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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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409415 135082196 1 SeS2H4C5 AB2C4D5 61.54 2.34 -8.22 -1.9 1
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409416 135082197 1 H3C4S4 A3B4C4 35.87 1.02 0.0 0.0 0
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409417 135082198 1 O2H6C9 A2B6C9 0.27 5.92 -8.52 -2.04 1
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409418 135082199 1 O2H7C9 A2B7C9 -31.37 2.16 0.0 0.0 0
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409419 135082200 2 Br2C4H5 A2B4C5 20.73 2.37 -10.11 -1.43 0
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409425 135082206 1 BiON2F6C21H23 ABC2D6E21F23 -262.95 11.26 -8.51 -0.63 0
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409426 135082207 1 BiO2H11F12C19 AB2C11D12E19 -603.63 6.82 -9.92 -1.75 0
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409427 135082208 1 AuPF2H18C24 ABC2D18E24 16.48 10.69 -8.73 -0.77 0
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409428 135082209 1 AuPF3H17C24 ABC3D17E24 38.8 1.7 -8.64 -1.3 0
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409429 135082210 1 AuPCl5C12H15 ABC5D12E15 112.87 20.52 -7.26 -3.25 0
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409430 135082211 1 AuPBr5H15C24 ABC5D15E24 285.32 7.07 -8.72 -3.01 0
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409436 135082217 1 BiO2H9F12C18 AB2C9D12E18 -609.57 6.94 -9.97 -1.9 0
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409437 135082218 1 BiO2C19H23 AB2C19D23 -8.19 6.28 -8.55 -0.26 -4
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409438 135082219 2 AuClC4H10 ABC4D10 40.17 13.04 -9.26 -1.9 -4
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409439 135082220 2 AuIC4H10 ABC4D10 33.3 11.42 -9.38 -1.63 -2
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409440 135082221 1 AuPCl2F4H18C25 ABC2D4E18F25 48.52 12.19 -9.32 -2.64 0
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409444 135082225 1 ClPC10H24 ABC10D24 -87.36 7.55 -8.69 1.8 -2
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409445 135082226 1 Au2P2O4H41C43 A2B2C4D41E43 198.28 17.77 0.0 0.0 -2
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409449 135082230 1 ClH3C5 AB3C5 121.62 2.17 -9.52 -1.65 0
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409453 135082234 1 OC6H6 AB6C6 89.83 2.28 -8.36 -1.33 0
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409456 135082237 1 NC8H11 AB8C11 126.75 0.91 -8.76 -1.13 0
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409459 135082240 1 AuClO2S2C6H16 ABC2D2E6F16 -34.94 7.42 -8.73 0.43 0
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409461 135082242 1 NAu2P3H35C38 AB2C3D35E38 197.71 5.82 0.0 0.0 0
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409462 135082244 1 AuPH20C26 ABC20D26 288.42 2.15 -8.4 -0.93 0
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409463 135082245 1 AuPH18C21 ABC18D21 224.39 1.95 -8.23 -0.39 0
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409464 135082246 2 AuSC3F3O3H6 ABC3D3E3F6 -402.43 3.96 -9.87 -2.43 0
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409466 135082248 1 MoN2C16H22 AB2C16D22 188.34 6.24 -6.29 0.8 0
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409467 135082249 1 OS2C9H18 AB2C9D18 -82.62 3.48 -8.6 0.31 0
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409468 135082250 1 OS2C11H22 AB2C11D22 -90.27 3.6 -8.44 0.46 0
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409469 135082251 1 O2C25H26 A2B25C26 8.83 2.32 -9.25 0.08 0
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409470 135082252 1 FCl2N2O2C16H23 AB2C2D2E16F23 -153.02 5.41 -9.53 -0.78 0
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409471 135082253 1 F2S2N4O9H10C16 A2B2C4D9E10F16 -270.18 2.67 -9.17 -2.35 0
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409472 135082254 1 O2S2N4C5H10 A2B2C4D5E10 -29.73 7.26 -9.38 -1.21 0
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409473 135082255 2 HNOC3 ABCD3 20.56 0.07 -8.37 -0.82 0
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409474 135082256 1 NO2H3C7 AB2C3D7 9.1 2.01 -8.0 -0.64 0
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409475 135082257 1 SiO4C15H26 AB4C15D26 -221.29 2.38 -8.71 0.56 0
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409476 135082258 1 ClFNOC12H13 ABCDE12F13 -53.64 4.81 -8.34 -0.22 0
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409477 135082259 1 NOC13H17 ABC13D17 -7.7 2.95 -8.06 0.56 0
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409478 135082260 1 SiO2C12H24 AB2C12D24 -151.65 2.31 -8.78 0.89 0
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409479 135082261 1 BO2C18H31 AB2C18D31 -192.91 2.35 -9.29 1.43 0
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409480 135082262 2 BSiC15H25 ABC15D25 -123.77 0.12 -8.0 0.94 0
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409481 135082263 1 BNO4C49H58 ABC4D49E58 -150.11 2.36 -9.26 0.07 0
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409482 135082264 1 BO3C38H47 AB3C38D47 -152.82 1.91 -9.14 0.12 0
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409483 135082265 1 SN2O4C10H10 AB2C4D10E10 -125.11 5.33 -10.31 -0.76 0
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409484 135082266 1 O2H5N5C11 A2B5C5D11 57.42 2.92 -10.11 -1.64 0
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409485 135082267 1 PtSeCl2C8H14 ABC2D8E14 90.98 0.8 -8.62 -2.71 0
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409486 135082268 1 PtSeCl2C10H18 ABC2D10E18 80.74 0.55 -8.56 -2.79 0
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409487 135082269 1 SeC10H18 AB10C18 12.14 2.18 -8.25 0.29 0
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409488 135082270 1 BC12H21 AB12C21 -45.06 0.49 -8.45 0.66 0
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409489 135082271 1 BH7F10C21 AB7C10D21 -359.3 2.06 -9.26 -1.49 0
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409490 135082272 1 BNSiO2C21H40 ABCD2E21F40 -176.45 2.62 -8.83 0.59 1
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409491 135082273 1 KC11H21 AB11C21 50.14 34.36 -3.36 -2.12 0
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409492 135082274 1 C11H21 A11B21 -12.99 0.48 0.0 0.0 1
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409493 135082275 1 KC9H17 AB9C17 -1.21 9.12 -5.44 0.41 0
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409494 135082276 1 C9H17 A9B17 -2.57 0.5 0.0 0.0 0
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409495 135082277 1 OK2F3H5C8 AB2C3D5E8 -213.98 12.11 -6.65 0.29 0
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409496 135082278 1 OK2F3H5C8 AB2C3D5E8 -224.15 6.93 -6.74 0.75 1
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409497 135082279 1 KC7H13 AB7C13 7.37 9.35 -5.19 0.29 0
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409498 135082280 1 NK2O3C12H15 AB2C3D12E15 -143.49 9.58 -5.78 0.52 1
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409499 135082281 1 NOH8C9 ABC8D9 2.46 3.35 0.0 0.0 0
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409500 135082282 1 N3H9C14 A3B9C14 93.44 1.8 -8.26 -1.19 0
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409501 135082283 1 N2H8C11 A2B8C11 69.92 2.25 -7.88 -0.93 0
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409502 135082284 2 OH10C14 AB10C14 40.18 4.16 -9.32 -0.86 0
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409504 135082286 1 PtO4C37H40 AB4C37D40 -22.77 6.01 -8.46 -0.93 0
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409505 135082287 1 O2C33H34 A2B33C34 -19.39 0.87 -9.22 0.15 0
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409506 135082288 1 PtH34C36 AB34C36 201.86 2.95 -8.74 -0.92 0
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409507 135082289 2 H15C17 A15B17 109.49 0.86 -9.07 0.24 2
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409508 135082290 1 OsO3N5C13H33 AB3C5D13E33 -151.13 5.82 -9.29 -2.29 0
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409509 135082291 2 BO3H18C21 AB3C18D21 -280.17 2.15 -8.74 -0.23 0
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409510 135082292 1 BO3H21C28 AB3C21D28 -97.99 1.31 -8.54 -0.8 0
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409514 135082296 1 NO3H11C12 AB3C11D12 -68.91 5.68 -9.73 -0.65 0
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409515 135082297 1 NO3H13C17 AB3C13D17 -36.5 5.31 -9.66 -0.67 0
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409516 135082298 1 NO6C10H13 AB6C10D13 -209.66 4.93 -9.3 -0.54 0
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409517 135082299 1 OF9C30H39 AB9C30D39 -546.56 4.24 -9.84 -0.7 0
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409518 135082300 1 SC2F2O3 AB2C2D3 -184.0 4.61 -11.24 -1.74 0
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409519 135082301 4 C3H4 A3B4 38.58 1.65 -8.84 0.83 0
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409520 135082302 1 NO3C9H9 AB3C9D9 -31.86 4.96 -9.3 -0.92 0
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409521 135082303 3 OH4C5 AB4C5 53.56 6.82 -9.84 -1.01 0
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409522 135082304 16 CH AB 121.49 0.03 -8.04 -0.46 0
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409523 135082305 1 PC10H17 AB10C17 27.8 2.29 -7.75 2.74 0
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409524 135082306 1 ClN2O11H33C38 AB2C11D33E38 -225.56 6.25 -8.62 -1.42 0
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409526 135082308 1 SO2H28C30 AB2C28D30 82.06 3.7 -8.68 -0.41 0
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409527 135082309 1 N6C9H10 A6B9C10 118.12 3.95 -8.6 -0.94 0
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409529 135082311 1 NOSC15H19 ABCD15E19 37.09 5.73 -7.54 -0.4 -2
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409530 135082312 2 OSC2H3 ABC2D3 -28.37 1.19 -9.26 -1.79 0
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409531 135082313 2 OSC2H4 ABC2D4 -79.43 1.74 -9.26 -0.14 0
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409532 135082314 2 H9C23 A9B23 165.62 0.16 -7.48 -2.08 0
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409533 135082315 8 H2C5 A2B5 520.44 9.56 -7.71 -2.26 0
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409534 135082316 1 H62C101 A62B101 1744.95 4.37 -7.8 -1.36 0
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409535 135082317 1 P2O4H30C37 A2B4C30D37 -3.87 0.83 -8.33 -0.13 0
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409536 135082318 2 C12H17 A12B17 -25.94 0.11 -8.51 -0.2 0
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409537 135082319 1 S2H26C29 A2B26C29 101.36 1.68 -8.62 -1.07 -3
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409538 135082320 1 NPtC16H31 ABC16D31 66.12 2.0 -8.68 -0.74 0
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409545 135082327 1 BPtN6C17H25 ABC6D17E25 154.99 3.43 -9.25 -1.16 0
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409548 135082330 1 PtP3F6C20H29 AB3C6D20E29 -330.41 4.03 -8.8 -2.56 0
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409549 135082331 1 BrMgNO3C5H8 ABCD3E5F8 -198.23 3.76 -10.11 -0.6 0
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409550 135082332 1 AlS2Cl3N3O4F9C22H28 AB2C3D3E4F9G22H28 -692.01 11.29 -9.81 -1.01 0
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409551 135082333 1 BrMgSN2O2C4H7 ABCD2E2F4G7 -152.97 9.96 -9.76 -1.0 0
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409552 135082334 1 NO5H17C20 AB5C17D20 -103.64 5.52 -10.12 -0.88 0
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409553 135082335 1 N6O14C23H32 A6B14C23D32 -584.58 1.38 -10.07 -0.86 0