List Systems

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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
5026 12473 1 NO2C5H5 AB2C5D5 -55.48 5.42 -9.84 -0.34 0
5027 12474 1 N3O7C42H45 A3B7C42D45 -212.34 2.15 -8.02 -1.25 0
5028 12475 1 O3C8H8 A3B8C8 -106.33 6.19 -10.96 -1.61 0
5029 12476 1 ClNO2H6C7 ABC2D6E7 -72.14 5.26 -9.22 -0.92 0
5030 12478 1 NO5C14H19 AB5C14D19 -167.73 2.21 -8.47 -0.21 0
5031 12479 2 O2C5H5 A2B5C5 -145.99 3.48 -9.18 -0.21 0
5032 12481 1 ClO2H5C7 AB2C5D7 -57.8 5.05 -9.49 -1.05 0
5033 12482 1 NSH11C13 ABC11D13 69.73 3.79 -8.92 -0.46 0
5034 12485 1 OSN2C5H6 ABC2D5E6 -21.8 2.08 -9.43 -0.91 0
5035 12488 2 HI2C3 AB2C3 94.94 0.0 -9.66 -1.72 0
5036 12490 1 O5H6C8 A5B6C8 -186.61 6.84 -10.69 -1.54 0
5037 12491 2 O2C6H7 A2B6C7 -161.14 2.17 -10.43 -0.98 0
5038 12492 1 ClSN3O3C14H20 ABC3D3E14F20 -100.58 4.31 -9.01 -1.1 0
5039 12495 1 INO2H4C6 ABC2D4E6 36.42 4.01 -10.15 -1.72 0
5041 12498 1 Cl2N5C11H17 A2B5C11D17 -2.94 4.86 -9.28 -0.67 0
5042 12500 1 C9H10 A9B10 27.99 0.96 -8.94 0.16 0
5043 12501 1 NSC7H7 ABC7D7 47.91 1.31 -9.19 -0.17 0
5045 12507 1 OC9H10 AB9C10 -2.87 1.61 -8.58 0.11 0
5046 12509 2 NOC2H5 ABC2D5 -76.01 3.86 -9.53 0.49 0
5047 12510 1 ClIH4C6 ABC4D6 30.37 0.25 -9.48 -1.1 0
5048 12511 2 OC3H4 AB3C4 -88.82 0.01 -10.3 0.09 0
5049 12512 1 OC6H14 AB6C14 -76.19 1.49 -9.61 2.46 0
5050 12513 1 IC5H11 AB5C11 -16.06 2.59 -9.58 -0.64 0
5051 12514 1 SC6H8 AB6C8 7.5 0.12 -8.95 0.23 0
5052 12516 1 O2C7H12 A2B7C12 -102.46 2.32 -10.25 0.1 0
5053 12518 1 NS2C6H13 AB2C6D13 -12.4 3.42 -8.47 0.45 0
5054 12519 1 PC6H7 AB6C7 25.18 1.77 -8.99 0.23 0
5055 12520 3 OC6H12 AB6C12 -221.67 2.35 -10.3 0.52 0
5056 12523 2 C10H21 A10B21 -105.01 0.19 -10.37 3.98 0
5058 12526 2 NOSC4H8 ABCD4E8 -111.03 5.74 -8.9 -1.11 0
5059 12527 1 IC6H13 AB6C13 -18.91 1.93 -9.75 -0.75 0
5060 12528 1 SC6H14 AB6C14 -28.88 1.88 -8.49 0.88 0
5061 12529 2 OC3H6 AB3C6 -107.23 1.73 -11.05 0.5 0
5062 12530 1 O2C13H26 A2B13C26 -147.08 4.89 -10.85 0.67 0
5063 12532 1 NC18H35 AB18C35 -56.09 3.95 -10.73 1.34 0
5064 12533 1 OC18H36 AB18C36 -92.28 2.89 -9.88 0.51 0
5066 12536 2 O3C12H16 A3B12C16 -260.13 9.17 -9.73 -0.39 0
5067 12540 1 ClSnH15C18 ABC15D18 64.58 3.63 -9.72 -0.28 0
5068 12542 1 FNOC2H4 ABCD2E4 -94.62 2.53 -10.77 0.7 0
5069 12544 1 NO5C26H43 AB5C26D43 -289.35 5.94 -10.09 0.23 0
5070 12545 1 NO2C18H19 AB2C18D19 -35.72 2.51 -8.35 -0.35 0
5071 12548 1 O6H10C15 A6B10C15 -206.62 1.77 -9.37 -1.99 0
5072 12549 6 H3C4 A3B4 95.25 0.04 -8.93 -0.14 0
5073 12550 1 N2O9C28H40 A2B9C28D40 -413.31 9.18 -8.89 -1.07 0
5074 12551 1 O2N3C9H13 A2B3C9D13 -70.28 5.84 -9.53 -0.15 0
5075 12552 1 NOC19H25 ABC19D25 -4.93 1.58 -8.71 0.17 0
5076 12553 1 NO2H15C17 AB2C15D17 -41.11 3.53 -8.64 -0.34 0
5077 12554 1 N4O5H16C19 A4B5C16D19 -4.39 2.44 -8.99 -2.5 0
5078 12555 1 ON3C19H23 AB3C19D23 43.99 1.89 -8.26 -0.19 0
5079 12557 1 ClNaSN3O5H17C19 ABCD3E5F17G19 -173.17 4.96 -9.25 -0.69 0
5080 12559 1 NO15C55H103 AB15C55D103 -767.4 2.65 -7.77 -0.06 0
5081 12560 1 NO13C37H67 AB13C37D67 -669.76 3.84 -9.0 0.32 0
5082 12561 1 NC9H13 AB9C13 4.51 1.86 -8.3 0.51 0
5083 12562 2 NH3O3C4 AB3C3D4 -49.82 5.77 -10.65 -1.64 0
5084 12563 1 H12C13 A12B13 37.93 0.61 -9.21 0.24 0
5085 12564 1 H12C13 A12B13 36.97 0.7 -9.03 -0.01 0
5086 12565 1 O3C13H16 A3B13C16 -94.78 2.3 -7.97 -0.16 0
5087 12568 1 O4H8C9 A4B8C9 -74.94 1.78 -10.24 -0.98 0
5088 12569 2 OSH5C7 ABC5D7 -18.95 0.17 -9.38 -1.49 0
5089 12571 1 O2C7H14 A2B7C14 -119.62 1.64 -10.66 0.9 0
5090 12572 1 O3N4C10H16 A3B4C10D16 -80.51 4.43 -9.29 -0.05 0
5091 12573 1 PCl2H5C6 AB2C5D6 -30.17 2.84 -9.98 -0.58 0
5092 12576 1 N2O3H6C7 A2B3C6D7 -22.61 3.21 -10.9 -1.69 0
5093 12577 1 NH3C5O5 AB3C5D5 -79.27 2.37 -11.32 -2.28 0
5094 12578 1 OC11H14 AB11C14 -37.56 3.88 -9.67 -0.37 0
5095 12581 1 NC9H9 AB9C9 42.4 3.66 -9.72 0.06 0
5096 12582 1 OC8H14 AB8C14 -44.03 3.79 -9.94 -0.21 0
5097 12584 1 O2C3H4N4 A2B3C4D4 -66.63 5.85 -10.85 -0.75 0
5098 12585 5 CH2 AB2 -7.9 0.12 -9.51 1.47 0
5099 12586 1 O2C3H6 A2B3C6 -82.75 1.58 -9.91 1.43 0
5100 12587 2 OC3H6 AB3C6 -114.63 4.8 -11.03 0.65 0
5101 12588 2 OC11H22 AB11C22 -190.13 1.73 -10.63 0.91 0
5102 12591 1 O2C19H38 A2B19C38 -183.07 2.23 -10.79 0.56 0
5103 12592 2 C12H25 A12B25 -118.09 0.09 -10.42 4.02 0
5104 12594 1 SO5C19H28 AB5C19D28 -233.15 1.51 -9.5 -0.88 0