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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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163588 58053249 1 N5O5H19C27 A5B5C19D27 -41.37 7.8 -9.39 -1.57 0
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163589 58053705 1 BrNO2H8C9 ABC2D8E9 -43.57 6.66 -9.12 -0.79 0
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163590 58054594 1 F2N3O3C21H31 A2B3C3D21E31 -237.78 2.85 -9.55 0.04 0
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163591 58062982 1 N2O2F6C21H26 A2B2C6D21E26 -388.93 6.22 -9.02 -1.35 0
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163592 58063018 1 FON5C20H22 ABC5D20E22 -15.09 8.16 -9.12 -1.08 0
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163593 58073919 2 OH4C5 AB4C5 -42.04 5.74 -9.64 -1.21 0
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163594 58084144 8 SH3C4 AB3C4 210.77 3.3 -7.85 -1.01 0
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163595 58085314 1 O4C13H14 A4B13C14 -136.04 5.18 -9.61 -0.39 0
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163596 58086666 1 BrON2H13C15 ABC2D13E15 36.29 2.85 -9.04 -0.46 0
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163598 58097295 1 OS2N3H21C22 AB2C3D21E22 68.83 3.08 -8.85 -0.93 0
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163599 58097296 1 BrOSN3C14H14 ABCD3E14F14 48.03 2.46 -8.67 -1.03 0
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163600 58097298 1 ON3C11H17 AB3C11D17 2.26 2.72 -9.02 -0.23 0
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163601 58097536 1 SO4C17H36 AB4C17D36 -258.66 2.74 -10.42 0.01 0
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163603 58097730 1 N4H20C23 A4B20C23 187.97 1.57 -7.93 -1.56 0
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163604 58097771 1 OSiH24C26 ABC24D26 22.68 1.94 -9.34 -0.15 0
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163605 58097849 1 SN3O4C12H15 AB3C4D12E15 -80.01 4.85 -9.44 -0.91 -2
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163607 58097869 1 FPN6O8C24H28 ABC6D8E24F28 -357.27 5.99 -8.2 -1.14 0
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163610 58097889 1 BrNOC15H16 ABCD15E16 5.3 2.5 -9.36 -0.25 0
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163612 58097986 1 SN4C16H22 AB4C16D22 70.03 5.1 -8.4 -0.63 0
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163613 58097987 1 FN3O3H32C33 AB3C3D32E33 -50.04 5.52 -8.64 -1.49 0
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163614 58097988 1 FN3O3H24C26 AB3C3D24E26 -22.6 6.97 -8.79 -1.5 0
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163615 58097989 1 SO2N4C29H36 AB2C4D29E36 -7.33 7.82 -8.22 -0.57 0
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163616 58097991 1 SO2N4C33H34 AB2C4D33E34 25.82 5.39 -8.46 -1.37 0
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163617 58098110 1 SO2N4C25H30 AB2C4D25E30 6.61 5.31 -8.39 -0.63 0
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163619 58098219 1 ClOC12H13 ABC12D13 -48.36 2.13 -9.28 -0.21 0
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163620 58098229 2 NC5H7 AB5C7 111.65 1.97 -8.83 -0.12 0
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163622 58098231 1 NO3C12H23 AB3C12D23 -185.97 1.78 -9.79 0.96 0
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163624 58106354 1 N2H22C29 A2B22C29 121.75 4.6 -8.53 -0.49 0
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163626 58106396 1 N2H24C39 A2B24C39 182.19 4.05 -8.4 -1.18 0
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163627 58106408 1 N2H32C51 A2B32C51 233.68 4.42 -8.34 -1.23 0
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163628 58106414 1 N2H24C35 A2B24C35 145.51 3.98 -8.21 -1.39 0
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163629 58106423 1 N3H21C34 A3B21C34 180.18 4.89 -8.48 -1.28 0
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163630 58106430 1 NOBr2H15C20 ABC2D15E20 32.3 3.33 -9.38 -0.78 0
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163631 58106431 2 N2H10C15 A2B10C15 166.96 5.04 -8.58 -1.12 0
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163632 58106433 1 AuNH16C29 ABC16D29 509.57 8.26 -8.74 -2.71 0
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163634 58106463 1 OS2H32C34 AB2C32D34 68.67 2.16 -8.25 -1.32 0
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163635 58106478 2 SH10C19 AB10C19 254.73 0.09 -7.7 -2.36 0
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163636 58106480 2 FSH11C21 ABC11D21 124.85 1.51 -8.56 -1.26 0
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163638 58106484 2 OSH20C25 ABC20D25 94.5 0.62 -8.11 -0.97 0
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163639 58106490 2 SH6C10 AB6C10 164.84 1.62 -7.68 -2.28 0
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163640 58106498 1 SH14C26 AB14C26 156.43 0.33 -8.43 -1.53 0
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163643 58106509 1 SF4H10C26 AB4C10D26 -20.29 4.46 -8.73 -2.02 0
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163644 58106522 2 SH8C15 AB8C15 222.38 1.84 -7.7 -2.34 0
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163646 58106528 1 S2H22C37 A2B22C37 203.31 0.96 -8.24 -1.63 0
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163647 58106529 1 O2S2C39H42 A2B2C39D42 9.65 2.24 -8.12 -1.22 0
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163648 58106532 2 SH10C19 AB10C19 256.28 0.19 -7.73 -2.34 0
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163649 58106533 2 S2H10C19 A2B10C19 241.93 0.18 -8.22 -1.79 0
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163650 58106536 1 O2S2C33H38 A2B2C33D38 -16.01 1.93 -8.28 -1.29 0
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163651 58106538 1 SH20C29 AB20C29 126.36 0.55 -8.21 -1.39 0
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163652 58106541 2 SH10C16 AB10C16 202.04 0.28 -7.62 -2.24 0