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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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442939 135257003 1 P3S3N11O18C54H71 A3B3C11D18E54F71 -764.21 14.28 0.0 0.0 0
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442940 135257005 1 N3P3C10O12H18 A3B3C10D12E18 -704.76 9.93 -9.89 -0.76 0
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442941 135257008 1 S2P3N8O21C32H53 A2B3C8D21E32F53 -1014.55 8.59 -9.11 -1.52 0
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442942 135257009 1 S2N3O7C18H37 A2B3C7D18E37 -343.81 2.04 -8.94 -1.02 0
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442943 135257010 1 SP2N3O13C21H31 AB2C3D13E21F31 -640.78 5.37 -8.75 -0.33 1
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442944 135257011 1 PSN2O10C21H28 ABC2D10E21F28 -398.58 5.04 0.0 0.0 1
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442945 135257012 1 SP2N5O12C22H30 AB2C5D12E22F30 -497.46 14.4 0.0 0.0 0
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442946 135257013 1 SP2N5O12C22H31 AB2C5D12E22F31 -550.18 3.01 -8.53 -0.4 0
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442947 135257014 1 N3P3O15C16H24 A3B3C15D16E24 -827.16 4.5 -9.72 -1.16 0
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442948 135257015 2 NO4H28C36 AB4C28D36 -69.27 4.66 -8.52 -2.25 0
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442949 135257021 1 N2O2H16C17 A2B2C16D17 -2.56 2.07 -8.85 -1.01 0
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442950 135257068 1 OSN2C5H10 ABC2D5E10 -4.03 4.51 -8.73 -0.24 1
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442951 135257071 1 PO4N5C14H17 AB4C5D14E17 -95.08 0.89 0.0 0.0 0
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442952 135257073 1 ClOSN7C21H26 ABCD7E21F26 30.9 5.05 -8.54 -0.86 0
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442953 135257075 1 F3O3N6C19H21 A3B3C6D19E21 -174.05 0.96 -8.34 -0.67 0
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442954 135257117 1 NOC10H19 ABC10D19 -67.56 4.54 -8.38 0.76 0
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442955 135257118 1 ClOSN7C22H26 ABCD7E22F26 64.02 3.02 -8.74 -1.08 0
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442956 135257120 1 O2N3C11H19 A2B3C11D19 -99.74 2.61 -8.97 0.07 0
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442957 135257129 1 NO2C10H19 AB2C10D19 -105.04 2.06 -9.03 2.06 0
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442958 135257133 1 ClO2N5C23H28 AB2C5D23E28 -5.82 4.04 -8.23 -0.47 0
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442959 135257143 1 NO2C16H21 AB2C16D21 -58.49 1.57 -8.32 0.24 0
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442960 135257145 1 ClO2N5C15H18 AB2C5D15E18 -47.79 6.35 -7.74 -0.55 0
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442961 135257149 1 ClON3C14H16 ABC3D14E16 93.12 3.56 -8.38 -0.61 0
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442962 135257150 1 ClON3C14H14 ABC3D14E14 104.22 4.87 -8.44 -0.67 0
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442963 135257151 1 ClOSN7C22H28 ABCD7E22F28 28.69 1.0 -8.61 -0.85 0
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442964 135257153 1 ON2C10H20 AB2C10D20 -64.49 5.06 -8.63 1.25 0
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442965 135257155 1 O2N3F4C9H11 A2B3C4D9E11 -285.6 3.8 -9.65 -0.51 0
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442966 135257157 1 NOC15H19 ABC15D19 6.0 2.28 -8.95 0.22 0
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442967 135257159 1 F3O3N6C19H19 A3B3C6D19E19 -221.89 6.81 -8.93 -1.27 0
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442968 135257163 1 O2N6C13H18 A2B6C13D18 10.52 3.74 -9.05 -0.29 0
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442969 135257165 1 O2N3C10H17 A2B3C10D17 -75.67 1.74 -8.96 0.5 0
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442970 135257166 1 O2F3N3C9H12 A2B3C3D9E12 -248.8 4.47 -9.63 -0.4 0
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442971 135257201 1 Cl2O2S2N5C25H31 A2B2C2D5E25F31 -14.67 7.04 -8.56 -1.02 0
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442972 135257203 1 OSCl2N5C21H23 ABC2D5E21F23 29.0 6.41 -8.51 -0.95 0
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442973 135257217 1 O2N3C10H15 A2B3C10D15 -69.99 2.95 -9.2 -0.15 0
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442974 135257219 1 ClO2N5C16H20 AB2C5D16E20 -51.66 6.76 -7.67 -0.51 0
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442975 135257223 1 O2N4C21H42 A2B4C21D42 -144.92 2.33 -8.66 1.25 0
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442976 135257224 1 SO2N5C14H21 AB2C5D14E21 -25.61 7.04 -8.37 -0.26 0
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442977 135257225 1 O2N5H27C32 A2B5C27D32 77.86 5.55 -9.14 -1.3 0
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442978 135257227 1 OC9H20 AB9C20 -80.48 1.6 -9.64 2.29 0
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442979 135257228 1 ON4C22H44 AB4C22D44 -70.54 3.26 -8.29 2.19 0
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442980 135257231 1 N4O4H16C27 A4B4C16D27 31.51 8.32 -7.55 -1.02 0
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442981 135257259 1 NOC11H13 ABC11D13 -16.75 3.64 -8.58 0.32 0
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442982 135257266 1 ON2C10H18 AB2C10D18 -56.02 3.75 -8.3 1.13 0
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442983 135257270 1 SN2H16C24 AB2C16D24 103.32 2.72 -7.76 -0.52 0
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442984 135257274 1 ON3C12H15 AB3C12D15 -29.17 6.33 -8.55 -0.11 0
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442985 135257275 3 N2H18C25 A2B18C25 313.85 2.34 -7.73 -0.57 0
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442986 135257276 1 N2O2C7H8 A2B2C7D8 -53.88 2.29 -8.47 -0.07 0
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442987 135257292 2 ON2C8H9 AB2C8D9 -5.5 2.76 -8.37 -0.06 0
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442988 135257295 1 N5H63C68 A5B63C68 265.35 7.33 -8.05 -1.33 0
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442989 135257296 1 N7H65C70 A7B65C70 237.15 2.91 -7.82 -0.72 0
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442990 135257298 1 ClON4C23H27 ABC4D23E27 6.03 2.78 -8.47 -0.64 0
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442991 135257303 1 ClON6C24H25 ABC6D24E25 85.79 5.16 -8.63 -0.96 0
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442992 135257304 1 NC15H23 AB15C23 29.48 2.61 -9.53 1.03 0
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442993 135257332 1 O2N5C17H27 A2B5C17D27 -75.6 3.4 -8.28 -0.42 0
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442994 135257334 1 ClOSN7C20H24 ABCD7E20F24 54.33 5.73 -8.7 -1.05 0
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442995 135257338 1 BrON4C15H19 ABC4D15E19 1.71 5.46 -8.9 -0.8 0
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442996 135257347 1 N5C38H41 A5B38C41 171.24 0.44 -7.78 -0.09 0
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442997 135257348 1 N5H43C44 A5B43C44 157.64 3.63 -7.81 -0.21 0
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442998 135257351 1 N2O3H64C72 A2B3C64D72 117.74 6.94 -7.94 -0.5 0
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442999 135257352 1 N5C38H43 A5B38C43 90.08 2.92 -7.64 -0.07 0
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443000 135257353 1 SN3H37C47 AB3C37D47 184.31 1.55 -7.79 -0.6 0
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443001 135257355 1 ON5H35C46 AB5C35D46 180.19 6.02 -8.27 -1.3 0
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443002 135257357 1 ON3C11H23 AB3C11D23 -55.17 3.47 -8.52 2.03 0
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443003 135257358 1 ON3C11H21 AB3C11D21 -51.85 2.42 -8.52 0.84 0
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443004 135257359 1 N3O3C13H25 A3B3C13D25 -158.34 6.89 -9.36 0.07 0
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443005 135257360 1 ON2C9H16 AB2C9D16 -52.5 4.69 -8.52 1.21 0
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443006 135257361 1 O2N3C10H15 A2B3C10D15 -84.32 2.96 -8.95 -0.11 0
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443007 135257362 1 ON2C9H16 AB2C9D16 -55.98 3.74 -8.64 1.12 0
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443008 135257363 1 ON2C10H18 AB2C10D18 -59.82 4.2 -8.41 1.1 0
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443009 135257389 1 ON4H38C40 AB4C38D40 85.35 2.45 -7.74 -0.31 0
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443010 135257394 1 N5H41C54 A5B41C54 233.56 3.23 -7.93 -0.8 0
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443011 135257407 1 N5C44H45 A5B44C45 132.72 3.69 -8.15 -0.49 0
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443012 135257408 1 SN4H36C51 AB4C36D51 201.12 1.52 -7.72 -0.59 0
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443013 135257409 2 N2H19C20 A2B19C20 152.84 3.12 -7.8 0.09 0