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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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186402 77427115 1 ClNO3C18H26 ABC3D18E26 -136.79 4.97 -9.24 -0.38 0
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186403 77427307 1 BrOSN3C19H20 ABCD3E19F20 33.49 3.21 -9.07 -0.37 0
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186404 77427308 1 OSN5C17H21 ABC5D17E21 28.17 4.18 -9.24 -0.91 0
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186405 77427309 1 FOSN4H15C18 ABCD4E15F18 29.93 4.43 -9.18 -1.06 0
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186406 77427310 1 O2N4H26C27 A2B4C26D27 31.31 6.16 -9.2 -0.12 0
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186407 77427449 1 FO2N8C32H43 AB2C8D32E43 -30.37 9.99 -8.56 -0.24 0
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186408 77427553 1 BrSCl2N3O3H16C21 ABC2D3E3F16G21 -53.26 7.64 -8.9 -1.35 0
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186409 77427554 1 ClSN3O4C24H24 ABC3D4E24F24 -114.23 4.62 -8.76 -1.3 1
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186410 77427555 1 NO4C21H28 AB4C21D28 -115.21 5.58 0.0 0.0 0
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186411 77427583 1 BrC26H45 AB26C45 -81.14 2.62 -10.07 0.15 0
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186412 77428302 1 IN4O4C31H43 AB4C4D31E43 -158.96 3.56 -8.88 -0.95 0
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186413 77428364 1 OC8H16 AB8C16 -75.26 2.21 -9.34 2.48 0
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186414 77428453 1 FN5O7C22H22 AB5C7D22E22 -239.71 2.68 -8.84 -1.18 0
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186415 77428454 1 FO6N7H18C21 AB6C7D18E21 -152.58 3.5 -9.47 -1.62 0
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186416 77428899 1 ClFO2N4C21H22 ABC2D4E21F22 -92.38 2.02 -8.55 -0.38 0
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186417 77429188 1 NO8C42H67 AB8C42D67 -376.09 6.05 -9.2 0.73 0
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186418 77429207 1 O2F3N6C21H23 A2B3C6D21E23 -183.93 2.55 -8.39 -0.92 0
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186419 77429208 1 O2F3N6C21H23 A2B3C6D21E23 -183.41 2.41 -8.33 -0.82 0
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186420 77429538 1 ClS2N3O6C25H28 AB2C3D6E25F28 -208.93 7.76 -8.86 -0.51 0
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186421 77429702 1 NO4C16H21 AB4C16D21 -174.48 4.31 -9.43 -0.07 0
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186422 77429854 1 BrN2S2O4H13C16 AB2C2D4E13F16 -72.69 7.45 -9.33 -1.8 0
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186423 77429866 1 O2F3N4C25H29 A2B3C4D25E29 -166.73 11.13 -9.57 -0.65 0
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186424 77430086 1 IO3N4C37H43 AB3C4D37E43 -51.12 5.89 -9.12 -1.0 0
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186425 77430411 1 FSN7C20H20 ABC7D20E20 63.55 2.07 -8.69 -0.84 0
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186426 77430491 1 N3O4C22H35 A3B4C22D35 -189.89 5.83 -9.09 0.78 0
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186427 77430636 1 N2O3C30H34 A2B3C30D34 -77.17 7.73 -9.21 -0.55 0
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186428 77430671 1 O2F3C17H19 A2B3C17D19 -243.79 5.26 -9.23 -0.14 0
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186429 77431307 1 SO3N4C26H36 AB3C4D26E36 -82.18 8.44 -8.87 -0.18 0
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186430 77432099 2 FON2C12H13 ABC2D12E13 -121.49 8.65 -8.88 -0.7 0
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186431 77432100 1 F2N7C20H23 A2B7C20D23 -6.08 6.17 -8.7 -0.73 0
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186432 77432101 1 OF2N5C19H21 AB2C5D19E21 -66.47 4.04 -8.87 -0.62 0
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186433 77432102 1 F2O2N5C23H25 A2B2C5D23E25 -101.27 7.85 -9.17 -0.79 0
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186434 77432171 1 BrNOC13H18 ABCD13E18 -14.15 2.94 -9.51 -0.57 0
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186435 77432345 1 O2N4C15H18 A2B4C15D18 -47.06 1.6 -9.36 -1.09 0
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186436 77432348 1 BrO2N3H6C8 AB2C3D6E8 -7.98 2.2 -10.3 -2.12 0
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186437 77432391 1 ION3C24H34 ABC3D24E34 13.88 4.16 -8.77 -1.04 0
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186438 77432483 1 SN3O4C25H33 AB3C4D25E33 -147.9 6.65 -9.24 -0.44 0
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186439 77432870 1 NO3H19C20 AB3C19D20 -54.31 5.41 -8.54 -0.25 0
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186440 77433897 1 BrClOH12C15 ABCD12E15 -0.35 3.65 -8.98 -0.46 0
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186441 77434128 2 ON2C12H24 AB2C12D24 -160.91 2.86 -8.72 1.11 0
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186442 77434129 1 N2O2C11H24 A2B2C11D24 -135.79 1.64 -9.46 2.31 0
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186443 77434484 1 O2F3H7C10 A2B3C7D10 -177.99 2.44 -9.67 -1.21 0
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186444 77434485 1 BFO2C11H11 ABC2D11E11 -87.45 5.52 0.0 0.0 0
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186445 77434486 1 FO3C13H13 AB3C13D13 -141.28 6.31 -9.64 -0.64 0
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186446 77434487 1 N2O4C31H52 A2B4C31D52 -223.58 3.14 -8.68 0.12 0
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186447 77434488 1 SN2O5C19H28 AB2C5D19E28 -227.87 4.93 -9.11 0.08 0
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186448 77434761 1 N2O3C19H28 A2B3C19D28 -136.69 2.65 -9.64 -0.74 0
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186449 77434762 1 BrN2O3C28H35 AB2C3D28E35 -99.15 3.54 -9.66 -1.05 0
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186450 77434763 2 ClON4C17H23 ABC4D17E23 -11.97 5.23 -8.55 -1.3 0
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186451 77434973 1 BrO2N3C21H26 AB2C3D21E26 -71.09 1.95 -8.88 -0.55 0