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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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59442 24870052 1 ClS3N5H8C14 AB3C5D8E14 182.14 1.27 -9.19 -1.74 -1
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59443 24870684 1 O11C40H67 A11B40C67 -564.83 4.47 0.0 0.0 0
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59444 24870691 2 NSO2C7H8 ABC2D7E8 -118.22 5.56 -9.26 -1.78 0
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59445 24871752 1 OF4N5H21C25 AB4C5D21E25 -111.1 5.13 -8.68 -0.55 0
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59446 24873735 1 O10N16C61H104 A10B16C61D104 -360.76 8.76 -8.16 -0.25 0
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59447 24874865 1 SO3F4N4H16C25 AB3C4D4E16F25 -162.63 6.1 -9.64 -1.68 0
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59448 24874879 1 O3N9H21C23 A3B9C21D23 67.08 4.52 -8.83 -1.26 0
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59449 24874880 1 O3N8C23H24 A3B8C23D24 29.86 4.59 -8.76 -1.23 0
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59450 24874893 1 O3N4C30H32 A3B4C30D32 -65.81 4.52 -8.43 -0.77 0
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59451 24874898 1 ClNO6C19H24 ABC6D19E24 -218.71 2.04 -8.94 -0.46 0
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59452 24874905 1 O2N3H9C14 A2B3C9D14 49.4 8.54 -9.16 -1.49 0
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59453 24874906 1 OSN3H9C14 ABC3D9E14 82.88 8.91 -9.09 -1.56 0
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59454 24874907 1 O2N3H13C17 A2B3C13D17 35.49 9.6 -8.99 -1.13 0
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59455 24874919 1 FO2N9H20C25 AB2C9D20E25 78.73 2.87 -9.01 -1.69 0
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59456 24874938 3 ON2C10H10 AB2C10D10 -17.63 7.03 -8.96 -0.71 0
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59457 24874940 1 O4N5C29H31 A4B5C29D31 -76.7 3.73 -8.73 -0.89 0
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59458 24874954 1 ON5C20H21 AB5C20D21 74.4 12.4 -8.66 -1.02 0
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59459 24874967 1 O4N9C28H31 A4B9C28D31 -2.55 7.69 -8.4 -1.06 0
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59460 24874980 1 O3N6C28H30 A3B6C28D30 -32.8 4.9 -8.92 -1.0 0
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59461 24874993 1 F3N3O4H22C29 A3B3C4D22E29 -180.42 4.44 -8.99 -0.63 0
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59462 24874997 1 ON4C16H18 AB4C16D18 39.03 8.26 -9.04 -0.92 0
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59463 24874998 1 ON4C19H24 AB4C19D24 23.54 9.44 -9.04 -0.91 0
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59464 24874999 1 ON4C19H22 AB4C19D22 57.29 9.77 -9.02 -0.89 0
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59465 24875000 1 O2N5C23H29 A2B5C23D29 -19.19 9.19 -8.93 -0.91 0
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59466 24875001 1 ON4C18H22 AB4C18D22 29.84 8.67 -9.03 -0.91 0
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59467 24875002 1 ON4C22H22 AB4C22D22 69.08 8.03 -9.06 -0.91 0
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59468 24875009 1 FO2N11H20C23 AB2C11D20E23 118.85 5.62 -9.65 -1.79 0
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59469 24875013 1 FO2N7C27H28 AB2C7D27E28 23.52 5.26 -8.84 -1.7 0
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59470 24875014 1 SO3N9H25C29 AB3C9D25E29 89.54 2.66 -8.77 -1.25 0
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59471 24875016 1 N6O8C17H24 A6B8C17D24 -280.46 15.96 -9.97 -0.97 0
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59472 24875019 1 SN4O4C23H30 AB4C4D23E30 -119.86 6.07 -8.78 -0.94 0
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59473 24875021 1 O2N4C23H30 A2B4C23D30 -47.24 2.28 -8.66 -0.46 0
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59474 24875022 1 F3N4O4C25H31 A3B4C4D25E31 -292.63 11.27 -8.73 -1.5 0
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59475 24875025 2 ClON2C11H13 ABC2D11E13 -43.23 1.42 -8.74 -0.89 0
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59476 24875026 1 F3N4O4C28H31 A3B4C4D28E31 -266.54 7.63 -8.79 -1.76 0
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59477 24875028 1 SO3N4C27H32 AB3C4D27E32 -84.64 5.49 -8.64 -1.0 0
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59478 24875031 1 O4N6C25H26 A4B6C25D26 -28.96 9.47 -9.29 -0.82 0
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59479 24875033 3 ON2C10H10 AB2C10D10 -14.77 4.52 -8.64 -0.77 0
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59480 24875034 1 O3N5C29H31 A3B5C29D31 -46.72 4.1 -8.62 -0.88 0
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59481 24875040 1 F3N3O3H24C29 A3B3C3D24E29 -150.37 6.09 -9.12 -0.62 0
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59482 24875042 1 F3O3N4H23C28 A3B3C4D23E28 -154.41 11.04 -9.07 -1.73 0
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59483 24875043 1 ON4H22C26 AB4C22D26 102.46 6.37 -8.6 -0.61 0
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59484 24875049 1 ON4C18H22 AB4C18D22 28.69 8.57 -9.02 -0.9 0
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59485 24875051 1 FO2N4H17C20 AB2C4D17E20 -4.09 8.3 -8.98 -1.32 0
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59486 24875052 1 ON3H11C13 AB3C11D13 65.9 8.72 -9.04 -0.91 0
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59487 24875071 1 ClO2N4C22H27 AB2C4D22E27 -40.55 2.34 -8.73 -0.72 0
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59488 24875076 1 F3N3O5C26H28 A3B3C5D26E28 -275.74 2.46 -8.74 -1.39 0
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59489 24875112 1 FO4N8H19C22 AB4C8D19E22 -24.42 7.15 -9.68 -1.71 0
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59490 24875114 1 FSO2N9H18C23 ABC2D9E18F23 88.02 2.62 -9.03 -1.86 0
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59491 24875116 1 O3N11H23C24 A3B11C23D24 125.17 8.9 -9.11 -1.47 0
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59492 24875118 1 SO3N7C24H25 AB3C7D24E25 18.8 4.27 -8.8 -0.97 0
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59494 24875124 1 N4O4C21H22 A4B4C21D22 -95.31 5.54 -9.47 -1.47 0
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59495 24875133 1 FN3O4H28C29 AB3C4D28E29 -140.9 4.64 -8.75 -0.67 0
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59496 24875141 3 NOH7C9 ABC7D9 36.54 4.92 -8.59 -0.56 0
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59497 24875152 1 ON4C15H16 AB4C15D16 45.01 10.28 -8.86 -0.78 0
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59498 24875154 1 ON4C18H20 AB4C18D20 60.36 9.89 -8.9 -0.81 0
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59499 24875157 1 O3N5C19H23 A3B5C19D23 -66.32 8.75 -9.3 -1.26 0
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59500 24875159 2 N2O2F3H14C15 A2B2C3D14E15 -427.42 4.72 -9.03 -1.63 0
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59501 24875165 1 FO3N9H18C23 AB3C9D18E23 61.3 3.65 -9.66 -1.79 0
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59502 24875177 1 O3N6C23H28 A3B6C23D28 -59.59 4.67 -9.36 -1.45 0
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59503 24875178 2 ON2C12H16 AB2C12D16 -13.39 3.21 -8.67 -1.17 0
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59504 24875181 1 N3O4C30H31 A3B4C30D31 -99.07 6.84 -8.62 -0.61 0
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59505 24875183 1 FN4O5C27H27 AB4C5D27E27 -169.04 5.76 -8.95 -0.9 0
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59506 24875185 1 FSN3O3H20C26 ABC3D3E20F26 -31.42 4.01 -8.97 -0.49 0
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59507 24875188 1 SF3N3O6H24C29 AB3C3D6E24F29 -269.3 11.18 -9.23 -1.1 0
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59508 24875191 1 SN2O4H24C28 AB2C4D24E28 -37.72 0.91 -8.8 -0.4 0
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59509 24875204 1 FO2N7H24C30 AB2C7D24E30 62.39 4.6 -8.49 -1.56 0
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59510 24875205 1 FO2N9H22C28 AB2C9D22E28 95.63 5.69 -8.68 -1.72 0
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59511 24875216 1 N2O3C14H24 A2B3C14D24 -132.15 4.21 -9.63 0.58 0
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59512 24875225 1 N4O4H30C31 A4B4C30D31 -70.39 7.56 -8.62 -0.61 0
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59513 24875226 1 N3O4C30H31 A3B4C30D31 -105.33 7.88 -8.85 -0.78 0
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59514 24875228 1 FN4O4C27H27 AB4C4D27E27 -128.77 7.33 -9.13 -0.87 0
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59515 24875229 1 N2S2F3O9H27C31 A2B2C3D9E27F31 -415.76 5.88 -8.93 -0.54 0
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59516 24875230 1 N2S2O7H26C29 A2B2C7D26E29 -164.44 3.48 -8.85 -0.36 0
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59517 24875234 2 N2H9C12 A2B9C12 149.28 5.62 -9.38 -0.72 0
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59518 24875235 1 O2F3N5H18C25 A2B3C5D18E25 -74.5 8.99 -9.5 -0.88 0
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59519 24875236 1 N5H17C23 A5B17C23 160.74 3.15 -9.56 -0.89 0
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59520 24875237 1 F3O3N4H21C27 A3B3C4D21E27 -128.93 6.33 -9.57 -0.84 0
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59521 24875238 1 ON4H20C25 AB4C20D25 109.86 5.81 -8.98 -0.75 0
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59522 24875240 1 ON4C16H18 AB4C16D18 33.87 9.28 -9.07 -0.92 0
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59523 24875244 1 ON4H16C18 AB4C16D18 69.33 10.16 -8.97 -0.84 0
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59524 24875245 1 ON4H16C22 AB4C16D22 103.61 7.79 -9.06 -0.94 0
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59525 24875246 1 O2N4H18C21 A2B4C18D21 21.13 5.09 -9.06 -0.92 0
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59526 24875248 1 F3N3O4C25H28 A3B3C4D25E28 -304.45 4.58 -8.85 -0.33 0
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59527 24875249 2 N2O2F3H14C15 A2B2C3D14E15 -430.26 3.65 -8.99 -1.77 0
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59528 24875251 1 F3O4N5C28H28 A3B4C5D28E28 -244.85 2.33 -8.96 -1.04 0
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59529 24875254 1 FO2N7C27H28 AB2C7D27E28 12.42 2.08 -8.48 -1.63 0
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59530 24875255 1 FO2N7C27H28 AB2C7D27E28 15.48 1.43 -9.01 -1.61 0
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59531 24875256 1 FO2N10H21C24 AB2C10D21E24 97.4 12.04 -9.19 -1.52 0
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59532 24875257 1 N2O3C14H24 A2B3C14D24 -129.83 4.07 -9.44 0.74 0
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59533 24875259 2 O2C12H19 A2B12C19 -169.38 1.72 -8.96 -0.27 0
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59534 24875260 2 ON3C13H17 AB3C13D17 -30.69 5.32 -8.91 -1.25 0
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59535 24875262 2 ON3C14H18 AB3C14D18 -21.73 6.55 -8.69 -1.27 0
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59536 24875265 1 FN4O4H29C31 AB4C4D29E31 -110.55 5.15 -8.72 -0.97 0
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59537 24875266 1 FN3O5C30H30 AB3C5D30E30 -175.12 7.33 -8.91 -1.0 0
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59538 24875267 1 N4O4C27H28 A4B4C27D28 -88.36 5.16 -9.14 -0.58 0
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59539 24875269 1 N3O4C30H31 A3B4C30D31 -103.51 7.53 -8.68 -0.55 0
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59540 24875270 1 N4O5C26H30 A4B5C26D30 -140.7 4.41 -9.65 -1.21 0
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59541 24875272 1 O2N5C24H29 A2B5C24D29 -16.64 2.92 -9.06 -1.31 0
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59542 24875275 1 BrN3H14C21 AB3C14D21 139.49 6.33 -9.63 -0.82 0