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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404391 135066151 1 O3N5H23C24 A3B5C23D24 -22.2 9.06 -8.21 -0.66 0
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404392 135066152 1 O2N4H20C23 A2B4C20D23 61.02 2.58 -8.72 -0.78 0
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404393 135066153 1 O2N3H21C25 A2B3C21D25 51.33 4.05 -8.94 -0.89 0
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404394 135066154 1 NO3H15C17 AB3C15D17 -58.63 2.52 -8.54 -1.31 0
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404395 135066155 1 O3N5C11H15 A3B5C11D15 -30.63 4.51 -9.05 -0.93 0
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404396 135066157 1 O2N3C21H23 A2B3C21D23 -10.79 2.66 -8.55 -1.12 0
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404397 135066160 1 O3N4C14H16 A3B4C14D16 -64.5 8.41 -8.6 -0.46 0
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404398 135066161 1 OSN6C15H18 ABC6D15E18 67.72 4.89 -8.16 -1.26 0
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404399 135066163 1 NPO2H18C22 ABC2D18E22 -21.4 3.53 -9.12 -0.5 0
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404400 135066164 1 PO2H19C23 AB2C19D23 -33.48 3.11 -8.85 -0.41 0
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404401 135066165 1 NPO2H16C17 ABC2D16E17 -56.28 1.6 -9.49 -0.85 0
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404402 135066166 2 PO2C13H13 AB2C13D13 -173.87 2.41 -9.14 -0.72 0
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404403 135066168 1 PO3F4H15C16 AB3C4D15E16 -328.15 4.64 -9.41 -0.84 0
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404404 135066169 1 PO2C30H35 AB2C30D35 -81.46 3.94 -9.42 -0.26 0
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404405 135066170 2 PN2O2C5H8 AB2C2D5E8 -185.89 9.99 -9.22 -0.17 2
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404406 135066171 2 PN2O2C5H9 AB2C2D5E9 -146.93 6.83 -7.45 -0.39 0
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404407 135066172 1 PO2C20H27 AB2C20D27 -115.61 3.01 -9.07 -0.67 0
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404408 135066173 1 PO2C22H31 AB2C22D31 -122.2 3.02 -9.79 -0.14 0
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404409 135066174 1 FNPO4C28H35 ABCD4E28F35 -241.76 7.51 -8.86 -0.77 0
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404410 135066176 1 PSN2O6C26H31 ABC2D6E26F31 -242.71 5.34 -9.41 -0.22 0
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404411 135066177 1 PSiN3O3C18H26 ABC3D3E18F26 -118.11 6.35 -9.86 -0.51 0
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404412 135066178 1 PSiN2F3O3C18H26 ABC2D3E3F18G26 -313.33 5.46 -9.99 -0.28 0
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404413 135066180 1 NPO4C27H34 ABC4D27E34 -189.33 5.29 -9.01 -0.58 0
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404414 135066181 1 NPO2H22C23 ABC2D22E23 -65.0 3.75 -8.83 -0.84 0
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404415 135066182 1 PF2O3C16H17 AB2C3D16E17 -238.41 5.88 -9.22 -0.61 0
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404416 135066271 1 BrNO6H26C28 ABC6D26E28 -184.21 5.16 -9.64 -1.34 0
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404417 135066272 1 S2N3O5H19C20 A2B3C5D19E20 -137.73 5.74 -8.82 -0.63 0
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404418 135066273 1 SN2O6H22C26 AB2C6D22E26 -82.28 10.24 -9.05 -1.39 0
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404419 135066274 1 NO5C17H23 AB5C17D23 -203.69 7.15 -8.58 -0.14 0
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404420 135066275 1 NO5C19H27 AB5C19D27 -211.75 5.14 -8.73 0.05 0
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404421 135066276 1 NO3H15C16 AB3C15D16 -73.73 1.44 -8.69 -0.49 0
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404422 135066277 1 NSO7C28H31 ABC7D28E31 -229.92 7.77 -9.32 -0.64 0
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404423 135066278 1 BrFNO6H25C28 ABCD6E25F28 -230.7 3.11 -9.74 -1.4 0
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404424 135066279 1 NO4C19H27 AB4C19D27 -165.54 3.97 -9.56 -0.58 0
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404425 135066280 2 NO2C7H9 AB2C7D9 -135.86 4.48 -9.53 -0.24 0
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404426 135066281 1 S2N3O5C21H21 A2B3C5D21E21 -134.35 11.22 -8.63 -0.95 0
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404427 135066282 1 ClNF2O3C20H20 ABC2D3E20F20 -205.93 2.58 -9.99 -1.1 0
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404428 135066283 1 NF2O3C20H27 AB2C3D20E27 -245.16 4.9 -10.0 -0.34 0
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404429 135066284 1 O2S2N3C27H31 A2B2C3D27E31 2.87 11.24 -8.85 -1.16 0
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404430 135066285 1 O2S2N3C27H31 A2B2C3D27E31 3.26 9.55 -8.92 -1.26 0
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404431 135066286 1 N2Cl3O5H21C24 A2B3C5D21E24 -168.6 1.77 -9.03 -1.5 0
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404432 135066287 1 NO3C21H25 AB3C21D25 -78.89 2.74 -8.02 -0.25 0
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404433 135066289 1 NO6C21H31 AB6C21D31 -298.48 1.71 -9.73 -0.01 0
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404434 135066291 1 S2N3O5H19C21 A2B3C5D19E21 -114.48 5.15 -8.84 -0.69 0
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404435 135066292 1 SN2O3H26C27 AB2C3D26E27 -42.67 7.46 -8.9 -0.53 0
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404436 135066293 1 BrSN2O6H19C22 ABC2D6E19F22 -98.11 10.83 -10.06 -1.36 0
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404437 135066294 1 O2C15H22 A2B15C22 -101.13 1.55 -9.55 0.16 0
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404438 135066295 2 O3C7H8 A3B7C8 -250.48 1.91 -10.16 -0.83 0
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404439 135066296 1 ClO4C13H15 AB4C13D15 -180.51 1.1 -9.71 -0.4 0
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404440 135066297 1 NO2C16H23 AB2C16D23 -100.84 2.87 -8.83 0.24 0
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404441 135066298 1 NO2C18H25 AB2C18D25 -89.26 1.99 -9.23 0.17 0
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404442 135066300 1 FNO3C16H16 ABC3D16E16 -136.76 2.81 -9.75 -0.49 0
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404443 135066301 2 OC8H12 AB8C12 -107.12 1.44 -9.51 0.2 0
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404444 135066302 1 O3C12H14 A3B12C14 -118.79 4.6 -10.3 -0.93 0
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404445 135066303 1 NO2C13H17 AB2C13D17 -59.11 4.56 -9.58 0.19 0
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404446 135066305 1 NSO5C17H19 ABC5D17E19 -165.3 6.25 -9.72 -0.6 0
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404447 135066306 1 O3C14H22 A3B14C22 -139.87 5.42 -9.57 0.05 0
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404448 135066307 1 BrOF3C13H22 ABC3D13E22 -254.71 4.01 -10.39 -0.1 0
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404449 135066308 1 N2S2O4H20C21 A2B2C4D20E21 -53.97 5.02 -9.49 -0.8 0
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404450 135066309 1 N2S2O5H20C21 A2B2C5D20E21 -96.69 4.7 -9.04 -1.04 0
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404451 135066350 1 NOC19H23 ABC19D23 7.04 4.18 -8.68 0.22 0
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404452 135066406 1 FOC22H23 ABC22D23 -30.95 1.41 -8.91 -0.29 0
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404453 135066407 1 FNSO3C12H24 ABCD3E12F24 -206.51 2.71 -8.45 0.48 0
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404454 135066408 1 FNS2O3C18H22 ABC2D3E18F22 -120.65 3.87 -8.09 -0.71 0
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404455 135066409 1 NSO5C19H23 ABC5D19E23 -150.57 5.93 -9.32 -0.64 0
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404456 135066410 1 NSO4C19H23 ABC4D19E23 -122.68 4.78 -9.42 -0.46 0
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404457 135066413 2 N4O4Si4C84H89 A4B4C4D84E89 -34.21 12.03 -8.1 -2.62 0
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404458 135066414 1 ZnN8O8H48C64 AB8C8D48E64 484.48 5.08 -9.1 -2.0 -2
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404460 135066416 1 CuO4N12C56H56 AB4C12D56E56 609.18 13.12 0.0 0.0 0
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404462 135066418 1 InN8Cl17C32 AB8C17D32 302.73 3.75 -8.56 -2.76 0
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404463 135066421 1 CuN8C56F64 AB8C56D64 -2607.07 3.51 0.0 0.0 0
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404464 135066422 1 ZnN8O8Cl16C128H128 AB8C8D16E128F128 117.8 5.8 -8.55 -1.9 0
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404465 135066424 1 CuCl8N8S8C64H72 AB8C8D8E64F72 326.12 8.16 0.0 0.0 0
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404466 135066425 2 Cl4N4S4C32H37 A4B4C4D32E37 138.75 6.93 -7.75 -2.51 0
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404467 135066428 1 CoO4N8Cl12H20C56 AB4C8D12E20F56 512.94 23.56 0.0 0.0 0
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404468 135066429 2 O2N4Cl6H11C28 A2B4C6D11E28 224.15 7.58 -8.2 -2.78 0
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404469 135066430 1 CoCl8N8O8H40C80 AB8C8D8E40F80 423.0 38.3 0.0 0.0 0
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404470 135066431 2 Cl4N4O4H21C40 A4B4C4D21E40 355.78 10.8 -8.26 -2.36 0
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404471 135066434 1 ZnF8N8S8O72C144H152 AB8C8D8E72F144G152 -3007.81 17.18 -8.58 -2.99 0
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404472 135066435 2 F4N4S4O36C72H77 A4B4C4D36E72F77 -3106.78 2.74 -8.55 -2.85 0
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404473 135066436 1 ZnN8O16C112H176 AB8C16D112E176 -470.7 26.4 -7.31 -1.66 0
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404474 135066438 1 CuN16C32H48 AB16C32D48 414.86 7.06 0.0 0.0 0
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404475 135066439 1 ZnN16H112C128 AB16C112D128 782.63 9.42 -6.78 -1.7 0
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404476 135066440 2 N8H57C64 A8B57C64 659.32 3.65 -7.11 -1.8 0
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404477 135066441 1 ZnN8S8H56C72 AB8C8D56E72 577.87 7.48 -8.04 -2.06 0
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404478 135066442 1 MgN8H24F48C80 AB8C24D48E80 -1936.73 21.77 -7.54 -3.79 0
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404479 135066444 2 O2N5C18H18 A2B5C18D18 166.25 4.34 -8.33 -2.64 0
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404480 135066445 1 ClGaH8N8F16C48 ABC8D8E16F48 -434.06 8.72 -7.92 -3.19 0
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404481 135066447 1 SiBr4O6N8H102C104 AB4C6D8E102F104 -27.13 5.9 -7.11 -2.21 0
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404482 135066481 1 N2S2O4C19H20 A2B2C4D19E20 -107.11 9.78 -9.69 -0.92 0
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404483 135066489 1 SN2H12C14 AB2C12D14 93.48 3.04 -8.69 -0.64 0
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404484 135066495 1 SO2F3N4C15H19 AB2C3D4E15F19 -185.5 4.88 -9.06 -1.54 0
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404485 135066543 1 O8C27H40 A8B27C40 -339.46 9.83 -9.46 0.0 0
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404486 135066544 2 OH7C8 AB7C8 -19.56 4.51 -8.84 -0.97 0
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404487 135066545 2 OC6H7 AB6C7 -62.21 5.35 -8.88 -0.67 0
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404488 135066546 1 IPO2H16C19 ABC2D16E19 -34.32 3.75 -9.33 -0.8 0
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404489 135066547 1 NSiO5C27H47 ABC5D27E47 -255.62 1.67 -8.77 0.4 0
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404490 135066548 1 ClNPO2C19H25 ABCD2E19F25 -114.01 5.09 -9.09 -0.07 0
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404491 135066549 1 PSnO2C15H19 ABC2D15E19 -72.26 2.69 -9.52 -0.17 0
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404492 135066550 1 NO2C20H25 AB2C20D25 -87.12 2.92 -8.7 -0.34 0