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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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66201 46500422 1 N2S3O4C21H23 A2B3C4D21E23 -116.41 1.39 0.0 0.0 1
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66202 46500423 1 SN2H21C22 AB2C21D22 89.06 2.93 0.0 0.0 1
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66203 46500424 1 OSN2C17H19 ABC2D17E19 16.99 2.91 0.0 0.0 1
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66204 46500425 1 ON2S2C20H21 AB2C2D20E21 19.95 4.93 0.0 0.0 1
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66205 46500427 1 OSN2C23H25 ABC2D23E25 11.92 4.7 0.0 0.0 1
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66206 46500428 1 OSN2C23H25 ABC2D23E25 11.46 4.71 0.0 0.0 0
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66207 46500431 1 ClN2F3O4C23H24 AB2C3D4E23F24 -314.67 9.86 -9.66 -0.87 0
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66208 46500432 1 ClNO4C15H16 ABC4D15E16 -90.08 8.27 -9.2 -1.67 0
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66209 46500433 1 ClO2N3H18C21 AB2C3D18E21 -15.68 4.09 -8.28 -0.96 0
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66210 46500434 1 ClO2N4H17C21 AB2C4D17E21 2.47 8.74 -8.81 -1.15 0
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66211 46500435 1 NSO6H21C24 ABC6D21E24 -140.49 5.03 -8.44 -2.0 0
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66212 46500437 1 N2O2S2H10C17 A2B2C2D10E17 46.08 3.44 -8.86 -1.74 0
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66213 46500438 2 N2O2H6C7 A2B2C6D7 16.06 8.31 -9.61 -1.4 0
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66214 46500439 1 NSO5H21C22 ABC5D21E22 -118.8 3.05 -8.69 -1.32 0
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66215 46500440 1 NSO4H17C20 ABC4D17E20 -89.96 5.06 -8.96 -1.19 0
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66216 46500441 1 NOSCl2C12H13 ABCD2E12F13 -31.0 3.14 -8.98 -0.46 0
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66217 46500442 1 SO4N5H11C14 AB4C5D11E14 53.44 2.45 -10.27 -1.89 0
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66218 46500447 1 N4O5H18C24 A4B5C18D24 -9.24 2.21 -9.21 -1.82 0
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66219 46500448 1 ON3C20H27 AB3C20D27 6.86 5.24 -9.17 -0.3 0
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66220 46500450 1 NF3O3H18C20 AB3C3D18E20 -210.05 8.54 -8.84 -0.74 0
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66221 46500451 1 ClNO2F3H15C19 ABC2D3E15F19 -181.28 6.77 -9.19 -0.92 0
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66222 46500452 1 BrN2O2F3H16C20 AB2C2D3E16F20 -178.18 6.2 -9.03 -1.4 0
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66223 46500455 1 NO2F3C23H24 AB2C3D23E24 -197.43 7.15 -8.99 -0.89 0
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66224 46500457 1 NO2F3H18C20 AB2C3D18E20 -180.37 7.81 -9.03 -0.79 0
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66225 46500460 1 BrNO2F3H21C22 ABC2D3E21F22 -184.05 8.26 -9.03 -1.16 0
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66226 46500461 1 BrNO2F3H15C19 ABC2D3E15F19 -169.78 7.7 -9.06 -1.32 0
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66227 46500462 1 BrN2O2F3C19H20 AB2C2D3E19F20 -212.82 5.79 -9.57 -1.44 0
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66228 46500463 1 BrN2F3O3H14C19 AB2C3D3E14F19 -200.19 6.24 -8.77 -1.46 0
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66229 46500464 1 BrNF3O3H17C20 ABC3D3E17F20 -202.12 6.56 -9.13 -1.01 0
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66230 46500465 1 N2O2F3H17C20 A2B2C3D17E20 -184.0 4.64 -9.21 -1.11 0
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66231 46500466 1 BrN2O2F4H11C18 AB2C2D4E11F18 -201.38 8.18 -9.49 -1.27 0
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66232 46500469 1 NO2F3H18C20 AB2C3D18E20 -182.76 7.83 -8.98 -0.8 0
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66233 46500471 1 NO2F3H20C21 AB2C3D20E21 -189.65 8.96 -8.94 -0.76 0
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66234 46500472 1 NF3O3H20C21 AB3C3D20E21 -217.04 7.37 -8.72 -0.71 0
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66235 46500473 1 BrNF3O3H15C19 ABC3D3E15F19 -197.18 7.84 -9.14 -1.14 0
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66236 46500478 1 FO2N4C17H25 AB2C4D17E25 -33.48 7.62 -8.69 -0.75 0
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66237 46500479 1 FO2N5C17H26 AB2C5D17E26 -20.28 7.44 -8.89 -0.96 0
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66238 46500480 1 FO2N4C17H25 AB2C4D17E25 -38.51 8.08 -8.56 -0.74 0
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66239 46500482 1 BrO2N3H20C23 AB2C3D20E23 1.43 7.44 -8.79 -0.86 0
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66240 46500483 1 BrO2N3H22C24 AB2C3D22E24 3.84 8.83 -8.41 -0.54 0
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66241 46500486 1 ClSN2O6H13C17 ABC2D6E13F17 -169.24 5.64 -9.35 -1.49 0
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66242 46500489 1 NOF3H10C15 ABC3D10E15 -104.02 2.28 -8.82 -1.42 0
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66243 46500618 2 NOC11H11 ABC11D11 -16.26 4.39 -7.9 -1.51 0
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66244 46500619 1 O2N3C22H23 A2B3C22D23 3.73 2.08 -8.12 -1.58 0
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66245 46500621 1 N3O3C23H25 A3B3C23D25 -34.01 0.7 -7.9 -1.57 0
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66246 46500624 1 ClN2O2H17C20 AB2C2D17E20 -8.75 5.49 -8.23 -1.7 0
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66247 46500625 1 ClO2N3H20C21 AB2C3D20E21 4.63 4.06 -8.5 -1.81 0
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66248 46500626 1 ClO2N3H20C21 AB2C3D20E21 3.48 4.31 -8.48 -1.85 0
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66249 46500627 1 F2O2N3H19C21 A2B2C3D19E21 -80.39 5.51 -8.51 -1.81 0
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66250 46501019 1 SN3O10C21H23 AB3C10D21E23 -244.67 4.88 -9.42 -2.33 0
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66251 46501170 1 SN2Cl3F3H8C16 AB2C3D3E8F16 -100.73 4.56 -9.1 -1.49 0
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66252 46501171 1 Cl2O3N4C20H20 A2B3C4D20E20 -85.41 3.79 -9.04 -1.1 0
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66253 46501176 1 O2N4C17H18 A2B4C17D18 -11.21 9.62 -8.88 -0.59 0
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66254 46501178 1 O2N4C17H18 A2B4C17D18 -11.63 8.27 -9.04 -0.51 0
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66255 46501187 1 ClN5O5H18C19 AB5C5D18E19 -72.97 2.85 -9.17 -1.55 0
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66256 46501191 1 SCl2N2O2H20C23 AB2C2D2E20F23 2.07 4.2 -8.96 -0.52 0
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66257 46501204 1 ClSN3O4H28C30 ABC3D4E28F30 -48.87 3.59 -8.52 -0.58 0
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66258 46501205 1 O2N5C16H17 A2B5C16D17 9.43 5.62 -9.44 -0.83 0
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66259 46501209 1 ClSN2O2C22H27 ABC2D2E22F27 -30.88 3.43 -8.78 -0.97 0
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66260 46501212 1 O2N3C14H19 A2B3C14D19 -35.13 4.57 -8.83 -0.14 0
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66261 46501216 1 ClN4O4H17C21 AB4C4D17E21 -7.59 3.79 -8.77 -1.86 0
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66262 46501230 1 N3O4C24H31 A3B4C24D31 -100.63 4.8 -8.56 -0.73 0
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66263 46501231 1 N4O5C22H26 A4B5C22D26 -135.14 2.11 -8.77 -0.94 0
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66264 46501233 1 N4O4C15H20 A4B4C15D20 -73.16 4.39 -9.55 -1.59 0
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66265 46501234 2 NOC13H19 ABC13D19 -66.31 4.69 -8.61 -0.02 0
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66266 46501237 1 BrN3O4H26C31 AB3C4D26E31 -5.42 4.16 -8.58 -0.6 0
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66267 46501239 1 N3O3C31H53 A3B3C31D53 -186.69 2.67 -9.36 -0.7 0
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66268 46501240 1 FN2O2C25H33 AB2C2D25E33 -133.39 3.38 -9.22 -0.83 0
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66269 46501241 1 BrN2O2C26H35 AB2C2D26E35 -83.21 4.35 -9.14 -0.97 0
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66270 46501242 1 ClN2O2C25H33 AB2C2D25E33 -95.32 5.19 -9.23 -0.97 0
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66271 46501245 1 N2O2C27H38 A2B2C27D38 -100.44 4.1 -9.16 -0.42 0
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66272 46501247 2 NOC12H19 ABC12D19 -114.08 6.58 -9.01 -0.29 0
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66273 46501248 1 BrNSO3C32H48 ABCD3E32F48 -149.76 6.11 -9.96 -1.13 0
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66274 46501255 2 ClINOH8C13 ABCDE8F13 72.46 7.67 -8.75 -1.77 0
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66275 46501256 1 ClIN2O2H14C21 ABC2D2E14F21 38.88 7.18 -8.67 -1.65 0