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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223610 85335305 1 ClN3O5H22C23 AB3C5D22E23 -80.65 6.49 -9.41 -0.55 0
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223611 85335306 1 SCl2N3O4C19H19 AB2C3D4E19F19 -73.27 3.81 -8.67 -1.42 0
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223612 85335307 1 Cl2N3O3C22H31 A2B3C3D22E31 -146.78 1.94 -9.28 -0.44 0
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223613 85335308 2 NO2C14H14 AB2C14D14 -95.69 6.81 -9.38 -0.88 0
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223614 85335310 1 SF2N3O6C19H21 AB2C3D6E19F21 -241.31 6.21 -9.48 -1.18 0
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223615 85335311 1 SF2N5O5C18H21 AB2C5D5E18F21 -191.71 4.44 -9.33 -1.31 0
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223616 85335312 1 N3O7C23H27 A3B7C23D27 -271.49 6.14 -8.38 -0.52 0
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223617 85335313 1 NF3O5C23H30 AB3C5D23E30 -368.42 6.81 -9.7 -0.52 0
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223618 85335316 1 SF2O5N6C17H20 AB2C5D6E17F20 -170.55 4.77 -9.35 -1.45 0
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223619 85335318 1 FSO3N4C23H27 ABC3D4E23F27 -90.58 3.31 -8.55 -0.32 0
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223620 85335320 1 ClPO7C18H20 ABC7D18E20 -202.67 4.64 -8.35 -0.73 0
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223621 85335321 1 NO5C28H29 AB5C28D29 -117.34 3.78 -8.93 -0.27 0
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223622 85335323 1 NO4C29H33 AB4C29D33 -107.32 1.25 -8.79 -0.06 0
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223623 85335324 1 SO5N6C20H24 AB5C6D20E24 -68.76 6.2 -9.57 -1.04 0
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223624 85335325 1 FN2O3C28H29 AB2C3D28E29 -86.49 2.46 -8.79 -0.43 0
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223626 85335328 1 NO5C28H31 AB5C28D31 -147.05 3.57 -8.82 -0.67 0
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223627 85335330 1 ClN2O2C28H31 AB2C2D28E31 -54.81 6.26 -8.18 -0.36 0
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223628 85335332 1 N7C28H29 A7B28C29 150.05 7.16 -8.72 -1.2 0
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223629 85335333 1 ClF2N3O5H16C21 AB2C3D5E16F21 -147.13 3.09 -9.73 -0.96 0
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223630 85335336 1 N3O3F4C23H23 A3B3C4D23E23 -286.67 4.9 -9.45 -0.59 0
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223631 85335337 1 FSN3O5C22H28 ABC3D5E22F28 -178.69 4.17 -9.59 -0.9 0
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223632 85335339 1 OSN5H23C27 ABC5D23E27 118.75 5.04 -8.66 -0.84 0
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223633 85335341 1 PN3O5C22H48 AB3C5D22E48 -356.62 12.04 -8.76 0.3 1
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223634 85335342 1 PN3O5C22H49 AB3C5D22E49 -337.78 4.32 0.0 0.0 0
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223636 85335344 1 N2F4O4H22C23 A2B4C4D22E23 -321.02 2.69 -9.54 -0.58 0