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Record Count: 438090
|
Id
|
Cidd
|
Fcv
|
Redu
|
Stoi
|
Heat Of Formation
|
Dipole
|
Homo
|
Lumo
|
Charge
|
|
|
121062 |
50754454 |
1 |
SO2N4C16H16 |
AB2C4D16E16 |
13.54 |
3.38 |
-9.18 |
-1.43 |
0 |
|
|
121063 |
50754455 |
1 |
SO2N4C17H18 |
AB2C4D17E18 |
8.1 |
3.6 |
-9.16 |
-1.43 |
0 |
|
|
121064 |
50754506 |
1 |
SO2N4H20C22 |
AB2C4D20E22 |
40.94 |
3.31 |
-9.2 |
-1.5 |
0 |
|
|
121065 |
50754508 |
1 |
O3N4C24H26 |
A3B4C24D26 |
-3.25 |
5.15 |
-8.29 |
-0.72 |
0 |
|
|
121066 |
50754591 |
2 |
OSN2H7C9 |
ABC2D7E9 |
65.98 |
3.46 |
-9.07 |
-1.4 |
0 |
|
|
121067 |
50754602 |
1 |
OSN4C20H20 |
ABC4D20E20 |
78.6 |
2.74 |
-8.35 |
-0.84 |
0 |
|
|
121068 |
50754726 |
1 |
ClN3O3H16C18 |
AB3C3D16E18 |
-18.75 |
6.96 |
-9.54 |
-0.71 |
0 |
|
|
121069 |
50754773 |
1 |
SO3N5C25H25 |
AB3C5D25E25 |
-19.36 |
5.15 |
-8.82 |
-1.11 |
0 |
|
|
121070 |
50754821 |
1 |
O2N3C14H23 |
A2B3C14D23 |
-62.09 |
6.01 |
-9.86 |
-0.51 |
0 |
|
|
121071 |
50754948 |
1 |
O2N3C16H19 |
A2B3C16D19 |
-13.84 |
6.18 |
-9.63 |
-0.49 |
0 |
|
|
121072 |
50754997 |
1 |
ClO2N3C13H14 |
AB2C3D13E14 |
-15.91 |
5.56 |
-9.91 |
-0.66 |
0 |
|
|
121073 |
50754998 |
1 |
ClO2N3C14H16 |
AB2C3D14E16 |
-22.07 |
5.53 |
-9.88 |
-0.64 |
0 |
|
|
121074 |
50755012 |
1 |
O3N4C18H18 |
A3B4C18D18 |
11.76 |
5.59 |
-9.7 |
-0.52 |
0 |
|
|
121075 |
50755076 |
1 |
SO2N6C18H20 |
AB2C6D18E20 |
-10.31 |
1.66 |
-8.48 |
-1.1 |
0 |
|
|
121076 |
50755084 |
1 |
ClO2N3H16C18 |
AB2C3D16E18 |
15.49 |
4.88 |
-9.78 |
-0.7 |
0 |
|
|
121077 |
50755101 |
1 |
ON3C21H25 |
AB3C21D25 |
-6.31 |
2.04 |
-8.82 |
-0.58 |
0 |
|
|
121078 |
50755102 |
1 |
SN4O4C21H22 |
AB4C4D21E22 |
-97.87 |
5.73 |
-7.89 |
-0.96 |
0 |
|
|
121079 |
50755103 |
1 |
FSO2N4H17C19 |
ABC2D4E17F19 |
-67.7 |
2.96 |
-8.01 |
-1.09 |
0 |
|
|
121080 |
50755119 |
1 |
O3N4C16H16 |
A3B4C16D16 |
13.37 |
3.22 |
-9.69 |
-0.61 |
0 |
|
|
121081 |
50755128 |
1 |
O2N3H19C20 |
A2B3C19D20 |
42.97 |
5.28 |
-9.51 |
-0.52 |
0 |
|
|
121082 |
50755266 |
1 |
FN3O3C19H22 |
AB3C3D19E22 |
-153.72 |
2.88 |
-9.39 |
-0.59 |
0 |
|
|
121083 |
50755297 |
1 |
ClN3O3H20C21 |
AB3C3D20E21 |
-87.64 |
4.47 |
-9.15 |
-0.76 |
0 |
|
|
121084 |
50755335 |
1 |
ON7C21H23 |
AB7C21D23 |
88.41 |
4.71 |
-8.88 |
-1.2 |
0 |
|
|
121085 |
50755364 |
1 |
N3O3C18H23 |
A3B3C18D23 |
-119.22 |
5.68 |
-9.64 |
-0.71 |
0 |
|
|
121086 |
50755372 |
1 |
ClN3O3H20C21 |
AB3C3D20E21 |
-96.95 |
5.37 |
-8.62 |
-0.9 |
0 |
|
|
121087 |
50755392 |
1 |
ClN3O3H20C21 |
AB3C3D20E21 |
-89.35 |
5.31 |
-8.49 |
-0.91 |
0 |
|
|
121088 |
50755393 |
1 |
Cl2N3O4H17C20 |
A2B3C4D17E20 |
-118.47 |
3.95 |
-8.59 |
-0.86 |
0 |
|
|
121089 |
50755394 |
1 |
ClN3O4C18H22 |
AB3C4D18E22 |
-157.11 |
8.83 |
-9.72 |
-0.83 |
0 |
|
|
121090 |
50755492 |
1 |
ClFN3O3H17C20 |
ABC3D3E17F20 |
-131.52 |
7.67 |
-8.88 |
-1.07 |
0 |
|
|
121091 |
50755493 |
1 |
SO2N4H20C22 |
AB2C4D20E22 |
47.85 |
7.5 |
-9.09 |
-1.26 |
0 |
|
|
121092 |
50755494 |
1 |
SO2N4H18C22 |
AB2C4D18E22 |
68.55 |
7.37 |
-8.92 |
-1.52 |
0 |
|
|
121093 |
50755495 |
1 |
OSN5H13C21 |
ABC5D13E21 |
152.28 |
5.81 |
-8.89 |
-1.57 |
0 |
|
|
121094 |
50755543 |
1 |
O2S2N5H15C22 |
A2B2C5D15E22 |
114.14 |
3.36 |
-8.66 |
-1.41 |
0 |
|
|
121095 |
50755597 |
1 |
N3O4C22H23 |
A3B4C22D23 |
-47.66 |
5.9 |
-9.02 |
-1.13 |
0 |
|
|
121096 |
50755704 |
1 |
SO2N4C18H24 |
AB2C4D18E24 |
-55.88 |
0.92 |
-8.69 |
-0.66 |
0 |
|
|
121097 |
50755839 |
1 |
ClO2N4C15H17 |
AB2C4D15E17 |
-56.91 |
3.66 |
-9.47 |
-0.69 |
0 |
|
|
121098 |
50755840 |
1 |
ClO2N4C17H21 |
AB2C4D17E21 |
-64.35 |
2.69 |
-9.4 |
-0.62 |
0 |
|
|
121099 |
50755841 |
1 |
O2N5C19H19 |
A2B5C19D19 |
-8.02 |
1.61 |
-9.28 |
-0.8 |
0 |
|
|
121100 |
50755897 |
1 |
O3N5C23H23 |
A3B5C23D23 |
23.61 |
2.52 |
-8.96 |
-0.99 |
0 |
|
|
121101 |
50755907 |
1 |
ClO2N3H14C17 |
AB2C3D14E17 |
19.44 |
6.42 |
-9.85 |
-1.23 |
0 |
|
|
121102 |
50755982 |
1 |
N2O5C13H14 |
A2B5C13D14 |
-163.89 |
8.34 |
-8.62 |
-0.98 |
0 |
|
|
121103 |
50756080 |
1 |
SN3O4C25H27 |
AB3C4D25E27 |
-93.59 |
7.37 |
-8.47 |
-0.55 |
0 |
|
|
121104 |
50756081 |
1 |
SO2N3C27H33 |
AB2C3D27E33 |
-45.7 |
3.05 |
-8.5 |
-0.57 |
0 |
|
|
121105 |
50756118 |
1 |
SN3O3C22H31 |
AB3C3D22E31 |
-109.04 |
3.72 |
-8.48 |
-0.55 |
0 |
|
|
121106 |
50756135 |
1 |
ClSO2N3C24H26 |
ABC2D3E24F26 |
-42.24 |
6.6 |
-8.52 |
-0.58 |
0 |
|
|
121107 |
50756136 |
1 |
SN3O3C26H31 |
AB3C3D26E31 |
-77.89 |
2.38 |
-8.47 |
-0.54 |
0 |
|
|
121108 |
50756151 |
1 |
FSO2N3C24H26 |
ABC2D3E24F26 |
-73.43 |
4.68 |
-8.67 |
-0.82 |
0 |
|
|
121109 |
50756179 |
1 |
SO2N3C26H31 |
AB2C3D26E31 |
-38.99 |
7.1 |
-8.4 |
-0.43 |
0 |
|
|
121110 |
50756282 |
1 |
SN3O3C24H35 |
AB3C3D24E35 |
-127.75 |
2.53 |
-8.43 |
-0.4 |
0 |
|
|
121111 |
50756315 |
1 |
FSO3N4C24H25 |
ABC3D4E24F25 |
-92.49 |
10.04 |
-8.88 |
-0.82 |
0 |
|
|
121112 |
50756357 |
1 |
SN4O4C24H26 |
AB4C4D24E26 |
-80.01 |
8.17 |
-8.13 |
-0.88 |
0 |
|
|
121113 |
50756383 |
1 |
FSO2N4C24H25 |
ABC2D4E24F25 |
-58.13 |
10.39 |
-9.05 |
-0.9 |
0 |
|
|
121114 |
50756407 |
1 |
N3O5C27H33 |
A3B5C27D33 |
-143.23 |
7.52 |
-8.57 |
-0.28 |
0 |
|
|
121115 |
50756408 |
1 |
N3O5C27H33 |
A3B5C27D33 |
-140.19 |
7.95 |
-7.97 |
-0.45 |
0 |
|
|
121116 |
50756433 |
3 |
NOC8H9 |
ABC8D9 |
-56.0 |
4.93 |
-8.94 |
-0.52 |
0 |
|
|
121117 |
50756457 |
1 |
O3N4C27H40 |
A3B4C27D40 |
-111.13 |
2.57 |
-8.62 |
-0.34 |
0 |
|
|
121118 |
50756459 |
1 |
FN3O3C24H26 |
AB3C3D24E26 |
-102.31 |
8.18 |
-8.92 |
-0.52 |
0 |
|
|
121119 |
50756475 |
1 |
ClN3O3C25H28 |
AB3C3D25E28 |
-71.62 |
2.64 |
-8.86 |
-0.5 |
0 |
|
|
121120 |
50756544 |
1 |
O3N4H28C29 |
A3B4C28D29 |
-8.98 |
3.63 |
-8.53 |
-0.49 |
0 |
|
|
121121 |
50756628 |
1 |
O2N4H28C29 |
A2B4C28D29 |
30.22 |
3.22 |
-9.01 |
-0.38 |
0 |
|
|
121122 |
50756629 |
1 |
O3N4C31H32 |
A3B4C31D32 |
-20.62 |
3.65 |
-8.7 |
-0.47 |
0 |
|
|
121123 |
50756639 |
2 |
ON2C15H15 |
AB2C15D15 |
24.62 |
3.29 |
-8.96 |
-0.42 |
0 |
|
|
121124 |
50756648 |
1 |
N4O4C27H32 |
A4B4C27D32 |
-82.36 |
2.9 |
-8.95 |
-0.38 |
0 |
|
|
121125 |
50756670 |
1 |
FO3N4H27C29 |
AB3C4D27E29 |
-50.08 |
5.4 |
-9.07 |
-0.5 |
0 |
|
|
121126 |
50756743 |
1 |
ClN3O3C24H26 |
AB3C3D24E26 |
-65.92 |
2.94 |
-9.03 |
-0.7 |
0 |
|
|
121127 |
50756744 |
1 |
ClN3O3C25H28 |
AB3C3D25E28 |
-71.52 |
2.05 |
-8.92 |
-0.55 |
0 |
|
|
121128 |
50756745 |
1 |
N3O4C27H33 |
A3B4C27D33 |
-109.08 |
3.25 |
-8.79 |
-0.42 |
0 |
|
|
121129 |
50756760 |
1 |
N3O4C28H35 |
A3B4C28D35 |
-111.59 |
4.11 |
-8.66 |
-0.42 |
0 |
|
|
121130 |
50756761 |
3 |
NOC9H11 |
ABC9D11 |
-79.27 |
2.72 |
-8.89 |
-0.55 |
0 |
|
|
121131 |
50756769 |
1 |
N3O4C26H31 |
A3B4C26D31 |
-102.3 |
2.85 |
-8.8 |
-0.43 |
0 |
|
|
121132 |
50756770 |
1 |
N3O3C26H31 |
A3B3C26D31 |
-70.97 |
4.45 |
-8.78 |
-0.41 |
0 |
|
|
121133 |
50756771 |
1 |
O3N4C22H32 |
A3B4C22D32 |
-87.44 |
3.12 |
-8.81 |
-0.41 |
0 |
|
|
121134 |
50756918 |
1 |
N3O3C26H29 |
A3B3C26D29 |
-77.24 |
2.47 |
-8.5 |
-0.56 |
0 |
|
|
121135 |
50756919 |
1 |
N3O3C23H31 |
A3B3C23D31 |
-114.96 |
2.33 |
-8.46 |
-0.48 |
0 |
|
|
121136 |
50756920 |
1 |
N3O4C29H29 |
A3B4C29D29 |
-65.62 |
2.14 |
-8.37 |
-0.55 |
0 |
|
|
121137 |
50756921 |
1 |
O2N4C27H34 |
A2B4C27D34 |
-39.67 |
5.12 |
-8.27 |
-0.55 |
0 |
|
|
121138 |
50756922 |
1 |
O3N4C25H28 |
A3B4C25D28 |
-63.49 |
6.07 |
-8.71 |
-0.73 |
0 |
|
|
121139 |
50756923 |
1 |
N3O3C26H29 |
A3B3C26D29 |
-73.56 |
0.95 |
-8.44 |
-0.5 |
0 |
|
|
121140 |
50756991 |
1 |
FO2N4C27H29 |
AB2C4D27E29 |
-69.99 |
5.55 |
-8.44 |
-1.12 |
0 |
|
|
121141 |
50756995 |
1 |
BrO2N4C19H23 |
AB2C4D19E23 |
-38.43 |
3.62 |
-8.6 |
-0.8 |
0 |
|
|
121142 |
50757012 |
1 |
BrO3N4C21H23 |
AB3C4D21E23 |
-90.84 |
4.1 |
-8.61 |
-0.82 |
0 |
|
|
121143 |
50757021 |
1 |
BrSN3O4C19H20 |
ABC3D4E19F20 |
-126.82 |
2.4 |
-8.77 |
-0.98 |
0 |
|
|
121144 |
50757250 |
1 |
O3N4C22H30 |
A3B4C22D30 |
-95.83 |
3.9 |
-9.16 |
-0.76 |
0 |
|
|
121145 |
50757262 |
1 |
N3O3C26H29 |
A3B3C26D29 |
-75.25 |
7.99 |
-8.59 |
-0.42 |
0 |
|
|
121146 |
50757301 |
2 |
N2O2H11C13 |
A2B2C11D13 |
-49.15 |
4.94 |
-8.73 |
-1.16 |
0 |
|
|
121147 |
50757302 |
2 |
ON2H11C13 |
AB2C11D13 |
20.27 |
6.37 |
-8.59 |
-1.18 |
0 |
|
|
121148 |
50757318 |
1 |
O3N5C24H25 |
A3B5C24D25 |
-32.14 |
4.88 |
-8.67 |
-1.19 |
0 |
|
|
121149 |
50757377 |
1 |
O3N4C29H34 |
A3B4C29D34 |
-92.21 |
6.63 |
-8.16 |
-0.58 |
0 |
|
|
121150 |
50757403 |
1 |
F2O3N4C27H28 |
A2B3C4D27E28 |
-171.86 |
3.9 |
-8.68 |
-0.88 |
0 |
|
|
121151 |
50757404 |
1 |
FO3N4C28H31 |
AB3C4D28E31 |
-140.36 |
6.38 |
-8.33 |
-0.94 |
0 |
|
|
121152 |
50757511 |
1 |
FO3N5H18C24 |
AB3C5D18E24 |
-1.77 |
5.2 |
-9.18 |
-1.55 |
0 |
|
|
121153 |
50757571 |
1 |
BrClSN2O3H16C20 |
ABCD2E3F16G20 |
-47.65 |
1.93 |
-9.72 |
-1.68 |
0 |
|
|
121154 |
50757572 |
1 |
FN2S2O3H19C21 |
AB2C2D3E19F21 |
-86.79 |
6.14 |
-9.1 |
-1.48 |
0 |
|
|
121155 |
50757573 |
1 |
FN2S2O3C23H23 |
AB2C2D3E23F23 |
-97.0 |
8.46 |
-8.8 |
-1.67 |
0 |
|
|
121156 |
50757574 |
1 |
ClSN2O4H19C21 |
ABC2D4E19F21 |
-88.87 |
2.65 |
-9.2 |
-1.52 |
0 |
|
|
121157 |
50757575 |
1 |
ClFSN2O3H18C20 |
ABCD2E3F18G20 |
-107.06 |
2.44 |
-9.7 |
-1.64 |
0 |
|
|
121158 |
50757576 |
1 |
ClSN2O3H21C22 |
ABC2D3E21F22 |
-58.08 |
6.39 |
-9.7 |
-1.39 |
0 |
|
|
121159 |
50757577 |
1 |
FN2S2O3H21C22 |
AB2C2D3E21F22 |
-105.29 |
5.15 |
-8.45 |
-1.61 |
0 |
|
|
121160 |
50757578 |
1 |
FN2S2O3H21C22 |
AB2C2D3E21F22 |
-101.04 |
4.78 |
-8.48 |
-1.64 |
0 |
|
|
121161 |
50757627 |
1 |
ClSN2O4H21C22 |
ABC2D4E21F22 |
-95.86 |
2.73 |
-9.25 |
-1.3 |
0 |