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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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84349 49865954 1 O2F3N3H16C19 A2B3C3D16E19 -152.51 7.99 -9.3 -0.74 0
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84350 49865955 1 SO6C30H40 AB6C30D40 -250.9 1.17 -9.03 -0.31 0
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84351 49865956 1 NO6C30H39 AB6C30D39 -238.3 2.26 -9.05 -1.0 0
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84352 49865957 4 O2C7H10 A2B7C10 -373.86 7.1 -9.17 -0.03 0
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84353 49865958 1 O7C35H46 A7B35C46 -302.04 5.15 -9.35 -0.22 0
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84354 49865961 1 N3C30H41 A3B30C41 31.82 1.75 -8.69 0.6 0
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84355 49865965 1 NO2C38H59 AB2C38D59 -143.23 0.95 -8.83 0.1 0
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84356 49865985 1 ON2C20H26 AB2C20D26 -16.56 2.76 -9.18 -1.11 0
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84357 49865986 1 ON2C21H28 AB2C21D28 -25.91 4.56 -9.08 -1.05 0
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84358 49865987 1 NOSCl2C15H21 ABCD2E15F21 -49.04 2.84 -9.41 -1.38 0
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84359 49865988 4 OC5H6 AB5C6 -136.15 7.0 -8.74 -0.52 0
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84360 49865989 1 FO2C19H21 AB2C19D21 -111.61 2.89 -9.65 -0.72 0
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84361 49865992 1 F2O2C19H20 A2B2C19D20 -157.29 3.13 -9.71 -0.82 0
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84362 49866014 1 NO3C38H59 AB3C38D59 -164.21 4.83 -8.81 0.05 0
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84363 49866027 1 O15C47H68 A15B47C68 -697.87 5.2 -9.35 -0.74 0
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84364 49866035 1 FO2N4C30H31 AB2C4D30E31 -45.33 4.72 -8.72 -1.08 0
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84365 49866039 1 ClON2C17H25 ABC2D17E25 -57.29 2.96 -8.89 -0.54 0
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84366 49866048 1 N3O3C22H29 A3B3C22D29 -49.44 4.96 -7.82 0.01 0
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84367 49866051 1 SCl2N3O7H21C24 AB2C3D7E21F24 -214.64 6.58 -8.99 -1.08 0
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84368 49866065 1 N2O7C35H42 A2B7C35D42 -228.79 8.37 -8.74 -0.13 0
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84369 49866066 1 N2O7C36H44 A2B7C36D44 -240.2 4.57 -8.74 -0.27 0
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84370 49866067 2 NOC16H28 ABC16D28 -129.78 5.53 -8.96 0.95 0
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84371 49866068 1 N2O3C34H60 A2B3C34D60 -128.79 5.27 -6.83 -0.95 0
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84372 49866081 1 BrF2N2O2H9C16 AB2C2D2E9F16 -72.5 1.62 -9.38 -1.47 0
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84373 49866082 1 F2N2O2H12C17 A2B2C2D12E17 -83.8 3.65 -9.03 -1.35 0
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84374 49866088 1 FON4C30H31 ABC4D30E31 -9.57 0.8 -8.7 -0.78 0
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84375 49866091 1 BrSN2C11H17 ABC2D11E17 3.77 1.31 -9.07 -0.25 0
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84376 49866092 1 BrSN2C12H19 ABC2D12E19 -1.5 2.24 -9.19 -0.33 0
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84377 49866095 1 ClNOC18H26 ABCD18E26 -62.67 1.19 -9.34 -0.51 0
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84378 49866104 1 N2O5C21H24 A2B5C21D24 -123.2 3.37 -8.62 -0.51 0
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84379 49866106 1 FN2O4C20H21 AB2C4D20E21 -129.46 3.87 -8.68 -0.75 0
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84380 49866107 1 N2Cl4O7H22C27 A2B4C7D22E27 -247.81 6.44 -8.97 -0.8 0
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84381 49866108 1 N3Cl4O7H21C26 A3B4C7D21E26 -230.61 4.64 -8.98 -1.2 0
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84382 49866116 1 ON3F4H13C18 AB3C4D13E18 -162.97 7.23 -9.48 -1.21 0
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84383 49866121 1 NO7C32H41 AB7C32D41 -285.99 7.03 -9.76 -0.33 0
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84384 49866129 1 N2O7C28H34 A2B7C28D34 -262.22 4.4 -8.79 -0.31 0
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84385 49866133 1 N2O6C33H34 A2B6C33D34 -155.01 2.63 -8.78 -0.43 0
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84386 49866134 1 N2O9C39H42 A2B9C39D42 -267.02 4.25 -8.77 -0.81 0
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84387 49866139 1 NO3H15C16 AB3C15D16 -78.04 4.27 -8.44 -0.07 0
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84388 49866140 3 O3C8H8 A3B8C8 -273.64 4.03 -8.29 -0.64 0
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84389 49866184 1 FN3O3C26H26 AB3C3D26E26 -94.86 3.77 -8.22 -0.46 0
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84390 49866185 1 N3O4H25C26 A3B4C25D26 -80.32 1.91 -8.23 -0.79 0
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84391 49866187 1 OF2N3H11C17 AB2C3D11E17 -12.24 2.11 -8.92 -1.3 0
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84392 49866188 1 OF3N3H8C16 AB3C3D8E16 -48.74 2.27 -9.33 -1.48 0
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84393 49866191 1 FON2H19C20 ABC2D19E20 -17.39 5.83 -9.04 -0.69 0
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84394 49866195 1 NO2C20H27 AB2C20D27 -68.57 4.14 -8.18 -0.06 0
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84395 49866213 1 NO20C53H85 AB20C53D85 -921.97 6.36 -8.91 -0.8 0
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84396 49866215 1 NO23C50H89 AB23C50D89 -1103.26 8.58 -9.08 0.21 0
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84397 49866217 1 N5O18C62H93 A5B18C62D93 -754.37 4.48 -8.94 -0.57 0
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84398 49866219 1 N5O18C62H93 A5B18C62D93 -701.24 15.89 -8.97 -0.57 0
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84399 49866226 1 FN3O3C27H28 AB3C3D27E28 -100.59 2.96 -7.96 -0.3 0
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84400 49866228 1 N5C17H27 A5B17C27 65.37 3.81 -8.88 -0.14 0
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84401 49866236 2 NO2H9C11 AB2C9D11 -10.24 8.99 -8.92 -1.69 0
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84402 49866250 1 OSN3C13H19 ABC3D13E19 19.02 5.22 -8.52 -0.82 0
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84403 49866262 1 N2O6C23H26 A2B6C23D26 -174.45 2.74 -8.58 -0.54 0
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84404 49866264 1 N3O6C24H29 A3B6C24D29 -163.44 7.62 -8.26 -0.41 0
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84405 49866295 1 SN6O6C43H70 AB6C6D43E70 -273.22 4.11 -8.74 -0.73 0
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84406 49866298 1 ClO13C24H29 AB13C24D29 -532.33 4.78 -9.15 -1.19 0
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84407 49866314 1 SCl2N3O5C22H25 AB2C3D5E22F25 -185.54 3.74 -8.66 -0.88 0
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84408 49866316 1 BrO11C35H39 AB11C35D39 -437.57 14.28 -9.44 -0.77 0
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84409 49866319 1 Br2O11C36H40 A2B11C36D40 -446.64 2.97 -9.59 -1.01 0
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84410 49866320 1 BrO11C36H41 AB11C36D41 -452.84 11.55 -9.54 -0.92 0
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84411 49866321 1 O11C37H44 A11B37C44 -463.18 9.38 -9.4 -0.45 0
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84412 49866323 1 BrO11C35H39 AB11C35D39 -439.18 10.2 -9.53 -1.24 0
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84413 49866326 1 NO11C36H39 AB11C36D39 -408.26 6.38 -9.82 -1.08 0
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84414 49866330 1 IO11C35H39 AB11C35D39 -428.2 9.01 -9.51 -1.18 0
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84415 49866331 1 NO11C37H41 AB11C37D41 -414.05 9.06 -9.82 -1.01 0
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84416 49866337 1 N3O11C43H57 A3B11C43D57 -439.13 9.72 -8.98 -0.72 0
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84417 49866341 1 FN4O6H29C31 AB4C6D29E31 -131.16 5.82 -8.59 -1.22 0
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84418 49866342 1 F3N4O6H29C32 A3B4C6D29E32 -246.89 4.8 -8.65 -1.63 0
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84419 49866343 1 F3N4O6H31C33 A3B4C6D31E33 -252.99 7.0 -8.59 -1.53 0
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84420 49866359 1 O11C36H36 A11B36C36 -351.69 2.62 -8.45 -0.8 0
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84421 49866360 1 O8H24C27 A8B24C27 -226.4 6.04 -8.61 -0.87 0
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84422 49866379 1 ClNO4C6H10 ABC4D6E10 -190.99 5.61 -10.84 0.09 0
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84424 49866402 1 SN4O5C13H18 AB4C5D13E18 -148.85 2.6 -9.26 -1.34 0
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84425 49866403 2 O2C9H16 A2B9C16 -140.36 3.32 -9.26 0.25 0
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84426 49866407 1 BrSN3O5C14H18 ABC3D5E14F18 -154.29 3.13 -9.12 -1.32 0
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84427 49866411 1 FeN2S2O3C14H16 AB2C2D3E14F16 -74.87 7.0 -7.34 -0.55 0
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84428 49866412 1 N4O6C33H36 A4B6C33D36 -155.09 10.12 -8.64 -1.72 0
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84429 49866414 1 SN3O5C15H21 AB3C5D15E21 -171.39 7.94 -8.76 -0.95 3
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84430 49866417 1 CuOH3 ABC3 155.47 4.77 -3.81 -0.92 2
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84431 49866420 1 FeN4O4H38C40 AB4C4D38E40 171.5 9.5 -8.27 -1.39 0
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84432 49866422 2 O5N12C26H30 A5B12C26D30 -159.27 7.22 -8.88 -0.56 0
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84433 49866430 1 FSN3O5C14H18 ABC3D5E14F18 -204.57 4.47 -8.93 -1.11 0
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84434 49866431 1 SF3N3O5C15H18 AB3C3D5E15F18 -319.05 3.74 -9.11 -1.31 0
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84435 49866432 1 BrN7C16H20 AB7C16D20 95.86 3.42 -8.13 -0.62 0
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84436 49866433 1 BrSN3O5C14H18 ABC3D5E14F18 -158.09 3.22 -9.11 -1.15 -1
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84437 49866439 1 ClNO4C21H23 ABC4D21E23 -118.79 4.11 0.0 0.0 0
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84438 49866440 1 SN3O6C14H19 AB3C6D14E19 -201.22 6.91 -9.01 -1.61 0
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84439 49866442 2 NC3H6 AB3C6 -2.7 0.8 -8.35 1.44 0
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84440 49866446 1 PN2O9C13H19 AB2C9D13E19 -434.97 4.36 -9.86 -0.7 0
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84441 49866448 1 PN4O8C14H19 AB4C8D14E19 -341.95 2.57 -9.32 -0.67 0
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84442 49866449 1 PN2O9C14H23 AB2C9D14E23 -466.69 1.78 -9.64 -0.49 0
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84443 49866451 1 ClO2N5H10C17 AB2C5D10E17 156.16 4.26 -9.78 -2.59 0
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84444 49866455 1 NO2C6H15 AB2C6D15 -124.26 2.03 -9.84 2.4 0
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84445 49866456 1 P2O11C47H98 A2B11C47D98 -813.52 5.65 -10.14 0.41 0
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84446 49866457 1 N2O11C20H20 A2B11C20D20 -429.59 4.66 -9.24 -1.27 0
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84447 49866459 1 FPN5O6C12H13 ABC5D6E12F13 -268.16 4.75 -9.16 -1.14 0
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84448 49866460 1 FPN4O7C10H12 ABC4D7E10F12 -337.25 10.44 -9.14 -0.52 0
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84449 49866461 1 O5C8H14 A5B8C14 -241.61 2.69 -10.52 0.33 0