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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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127983 51025531 12 O3C4H5 A3B4C5 -1406.48 15.56 -9.62 -0.43 -1
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127984 51025588 1 NO3C14H18 AB3C14D18 -62.62 3.11 0.0 0.0 0
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127985 51025617 2 OC5H9 AB5C9 -107.29 3.74 -9.91 2.39 0
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127986 51025656 2 ON2C10H13 AB2C10D13 -31.34 4.51 -8.87 -0.12 -2
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127987 51025657 1 BrNO5H12C16 ABC5D12E16 -66.65 6.51 -9.74 -2.33 -2
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127988 51025658 1 BrNO5H12C16 ABC5D12E16 -58.1 2.3 -9.65 -1.97 1
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127989 51025659 1 NO4C17H22 AB4C17D22 -101.04 6.47 0.0 0.0 0
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127990 51025660 1 NO4C17H21 AB4C17D21 -113.99 4.87 -9.2 0.02 1
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127991 51025672 1 N2O4C23H35 A2B4C23D35 -131.14 6.16 0.0 0.0 0
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127992 51025673 1 N2O3C23H28 A2B3C23D28 -43.68 5.17 -8.54 -0.16 0
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127993 51025674 1 ClN2O5H17C19 AB2C5D17E19 -158.06 4.22 -9.09 -0.39 -1
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127994 51025890 1 N2O4C16H23 A2B4C16D23 -135.25 5.69 0.0 0.0 -1
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127995 51025891 1 N2O4C16H23 A2B4C16D23 -163.98 4.09 0.0 0.0 -1
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127996 51025894 1 ClN2O4C22H24 AB2C4D22E24 -113.8 6.43 0.0 0.0 0
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127997 51026101 2 O4C16H21 A4B16C21 -347.55 5.64 -9.59 0.28 0
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127998 51026128 2 NO3H12C15 AB3C12D15 -92.8 3.41 -8.71 -0.56 -1
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127999 51026129 1 ClN2O4C21H22 AB2C4D21E22 -100.3 5.28 0.0 0.0 -1
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128000 51026130 1 ClN2O4C21H22 AB2C4D21E22 -97.37 1.0 0.0 0.0 0
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128001 51026131 1 N2O9C37H44 A2B9C37D44 -293.54 4.4 -8.07 -0.34 0
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128002 51026132 1 Cl2N2O3C18H18 A2B2C3D18E18 -124.86 8.17 -9.02 -0.52 0
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128003 51026133 2 O2C15H22 A2B15C22 -106.9 11.25 -9.26 -1.21 0
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128004 51026134 1 SN2F3O3C17H21 AB2C3D3E17F21 -273.14 6.76 -9.65 -0.82 0
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128005 51026135 1 SN2F3O3C17H21 AB2C3D3E17F21 -273.41 6.86 -9.62 -0.78 0
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128006 51026136 1 ClNO4H22C23 ABC4D22E23 -120.54 6.24 -9.17 -0.59 0
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128007 51026137 1 ClNO4H22C23 ABC4D22E23 -126.13 5.97 -9.19 -0.86 -1