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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327276 126689389 1 F3N4O4C24H25 A3B4C4D24E25 -267.56 3.0 -9.04 -1.37 0
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327277 126689390 1 F3O3N4C25H27 A3B3C4D25E27 -225.07 1.85 -8.79 -0.94 0
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327278 126689392 1 FC8H15 AB8C15 -67.86 1.82 -9.74 1.2 0
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327279 126689395 1 FSN3O6C22H22 ABC3D6E22F22 -117.02 6.11 -9.4 -1.35 0
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327280 126689396 1 SN3O6C23H25 AB3C6D23E25 -79.33 3.59 -9.43 -1.18 0
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327281 126689397 1 SN3O6C23H25 AB3C6D23E25 -79.7 3.39 -9.41 -1.18 0
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327282 126689399 1 SN4O5C21H24 AB4C5D21E24 -55.2 3.16 -9.4 -1.18 0
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327283 126689400 1 SN4O7C22H26 AB4C7D22E26 -149.8 3.96 -9.43 -1.22 0
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327284 126689401 1 SN4O5C21H24 AB4C5D21E24 -65.67 5.28 -9.38 -1.13 0
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327285 126689403 1 FSN3O6C22H22 ABC3D6E22F22 -116.65 3.5 -9.44 -1.41 0
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327286 126689404 4 OC3H5 AB3C5 -191.54 1.95 -9.97 0.67 0
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327287 126689407 1 FSN3O6C22H22 ABC3D6E22F22 -117.47 3.44 -9.4 -1.36 0
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327288 126689410 1 BrFSN3O6C19H23 ABCD3E6F19G23 -239.23 6.27 -9.49 -1.29 0
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327289 126689416 1 SN4O7C22H24 AB4C7D22E24 -111.23 5.53 -9.24 -1.1 0
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327290 126689419 1 FSN3O6C22H22 ABC3D6E22F22 -112.95 2.13 -9.4 -1.38 0
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327291 126689422 1 SN3O7C25H25 AB3C7D25E25 -136.94 5.81 -9.46 -1.35 0
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327292 126689423 1 FSN3O6C21H22 ABC3D6E21F22 -202.67 3.49 -9.12 -0.85 0
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327293 126689431 1 SN4O6C27H30 AB4C6D27E30 -112.05 2.6 -8.93 -1.11 0
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327294 126689433 1 BrFO2C8H8 ABC2D8E8 -66.65 2.0 -9.93 0.14 0
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327295 126689434 1 SN3O7C20H21 AB3C7D20E21 -129.63 5.64 -9.47 -1.3 0
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327296 126689435 1 SN3O7C20H21 AB3C7D20E21 -131.63 6.45 -9.48 -1.31 0
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327297 126689439 1 SN3O8C29H33 AB3C8D29E33 -178.51 5.53 -9.28 -1.05 0
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327298 126689441 1 FSN3O6C21H22 ABC3D6E21F22 -206.99 2.98 -9.03 -0.88 0
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327299 126689447 1 OC13H18 AB13C18 -28.68 1.95 -9.57 0.2 0
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327300 126689448 1 SN4O6C25H30 AB4C6D25E30 -165.1 3.06 -8.87 -0.81 0
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327301 126689454 1 SN3O6C26H27 AB3C6D26E27 -104.34 3.53 -9.25 -1.17 0
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327302 126689455 1 FSN3O6C21H24 ABC3D6E21F24 -190.58 4.59 -9.42 -1.27 -1
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327303 126689459 1 SN3O4C6H10 AB3C4D6E10 -54.21 1.17 0.0 0.0 0
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327304 126689470 1 F4O4N6H34C35 A4B4C6D34E35 -239.97 4.77 -9.79 -1.0 0
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327305 126689477 1 BrN3O5H32C33 AB3C5D32E33 -79.72 6.27 -8.82 -1.28 0
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327306 126689478 1 S2N5O10C24H33 A2B5C10D24E33 -297.45 4.96 -9.0 -0.9 0
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327307 126689480 1 S2N5O12C24H33 A2B5C12D24E33 -430.06 9.0 -9.44 -0.69 0
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327308 126689481 1 S2O6C19H30 A2B6C19D30 -238.99 3.53 -8.98 0.03 -2
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327309 126689482 1 S2N5O12C24H31 A2B5C12D24E31 -395.68 8.18 -9.39 -1.03 0
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327310 126689489 1 S2O8C13H24 A2B8C13D24 -376.05 5.79 -10.32 -0.33 0
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327311 126689494 1 S2N3O6C18H31 A2B3C6D18E31 -221.01 5.28 -8.91 0.02 0
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327312 126689495 1 N2S2O10C25H32 A2B2C10D25E32 -391.25 4.7 -9.13 -0.3 0
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327313 126689496 1 S2O6C17H26 A2B6C17D26 -233.34 5.49 -9.19 -0.17 0
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327314 126689498 1 N5O8C13H15 A5B8C13D15 -199.49 5.81 -10.26 -1.05 0
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327315 126689502 1 N3O5C22H35 A3B5C22D35 -248.04 6.12 -9.59 0.11 0
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327316 126689508 1 N3O5C22H35 A3B5C22D35 -253.15 11.31 -9.86 -0.15 0
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327317 126689510 1 ON3C23H43 AB3C23D43 -108.42 3.84 -8.79 1.5 0
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327318 126689515 1 O3F4N5H25C28 A3B4C5D25E28 -182.87 3.83 -9.58 -1.2 0
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327319 126689518 1 ON3H13C18 AB3C13D18 71.81 3.11 -8.74 -0.8 0
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327320 126689520 1 ClON3H8C12 ABC3D8E12 39.11 3.87 -8.86 -0.86 0
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327321 126689529 1 ON3H9C12 AB3C9D12 48.81 2.83 -8.72 -0.86 0
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327322 126689531 1 FON3H12C18 ABC3D12E18 23.72 4.52 -8.8 -0.87 0
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327323 126689536 1 ON4C6H6 AB4C6D6 19.53 3.0 -8.53 -0.53 0
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327324 126689537 1 ON3H9C11 AB3C9D11 79.14 3.34 -8.62 -0.91 0
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327325 126689542 1 O2N3H15C16 A2B3C15D16 22.48 2.63 -8.68 -0.85 0
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327326 126689543 1 ClO2N3H14C16 AB2C3D14E16 14.12 2.84 -8.78 -0.82 0
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327327 126689546 1 BrO2N3H8C12 AB2C3D8E12 25.45 1.56 -9.0 -1.17 0
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327328 126689547 1 ON3H13C14 AB3C13D14 29.1 3.63 -8.78 -0.79 0
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327329 126689554 1 NO3F6H31C33 AB3C6D31E33 -377.79 4.73 -9.38 -0.66 0
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327330 126689557 2 N4H19C21 A4B19C21 359.95 3.73 -8.94 -1.8 0
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327331 126689558 2 N4H18C21 A4B18C21 398.83 4.71 -9.27 -2.11 0
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327332 126689564 1 NO3F4H31C32 AB3C4D31E32 -266.14 4.75 -9.15 -0.38 0
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327333 126689568 1 NF4O4H29C31 AB4C4D29E31 -305.44 6.66 -9.28 -0.7 0
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327334 126689569 1 N2O4C27H28 A2B4C27D28 -74.48 9.09 -8.52 -0.09 0
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327335 126689573 1 SO3F4H16C18 AB3C4D16E18 -299.67 5.02 -9.46 -0.66 0
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327336 126689580 1 NO3C29H29 AB3C29D29 -48.03 3.68 -8.28 0.01 0
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327337 126689583 1 F3O3N4H21C30 A3B3C4D21E30 -113.72 3.1 -8.72 -1.44 0
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327338 126689584 1 ClN3O3C14H14 AB3C3D14E14 -38.46 4.27 -10.27 -1.33 1
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327339 126689585 1 ClN3O3C14H15 AB3C3D14E15 -36.09 1.13 0.0 0.0 0
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327340 126689586 1 ClN3O3C14H14 AB3C3D14E14 -28.35 7.26 -9.98 -1.56 0
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327341 126689595 1 N2O3F4C33H34 A2B3C4D33E34 -264.26 3.06 -8.9 -0.56 0
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327342 126689596 1 N2F4O5C34H34 A2B4C5D34E34 -359.31 8.58 -9.37 -0.64 0
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327343 126689614 1 O7C11H14 A7B11C14 -282.04 3.49 -10.2 -1.08 0
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327344 126689617 1 N3O4C8H9 A3B4C8D9 -113.07 7.19 -9.67 -0.73 0
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327345 126689626 1 N3O3C17H21 A3B3C17D21 -71.11 7.7 -8.79 -0.86 0
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327346 126689635 1 FSO6N7H28C33 ABC6D7E28F33 -86.85 4.13 -8.43 -0.96 0
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327347 126689636 1 F3O3N5H26C29 A3B3C5D26E29 -147.54 6.82 -9.46 -1.54 0
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327348 126689639 1 NSO5C19H39 ABC5D19E39 -269.37 8.66 -8.74 0.32 0
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327349 126689641 1 SN2O5C22H46 AB2C5D22E46 -283.26 17.32 -9.7 -0.18 1
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327350 126689642 1 SN2O5C22H47 AB2C5D22E47 -278.17 8.18 0.0 0.0 0