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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194545 78553252 2 NSO2C9H11 ABC2D9E11 -136.69 3.36 -8.78 -1.34 0
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194546 78553253 1 NSF2O5C19H19 ABC2D5E19F19 -273.93 4.72 -9.94 -1.16 0
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194547 78553489 1 NO3H17C20 AB3C17D20 -29.76 4.58 -9.06 -0.81 0
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194548 78553670 1 ClN2O4H17C18 AB2C4D17E18 -102.86 8.79 -9.26 -1.1 0
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194549 78553817 1 NO4C24H29 AB4C24D29 -141.85 8.04 -8.85 -0.96 0
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194550 78554149 1 NSO7C18H23 ABC7D18E23 -291.36 2.65 -8.62 -1.48 0
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194551 78554438 1 SN2O4H20C21 AB2C4D20E21 -76.45 4.63 -8.52 -1.42 0
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194552 78554439 1 NO4C16H21 AB4C16D21 -144.95 2.14 -9.36 -0.95 0
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194553 78554705 1 Cl2N2O5H12C17 A2B2C5D12E17 -86.3 3.88 -9.53 -2.17 0
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194554 78555100 1 NO4C24H31 AB4C24D31 -156.66 2.19 -9.06 -0.02 0
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194555 78555122 1 NO5C23H31 AB5C23D31 -212.35 1.54 -8.83 -0.28 0
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194556 78555412 1 SO2N4C21H24 AB2C4D21E24 26.57 6.39 -8.85 -0.76 0
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194557 78555671 1 N2O3C25H26 A2B3C25D26 -85.25 3.48 -8.62 -0.73 0
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194558 78555870 1 NSO4H21C22 ABC4D21E22 -102.23 4.45 -8.33 -1.15 0
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194559 78556321 2 NO2H9C10 AB2C9D10 -39.11 4.73 -9.09 -0.92 0
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194560 78556438 1 O5H18C22 A5B18C22 -109.29 3.5 -8.85 -0.38 0
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194561 78556439 1 N2O7H18C19 A2B7C18D19 -152.98 3.6 -8.88 -1.38 0
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194562 78556440 1 ClNO5H18C19 ABC5D18E19 -151.6 10.13 -8.36 -1.18 0
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194563 78556875 1 O2S2N3C21H23 A2B2C3D21E23 13.82 3.43 -8.12 -0.89 0
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194564 78556876 1 NO4C14H17 AB4C14D17 -138.2 3.87 -8.75 -0.04 0
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194565 78556882 1 FNO3C13H14 ABC3D13E14 -142.58 5.4 -9.03 -0.3 0
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194566 78556994 1 FNO4H16C17 ABC4D16E17 -170.19 5.38 -8.69 -1.21 0
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194567 78557848 1 NSO5C14H17 ABC5D14E17 -201.28 3.68 -9.91 -0.51 0
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194568 78558068 1 N4O5C19H24 A4B5C19D24 -108.85 10.55 -9.36 -0.67 0
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194569 78558092 1 N5O5C17H17 A5B5C17D17 -54.2 3.07 -9.78 -1.01 0
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194570 78558093 1 N4O5C19H22 A4B5C19D22 -93.4 9.84 -9.13 -0.59 0
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194571 78558094 1 N3O5C18H21 A3B5C18D21 -98.99 5.64 -9.31 -0.87 0
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194572 78558095 1 N3O5C17H19 A3B5C17D19 -89.19 10.64 -10.06 -0.95 0
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194573 78558096 1 N4O6C17H20 A4B6C17D20 -127.78 4.85 -8.74 -1.0 0
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194574 78558097 1 N4O5C16H18 A4B5C16D18 -89.08 3.81 -9.16 -1.04 0
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194575 78558098 1 N4O6C15H18 A4B6C15D18 -121.6 6.27 -9.82 -0.72 0
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194576 78558361 1 N3O5C18H21 A3B5C18D21 -193.31 4.69 -8.45 -0.12 0
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194577 78558362 2 NO2C12H12 AB2C12D12 -121.0 7.24 -8.34 -0.66 0
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194578 78558471 1 NO4C21H21 AB4C21D21 -125.86 2.71 -8.79 -0.47 0
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194579 78558511 1 Cl2O3N4H12C16 A2B3C4D12E16 -23.6 1.92 -9.76 -1.83 0
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194580 78558512 1 O3N4C24H30 A3B4C24D30 -83.54 8.17 -9.25 -0.88 0
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194581 78558657 1 NCl2O4C19H19 AB2C4D19E19 -152.9 5.38 -8.97 -0.76 0
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194582 78558658 1 NCl2O4H19C20 AB2C4D19E20 -134.12 4.33 -8.88 -0.67 0
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194583 78558722 1 FNCl3O3H11C16 ABC3D3E11F16 -151.66 2.75 -9.33 -1.53 0
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194584 78558723 1 NCl2O3H17C22 AB2C3D17E22 -69.59 2.46 -8.94 -1.44 1
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194585 78558778 1 Cl2N2O3C15H21 A2B2C3D15E21 -100.54 5.52 0.0 0.0 0
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194586 78559073 1 SN3O3C23H31 AB3C3D23E31 -121.08 3.75 -8.44 -0.52 0
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194587 78559223 1 SO3N5C19H21 AB3C5D19E21 -10.35 2.93 -8.3 -1.7 0
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194588 78559224 1 OSN4C14H24 ABC4D14E24 -35.24 6.43 -8.99 -0.4 0
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194589 78559225 2 NOSC9H12 ABCD9E12 -71.67 2.88 -8.42 -0.92 0
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194590 78559226 1 OSN4C18H24 ABC4D18E24 2.95 5.53 -8.9 -0.35 0
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194591 78559227 1 OS2N4C15H20 AB2C4D15E20 9.62 6.03 -8.9 -0.36 0
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194592 78559228 1 OSF2N4C17H20 ABC2D4E17F20 -87.91 6.14 -8.89 -0.39 0
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194593 78559229 2 OSN2C10H13 ABC2D10E13 -50.68 4.6 -8.73 -1.22 0
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194594 78559230 1 OS2N5C19H23 AB2C5D19E23 27.04 3.03 -9.0 -0.75 0