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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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37353 8020086 1 SN2O3C17H20 AB2C3D17E20 -77.72 3.58 -9.09 -0.76 0
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37354 8020094 1 N2O4C21H22 A2B4C21D22 -134.17 3.66 -8.83 -0.65 0
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37355 8020095 1 OS2N6H18C19 AB2C6D18E19 92.41 2.67 -8.73 -1.23 0
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37356 8020096 1 NSO5C20H21 ABC5D20E21 -168.52 3.98 -8.78 -0.79 0
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37357 8020097 1 NSO5C18H25 ABC5D18E25 -237.63 4.36 -8.63 -0.71 0
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37358 8020098 1 NSO5C20H21 ABC5D20E21 -169.48 2.78 -8.68 -0.87 0
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37359 8020138 1 NF3O3C15H16 AB3C3D15E16 -256.9 6.47 -9.28 -0.66 0
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37360 8020152 1 N2F3O5C16H17 A2B3C5D16E17 -289.39 9.98 -10.12 -1.64 0
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37361 8020161 1 SO3N5C17H23 AB3C5D17E23 -12.4 4.1 -8.73 -0.79 0
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37362 8020199 1 ClN3O3H12C16 AB3C3D12E16 -38.38 5.54 -8.88 -1.42 0
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37363 8020200 1 NO3C19H29 AB3C19D29 -161.17 4.27 -9.63 0.16 0
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37364 8020212 1 SN2O7C18H24 AB2C7D18E24 -246.21 7.25 -8.94 -0.71 0
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37365 8020216 1 SN2O7C18H24 AB2C7D18E24 -249.35 8.42 -8.85 -0.65 0
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37366 8020224 1 SF2N2O3H16C17 AB2C2D3E16F17 -150.04 7.64 -8.96 -0.94 0
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37367 8020234 1 O5C18H20 A5B18C20 -201.57 6.41 -9.18 -1.13 0
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37368 8020252 1 NO4C18H23 AB4C18D23 -151.68 6.46 -9.26 -0.69 0
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37369 8020259 1 N2O3C15H16 A2B3C15D16 -87.09 2.63 -9.3 -0.76 0
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37370 8020277 1 ClNO3C19H30 ABC3D19E30 -146.43 3.11 -8.99 -0.21 0
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37371 8020288 1 ClO4H15C16 AB4C15D16 -138.62 4.31 -9.3 -1.31 1
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37372 8020290 1 ClNO3C19H31 ABC3D19E31 -122.59 4.1 0.0 0.0 0
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37373 8020296 1 BrNO3C14H16 ABC3D14E16 -100.67 5.77 -8.92 -0.39 0
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37374 8020298 1 SN2O6C19H26 AB2C6D19E26 -242.65 8.93 -9.14 -0.65 0
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37375 8020301 1 NO3C18H25 AB3C18D25 -142.36 3.85 -8.98 0.14 0
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37376 8020330 1 NCl2O3C14H15 AB2C3D14E15 -117.63 3.61 -9.17 -0.5 0
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37377 8020340 1 NO4C15H19 AB4C15D19 -141.58 6.36 -8.53 -0.04 0
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37378 8020365 1 NSO5C17H23 ABC5D17E23 -213.83 4.93 -8.55 -0.7 0
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37379 8020366 1 ClN2O4H15C21 AB2C4D15E21 -74.87 10.09 -9.23 -1.42 0
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37380 8020373 2 NO2C9H11 AB2C9D11 -109.04 4.76 -9.03 -0.59 0
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37381 8020388 1 NF2O5C15H15 AB2C5D15E15 -275.97 4.87 -10.1 -0.93 0
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37382 8020391 1 SN2O5C14H18 AB2C5D14E18 -180.37 8.32 -9.57 -0.75 0
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37383 8020409 2 NO2C12H13 AB2C12D13 -99.79 3.05 -8.8 -0.59 0
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37384 8020410 2 NO2C11H12 AB2C11D12 -123.75 4.88 -9.16 -0.56 0
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37385 8020430 1 N3O5C15H21 A3B5C15D21 -189.06 6.55 -9.73 -0.69 0
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37386 8020442 1 NO3C17H23 AB3C17D23 -122.31 5.2 -8.64 0.1 0
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37387 8020444 1 NO3C17H23 AB3C17D23 -122.11 4.79 -8.67 0.04 0
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37388 8020473 1 N2O6C15H18 A2B6C15D18 -144.76 8.09 -9.24 -1.42 0
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37389 8020480 1 N3O5C16H23 A3B5C16D23 -196.46 3.48 -9.99 -0.42 0
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37390 8020491 1 N4O5C18H28 A4B5C18D28 -217.79 3.95 -9.29 -0.35 0
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37391 8020495 1 N3O3H15C16 A3B3C15D16 -43.05 5.39 -9.49 -1.12 0
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37392 8020507 1 N3O5C14H19 A3B5C14D19 -208.87 5.78 -10.16 -0.69 0
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37393 8020520 1 SN2O3C16H18 AB2C3D16E18 -71.01 8.61 -9.4 -0.9 0
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37394 8020564 1 ClNF3O3H13C14 ABC3D3E13F14 -264.96 7.07 -9.53 -1.06 0
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37395 8020607 1 NF3O6H18C19 AB3C6D18E19 -352.86 8.64 -9.37 -1.14 0
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37396 8020622 2 FO3H8C9 AB3C8D9 -265.84 7.3 -9.23 -0.9 0
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37397 8020624 1 NCl2O3C13H13 AB2C3D13E13 -113.52 3.67 -9.18 -0.66 0
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37398 8020627 1 N2O3C14H14 A2B3C14D14 -64.32 5.92 -9.31 -0.65 0
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37399 8020675 1 NO5C15H17 AB5C15D17 -159.07 2.66 -8.98 -0.36 0
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37400 8020685 1 NO5C16H19 AB5C16D19 -182.44 4.77 -10.01 -0.88 -1
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37401 8020696 1 O4H13C17 A4B13C17 -38.87 5.43 0.0 0.0 0
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37402 8020697 1 SN2O5C17H22 AB2C5D17E22 -177.33 5.83 -9.21 -0.59 0
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37403 8020712 1 NO5C15H19 AB5C15D19 -171.12 4.11 -8.04 -0.06 0
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37404 8020713 1 NO5C15H19 AB5C15D19 -167.37 2.11 -8.52 -0.06 0
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37405 8020737 1 SN2O3C16H18 AB2C3D16E18 -59.22 3.68 -9.12 -1.16 0
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37406 8020738 1 SN2O3C16H18 AB2C3D16E18 -59.02 4.3 -9.15 -1.12 0
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37407 8020752 1 NO4C17H21 AB4C17D21 -143.39 1.2 -9.58 0.06 0
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37408 8020753 1 NO4C17H21 AB4C17D21 -143.38 1.7 -9.6 0.05 0
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37409 8020764 1 ClN2O5C13H13 AB2C5D13E13 -108.02 5.43 -9.52 -1.63 0
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37410 8020775 1 NO5C15H15 AB5C15D15 -158.36 3.91 -9.22 -1.04 0
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37411 8020779 1 ClN2O5C13H13 AB2C5D13E13 -105.88 9.99 -9.41 -1.36 0
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37412 8020780 1 ClN2O5C13H13 AB2C5D13E13 -105.35 8.25 -9.45 -1.41 0
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37413 8020790 1 N2O4C17H20 A2B4C17D20 -122.94 5.18 -9.18 -0.66 0
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37414 8020794 1 NO4C19H21 AB4C19D21 -127.74 3.18 -9.39 -0.97 0
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37415 8020805 1 NSO4H17C22 ABC4D17E22 -79.44 6.05 -8.92 -1.3 0
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37416 8020841 1 NO7C21H21 AB7C21D21 -186.3 4.09 -9.21 -1.82 0
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37417 8020851 1 N2O7C17H20 A2B7C17D20 -203.37 4.58 -9.59 -1.89 0
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37418 8020871 1 N2O7C20H26 A2B7C20D26 -227.54 5.97 -9.87 -2.01 0
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37419 8020879 1 FNSO6H14C17 ABCD6E14F17 -169.75 4.46 -9.01 -1.9 0
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37420 8020880 1 FN2O7H17C19 AB2C7D17E19 -207.69 2.37 -9.86 -2.04 0
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37421 8020886 1 SN2O3C18H18 AB2C3D18E18 -47.59 4.28 -9.0 -0.75 0
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37422 8020887 1 BrNO3C16H18 ABC3D16E18 -91.07 4.11 -9.55 -0.86 0
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37423 8020895 2 NO2C5H7 AB2C5D7 -135.42 5.94 -9.62 -0.98 0
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37424 8020911 1 BrSN2O3H13C15 ABC2D3E13F15 -48.84 7.92 -9.06 -1.21 0
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37425 8020931 1 ClSN2O5C18H21 ABC2D5E18F21 -162.63 1.17 -9.31 -1.09 0
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37426 8020932 1 NSO5C18H21 ABC5D18E21 -164.25 5.95 -8.68 -0.88 0
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37427 8020963 1 BrNO3C15H16 ABC3D15E16 -88.13 6.88 -9.0 -1.09 0
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37428 8020967 1 ClNO4C16H18 ABC4D16E18 -137.53 8.77 -8.69 -0.98 0
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37429 8020978 1 N2O4H20C21 A2B4C20D21 -98.32 5.55 -8.76 -0.94 0
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37430 8021026 1 NO4C16H19 AB4C16D19 -124.67 3.75 -8.82 -0.75 0
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37431 8021030 1 SN2O5C19H26 AB2C5D19E26 -182.0 9.47 -8.89 -1.09 0
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37432 8021031 1 NCl2O3C16H17 AB2C3D16E17 -110.98 6.57 -9.57 -0.99 0
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37433 8021034 1 SN2O5C20H26 AB2C5D20E26 -174.4 12.69 -8.99 -1.1 0
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37434 8021035 1 NO5C17H19 AB5C17D19 -169.88 4.33 -9.95 -0.97 0
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37435 8021038 1 NO3C18H23 AB3C18D23 -106.47 6.96 -8.59 -0.98 0
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37436 8021045 1 N2O4C19H24 A2B4C19D24 -139.33 9.77 -8.97 -1.09 0
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37437 8021057 1 NO4C20H21 AB4C20D21 -116.1 5.34 -9.45 -0.98 0
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37438 8021060 1 ClN3O4C18H22 AB3C4D18E22 -124.77 4.46 -9.01 -0.69 0
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37439 8021081 1 ClN2O5H17C19 AB2C5D17E19 -91.36 4.05 -9.05 -1.06 0
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37440 8021093 1 ClNSO4C17H18 ABCD4E17F18 -131.14 3.12 -9.2 -0.54 0
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37441 8021094 1 ClNF2O4H18C19 ABC2D4E18F19 -229.89 2.35 -9.21 -0.44 0
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37442 8021095 1 ClNF2O4H18C19 ABC2D4E18F19 -233.85 2.81 -9.09 -0.45 0
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37443 8021108 1 ClNO5C20H20 ABC5D20E20 -174.43 7.61 -8.86 -0.9 0
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37444 8021116 1 ClNO4C21H22 ABC4D21E22 -139.41 0.72 -9.03 -0.24 0
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37445 8021128 1 ClNO4C19H20 ABC4D19E20 -129.62 5.05 -9.05 -0.27 0
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37446 8021141 1 ClFN2O6H16C18 ABC2D6E16F18 -183.57 10.51 -9.58 -1.5 0
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37447 8021144 1 ClN3O4H16C20 AB3C4D16E20 -70.74 3.26 -9.29 -1.23 0
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37448 8021148 1 ClN2O4C19H23 AB2C4D19E23 -149.61 6.12 -9.86 -0.86 0
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37449 8021171 1 ClNO5C16H20 ABC5D16E20 -207.21 3.95 -8.89 -0.07 0
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37450 8021189 1 ClN2O5C19H25 AB2C5D19E25 -222.13 6.61 -8.86 -0.18 0
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37451 8021248 1 FNSO5H20C21 ABCD5E20F21 -192.26 5.79 -9.96 -1.11 0
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37452 8021250 1 FNSO5H18C21 ABCD5E18F21 -163.16 7.21 -9.84 -1.14 0