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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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430481 135170545 1 NO4C13H13 AB4C13D13 -117.39 2.79 -9.48 -1.23 0
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430482 135170546 1 NO3C13H19 AB3C13D19 -112.52 2.9 -9.79 -0.49 0
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430483 135170547 1 NO3C13H21 AB3C13D21 -146.05 3.66 -9.71 -0.44 0
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430484 135170548 1 NO4C9H13 AB4C9D13 -158.89 2.92 -9.99 -0.81 0
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430485 135170549 1 NO3C9H13 AB3C9D13 -123.28 2.61 -9.86 -0.56 0
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430486 135170550 1 NO4C8H11 AB4C8D11 -151.98 4.33 -9.92 -0.92 0
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430487 135170551 1 NO2C7H11 AB2C7D11 -80.19 2.11 -9.82 -0.45 0
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430488 135170552 1 NO4C9H13 AB4C9D13 -156.17 4.56 -9.9 -0.91 0
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430489 135170553 1 NO3C11H17 AB3C11D17 -132.7 2.76 -9.82 -0.51 0
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430490 135170554 1 OC10H16 AB10C16 -51.86 0.32 -8.42 0.61 0
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430491 135170555 1 NO2C6H9 AB2C6D9 -76.77 3.56 -9.8 -0.43 0
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430492 135170556 1 NO4C5H7 AB4C5D7 -106.27 3.75 -10.12 -0.84 0
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430493 135170557 1 N3C8H13 A3B8C13 38.8 3.69 -9.42 0.6 0
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430494 135170558 1 N3C8H15 A3B8C15 20.16 1.6 -8.58 0.68 0
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430495 135170559 4 NC3H4 AB3C4 59.51 3.37 -9.4 -0.71 0
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430496 135170560 1 N3C7H11 A3B7C11 53.47 3.74 -9.33 0.55 0
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430497 135170561 1 N3C9H17 A3B9C17 14.21 1.58 -8.51 0.73 0
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430498 135170562 1 NO3C12H19 AB3C12D19 -137.18 5.98 -9.64 -0.46 0
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430499 135170563 1 F3N4H7C9 A3B4C7D9 -69.63 5.08 -10.01 -1.3 0
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430500 135170564 1 F3N4H7C9 A3B4C7D9 -70.33 2.29 -10.18 -1.32 0
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430501 135170565 1 N3C8H15 A3B8C15 15.17 3.53 -9.4 0.7 0
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430502 135170566 1 NO4C14H23 AB4C14D23 -194.56 3.91 -9.82 -0.64 0
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430503 135170569 1 N4C9H10 A4B9C10 72.85 2.93 -9.33 -0.77 0
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430504 135170570 1 NO4C9H13 AB4C9D13 -160.5 4.78 -9.9 -0.84 0
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430505 135170571 1 NO3C10H15 AB3C10D15 -128.81 4.83 -9.72 -0.52 0
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430506 135170572 1 O3N4C31H38 A3B4C31D38 -44.1 4.87 -8.54 -1.48 0
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430507 135170573 3 NC2H3 AB2C3 61.56 2.91 -9.61 0.24 0
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430508 135170574 1 N2S2H6C7 A2B2C6D7 71.64 1.68 -9.3 -1.38 0
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430509 135170575 1 ON3C6H11 AB3C6D11 -1.25 4.06 -9.61 0.51 0
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430510 135170576 1 ClNSC7H8 ABCD7E8 35.36 1.16 -9.28 -0.58 0
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430511 135170577 1 N2O3C12H18 A2B3C12D18 -83.17 1.39 -9.2 0.22 0
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430512 135170578 1 ClNO2C5H6 ABC2D5E6 -71.28 2.69 -10.15 -0.88 0
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430513 135170579 1 CaN2S2O5C56H56 AB2C2D5E56F56 11.74 4.3 -4.84 -1.19 0
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430514 135170580 1 N2S2O5C56H56 A2B2C5D56E56 -18.41 5.7 -8.63 0.07 0
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430515 135170581 1 NO4C12H19 AB4C12D19 -176.74 4.99 -9.84 -0.81 0
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430516 135170582 1 CaS2N4O5C54H54 AB2C4D5E54F54 44.52 7.33 -4.9 -1.3 0
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430517 135170583 1 S2N4O5C54H54 A2B4C5D54E54 -5.96 7.26 -8.75 -0.37 0
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430518 135170584 1 NSO4C9H13 ABC4D9E13 -148.76 4.16 -9.11 -1.04 0
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430519 135170585 1 NSC9H13 ABC9D13 12.03 3.3 -9.03 -0.09 0
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430520 135170586 1 NSC8H13 ABC8D13 7.77 3.05 -9.03 -0.08 0
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430521 135170587 1 ClNOC7H10 ABCD7E10 -20.49 1.54 -10.17 0.01 0
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430522 135170588 1 NSC9H13 ABC9D13 34.15 2.88 -9.01 -0.13 0
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430523 135170589 1 NSC8H11 ABC8D11 37.68 2.83 -9.02 -0.15 0
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430524 135170590 1 NSC8H11 ABC8D11 29.36 2.92 -9.05 -0.1 0
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430525 135170591 1 NSC7H11 ABC7D11 11.98 3.23 -9.04 -0.09 0
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430526 135170592 1 NO4C11H17 AB4C11D17 -177.63 3.98 -9.86 -0.67 0
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430527 135170593 1 NO5C8H11 AB5C8D11 -181.2 4.27 -9.84 -0.9 0
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430528 135170594 1 NO2F3C6H6 AB2C3D6E6 -224.33 4.29 -10.44 -1.4 0
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430529 135170595 1 NO3C11H17 AB3C11D17 -136.54 3.29 -9.77 -0.51 0
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430530 135170596 1 NOSC11H11 ABCD11E11 13.05 4.69 -8.83 -0.58 0
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430531 135170597 1 NSC8H11 ABC8D11 35.4 3.4 -8.85 -0.16 0
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430532 135170598 1 NSH4F5C6 ABC4D5E6 -227.75 2.3 -9.61 -1.19 0
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430533 135170599 1 NO2C8H13 AB2C8D13 -86.17 3.53 -9.76 -0.4 0
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430534 135170600 1 BrNO4C7H8 ABC4D7E8 -134.37 3.95 -10.21 -1.3 0
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430535 135170601 1 NO4C12H19 AB4C12D19 -183.57 5.63 -9.72 -0.7 1
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430536 135170602 1 O3N6C61H67 A3B6C61D67 -9.65 3.66 0.0 0.0 0
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430537 135170603 1 NO4C8H11 AB4C8D11 -147.57 1.89 -9.69 -0.57 0
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430538 135170604 2 OC5H7 AB5C7 -81.67 0.29 -9.93 -0.21 0
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430539 135170605 1 ClNO3C7H8 ABC3D7E8 -115.96 3.39 -10.06 -1.02 0
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430540 135170606 1 NO5C8H11 AB5C8D11 -178.57 0.99 -9.8 -0.92 0
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430541 135170607 1 ClNOC8H12 ABCD8E12 -20.07 2.33 -9.58 0.02 0
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430542 135170608 1 ClNOC7H10 ABCD7E10 -19.14 0.65 -10.37 -0.06 0
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430543 135170609 1 NOC11H19 ABC11D19 -27.13 3.59 -9.46 0.5 0
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430544 135170610 1 ClNOC8H12 ABCD8E12 -19.37 3.24 -10.24 0.01 0
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430545 135170611 1 NOC10H17 ABC10D17 -20.62 3.13 -9.89 0.38 0
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430546 135170612 1 FNOC7H10 ABCD7E10 -47.57 1.89 -10.06 -0.04 0
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430547 135170613 1 ON2C8H10 AB2C8D10 27.94 0.63 -10.47 -0.16 0
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430548 135170614 1 NSC36H75 ABC36D75 -167.3 0.53 -8.54 0.38 0
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430549 135170615 1 ClN2O2F3H8C11 AB2C2D3E8F11 -201.8 5.35 -9.44 -1.13 0
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430550 135170616 1 ON2F3C9H9 AB2C3D9E9 -176.86 4.44 -10.11 -1.09 0
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430551 135170617 1 N2O2F3C12H15 A2B2C3D12E15 -249.81 2.21 -9.27 -0.88 0
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430552 135170618 1 NO2C8H13 AB2C8D13 -52.96 2.71 -10.16 0.06 0
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430553 135170619 1 FNOC8H12 ABCD8E12 -54.17 2.13 -9.98 0.02 0
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430554 135170620 1 NOC10H17 ABC10D17 -22.3 3.11 -9.9 0.38 0
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430555 135170621 1 BrNOC8H12 ABCD8E12 -10.34 2.48 -9.72 -0.19 0
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430556 135170622 1 NOC9H13 ABC9D13 6.04 3.86 -9.93 0.26 0
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430557 135170623 1 ON2F3C9H9 AB2C3D9E9 -186.05 2.34 -9.33 -0.94 0
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430558 135170624 1 ON2C9H14 AB2C9D14 -26.36 1.79 -9.89 -0.34 0
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430559 135170625 1 NF5H6C8 AB5C6D8 -234.58 1.46 -10.32 -0.87 0
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430560 135170626 1 NOF2C8H9 ABC2D8E9 -131.72 1.52 -10.04 -0.57 0
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430561 135170627 1 NOF2C9H11 ABC2D9E11 -136.67 3.06 -10.16 -0.67 0
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430562 135170628 1 ClN2C8H11 AB2C8D11 0.48 1.54 -10.2 -0.6 0
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430563 135170629 1 NO2C11H11 AB2C11D11 -42.53 3.64 -9.6 -1.04 0
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430564 135170630 1 ON2C8H10 AB2C8D10 26.52 2.43 -10.3 -0.07 0
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430565 135170631 1 ClNOC7H8 ABCD7E8 16.85 1.94 -10.16 -0.07 0
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430566 135170632 1 ClN3C13H16 AB3C13D16 37.46 1.92 -9.33 -0.7 0
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430567 135170633 1 NOC9H13 ABC9D13 13.88 2.9 -9.93 0.26 0
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430568 135170634 1 NO3C13H13 AB3C13D13 -85.42 2.6 -9.39 -1.0 0
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430569 135170635 1 F3N3C14H16 A3B3C14D16 -114.52 4.18 -9.57 -1.0 0
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430570 135170636 1 ClN3C13H16 AB3C13D16 37.56 3.11 -9.46 -0.67 0
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430571 135170637 1 ON2C8H8 AB2C8D8 59.4 2.16 -10.34 -0.2 0
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430572 135170638 1 F3N3C14H16 A3B3C14D16 -115.48 2.43 -9.65 -1.08 0
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430573 135170639 1 SN2C7H10 AB2C7D10 23.83 5.51 -8.3 0.26 0
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430574 135170640 1 ON2F3H11C13 AB2C3D11E13 -143.69 3.85 -9.76 -0.76 0
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430575 135170641 1 NO3C10H15 AB3C10D15 -127.46 3.45 -9.79 -0.53 0
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430576 135170642 1 NOC10H15 ABC10D15 -35.24 4.02 -9.56 0.14 0
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430577 135170643 1 NO3C13H21 AB3C13D21 -145.79 4.36 -9.71 -0.47 0
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430578 135170644 1 NSC7H9 ABC7D9 43.29 3.19 -9.06 -0.25 0
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430579 135170645 1 NSC8H11 ABC8D11 36.38 2.94 -9.02 -0.23 0
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430580 135170646 1 NSC8H11 ABC8D11 28.59 3.28 -9.03 -0.17 0