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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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17436 498588 1 HgSO2N6H8C11 ABC2D6E8F11 165.07 3.14 -8.98 -2.63 0
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17438 498681 1 MoOP2F3H27C33 ABC2D3E27F33 1.8 5.71 -7.07 -0.15 -1
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17440 498754 1 C14H19 A14B19 6.97 0.58 0.0 0.0 0
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17441 498761 1 N3P3C36H67 A3B3C36D67 -112.82 2.79 0.0 0.0 -1
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17442 498984 1 TlO6C30H31 AB6C30D31 -143.41 1.76 -8.66 -0.6 0
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17443 499199 1 ClCuSN4C12H17 ABCD4E12F17 95.51 8.67 0.0 0.0 0
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17444 499200 1 ClCuSN5C9H12 ABCD5E9F12 107.53 3.42 0.0 0.0 0
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17445 499202 1 SN5C13H19 AB5C13D19 73.13 1.83 -8.55 -1.01 0
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17446 499217 1 CoN3O3S3C18H20 AB3C3D3E18F20 121.83 43.7 -11.18 -7.78 2
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17447 499320 1 PCl2O10C45H61 AB2C10D45E61 -557.32 12.97 -9.71 -1.16 0
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17448 499392 1 CrNO5H12C16 ABC5D12E16 99.7 7.15 0.0 0.0 -1
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17449 499441 1 OSN3C28H31 ABC3D28E31 44.72 4.16 -8.0 -0.88 0
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17451 499465 1 ClSN2O4C21H23 ABC2D4E21F23 -154.82 6.1 -8.07 -0.89 0
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17454 499505 1 PtCl2N7H43C56 AB2C7D43E56 543.01 12.19 -8.1 -2.05 0
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17455 499545 1 PSC14H15 ABC14D15 37.12 2.95 -8.76 0.03 0
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17456 499546 1 PdN2S2C10H24 AB2C2D10E24 60.77 8.45 -6.75 1.04 2
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17457 499585 1 SO9C44H62 AB9C44D62 -429.21 1.74 -8.14 0.1 0
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17458 499589 1 ON3C16H17 AB3C16D17 42.65 3.27 -9.3 0.09 0
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17459 499624 1 OSN2C13H14 ABC2D13E14 -2.31 4.56 -8.84 -0.18 0
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17460 499720 1 NCl2O6C46H63 AB2C6D46E63 -294.27 6.29 -9.17 -1.14 0
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17461 499890 1 O4C23H38 A4B23C38 -234.17 3.66 -9.9 1.96 0
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17462 499925 1 ClO3N4C27H35 AB3C4D27E35 -130.42 7.72 -8.64 -0.93 0
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17463 499931 1 N3O3C22H25 A3B3C22D25 -68.07 6.57 -8.59 -0.08 0
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17464 499987 1 CSN3O4H7 ABC3D4E7 -161.64 11.97 -10.69 -0.62 0
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17465 500000 1 H3C5N7 A3B5C7 182.18 3.78 -10.26 -2.13 0
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17466 500093 2 O2C11H17 A2B11C17 -187.63 3.68 -8.51 0.8 0
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17467 500117 1 N2O6C17H22 A2B6C17D22 -262.32 4.51 -9.66 -0.79 0
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17468 500138 1 NSO3C25H35 ABC3D25E35 -106.1 3.82 -8.57 -0.53 0
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17469 500142 1 NOSC23H33 ABCD23E33 -62.93 2.37 -9.04 -0.23 0
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17470 500144 1 NSO2C24H35 ABC2D24E35 -100.27 2.04 -8.65 -0.27 0
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17471 500147 1 NSO2C25H35 ABC2D25E35 -111.17 2.4 -9.28 -0.21 0
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17472 500153 1 NSO2C23H33 ABC2D23E33 -91.93 3.31 -9.02 -0.36 0
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17473 500163 4 OC4H6 AB4C6 -208.25 5.86 -10.05 0.25 0
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17474 500303 1 BrNSO2C10H10 ABCD2E10F10 -51.61 3.64 -9.22 -0.59 0
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17475 500330 1 CuO3N7C21H21 AB3C7D21E21 37.08 3.87 0.0 0.0 0
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17476 500471 1 BrOH11C15 ABC11D15 23.41 1.01 -8.64 -0.71 0
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17477 500472 1 OH14C15 AB14C15 0.36 2.04 -8.71 0.11 0
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17478 500473 1 ClOH13C15 ABC13D15 -9.74 3.29 -8.79 -0.1 0
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17479 500661 1 N4O8C45H52 A4B8C45D52 -260.29 3.07 -8.82 -0.81 0
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17480 500683 1 SN5O8C33H43 AB5C8D33E43 -309.16 8.27 -9.16 -0.68 0
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17481 500782 1 N4O8C35H40 A4B8C35D40 -238.97 5.58 -9.13 -1.04 0
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17482 500792 1 FN4O6C38H39 AB4C6D38E39 -168.6 8.86 -8.43 -0.83 0
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17483 500808 1 N5O6C40H41 A5B6C40D41 -112.48 7.32 -8.94 -0.72 0
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17484 500843 1 SN4O7C39H48 AB4C7D39E48 -242.03 6.46 -8.96 -0.99 0
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17485 500844 1 ClON4C8H9 ABC4D8E9 14.74 4.24 -9.96 -1.27 0
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17486 500845 1 ClON5C8H10 ABC5D8E10 11.26 4.69 -9.15 -0.89 0
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17487 500974 1 PN5O7C21H22 AB5C7D21E22 -264.83 4.47 -8.74 -1.11 0
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17488 501059 2 NOC15H20 ABC15D20 -51.1 6.33 -8.87 0.24 0
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17489 501152 1 NSO3C25H37 ABC3D25E37 -105.37 5.75 -8.99 -1.13 0
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17490 501161 1 SN2O2H12C14 AB2C2D12E14 44.28 7.66 -8.92 -1.21 0
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17491 501227 1 ClNOSC14H14 ABCDE14F14 23.87 2.9 -8.7 -1.07 0
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17492 501265 1 Cl2N5H11C13 A2B5C11D13 81.86 7.43 -8.53 -0.78 0
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17493 501325 1 BrPN3O9C25H31 ABC3D9E25F31 -422.22 7.68 -9.26 -0.7 0
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17494 501333 1 F2O2N5C20H21 A2B2C5D20E21 -85.05 3.9 -8.58 -0.89 0
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17495 501494 1 NO7H21C26 AB7C21D26 -186.1 9.02 -9.4 -1.68 0
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17496 501528 1 P3N5C12O14H18 A3B5C12D14E18 -741.73 6.94 -9.09 -0.72 0
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17497 501532 1 FN3P3C9O13H15 AB3C3D9E13F15 -777.63 3.98 -9.94 -0.72 0
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17498 501533 1 ClN2P3C9H14O14 AB2C3D9E14F14 -800.75 6.8 -9.61 -0.9 0
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17499 501697 1 SO2N5H13C17 AB2C5D13E17 70.03 4.18 -9.56 -1.47 0
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17500 501698 1 SO3N5H13C17 AB3C5D13E17 41.25 3.35 -9.21 -1.52 0
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17501 501901 1 N5O5C34H41 A5B5C34D41 -162.46 4.45 -9.61 -0.6 0
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17502 501902 1 N5O6C32H39 A5B6C32D39 -205.25 5.37 -9.18 -0.46 0
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17503 502022 1 N4O7C31H46 A4B7C31D46 -335.79 3.03 -9.34 -0.49 0
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17504 502108 1 SN3O3C20H21 AB3C3D20E21 -53.26 6.82 -8.33 -1.29 0
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17505 502109 1 SN3O5H15C18 AB3C5D15E18 -56.19 5.27 -9.42 -1.68 0
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17506 502275 1 N5O7C14H23 A5B7C14D23 -292.73 5.65 -9.63 0.18 0
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17507 502278 1 N5O7C28H51 A5B7C28D51 -364.74 4.48 -9.46 -0.46 0
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17508 502284 1 N4O7C24H44 A4B7C24D44 -338.76 6.77 -9.78 -0.5 0
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17509 502285 1 N4O7C26H48 A4B7C26D48 -354.09 2.62 -9.76 -0.79 0
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17510 502423 1 N4O5H18C24 A4B5C18D24 -94.29 3.34 -9.03 -1.52 0
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17511 502432 1 FN4O5H13C18 AB4C5D13E18 -164.12 7.11 -9.22 -1.49 0
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17512 502457 1 N4O5H18C21 A4B5C18D21 -127.03 5.05 -9.32 -1.46 0
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17513 502464 1 Cl2N4O5H12C18 A2B4C5D12E18 -137.54 8.56 -9.49 -1.47 0
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17514 502465 1 F3N4O5H13C19 A3B4C5D13E19 -278.71 3.19 -9.53 -1.55 0
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17515 502487 1 F3N4O6H15C20 A3B4C6D15E20 -325.24 2.4 -9.52 -1.52 0