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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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149479 53789152 1 NSO5C15H15 ABC5D15E15 -98.22 7.33 -9.79 -0.97 0
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149480 53789153 2 N2O4C7H12 A2B4C7D12 -348.82 3.87 -9.46 -0.15 0
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149481 53789154 1 FN2O7C34H39 AB2C7D34E39 -284.98 4.84 -8.79 -0.06 0
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149482 53789155 1 O3H10C11 A3B10C11 -73.26 3.17 -9.29 -1.2 0
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149483 53789156 1 NF3O3H12C14 AB3C3D12E14 -212.36 3.33 -9.29 -0.84 0
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149484 53789157 1 SO2C22H22 AB2C22D22 49.12 1.6 -8.7 -0.52 0
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149485 53789158 1 SO4C40H62 AB4C40D62 -160.31 2.8 -9.0 -0.9 0
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149486 53789159 1 NSSiO4C17H29 ABCD4E17F29 -218.05 6.27 -8.87 -0.81 0
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149487 53789160 1 NO4C23H29 AB4C23D29 -171.62 6.45 -8.41 -0.87 0
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149488 53789161 1 FO5N6C31H35 AB5C6D31E35 -150.44 4.52 -8.94 -0.79 0
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149489 53789162 1 ON6C19H40 AB6C19D40 -18.73 3.39 -9.04 0.44 0
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149490 53789163 1 NO5C12H15 AB5C12D15 -179.92 5.93 -10.3 -0.74 0
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149491 53789164 1 ON2H12C16 AB2C12D16 75.24 3.55 -9.1 -0.76 0
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149492 53789165 1 FIO5N7H13C14 ABC5D7E13F14 -159.61 5.1 -9.57 -2.66 0
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149493 53789166 1 N2O3H28C30 A2B3C28D30 12.31 7.15 -8.89 -0.6 0
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149494 53789167 1 FO4C22H29 AB4C22D29 -233.79 8.17 -9.77 -0.39 0
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149495 53789168 1 NOC24H27 ABC24D27 13.9 2.65 -8.38 0.31 0
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149496 53789169 1 NSiO8C12H23 ABC8D12E23 -465.62 3.85 -9.57 -0.5 0
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149497 53789170 1 ON2C14H26 AB2C14D26 -95.21 5.07 -9.25 1.43 0
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149498 53789171 1 FN2O2C28H33 AB2C2D28E33 -86.51 3.63 -9.38 -1.26 0
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149499 53789172 1 O2C11H20 A2B11C20 -115.41 1.25 -8.44 1.5 0
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149500 53789173 1 O5C23H28 A5B23C28 -190.64 0.88 -9.09 -0.61 0
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149501 53789174 1 BrNO3C9H14 ABC3D9E14 -133.84 2.2 -10.21 -0.15 0
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149502 53789175 1 O7C23H28 A7B23C28 -290.25 4.29 -9.8 -0.77 0
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149503 53789176 1 ClNSO4C24H24 ABCD4E24F24 -109.86 6.36 -7.93 -1.38 0
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149504 53789177 1 N2O5C36H46 A2B5C36D46 -183.34 8.33 -8.5 -0.64 0
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149505 53789178 1 NO7C21H23 AB7C21D23 -241.09 3.46 -9.31 -1.9 0
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149506 53789179 1 NO7C21H23 AB7C21D23 -233.41 5.84 -9.06 -1.75 0
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149507 53789180 1 ON3C41H81 AB3C41D81 -197.97 5.0 -9.15 1.08 0
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149508 53789181 1 ClSN2O4C12H13 ABC2D4E12F13 -149.96 3.33 -8.93 -1.24 0
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149509 53789182 1 BrC2I2F3 AB2C2D3 -103.51 0.51 -10.42 -2.95 0
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149510 53789183 1 O2N3C20H29 A2B3C20D29 -59.04 3.05 -8.03 0.29 0
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149511 53789184 1 SN3O3H21C22 AB3C3D21E22 -22.94 8.62 -8.88 -1.0 0
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149512 53789185 1 NO5C24H27 AB5C24D27 -78.42 3.6 -8.96 -1.62 0
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149513 53789186 1 ClOSN3C24H26 ABCD3E24F26 19.7 4.79 -8.96 -0.56 0
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149514 53789187 1 ClN2O3H9C11 AB2C3D9E11 -64.84 4.44 -9.31 -1.31 0
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149515 53789188 1 N2O5C11H14 A2B5C11D14 -135.72 4.31 -8.99 -0.32 0
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149516 53789189 1 O5N6C29H32 A5B6C29D32 -50.31 9.38 -9.6 -1.04 0
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149517 53789190 1 SO2N3C5H11 AB2C3D5E11 -63.93 2.6 -9.21 0.14 0
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149518 53789191 1 SO6C22H22 AB6C22D22 -199.54 7.31 -9.67 -0.63 0
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149519 53789192 1 SN3O6H21C22 AB3C6D21E22 -151.57 6.19 -9.49 -0.61 0
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149520 53789193 1 FSO3N4H23C25 ABC3D4E23F25 -57.3 11.18 -9.31 -1.67 0
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149521 53789194 1 SO2N3C21H27 AB2C3D21E27 -36.4 3.94 -8.43 -0.22 0
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149522 53789195 1 S3O5N9C19H21 A3B5C9D19E21 -13.24 6.16 -8.92 -1.06 0
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149523 53789196 1 NO3C16H23 AB3C16D23 -127.09 4.69 -8.26 0.39 1
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149524 53789197 1 NO2C5H14 AB2C5D14 -69.26 2.82 0.0 0.0 0
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149525 53789198 1 SN2O2F9C10H13 AB2C2D9E10F13 -540.46 7.85 -10.1 -0.56 0
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149526 53789199 1 N2O3C25H26 A2B3C25D26 0.88 5.65 -9.06 -0.15 0
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149527 53789200 1 PN2O9C15H21 AB2C9D15E21 -276.12 6.15 -11.05 -2.19 0
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149528 53789201 1 C11H20 A11B20 -0.12 0.21 -9.79 2.1 0
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149529 53789202 1 OF3N4C13H15 AB3C4D13E15 -141.97 3.75 -9.84 -0.92 0
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149530 53789203 1 ClNO3C19H28 ABC3D19E28 -136.82 1.12 -8.6 0.03 0
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149531 53789204 1 O6C25H40 A6B25C40 -334.99 4.29 -9.79 0.38 0
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149532 53789205 1 N3O3C11H23 A3B3C11D23 -152.19 3.82 -9.14 0.91 0
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149533 53789206 1 SO2C11H12 AB2C11D12 -51.92 2.98 -8.95 -0.98 0
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149534 53789207 1 NSO2C11H17 ABC2D11E17 -83.18 3.36 -8.96 -0.11 0
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149535 53789208 1 O3C28H40 A3B28C40 -162.01 8.71 -9.4 -0.72 0
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149536 53789209 1 SO2C30H54 AB2C30D54 -185.22 1.37 -8.33 1.01 0
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149537 53789210 1 SN2O2C18H20 AB2C2D18E20 -34.7 1.65 -8.7 -0.74 0
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149538 53789211 1 O2H11C13F13 A2B11C13D13 -744.58 2.88 -11.15 -0.53 0
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149539 53789212 2 OC5H8 AB5C8 -96.35 3.49 -9.11 0.22 0
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149540 53789213 2 H9C11 A9B11 164.1 2.39 -7.58 -1.01 0
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149541 53789214 1 S2N3O3H9C11 A2B3C3D9E11 -24.71 3.93 -8.82 -1.8 0
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149542 53789215 1 O6H16C19 A6B16C19 -163.26 6.55 -8.54 -1.62 0
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149543 53789216 2 NC5H12 AB5C12 -40.99 1.59 -9.32 3.4 0
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149544 53789217 1 OSN2C11H16 ABC2D11E16 10.96 5.78 -8.76 -0.72 0
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149545 53789218 1 BrFNO3H15C18 ABCD3E15F18 -121.49 7.23 -9.75 -1.25 0
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149546 53789219 1 O3N8C35H38 A3B8C35D38 28.08 2.99 -8.96 -0.68 0
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149547 53789220 1 SH2O2C4 AB2C2D4 -25.85 3.77 -9.63 -2.33 0
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149548 53789221 1 O3N6C36H38 A3B6C36D38 77.91 4.24 -8.69 -1.36 0
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149549 53789222 1 O4C13H16 A4B13C16 -133.71 4.09 -9.73 0.26 0
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149550 53789223 1 NO4C10H19 AB4C10D19 -216.13 4.15 -9.67 0.45 0
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149551 53789224 1 ClSN2O2C13H15 ABC2D2E13F15 -74.38 5.04 -9.36 -0.6 0
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149552 53789225 1 O4C17H20 A4B17C20 -147.95 2.32 -8.96 0.06 0
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149553 53789226 2 C11H19 A11B19 -28.45 0.55 -9.41 1.36 0
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149554 53789227 1 N3O7C34H37 A3B7C34D37 -207.76 4.06 -8.42 -0.94 0
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149555 53789228 1 ClSO6C21H21 ABC6D21E21 -211.71 10.11 -9.49 -1.5 0
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149556 53789229 1 N5C13H21 A5B13C21 61.3 6.72 -9.0 -0.51 0
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149557 53789230 1 SN6O9C39H46 AB6C9D39E46 -264.67 15.41 -8.46 -1.2 0
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149558 53789231 1 SN4C8H12 AB4C8D12 58.48 3.85 -8.62 -0.59 0
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149559 53789232 1 ClSO2N3C12H16 ABC2D3E12F16 18.02 5.25 -9.6 -1.14 0
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149560 53789233 4 C3H5 A3B5 2.29 0.28 -8.65 0.62 0
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149561 53789234 1 N2C21H38 A2B21C38 -48.56 0.81 -8.74 0.52 0
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149562 53789235 1 O3C20H26 A3B20C26 -84.2 5.34 -9.13 0.15 0
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149563 53789236 1 FO4N5C26H30 AB4C5D26E30 -126.54 6.23 -9.41 -1.2 0
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149564 53789237 1 NC21H33 AB21C33 3.44 1.22 -8.6 0.48 0
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149565 53789238 1 O9C46H50 A9B46C50 -244.31 2.15 -9.13 -0.32 0
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149566 53789239 1 O9C46H50 A9B46C50 -244.96 5.51 -9.14 -0.37 0
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149567 53789240 2 NCl2H6C9 AB2C6D9 59.01 4.28 -9.32 -0.86 0
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149568 53789241 1 FNOH24C26 ABCD24E26 -23.61 2.37 -7.86 -0.22 0
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149569 53789242 1 O3F4N4H24C27 A3B4C4D24E27 -180.3 3.47 -8.85 -0.9 0
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149570 53789243 1 FO2H19C25 AB2C19D25 -17.18 2.68 -8.86 -0.41 0
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149571 53789244 1 N2O3H16C17 A2B3C16D17 -46.44 3.35 -8.53 -0.49 0
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149572 53789245 1 O2H8C11F12 A2B8C11D12 -688.63 2.17 -11.0 -0.41 0
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149573 53789246 1 O5H16C17 A5B16C17 -155.46 2.56 -8.96 -0.05 0
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149574 53789247 1 FO5C26H33 AB5C26D33 -255.1 5.79 -9.85 -0.96 1
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149575 53789248 1 FS3O5N8C34H36 AB3C5D8E34F36 -8.5 7.28 0.0 0.0 0
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149576 53789250 1 SN2O5C27H30 AB2C5D27E30 -164.67 1.86 -8.65 -0.46 0
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149577 53789251 1 NO2C6H13 AB2C6D13 -118.38 2.47 -10.57 0.92 0
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149578 53789252 1 ClSN2O5C23H29 ABC2D5E23F29 -155.6 6.65 -8.64 -0.89 0