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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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148577 53788245 1 NOC16H23 ABC16D23 -55.9 4.05 -8.86 0.45 0
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148578 53788246 2 C11H14 A11B14 44.62 1.43 -9.35 0.4 0
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148579 53788247 1 SN4C7H8 AB4C7D8 75.82 5.63 -8.86 -0.56 0
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148580 53788248 1 SO2N4C19H34 AB2C4D19E34 -61.45 9.34 -8.85 -0.4 0
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148581 53788249 2 N2H5C6 A2B5C6 114.28 4.19 -8.9 -0.85 0
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148582 53788250 1 OSCl2N2H10C14 ABC2D2E10F14 40.12 3.47 -8.09 -1.07 0
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148583 53788251 1 NOC27H47 ABC27D47 -86.93 2.51 -8.68 -0.05 0
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148584 53788252 1 N2O3C19H28 A2B3C19D28 -146.66 2.41 -8.61 0.16 0
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148585 53788253 1 ClSN4C12H15 ABC4D12E15 58.66 2.29 -8.46 -0.51 0
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148586 53788254 1 O15C38H50 A15B38C50 -635.55 5.14 -10.39 -0.45 0
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148587 53788255 1 SN3H5C6 AB3C5D6 77.66 5.42 -8.96 -0.92 0
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148588 53788256 1 NC16H21 AB16C21 -5.76 1.58 -8.03 0.47 1
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148589 53788257 1 SN2C3H5 AB2C3D5 20.46 5.28 0.0 0.0 0
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148590 53788258 2 NO3C21H29 AB3C21D29 -234.99 7.84 -9.65 -0.64 0
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148591 53788259 1 OSN4C6H6 ABC4D6E6 72.95 1.97 -8.52 -0.6 0
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148592 53788260 1 C3H3N5 A3B3C5 130.11 3.57 -10.87 -1.73 1
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148593 53788261 1 C3H4N5 A3B4C5 105.71 2.7 0.0 0.0 0
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148594 53788262 1 ON6H8C10 AB6C8D10 114.44 3.12 -9.78 -1.52 0
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148595 53788263 1 CH3N7 AB3C7 165.78 7.15 -10.49 -2.38 0
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148596 53788264 1 ON3C14H23 AB3C14D23 -52.1 4.9 -8.34 0.81 0
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148597 53788265 1 O3C28H52 A3B28C52 -191.2 2.44 -9.61 0.78 0
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148598 53788266 1 O3C24H40 A3B24C40 -162.01 1.4 -9.43 0.92 1
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148599 53788267 1 NOH16C20 ABC16D20 72.86 4.58 0.0 0.0 0
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148600 53788268 1 FNC11H20 ABC11D20 -85.22 0.92 -9.38 3.33 0
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148601 53788269 1 O2N3H17C18 A2B3C17D18 -8.2 1.62 -8.46 -0.9 0
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148602 53788270 1 OC10H20 AB10C20 -85.51 3.62 -9.71 0.82 0
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148603 53788271 1 F3O3H13C17 A3B3C13D17 -219.52 4.47 -9.62 -0.98 0
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148604 53788272 1 NO3C19H29 AB3C19D29 -144.54 4.52 -8.84 0.14 0
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148605 53788273 1 NO3C19H29 AB3C19D29 -143.45 2.08 -8.81 0.2 0
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148606 53788274 1 NO3C19H29 AB3C19D29 -143.63 0.57 -8.62 0.36 0
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148607 53788275 1 N2O6C29H34 A2B6C29D34 -169.57 5.91 -9.83 -1.46 0
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148608 53788276 1 PO3C18H21 AB3C18D21 -119.56 7.18 -9.26 -0.05 0
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148609 53788277 1 Cl2O2N4C17H20 A2B2C4D17E20 -44.57 3.19 -8.54 -0.45 0
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148610 53788278 1 ClNO2C20H20 ABC2D20E20 -54.62 2.84 -8.94 -0.43 0
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148611 53788279 1 O2C9H18 A2B9C18 -116.0 3.76 -9.84 1.8 0
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148612 53788280 1 NPC4O4H6 ABC4D4E6 -176.43 7.86 -10.0 -1.54 0
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148613 53788281 1 BrFNO3C34H49 ABCD3E34F49 -209.02 4.14 -8.8 -0.5 0
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148614 53788282 1 N2C13H18 A2B13C18 37.76 1.12 -8.94 0.32 0
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148615 53788283 1 O9C54F55H83 A9B54C55D83 -3479.9 12.94 -10.98 -1.83 0
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148616 53788284 1 O2F3C4H7 A2B3C4D7 -253.54 3.25 -10.9 1.05 0
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148617 53788285 1 O2C6F7H7 A2B6C7D7 -465.36 2.78 -11.4 0.16 0
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148618 53788286 1 O2H5C7F11 A2B5C7D11 -674.98 1.86 -12.45 -1.17 0
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148619 53788287 1 O3H5C10F17 A3B5C10D17 -1021.84 2.97 -12.61 -1.64 0
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148620 53788288 1 BON4C34H64 ABC4D34E64 -99.35 7.44 0.0 0.0 0
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148621 53788289 1 C21H44 A21B44 -106.25 0.16 -10.4 4.11 0
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148622 53788290 1 NPO4C17H20 ABC4D17E20 -183.14 3.01 -9.5 -0.11 0
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148623 53788291 1 SiO3C12H17 AB3C12D17 -72.62 1.75 0.0 0.0 0
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148624 53788292 1 NO4H17C18 AB4C17D18 -47.86 1.61 -9.05 -1.49 0
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148625 53788293 4 OC10H17 AB10C17 -251.06 2.09 -9.13 0.72 0
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148626 53788294 2 ON2C11H17 AB2C11D17 -81.76 7.95 -8.83 -0.49 0
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148627 53788295 1 N2O4H22C23 A2B4C22D23 -114.1 5.97 -8.59 -0.39 0
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148628 53788296 11 H2C3 A2B3 134.06 0.21 -8.62 -0.56 0
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148629 53788297 3 NO3H9C10 AB3C9D10 -292.7 7.63 -8.9 -1.36 0
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148630 53788298 1 N4O4C29H32 A4B4C29D32 -102.24 3.46 -8.71 -1.16 0
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148631 53788299 1 O5H22C30 A5B22C30 -87.63 7.66 -8.85 -1.34 0
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148632 53788300 1 ON2C20H22 AB2C20D22 37.13 1.82 -8.16 -0.19 0
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148633 53788301 2 OC5H5 AB5C5 -34.49 3.14 -9.23 -0.41 0
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148634 53788302 1 O5N6C28H32 A5B6C28D32 -102.15 2.51 -7.78 -1.43 0
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148635 53788303 1 O2N3H27C29 A2B3C27D29 58.8 4.8 -8.86 -0.91 0
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148636 53788304 1 O5N10C36H46 A5B10C36D46 -130.92 10.39 -8.6 -0.25 0
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148637 53788305 1 OC8H12 AB8C12 -24.53 3.35 -10.12 -0.13 0
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148638 53788306 1 NSCl2O7C24H29 ABC2D7E24F29 -246.35 4.26 -8.63 -0.56 0
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148639 53788307 1 OC15H20 AB15C20 -44.12 3.31 -9.05 0.3 0
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148640 53788308 1 O3N6H10C12 A3B6C10D12 98.57 3.91 -9.18 -1.53 0
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148641 53788309 2 ON3C12H22 AB3C12D22 -112.66 3.18 -8.89 -0.58 0
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148642 53788310 1 O4N5C25H31 A4B5C25D31 -82.03 6.22 -9.53 -1.68 0
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148643 53788311 1 NO3C30H39 AB3C30D39 -95.61 4.99 -8.04 -0.73 0
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148644 53788312 1 FOSCl2N2C14H15 ABCD2E2F14G15 -70.67 3.88 -8.66 -0.66 0
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148645 53788313 1 NSO2F4H19C20 ABC2D4E19F20 -215.63 7.73 -9.12 -1.76 0
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148646 53788314 1 Cl2N5O6H31C33 A2B5C6D31E33 -156.55 6.43 -8.64 -1.34 0
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148647 53788315 1 NO4C19H19 AB4C19D19 -116.14 7.15 -9.11 -0.95 0
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148648 53788316 1 N3O5C30H35 A3B5C30D35 -136.5 5.48 -8.66 -0.21 0
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148649 53788317 1 N2O2C13H22 A2B2C13D22 -66.59 1.8 -8.91 0.86 0
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148650 53788318 1 FO4N6C24H29 AB4C6D24E29 -134.59 6.4 -9.0 -0.88 0
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148651 53788319 1 N5C11H27 A5B11C27 6.77 3.5 -8.51 1.64 0
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148652 53788320 1 ON2C12H26 AB2C12D26 -92.69 3.42 -9.44 1.42 0
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148653 53788321 1 N4O4H14C17 A4B4C14D17 -23.13 3.7 -9.58 -1.49 0
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148654 53788322 1 O2F3N3C21H22 A2B3C3D21E22 -199.98 3.73 -9.21 -0.89 0
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148655 53788323 1 NSO4H19C21 ABC4D19E21 -38.23 4.06 -9.5 -1.01 0
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148656 53788324 1 SCl2N3O4H21C23 AB2C3D4E21F23 -101.96 5.14 -8.78 -1.06 0
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148657 53788325 1 O2C13H24 A2B13C24 -133.38 2.12 -9.75 0.87 0
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148658 53788326 1 SN2O2C28H38 AB2C2D28E38 -68.43 3.15 -8.49 -0.42 0
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148659 53788327 3 OC7H10 AB7C10 -143.64 3.47 -9.0 0.23 0
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148660 53788328 1 FO4N6H27C30 AB4C6D27E30 -64.29 2.69 -8.97 -1.06 0
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148661 53788329 1 N2O5C24H24 A2B5C24D24 -161.19 7.0 -9.48 -1.1 0
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148662 53788330 1 SO3C6H12 AB3C6D12 -146.46 2.79 -10.69 0.04 0
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148663 53788331 1 NSO7C10H13 ABC7D10E13 -268.64 3.79 -10.69 -0.82 0
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148664 53788332 1 PSN2O3C9H13 ABC2D3E9F13 -159.0 2.76 -9.3 -0.2 0
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148665 53788333 1 SO6C23H38 AB6C23D38 -275.09 10.12 -9.04 -0.17 0
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148666 53788334 1 NSO5C31H39 ABC5D31E39 -163.81 6.21 -8.9 -0.67 0
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148667 53788335 1 O3N5C19H25 A3B5C19D25 -56.3 3.57 -8.05 -0.41 0
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148668 53788336 1 SiN2O3C20H30 AB2C3D20E30 -142.46 2.46 -8.17 0.67 1
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148669 53788337 1 N2O2C22H25 A2B2C22D25 6.5 1.01 0.0 0.0 0
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148670 53788338 2 NC16H31 AB16C31 -107.06 4.06 -9.09 0.86 0
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148671 53788339 1 NC20H25 AB20C25 28.65 1.98 -8.79 -0.3 0
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148672 53788340 1 ON3C25H35 AB3C25D35 1.47 3.18 -9.17 -0.62 0
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148673 53788341 1 SN3O5C7H9 AB3C5D7E9 -154.33 7.96 -10.3 -1.55 0
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148674 53788342 1 SN2O2C22H24 AB2C2D22E24 -29.97 3.24 -8.33 -0.05 0
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148675 53788343 1 O3C6H10 A3B6C10 -122.92 5.09 -10.2 0.47 1
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148676 53788344 1 ON6C10H17 AB6C10D17 46.34 7.03 0.0 0.0 0