10167 lines (10037 with data), 389.3 kB
CHEMBL365298
RDKit 3D
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$$$$
CHEMBL365298
RDKit 3D
39 42 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL365298
RDKit 3D
39 42 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL365298
RDKit 3D
39 42 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL186755
RDKit 3D
42 44 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL186755
RDKit 3D
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39 40 2 0
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M CHG 2 41 -1 42 1
M END
$$$$
CHEMBL360180
RDKit 3D
35 38 0 0 1 0 0 0 0 0999 V2000
-0.4947 2.2615 2.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5097 -0.0036 1.9597 C 0 0 0 0 0 0 0 0 0 0 0 0
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34 35 1 0
M CHG 1 34 1
M END
$$$$
CHEMBL221647
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
-0.0167 1.3781 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1709 2.0855 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3773 1.4107 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3960 0.0285 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2084 -0.6789 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.9417 -1.7385 1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 17 -1
M END
$$$$
CHEMBL221647
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
-0.0167 1.3781 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1709 2.0855 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 18 -1
M END
$$$$
CHEMBL375784
RDKit 3D
22 23 0 0 0 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 21 -1
M END
$$$$
CHEMBL375784
RDKit 3D
22 23 0 0 0 0 0 0 0 0999 V2000
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M CHG 1 22 -1
M END
$$$$
CHEMBL535596
RDKit 3D
33 36 0 0 1 0 0 0 0 0999 V2000
1.4864 2.3334 -0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2457 0.8289 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 33 1
M END
$$$$
CHEMBL535596
RDKit 3D
33 36 0 0 1 0 0 0 0 0999 V2000
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M CHG 1 33 1
M END
$$$$
CHEMBL360607
RDKit 3D
42 44 0 0 1 0 0 0 0 0999 V2000
-1.2794 1.0883 3.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.0879 5.1063 1.5973 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0657 5.7515 1.4384 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1225 5.6705 1.9101 O 0 0 0 0 0 0 0 0 0 0 0 0
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39 40 2 0
39 41 1 0
M CHG 2 41 -1 42 1
M END
$$$$
CHEMBL583950
RDKit 3D
39 42 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.8074 -4.3633 2.1742 C 0 0 0 0 0 0 0 0 0 0 0 0
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31 32 1 0
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34 35 1 0
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M CHG 1 39 1
M END
$$$$
CHEMBL183992
RDKit 3D
38 40 0 0 1 0 0 0 0 0999 V2000
0.6057 2.0735 -0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2164 0.6436 -0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0539 0.1882 1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
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29 30 1 0
30 31 2 0
31 32 1 0
31 34 1 0
32 33 2 0
35 36 2 0
35 37 1 0
M CHG 2 37 -1 38 1
M END
$$$$
CHEMBL181003
RDKit 3D
26 27 0 0 1 0 0 0 0 0999 V2000
3.2350 1.1684 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4772 -0.1401 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1011 -0.7465 -1.4987 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0822 1.4591 -4.2435 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.6125 1.2463 -7.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 26 1
M END
$$$$
CHEMBL182034
RDKit 3D
26 27 0 0 1 0 0 0 0 0999 V2000
3.2350 1.1684 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4772 -0.1401 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.6284 0.4456 -4.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0822 1.4591 -4.2435 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.6878 -0.8335 -6.5082 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1583 0.6554 -8.3179 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6125 1.2463 -7.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 26 1
M END
$$$$
CHEMBL361282
RDKit 3D
31 33 0 0 1 0 0 0 0 0999 V2000
1.9734 2.3113 -0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3832 0.9516 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3192 0.7423 -7.3382 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9995 1.2120 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 30 1
M END
$$$$
CHEMBL472254
RDKit 3D
32 35 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.2096 -4.1103 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.7881 -4.0891 2.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9722 -3.8509 0.8935 N 0 0 0 0 0 0 0 0 0 0 0 0
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4.4335 -3.1139 3.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5332 -2.3184 3.0299 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.6424 -2.7377 6.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5862 -4.5952 7.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5703 -3.7646 7.7605 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5908 -2.4205 7.4383 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6292 -1.9062 6.6846 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9737 -1.9515 6.3005 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7958 -3.0116 6.6339 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8981 -2.8040 7.4418 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1786 -1.5361 7.9158 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 2 14 1 32 1
M END
$$$$
CHEMBL485721
RDKit 3D
32 35 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1515 2.5729 -4.6914 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2318 3.8222 -3.7797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7443 3.8662 -3.4601 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1728 2.3895 -3.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0517 1.5970 -4.0877 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.4731 1.9108 -2.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8268 1.0052 -1.6226 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.8271 2.7333 0.9613 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0532 4.2440 0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$
CHEMBL485721
RDKit 3D
32 35 0 0 1 0 0 0 0 0999 V2000
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CHEMBL485721
RDKit 3D
32 35 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL485721
RDKit 3D
32 35 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL520870
RDKit 3D
39 43 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL488796
RDKit 3D
39 43 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL487973
RDKit 3D
32 35 0 0 1 0 0 0 0 0999 V2000
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M END
$$$$
CHEMBL487973
RDKit 3D
32 35 0 0 1 0 0 0 0 0999 V2000
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1.1515 2.5729 -4.6914 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.1728 2.3895 -3.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.6835 1.4720 2.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.6426 3.6423 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5612 4.3096 0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3399 4.5659 2.1898 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4884 3.8058 2.8774 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 31 1
M END
$$$$
CHEMBL487973
RDKit 3D
32 35 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3497 0.0463 -6.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2318 3.8222 -3.7797 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.1728 2.3895 -3.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.4731 1.9108 -2.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8268 1.0052 -1.6226 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.6966 0.8242 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.6544 1.4483 2.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.4234 4.2994 0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4859 4.2711 1.8106 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4067 3.1251 2.7326 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4774 2.3564 2.9171 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 31 1
M END
$$$$
CHEMBL487973
RDKit 3D
32 35 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7074 -0.4901 -1.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2318 3.8222 -3.7797 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.1728 2.3895 -3.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0517 1.5970 -4.0877 N 0 0 0 0 0 0 0 0 0 0 0 0
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3.4731 1.9108 -2.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.7031 3.5674 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4148 3.1468 0.7598 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5022 4.3305 0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0282 5.5281 1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 31 1
M END
$$$$
CHEMBL519256
RDKit 3D
31 34 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.0466 0.0586 3.3169 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4884 1.3385 2.6184 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2797 2.1594 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4522 2.5596 3.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6031 3.8033 3.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5698 3.8083 4.1845 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 30 1
M END
$$$$
CHEMBL221313
RDKit 3D
27 29 0 0 0 0 0 0 0 0999 V2000
-0.0184 1.5028 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0057 -0.6888 -1.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0229 -0.7015 1.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0538 -2.8445 2.4885 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 26 -1
M END
$$$$
CHEMBL221313
RDKit 3D
27 29 0 0 0 0 0 0 0 0999 V2000
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0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0538 -2.8445 2.4885 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5098 -3.1591 5.4234 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 27 -1
M END
$$$$
CHEMBL373766
RDKit 3D
28 28 0 0 1 0 0 0 0 0999 V2000
2.5251 1.1582 -0.4713 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.6795 -0.8260 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 2 8 -1 25 1
M END
$$$$
CHEMBL373766
RDKit 3D
28 28 0 0 1 0 0 0 0 0999 V2000
2.5240 1.1575 -0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 8 -1
M END
$$$$
CHEMBL572850
RDKit 3D
37 40 0 0 1 0 0 0 0 0999 V2000
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0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0888 -4.8071 -2.0515 N 0 0 0 0 0 0 0 0 0 0 0 0
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34 35 1 0
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M CHG 1 37 1
M END
$$$$
CHEMBL221256
RDKit 3D
26 28 0 0 0 0 0 0 0 0999 V2000
-0.0167 1.3781 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1709 2.0855 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3773 1.4107 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2084 -0.6789 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7112 -0.7071 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1714 -0.9633 1.3989 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.7113 -3.7560 1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.8805 -1.6666 1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6739 -0.9916 1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1752 -0.8954 1.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6022 -0.6222 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8969 0.1489 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0715 -0.5048 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 25 -1
M END
$$$$
CHEMBL221256
RDKit 3D
26 28 0 0 0 0 0 0 0 0999 V2000
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1.1709 2.0855 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.5052 -3.0813 1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7113 -3.7560 1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.8805 -1.6666 1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6739 -0.9916 1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.3483 0.2556 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4055 -0.3328 -0.3264 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3321 1.7158 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1575 2.3695 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8804 1.6095 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 26 -1
M END
$$$$
CHEMBL186839
RDKit 3D
40 41 0 0 1 0 0 0 0 0999 V2000
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M CHG 2 39 -1 40 1
M END
$$$$
CHEMBL575597
RDKit 3D
37 40 0 0 1 0 0 0 0 0999 V2000
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0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 37 1
M END
$$$$
CHEMBL578239
RDKit 3D
38 41 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 3 36 1 37 -1 38 1
M END
$$$$
CHEMBL475670
RDKit 3D
39 43 0 0 1 0 0 0 0 0999 V2000
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0.6897 -0.4778 -1.2066 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1002 -0.0703 -1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
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38 39 1 0
M CHG 1 38 1
M END
$$$$
CHEMBL189145
RDKit 3D
43 45 0 0 1 0 0 0 0 0999 V2000
-0.8868 0.8011 2.6931 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2067 -1.3483 3.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.4471 1.0714 2.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.9384 2.1655 0.3514 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.6181 2.7779 1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.2414 1.1879 1.7061 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.6365 -0.7553 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3899 -1.7590 0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.9927 -3.4062 -0.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
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12.6848 2.5917 2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6310 2.7761 2.7744 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0973 3.5431 1.5420 O 0 0 0 0 0 0 0 0 0 0 0 0
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28 30 1 0
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33 38 1 0
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34 35 1 0
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36 37 1 0
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40 41 2 0
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M CHG 2 42 -1 43 1
M END
$$$$
CHEMBL572851
RDKit 3D
40 43 0 0 1 0 0 0 0 0999 V2000
-0.1241 1.4085 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0
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34 35 1 0
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M CHG 2 35 1 40 1
M END
$$$$
CHEMBL189071
RDKit 3D
30 31 0 0 1 0 0 0 0 0999 V2000
-0.4947 2.2614 2.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.4275 1.1392 2.3445 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.0281 0.0563 6.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.8798 0.6948 3.9132 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.1819 1.2812 3.3713 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3360 2.0638 4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5305 2.0229 3.0831 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4568 1.0034 3.1993 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5526 0.9658 2.3574 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7217 1.9475 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7950 2.9665 1.2822 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6970 3.0017 2.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3657 -2.4474 2.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 29 1
M END
$$$$
CHEMBL487964
RDKit 3D
34 37 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1515 2.5729 -4.6914 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2318 3.8222 -3.7797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7443 3.8662 -3.4601 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1728 2.3895 -3.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0603 0.2633 -3.9854 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.7290 0.8354 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.3582 -1.3135 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5036 -0.2287 0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3996 3.1365 0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3317 3.9574 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9262 4.9777 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5883 5.1774 2.1863 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6556 4.3572 2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 34 1
M END
$$$$
CHEMBL574027
RDKit 3D
37 40 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.2597 -3.6289 0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0
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34 35 1 0
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M CHG 2 36 1 37 1
M END
$$$$
CHEMBL481421
RDKit 3D
32 35 0 0 1 0 0 0 0 0999 V2000
0.7797 -0.4283 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6245 -1.7963 -0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0191 0.1411 -6.8029 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2152 1.7251 -5.2861 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.3423 3.3249 -3.9091 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1834 2.0435 -4.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.9027 0.7555 -2.0805 O 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$
CHEMBL181479
RDKit 3D
34 36 0 0 1 0 0 0 0 0999 V2000
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M CHG 1 34 1
M END
$$$$
CHEMBL574477
RDKit 3D
40 43 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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34 35 1 0
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M END
$$$$
CHEMBL510669
RDKit 3D
27 29 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.5899 -0.6883 5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4579 0.1031 6.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5435 1.2917 6.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7969 1.5712 5.1723 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.8930 0.1033 3.4161 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0876 0.9955 3.2543 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.6277 7.0598 4.6710 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7172 8.2472 5.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 8.4723 6.2166 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.6791 6.3205 5.6597 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 27 1
M END
$$$$
CHEMBL574704
RDKit 3D
38 41 0 0 1 0 0 0 0 0999 V2000
-0.3222 1.8588 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 2 36 1 37 1
M END
$$$$
CHEMBL189202
RDKit 3D
38 39 0 0 1 0 0 0 0 0999 V2000
2.8873 0.1094 -1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4129 -1.3452 -1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 2 37 -1 38 1
M END
$$$$
CHEMBL517556
RDKit 3D
34 36 0 0 1 0 0 0 0 0999 V2000
-0.1842 2.1837 1.8041 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 33 1
M END
$$$$
CHEMBL459803
RDKit 3D
34 37 0 0 1 0 0 0 0 0999 V2000
0.2426 2.9311 2.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
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CHEMBL459597
RDKit 3D
33 35 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL472832
RDKit 3D
39 43 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL515347
RDKit 3D
38 42 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL573550
RDKit 3D
36 39 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL487149
RDKit 3D
35 38 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL519053
RDKit 3D
39 43 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL487353
RDKit 3D
36 39 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL577824
RDKit 3D
39 42 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL584393
RDKit 3D
44 48 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL471827
RDKit 3D
28 30 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL456418
RDKit 3D
31 33 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL188510
RDKit 3D
41 45 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL188510
RDKit 3D
41 45 0 0 1 0 0 0 0 0999 V2000
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M END
$$$$
CHEMBL188510
RDKit 3D
41 45 0 0 1 0 0 0 0 0999 V2000
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M CHG 1 40 1
M END
$$$$
CHEMBL188510
RDKit 3D
41 45 0 0 1 0 0 0 0 0999 V2000
0.2838 5.4730 4.0162 C 0 0 0 0 0 0 0 0 0 0 0 0
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$$$$
CHEMBL516172
RDKit 3D
35 39 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL188350
RDKit 3D
41 42 0 0 1 0 0 0 0 0999 V2000
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M CHG 2 40 -1 41 1
M END
$$$$
CHEMBL365059
RDKit 3D
28 28 0 0 1 0 0 0 0 0999 V2000
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CHEMBL534477
RDKit 3D
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CHEMBL534477
RDKit 3D
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$$$$
CHEMBL188934
RDKit 3D
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CHEMBL188934
RDKit 3D
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CHEMBL188934
RDKit 3D
41 43 0 0 1 0 0 0 0 0999 V2000
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CHEMBL188934
RDKit 3D
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M CHG 1 40 -1
M END
$$$$
CHEMBL361542
RDKit 3D
28 29 0 0 1 0 0 0 0 0999 V2000
1.6664 -1.2680 -2.9165 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 28 1
M END
$$$$
CHEMBL369736
RDKit 3D
28 29 0 0 1 0 0 0 0 0999 V2000
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10.7372 0.1045 1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5369 -0.1268 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.0037 -0.5513 -2.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2940 0.6240 -2.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5569 0.8343 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 28 1
M END
$$$$
CHEMBL572609
RDKit 3D
39 42 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 39 1
M END
$$$$
CHEMBL481422
RDKit 3D
35 38 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 34 1
M END
$$$$
CHEMBL363770
RDKit 3D
40 41 0 0 1 0 0 0 0 0999 V2000
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3.0076 -4.3599 -3.5406 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7413 3.1429 0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.2823 3.5349 2.3583 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.8182 3.7368 2.8248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6789 3.5953 2.4337 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.1194 2.9638 5.1616 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1836 1.9838 4.6635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4630 3.4100 6.5842 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 2 20 -1 40 1
M END
$$$$
CHEMBL188062
RDKit 3D
32 34 0 0 1 0 0 0 0 0999 V2000
-0.1386 2.5115 2.1065 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.8439 0.8620 3.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.4135 2.5005 0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.8556 3.0697 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 31 1
M END
$$$$
CHEMBL188062
RDKit 3D
32 34 0 0 1 0 0 0 0 0999 V2000
-0.4947 2.2614 2.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5097 -0.0036 1.9597 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.9901 0.2530 3.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4275 1.1392 2.3445 O 0 0 0 0 0 0 0 0 0 0 0 0
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$$$$
CHEMBL575154
RDKit 3D
41 44 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL584397
RDKit 3D
41 44 0 0 1 0 0 0 0 0999 V2000
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CHEMBL180204
RDKit 3D
33 35 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL573788
RDKit 3D
40 43 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL514738
RDKit 3D
34 37 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL573787
RDKit 3D
40 43 0 0 1 0 0 0 0 0999 V2000
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CHEMBL584394
RDKit 3D
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$$$$
CHEMBL584395
RDKit 3D
44 48 0 0 1 0 0 0 0 0999 V2000
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CHEMBL573309
RDKit 3D
37 40 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL578000
RDKit 3D
38 41 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL486772
RDKit 3D
33 36 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL517406
RDKit 3D
34 37 0 0 1 0 0 0 0 0999 V2000
0.2426 2.9311 2.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.5554 -0.4000 1.1465 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3847 1.7630 1.4035 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5554 2.9360 2.0712 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3166 3.7647 1.3471 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6865 3.1981 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1346 1.9092 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3588 1.0840 -0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.4576 3.6401 -0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4742 -2.3049 1.3179 C 0 0 0 0 0 0 0 0 0 0 0 0
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33 34 1 0
M CHG 1 33 1
M END
$$$$
CHEMBL578241
RDKit 3D
39 42 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.2597 -3.6289 0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0508 -4.6553 0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0802 -5.1562 1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0
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28 33 1 0
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31 32 1 0
32 33 2 0
34 35 1 0
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36 37 2 0
36 38 1 0
M CHG 1 39 1
M END
$$$$
CHEMBL234345
RDKit 3D
31 32 0 0 1 0 0 0 0 0999 V2000
3.2350 1.1684 -0.4048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4772 -0.1401 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1011 -0.7465 -1.4987 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.6284 0.4456 -4.6248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0822 1.4591 -4.2435 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.6878 -0.8335 -6.5082 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.6125 1.2463 -7.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 2 30 -1 31 1
M END
$$$$
CHEMBL234346
RDKit 3D
28 28 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2100 -0.0858 1.1685 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8819 -3.6984 3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 2 8 -1 28 1
M END
$$$$
CHEMBL575807
RDKit 3D
36 39 0 0 1 0 0 0 0 0999 V2000
-0.0187 1.5258 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3420 -5.2440 2.9009 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 2 35 1 36 1
M END
$$$$
CHEMBL181872
RDKit 3D
24 26 0 0 1 0 0 0 0 0999 V2000
0.2502 2.1290 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1110 0.6103 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8050 -0.0530 1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.5240 -1.1472 2.6593 S 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 24 1
M END
$$$$
CHEMBL181872
RDKit 3D
24 26 0 0 1 0 0 0 0 0999 V2000
0.2502 2.1290 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1110 0.6103 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$
CHEMBL575805
RDKit 3D
38 41 0 0 1 0 0 0 0 0999 V2000
-0.3222 1.8588 -0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
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$$$$
CHEMBL578038
RDKit 3D
39 42 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL575594
RDKit 3D
39 42 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL426052
RDKit 3D
27 28 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL458540
RDKit 3D
36 39 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL458742
RDKit 3D
37 40 0 0 1 0 0 0 0 0999 V2000
1.7577 2.9700 -1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 36 1
M END
$$$$
CHEMBL514911
RDKit 3D
36 39 0 0 1 0 0 0 0 0999 V2000
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M CHG 1 35 1
M END
$$$$
CHEMBL186911
RDKit 3D
43 45 0 0 1 0 0 0 0 0999 V2000
-0.5821 -0.9906 0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$
CHEMBL515848
RDKit 3D
39 43 0 0 1 0 0 0 0 0999 V2000
0.4672 1.4340 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$
CHEMBL575370
RDKit 3D
44 48 0 0 1 0 0 0 0 0999 V2000
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M END
$$$$
CHEMBL221137
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
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M CHG 1 20 -1
M END
$$$$
CHEMBL221137
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
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M END
$$$$
CHEMBL186819
RDKit 3D
40 41 0 0 1 0 0 0 0 0999 V2000
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M END
$$$$
CHEMBL375349
RDKit 3D
34 37 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL218832
RDKit 3D
35 38 0 0 1 0 0 0 0 0999 V2000
0.0468 1.8615 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0
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$$$$
CHEMBL184046
RDKit 3D
39 41 0 0 1 0 0 0 0 0999 V2000
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M END
$$$$
CHEMBL573548
RDKit 3D
37 40 0 0 1 0 0 0 0 0999 V2000
0.1675 1.8717 -0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$
CHEMBL363529
RDKit 3D
34 37 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL363529
RDKit 3D
34 37 0 0 1 0 0 0 0 0999 V2000
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$$$$
CHEMBL363529
RDKit 3D
34 37 0 0 1 0 0 0 0 0999 V2000
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M END
$$$$
CHEMBL363529
RDKit 3D
34 37 0 0 1 0 0 0 0 0999 V2000
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3.1695 -0.0315 2.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 33 1
M END
$$$$
CHEMBL462102
RDKit 3D
34 37 0 0 1 0 0 0 0 0999 V2000
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M CHG 1 33 1
M END
$$$$
CHEMBL511444
RDKit 3D
35 38 0 0 1 0 0 0 0 0999 V2000
-0.3437 2.4177 1.9853 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.7455 -0.9807 6.5211 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 -0.2521 6.1756 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7564 0.4289 4.8163 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9777 0.1854 3.9137 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9961 -0.6149 4.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1411 -1.3155 5.8444 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5606 1.4652 3.5032 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2771 1.5450 2.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4397 0.5547 1.6778 O 0 0 0 0 0 0 0 0 0 0 0 0
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9.9596 5.2992 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2746 4.1505 0.4508 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.0476 1.7548 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.0554 -1.7620 1.7308 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.1051 -2.6683 2.3772 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 34 1
M END
$$$$
CHEMBL479725
RDKit 3D
38 41 0 0 1 0 0 0 0 0999 V2000
-1.5058 3.7695 -1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0816 2.3387 5.7242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5781 2.7296 5.6429 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8565 2.7639 4.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.7052 1.6194 5.2925 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4229 1.5455 6.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.1841 2.4741 2.5501 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3100 1.2760 2.4099 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1719 3.4155 1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8455 4.2384 2.9781 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4294 3.6155 4.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0474 4.3703 5.0447 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.4988 6.3708 3.8491 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8846 5.6157 2.8675 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2090 2.6210 1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9124 1.6199 1.8028 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8638 0.8911 1.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1115 1.1631 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3270 -0.9650 2.6313 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 37 1
M END
$$$$
CHEMBL481213
RDKit 3D
32 35 0 0 1 0 0 0 0 0999 V2000
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0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3497 0.0463 -6.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.4731 1.9108 -2.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.3959 3.1592 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8900 2.5947 2.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0814 1.6793 1.8218 C 0 0 0 0 0 0 0 0 0 0 0 0
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$$$$
Datasets
Models
