2D11E11 -112.18 5.02 -9.49 -0.69 0
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21393 588097 1 SO2F6H6C9 AB2C6D6E9 -382.37 3.84 -9.63 -1.16 0
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21394 588099 1 F2N3O4C13H13 A2B3C4D13E13 -159.98 8.47 -8.74 -1.41 0
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21395 588109 1 SO2H18C22 AB2C18D22 -7.88 5.27 -8.84 -0.77 0
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21396 588121 1 FO2C24H39 AB2C24D39 -186.74 1.89 -10.14 -0.83 0
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21397 588122 1 FO2C24H39 AB2C24D39 -186.71 1.73 -10.25 -0.81 0
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21398 588123 1 FO2C24H39 AB2C24D39 -187.81 0.8 -10.13 -0.89 0
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21399 588124 1 FO2C16H23 AB2C16D23 -151.33 1.8 -10.25 -0.81 0
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21400 588127 4 OC2H3 AB2C3 -136.46 3.0 -9.53 0.0 0
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21401 588128 1 NOSC6H7 ABCD6E7 -24.16 4.75 -9.08 -0.64 0
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21402 588131 1 FN3C6H8 AB3C6D8 -0.14 2.42 -8.85 -0.4 0
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21403 588132 1 ClNO3C18H22 ABC3D18E22 -91.21 4.81 -9.15 -0.22 0
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21404 588135 1 FN3C6H8 AB3C6D8 -4.34 2.59 -9.03 -0.32 0
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21405 588136 1 ClN3O3H12C17 AB3C3D12E17 61.27 8.47 -9.2 -1.77 0
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21406 588139 1 NC14H15 AB14C15 35.24 2.79 -7.89 -0.17 0
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21407 588142 1 N2O3C15H24 A2B3C15D24 -63.41 6.44 -10.16 -1.41 0
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21408 588143 4 OC2H3 AB2C3 -170.69 2.14 -10.48 -0.68 0
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21409 588152 1 ClO2H11C13 AB2C11D13 -54.91 2.91 -9.05 -0.72 0
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21410 588154 1 BrClON2H12C14 ABCD2E12F14 0.07 4.12 -8.97 -0.74 0
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21411 588156 1 ClOSN2H17C20 ABCD2E17F20 28.39 6.66 -8.51 -0.53 0
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21412 588160 1 OF2H4C7 AB2C4D7 -96.78 2.11 -10.4 -1.36 0
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21413 588161 1 BrON2H15C19 ABC2D15E19 55.59 3.44 -8.81 -0.72 0
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21414 588162 1 ClOH11C13 ABC11D13 -12.64 2.09 -8.98 -0.63 0
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21415 588163 1 H10C11 A10B11 52.41 1.16 -8.84 -0.5 0
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21416 588164 1 S3H18C22 A3B18C22 77.69 1.63 -8.8 -1.58 0
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21417 588167 1 ClF3O3C12H12 AB3C3D12E12 -280.26 0.52 -9.09 -0.37 0
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21418 588168 1 O2N3H13C14 A2B3C13D14 -11.76 3.39 -9.32 -0.49 0
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21419 588170 1 NOF2H11C17 ABC2D11E17 -67.28 4.75 -8.54 -0.97 0
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21420 588173 1 OCl2N2H14C15 AB2C2D14E15 -28.11 3.49 -9.04 -0.37 0
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21421 588176 1 ClNC7H8 ABC7D8 3.59 1.41 -9.38 -0.23 0
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21422 588181 1 SO4C10H12 AB4C10D12 -161.58 8.49 -9.78 -1.19 0
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21423 588183 1 NSC10H17 ABC10D17 -6.57 1.83 -9.26 -0.19 0
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21424 588185 1 NSC9H15 ABC9D15 -6.6 0.98 -8.95 -0.09 0
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21425 588188 2 OH8C11 AB8C11 -2.01 2.04 -8.85 -0.96 0
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21426 588189 1 N2O2C7H12 A2B2C7D12 -103.98 2.63 -10.25 0.13 0
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21427 588190 1 OSN2C9H14 ABC2D9E14 -39.56 3.44 -9.08 -0.58 0
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21428 588191 1 OSN2C6H8 ABC2D6E8 -6.85 3.68 -9.29 -0.81 0
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21429 588192 1 SO2C7H8 AB2C7D8 -69.53 6.52 -9.74 -1.14 0
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21430 588200 1 N2O2C21H26 A2B2C21D26 -41.86 3.86 -9.42 0.08 0
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21431 588201 1 N2O5C12H18 A2B5C12D18 -248.95 2.26 -11.05 -0.7 0
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21432 588218 1 ON2C23H24 AB2C23D24 27.0 4.81 -8.92 -0.58 0
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21433 588219 1 SN3O3C18H21 AB3C3D18E21 -75.14 4.82 -9.51 -0.89 0
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21434 588224 2 NOC9H13 ABC9D13 -44.28 2.38 -8.51 0.19 0
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21435 588229 1 O3C23H30 A3B23C30 -138.95 1.43 -8.95 -0.51 0
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21436 588232 1 SO3C8H10 AB3C8D10 -114.62 2.33 -8.93 -1.0 0
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21437 588238 1 N2O3C13H24 A2B3C13D24 -174.01 4.32 -8.79 1.01 0
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21438 588239 2 NO2C8H10 AB2C8D10 -170.84 4.21 -9.37 0.01 0
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21439 588241 1 S2O5F6C12H16 A2B5C6D12E16 -521.9 5.15 -9.15 -0.58 0
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21440 588244 2 NH6C7 AB6C7 76.76 4.98 -9.16 -0.81 0
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21441 588252 2 OC15H26 AB15C26 -186.37 1.44 -9.67 2.82 0
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21442 588267 1 N2O3F8H10C17 A2B3C8D10E17 -483.79 5.89 -9.28 -1.42 0
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21443 588277 2 N2H9C10 A2B9C10 83.17 3.11 -8.51 -0.55 0
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21445 588335 1 NO4C10H19 AB4C10D19 -207.73 3.1 -9.76 0.47 0
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21446 588336 1 NO3C23H37 AB3C23D37 -172.38 4.04 -9.18 0.58 0