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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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11113 111069 1 OC14H22 AB14C22 -47.37 2.58 -8.73 0.36 0
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11114 111085 1 ClON2C13H19 ABC2D13E19 -55.62 4.87 -8.57 0.26 0
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11115 111087 1 NO6C14H19 AB6C14D19 -244.96 6.26 -9.21 0.1 0
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11116 111123 6 COH2 ABC2 -260.69 2.69 -10.2 -0.26 0
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11117 111149 1 O2N3C16H24 A2B3C16D24 -45.82 1.67 0.0 0.0 1
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11118 111160 1 N2Na2O11C22H26 A2B2C11D22E26 -598.55 4.43 -7.9 -0.48 0
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11119 111167 1 ON2H14C18 AB2C14D18 72.18 5.15 -8.29 -1.66 0
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11120 111259 1 N2O2C18H31 A2B2C18D31 -68.57 2.07 0.0 0.0 1
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11121 111263 3 C5H6 A5B6 83.89 0.23 -9.38 1.24 0
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11122 111264 3 NC8H17 AB8C17 -71.47 2.04 -8.73 1.46 0
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11123 111284 1 N2O17C28H40 A2B17C28D40 -793.46 7.96 -10.0 0.07 0
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11124 111309 1 O2N3C8H13 A2B3C8D13 -69.62 4.69 -9.35 0.23 0
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11125 111311 1 NOC11H21 ABC11D21 -75.55 1.45 -8.34 2.7 0
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11126 111312 1 O2C9H16 A2B9C16 -120.08 1.91 -10.61 0.88 0
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11127 111313 1 O2C9H16 A2B9C16 -118.1 2.01 -10.61 0.9 0
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11128 111319 1 SO8C31H42 AB8C31D42 -372.54 4.69 -9.83 -0.77 0
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11129 111333 1 N3O7C19H19 A3B7C19D19 -175.82 9.16 -9.72 -1.34 0
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11130 111368 1 OBr2C3H4 AB2C3D4 -21.8 2.12 -10.61 -1.17 0
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11131 111382 1 NC24H29 AB24C29 29.56 1.59 -8.0 -0.3 0
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11132 111405 2 OC5H9 AB5C9 -112.24 2.01 -10.13 0.99 0
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11133 111416 1 OC17H28 AB17C28 -84.49 3.78 -9.71 0.79 0
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11134 111431 1 PBr2Cl3O4C11H20 AB2C3D4E11F20 -306.68 1.77 -10.75 -0.65 0
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11135 111432 1 CaNSO6C8H15 ABCD6E8F15 -322.04 1.65 -9.23 -0.11 0
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11136 111433 1 Cl2O3H8C9 A2B3C8D9 -132.88 3.13 -9.96 -0.89 0
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11137 111448 1 SO8C12H22 AB8C12D22 -376.08 4.53 -9.1 0.1 0
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11138 111453 1 NSNa2O7C22H41 ABC2D7E22F41 -401.84 29.19 -8.47 -2.25 0
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11139 111455 1 NOC17H23 ABC17D23 -36.64 2.14 -8.62 -0.71 0
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11140 111457 1 O11C12H18 A11B12C18 -500.16 4.52 -10.46 -0.22 0
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11141 111461 1 Cl2N2O3C19H44 A2B2C3D19E44 -172.08 37.28 -5.97 -1.39 0
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11142 111463 1 Cl2N2O3C21H48 A2B2C3D21E48 -255.42 3.06 -8.57 1.62 0
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11143 111464 1 N2O3C21H46 A2B3C21D46 -193.67 2.48 -8.46 1.75 0
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11144 111465 1 Cl2O3C13H26 A2B3C13D26 -193.45 3.05 -9.84 0.53 0
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11145 111466 1 Cl3F6O11C28H33 A3B6C11D28E33 -812.92 3.31 -10.67 -1.9 0
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11146 111467 2 O3C18H38 A3B18C38 -453.48 6.89 -10.6 0.86 0
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11147 111468 2 O8C15H30 A8B15C30 -830.95 1.17 -10.19 -0.35 0
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11148 111469 2 O8C17H33 A8B17C33 -884.34 9.78 -9.74 0.0 0
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11149 111471 1 ClON2C13H19 ABC2D13E19 -53.47 5.15 -8.05 -0.09 0
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11150 111495 1 S2N4O8C57H94 A2B4C8D57E94 -415.78 12.95 -8.67 -2.26 0
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11151 111497 1 ClS2N3O7H14C17 AB2C3D7E14F17 -202.88 9.07 -8.82 -1.65 0
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11152 111505 1 N2O3C20H39 A2B3C20D39 -179.65 4.19 0.0 0.0 1
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11153 111507 1 N2O3C15H29 A2B3C15D29 -152.01 3.67 0.0 0.0 1
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11154 111508 1 NOC18H39 ABC18D39 -124.22 2.9 -9.42 2.41 0
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11156 111520 1 NS2O7H21C23 AB2C7D21E23 -217.12 11.08 -9.11 -1.18 0
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11157 111521 1 NaO3C6H13 AB3C6D13 -165.83 8.51 -7.98 0.37 0
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11158 111522 1 ClNNaSH3O4C6 ABCDE3F4G6 -98.34 6.91 -8.26 -1.37 0
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11159 111523 1 ClNSH4O4C6 ABCD4E4F6 -55.16 5.09 -9.7 -1.84 0
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11160 111533 1 PN2O5C22H45 AB2C5D22E45 -333.69 5.38 -9.04 0.81 0
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11161 111539 1 N3O4C9H13 A3B4C9D13 -55.34 2.68 -9.79 -1.49 0
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11162 111541 1 N3O6C33H49 A3B6C33D49 -178.51 4.06 -9.17 -1.75 0
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11163 111542 1 O6H24C29 A6B24C29 -148.85 8.45 -8.88 -0.52 0
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11164 111543 1 NSO4C13H20 ABC4D13E20 -86.48 7.69 0.0 0.0 -1
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11165 111544 1 SC4O4N5H9 AB4C4D5E9 -144.47 4.71 -10.09 -1.09 0
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11166 111545 1 NaO2H3N4C5 AB2C3D4E5 -84.44 7.6 -8.5 0.16 0
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11167 111547 1 OC13H16 AB13C16 -34.54 4.7 -9.43 -0.48 0
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11168 111550 1 TiO8C38H70 AB8C38D70 -449.7 12.83 -7.34 -1.02 0
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11169 111551 3 OC6H10 AB6C10 -126.43 6.92 -9.79 0.63 0
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11170 111552 1 ON2H16C18 AB2C16D18 48.42 0.62 -8.52 -1.18 0
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11171 111553 1 ClON2C16H25 ABC2D16E25 -20.3 10.16 -8.5 -0.73 0
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11172 111563 1 ClNO3C9H10 ABC3D9E10 -117.67 3.15 -9.45 -0.83 0
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11173 111566 1 N4S4C27H28 A4B4C27D28 104.8 3.34 -8.34 -0.22 0
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11174 111567 1 N4C7H18 A4B7C18 8.04 0.94 -8.88 2.29 0
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11176 111573 1 S3O4N5H39C40 A3B4C5D39E40 9.99 10.13 -8.13 -1.44 0
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11177 111574 1 S3O4N5C40H40 A3B4C5D40E40 52.58 7.85 0.0 0.0 1
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11178 111575 1 O2N3S3C20H29 A2B3C3D20E29 -51.16 8.15 -8.23 -0.77 0
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11179 111576 1 N2O2S3C14H14 A2B2C3D14E14 -26.12 8.65 -8.37 -0.86 0
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11180 111585 3 OC6H10 AB6C10 -127.78 4.99 -9.76 0.55 0
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11181 111592 1 ClNH16C17 ABC16D17 55.18 7.16 -8.7 -1.09 0
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11182 111593 1 NH16C17 AB16C17 62.49 2.49 0.0 0.0 1
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11183 111596 1 NO3C11H15 AB3C11D15 -107.95 1.92 -9.34 -0.77 0
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11184 111600 1 BrSN2C13H29 ABC2D13E29 -52.39 2.73 -8.7 0.43 0
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11185 111602 1 NNaO2S2C7H12 ABC2D2E7F12 -124.11 9.46 -8.84 -0.52 0
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11186 111604 2 NC7H8 AB7C8 95.35 2.15 -9.51 -0.08 2
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11187 111609 2 OC4H7 AB4C7 -97.29 2.19 -10.56 -0.08 0
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11188 111610 1 O2C11H18 A2B11C18 -25.66 2.16 -10.15 0.0 0
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11189 111616 1 PO7C8H21 AB7C8D21 -403.56 4.92 -9.95 0.76 0
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11190 111624 1 Cl2C21H34 A2B21C34 -73.3 1.03 -9.21 -0.3 0
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11192 111655 1 O5C13H28 A5B13C28 -276.19 4.16 -10.29 0.58 0
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11193 111689 1 S2O7C14H26 A2B7C14D26 -314.42 3.83 -9.22 0.13 0
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11194 111690 1 NSCl2O6H7C12 ABC2D6E7F12 -120.97 4.7 -9.76 -1.69 0
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11195 111695 1 NSO3C16H19 ABC3D16E19 -91.34 3.03 -8.22 -0.74 0
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11196 111706 1 OC14H28 AB14C28 -91.64 2.06 -9.71 1.1 0
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11197 111716 1 N2O3C40H80 A2B3C40D80 -300.83 5.33 -9.36 0.57 0
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11198 111729 1 S3N4C8H20 A3B4C8D20 22.4 4.1 -8.5 -0.47 0
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11199 111740 1 O4C15H20 A4B15C20 -173.89 6.65 -10.59 -1.24 0
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11200 111781 1 SO2C7H8 AB2C7D8 -39.28 1.86 -8.57 0.02 0
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11201 111782 1 SN4O6C18H30 AB4C6D18E30 -216.89 5.66 -9.36 -0.93 0
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11202 111819 1 Cl2N4C42H59 A2B4C42D59 269.04 3.09 0.0 0.0 -1
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11203 111820 2 N2C21H29 A2B21C29 118.27 3.68 -8.05 -1.42 0
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11205 111822 2 SN2O3C10H13 AB2C3D10E13 -130.37 8.45 -8.34 -2.12 0
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11206 111832 2 O5C14H29 A5B14C29 -565.11 4.84 -10.94 0.65 0
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11207 111882 1 NC19H41 AB19C41 -91.89 1.99 -9.25 3.56 0
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11208 111885 1 O3C15H32 A3B15C32 -205.64 1.8 -10.24 1.45 0
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11209 111899 2 SN3O3C28H29 AB3C3D28E29 -0.67 4.01 -7.91 -1.75 0
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11210 111900 1 ClPSN3O3C10H19 ABCD3E3F10G19 -181.59 2.15 -9.37 -0.18 0
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11211 111901 1 BrO2N3C6H6 AB2C3D6E6 12.29 4.6 -9.59 -1.42 0
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11212 111906 1 ClSN2O2C11F11H16 ABC2D2E11F11G16 -640.96 10.58 -8.53 -1.54 0
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11213 111908 1 ISN2O2C11F11H16 ABC2D2E11F11G16 -622.67 11.49 -7.57 -1.21 0
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11214 111933 1 Na2S2N6O9H24C28 A2B2C6D9E24F28 -222.75 41.88 -8.05 -1.97 0
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11215 111934 1 S2N6O9H26C28 A2B6C9D26E28 -180.22 12.96 -8.64 -1.65 0
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11216 111999 1 O2C11H24 A2B11C24 -138.24 2.96 -9.89 1.9 0