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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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223476 85335098 1 N5H21C24 A5B21C24 138.19 9.11 -8.91 -1.08 0
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223477 85335099 1 N5H21C24 A5B21C24 138.88 2.83 -8.98 -1.2 0
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223478 85335100 1 ON5C22H35 AB5C22D35 3.78 4.24 -8.75 -0.02 0
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223479 85335102 1 N2O2H20C25 A2B2C20D25 50.95 4.14 -7.85 -0.72 0
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223480 85335103 1 N6H20C23 A6B20C23 149.04 9.27 -8.91 -1.1 0
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223481 85335105 1 ON6C21H34 AB6C21D34 7.85 5.32 -8.43 0.56 0
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223482 85335107 1 NCl3O4C15H16 AB3C4D15E16 -189.53 3.24 -9.83 -0.8 0
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223483 85335109 1 NCl3O4C15H16 AB3C4D15E16 -190.17 4.26 -10.13 -1.08 0
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223484 85335110 1 SCl2N2O3C15H22 AB2C2D3E15F22 -131.9 4.55 -9.04 -1.35 0
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223485 85335111 1 ClO2N4C19H31 AB2C4D19E31 -99.27 4.33 -8.5 -1.27 0
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223486 85335112 1 Cl2O2N6C15H22 A2B2C6D15E22 -26.85 4.56 -9.06 -0.64 0
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223487 85335113 1 NO6C21H21 AB6C21D21 -159.74 4.02 -9.05 -0.17 0
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223488 85335115 1 O2N5C21H33 A2B5C21D33 -47.42 3.21 -9.05 0.03 0
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223489 85335116 1 Cl2N2O3C18H22 A2B2C3D18E22 -73.49 2.2 -8.87 -0.42 0
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223490 85335117 1 NCl2O3C19H25 AB2C3D19E25 -159.59 4.64 -9.54 -0.55 0
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223491 85335118 1 N6C23H30 A6B23C30 86.71 4.84 -8.54 -0.18 0
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223492 85335120 1 NO4C23H33 AB4C23D33 -185.79 5.64 -9.34 -0.1 0
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223493 85335121 1 ClNO4C21H22 ABC4D21E22 -147.85 1.95 -9.52 0.11 0
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223494 85335123 1 ClSN4O4C15H21 ABC4D4E15F21 -59.99 7.48 -8.9 -2.3 0
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223495 85335124 1 SO4N5C17H19 AB4C5D17E19 -37.93 3.86 -9.07 -1.3 0
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223496 85335125 1 SO4N5C17H19 AB4C5D17E19 -35.84 3.94 -9.12 -1.48 0
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223497 85335127 1 NO5H21C23 AB5C21D23 -103.2 2.88 -8.98 -0.56 0
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223498 85335129 1 NO2C26H33 AB2C26D33 -89.92 4.07 -8.7 -1.17 0
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223499 85335130 1 ClON5C21H22 ABC5D21E22 56.26 2.7 -8.86 -0.63 0
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223500 85335131 1 NSCl2F3O5C10H18 ABC2D3E5F10G18 -413.34 2.35 -9.6 -1.1 0
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223501 85335132 1 ClO5N6C14H25 AB5C6D14E25 -219.91 6.54 -9.39 -0.22 0
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223502 85335133 1 O2N5C22H27 A2B5C22D27 -19.68 3.19 -8.82 -0.09 0
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223503 85335135 1 N4O4H20C21 A4B4C20D21 -14.19 9.39 -9.22 -2.19 0
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223504 85335137 2 NF2C11H13 AB2C11D13 -170.86 3.56 -9.26 -0.49 0
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223505 85335138 1 O2N4C23H30 A2B4C23D30 -33.6 10.75 -8.72 -1.07 0
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223506 85335139 1 N3O4C22H25 A3B4C22D25 -100.03 4.77 -9.16 -0.64 0
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223507 85335140 1 O2N5C22H29 A2B5C22D29 -36.99 3.28 -8.7 -0.7 0
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223508 85335141 1 NO3C24H45 AB3C24D45 -191.31 0.87 -9.48 0.86 1
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223509 85335143 1 O4N6C19H21 A4B6C19D21 -68.55 6.56 0.0 0.0 0
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223511 85335148 1 NO5C23H29 AB5C23D29 -177.4 4.29 -8.71 -0.04 0
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223512 85335152 1 ClO5H21C22 AB5C21D22 -140.02 6.65 -8.82 -1.33 0
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223513 85335153 1 BrOSN4C17H21 ABCD4E17F21 -13.83 5.25 -8.73 -0.82 0
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223514 85335154 1 OSN4C17H20 ABC4D17E20 4.95 5.4 -8.64 -0.71 0
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223515 85335155 1 NSF3O4C18H18 ABC3D4E18F18 -265.4 1.77 -8.76 -0.61 0
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223516 85335157 1 SN2O3C22H30 AB2C3D22E30 -100.64 7.62 -8.76 -0.88 0
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223517 85335159 1 ON5C24H33 AB5C24D33 -9.06 4.5 -7.8 -0.27 0
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223518 85335161 1 O8C21H24 A8B21C24 -294.31 7.18 -8.86 -0.64 0
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223519 85335163 1 SN2O3C22H32 AB2C3D22E32 -115.98 5.39 -8.72 -0.97 0
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223521 85335172 1 N2S2O4C19H24 A2B2C4D19E24 -159.54 6.52 -8.32 -0.98 0
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223522 85335173 1 Cl2O2N4C19H26 A2B2C4D19E26 -52.32 5.07 -9.22 -0.65 0
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223523 85335174 1 OSF3N3C20H22 ABC3D3E20F22 -140.95 6.36 -9.54 -1.01 0
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223524 85335175 1 Cl2O2N5C18H27 A2B2C5D18E27 -38.37 3.04 -8.56 -0.75 0
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223526 85335178 1 SCl2O2N4C17H18 AB2C2D4E17F18 -22.12 5.31 -8.83 -1.36 0
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223527 85335181 1 NO6C23H27 AB6C23D27 -200.91 3.43 -8.98 -0.87 0
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223528 85335182 1 O3N5C22H33 A3B5C22D33 -108.85 4.92 -8.92 -0.11 0
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223529 85335183 1 F3O3N4C19H25 A3B3C4D19E25 -212.72 8.98 -9.51 -0.85 0
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223530 85335186 1 OCl2N6H18C19 AB2C6D18E19 49.69 4.9 -9.12 -1.06 0
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223531 85335189 1 OCl2N7H13C18 AB2C7D13E18 115.56 4.3 -9.32 -1.83 0
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223532 85335190 1 SN2F3O3H19C20 AB2C3D3E19F20 -233.87 3.47 -8.86 -0.96 0
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223533 85335191 1 N4O4H20C23 A4B4C20D23 27.47 2.07 -9.33 -0.79 0
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223534 85335194 1 SO2N4H20C23 AB2C4D20E23 113.74 7.59 -9.26 -1.42 0
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223535 85335195 1 S2O5C20H32 A2B5C20D32 -240.53 5.66 -9.09 -0.22 0
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223537 85335199 1 NO3F6H13C19 AB3C6D13E19 -373.7 4.69 -8.48 -1.43 0
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223539 85335201 3 NOC8H13 ABC8D13 -167.25 6.85 -8.32 0.27 0
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223540 85335202 1 OF3N4C22H25 AB3C4D22E25 -143.12 6.29 -9.46 -0.8 0
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223541 85335205 1 N3O4C24H25 A3B4C24D25 -48.3 2.95 -9.24 -0.79 0
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223542 85335208 1 F3N3O4H18C20 A3B3C4D18E20 -241.94 12.21 -9.04 -0.98 0
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223543 85335209 1 ClN3O4C21H28 AB3C4D21E28 -133.81 4.24 -9.39 -0.41 0
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223544 85335210 1 ClSN3O3C20H24 ABC3D3E20F24 -96.53 5.13 -9.64 -1.18 0
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223545 85335213 1 O3N6C22H24 A3B6C22D24 26.48 2.09 -8.28 -2.44 0
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223546 85335214 1 O2N4C25H34 A2B4C25D34 -28.24 5.27 -8.9 -1.35 0
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223547 85335215 1 ON6C24H34 AB6C24D34 27.33 4.6 -8.71 -0.9 0
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223548 85335217 1 NSO7C20H25 ABC7D20E25 -269.99 3.39 -8.88 -0.38 0
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223549 85335218 1 N3O4C24H31 A3B4C24D31 -141.01 4.08 -8.57 -0.02 0
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223550 85335219 1 BrPN5O7C10H11 ABC5D7E10F11 -240.63 3.98 -9.32 -1.32 0
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223551 85335220 1 Cl2O2N5C19H27 A2B2C5D19E27 -45.46 2.65 -9.11 -0.87 0
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223552 85335221 1 FSO4N6C17H21 ABC4D6E17F21 -103.97 3.14 -9.39 -1.39 0
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223553 85335223 1 OSF3N4C20H23 ABC3D4E20F23 -139.66 5.12 -9.22 -1.01 0
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223554 85335224 1 O2N6C23H32 A2B6C23D32 -3.04 2.76 -8.63 -1.37 0
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223556 85335226 1 ClN3O5C20H28 AB3C5D20E28 -197.43 3.99 -9.28 -0.18 0