Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
46 49 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8293 -2.2028 -1.3372 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6299 -2.0453 0.8488 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.8127 -3.1053 1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.6993 -1.7513 1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
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10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
13 14 2 0 0 0 0
13 32 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 35 1 0 0 0 0
20 21 2 0 0 0 0
20 36 1 0 0 0 0
21 22 1 0 0 0 0
21 37 1 0 0 0 0
22 23 2 0 0 0 0
22 38 1 0 0 0 0
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25 42 1 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
M END
> <MolID> (385)
385
> <Formula> (385)
C21H20N4O
> <MolWeight> (385)
344.4097
> <NewID> (385)
11012021-5
> <SOURCE> (385)
11012021
> <ID> (385)
5
> <IC50> (385)
48
> <TARGET> (385)
src
> <YEAR> (385)
2000
> <PN> (385)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
50 54 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.6921 -2.3812 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.3096 -3.1175 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.7750 -2.4169 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0
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1 6 1 0 0 0 0
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3 4 2 0 0 0 0
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10 32 1 0 0 0 0
11 12 2 0 0 0 0
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12 13 1 0 0 0 0
12 33 1 0 0 0 0
13 14 2 0 0 0 0
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14 15 1 0 0 0 0
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15 16 2 0 0 0 0
15 35 1 0 0 0 0
16 36 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 37 1 0 0 0 0
20 21 2 0 0 0 0
20 38 1 0 0 0 0
21 22 1 0 0 0 0
21 39 1 0 0 0 0
22 23 2 0 0 0 0
22 40 1 0 0 0 0
23 41 1 0 0 0 0
24 25 1 0 0 0 0
24 28 1 0 0 0 0
24 42 1 0 0 0 0
25 26 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
26 27 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
27 28 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
M END
> <MolID> (386)
386
> <Formula> (386)
C23H22N4O
> <MolWeight> (386)
370.44698
> <NewID> (386)
11012021-6
> <SOURCE> (386)
11012021
> <ID> (386)
6
> <IC50> (386)
70
> <TARGET> (386)
src
> <YEAR> (386)
2000
> <PN> (386)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
51 55 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8564 -2.2121 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4595 -3.2328 -0.3103 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0830 -2.6301 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
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12 13 1 0 0 0 0
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13 14 2 0 0 0 0
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16 37 1 0 0 0 0
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19 20 1 0 0 0 0
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20 21 2 0 0 0 0
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21 22 1 0 0 0 0
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22 23 2 0 0 0 0
22 41 1 0 0 0 0
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24 25 1 0 0 0 0
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26 27 1 0 0 0 0
26 46 1 0 0 0 0
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27 28 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
28 29 1 0 0 0 0
28 50 1 0 0 0 0
29 51 1 0 0 0 0
M END
> <MolID> (387)
387
> <Formula> (387)
C23H22N4O2
> <MolWeight> (387)
386.44638
> <NewID> (387)
11012021-7
> <SOURCE> (387)
11012021
> <ID> (387)
7
> <IC50> (387)
40
> <TARGET> (387)
src
> <YEAR> (387)
2000
> <PN> (387)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
51 55 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8590 -2.2321 -1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2748 -3.4805 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5800 -3.3721 0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7662 -2.0617 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6947 -2.3911 -1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0
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10 33 1 0 0 0 0
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11 16 1 0 0 0 0
12 13 1 0 0 0 0
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13 14 2 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
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15 16 2 0 0 0 0
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16 37 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 38 1 0 0 0 0
20 21 2 0 0 0 0
20 39 1 0 0 0 0
21 22 1 0 0 0 0
21 40 1 0 0 0 0
22 23 2 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
24 25 1 0 0 0 0
24 28 1 0 0 0 0
24 43 1 0 0 0 0
25 26 1 0 0 0 0
25 44 1 0 0 0 0
25 45 1 0 0 0 0
26 27 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 48 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
29 51 1 0 0 0 0
M END
> <MolID> (388)
388
> <Formula> (388)
C23H22N4O2
> <MolWeight> (388)
386.44638
> <NewID> (388)
11012021-8
> <SOURCE> (388)
11012021
> <ID> (388)
8
> <IC50> (388)
88
> <TARGET> (388)
src
> <YEAR> (388)
2000
> <PN> (388)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
52 56 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8349 -2.2193 -1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7669 -2.7258 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8020 -3.1407 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7037 -2.0507 0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2484 -4.4339 0.6708 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5233 -3.8517 -0.6657 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6921 -2.3812 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6406 -3.0193 -2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2887 -1.3676 -1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4303 -1.9281 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3096 -3.1175 1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0339 -1.1440 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7750 -2.4169 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9064 -5.1410 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1265 -4.2111 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
2 31 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
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5 6 2 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
8 9 2 0 0 0 0
8 32 1 0 0 0 0
9 11 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 35 1 0 0 0 0
13 14 2 0 0 0 0
13 36 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 39 1 0 0 0 0
20 21 2 0 0 0 0
20 40 1 0 0 0 0
21 22 1 0 0 0 0
21 41 1 0 0 0 0
22 23 2 0 0 0 0
22 42 1 0 0 0 0
23 43 1 0 0 0 0
24 25 1 0 0 0 0
24 28 1 0 0 0 0
24 44 1 0 0 0 0
25 26 1 0 0 0 0
25 45 1 0 0 0 0
25 46 1 0 0 0 0
26 27 1 0 0 0 0
26 30 1 0 0 0 0
26 47 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 48 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
29 51 1 0 0 0 0
30 52 1 0 0 0 0
M END
> <MolID> (389)
389
> <Formula> (389)
C23H22N4O3
> <MolWeight> (389)
402.44578
> <NewID> (389)
11012021-9
> <SOURCE> (389)
11012021
> <ID> (389)
9
> <IC50> (389)
84
> <TARGET> (389)
src
> <YEAR> (389)
2000
> <PN> (389)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
49 52 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8506 -1.9621 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3878 -2.3692 0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5873 -2.5267 -1.9954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8049 -1.4374 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0334 -3.0221 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6594 -1.5496 -0.5183 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4420 -2.2466 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5706 -3.4291 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3421 -1.8444 1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3960 -2.1141 -2.5985 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7700 -3.5867 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6415 -2.4041 -2.5232 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
2 28 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
5 6 2 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
8 9 2 0 0 0 0
8 29 1 0 0 0 0
9 11 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 32 1 0 0 0 0
13 14 2 0 0 0 0
13 33 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
15 34 1 0 0 0 0
16 35 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 36 1 0 0 0 0
20 21 2 0 0 0 0
20 37 1 0 0 0 0
21 22 1 0 0 0 0
21 38 1 0 0 0 0
22 23 2 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 27 1 0 0 0 0
25 41 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
27 49 1 0 0 0 0
M END
> <MolID> (399)
399
> <Formula> (399)
C22H22N4O
> <MolWeight> (399)
358.43628
> <NewID> (399)
11012022-14
> <SOURCE> (399)
11012022
> <ID> (399)
610
> <IC50> (399)
75
> <TARGET> (399)
src
> <YEAR> (399)
2000
> <PN> (399)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
50 53 0 0 0 0 0 0 0 0999 V2000
0.2686 1.6755 -2.6916 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3587 -2.6477 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0965 -0.3989 -2.0891 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1794 0.1429 -1.5331 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3174 1.5418 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3130 2.3078 -2.1632 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2777 -0.3656 -0.8942 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1133 0.6475 -0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4052 3.6873 -2.2115 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1774 3.1804 -0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7912 0.8261 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2808 5.6859 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8427 5.3279 -1.4973 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2986 4.0791 -1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 6.9149 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9836 7.9350 0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 7.6840 0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7845 8.7205 0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2763 10.0123 0.9613 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6234 10.2634 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4764 9.2262 0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4376 11.0327 1.2845 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5236 -1.7902 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8513 -1.9622 0.0836 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3885 -2.3695 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5875 -2.5267 -1.9965 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6871 -0.1155 -3.0882 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0493 0.5171 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7030 4.2059 -2.6344 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1721 4.1360 -1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5292 2.8477 1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5078 5.0729 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9321 6.0264 -2.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9627 3.7993 -2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2532 6.6783 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 8.5252 1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0062 11.2693 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5262 9.4210 0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3571 11.1896 2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8058 -1.4375 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0342 -3.0222 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6599 -1.5495 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4426 -2.2469 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5714 -3.4294 0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3430 -1.8448 1.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3961 -2.1140 -2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7704 -3.5867 -1.8199 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6416 -2.4042 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
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3 4 2 0 0 0 0
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5 6 2 0 0 0 0
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6 10 1 0 0 0 0
7 8 1 0 0 0 0
7 25 1 0 0 0 0
8 9 2 0 0 0 0
8 30 1 0 0 0 0
9 11 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 33 1 0 0 0 0
13 14 2 0 0 0 0
13 34 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
15 35 1 0 0 0 0
16 36 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 37 1 0 0 0 0
20 21 2 0 0 0 0
20 38 1 0 0 0 0
21 22 1 0 0 0 0
21 24 1 0 0 0 0
22 23 2 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
26 42 1 0 0 0 0
26 43 1 0 0 0 0
26 44 1 0 0 0 0
27 45 1 0 0 0 0
27 46 1 0 0 0 0
27 47 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
M END
> <MolID> (400)
400
> <Formula> (400)
C22H22N4O2
> <MolWeight> (400)
374.43568
> <NewID> (400)
11012022-16
> <SOURCE> (400)
11012022
> <ID> (400)
16
> <IC50> (400)
250
> <TARGET> (400)
src
> <YEAR> (400)
2000
> <PN> (400)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
51 54 0 0 0 0 0 0 0 0999 V2000
0.5023 0.8369 -0.4457 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5303 -0.4160 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5631 -0.9324 0.6010 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6458 -0.1968 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6593 1.1430 0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5362 1.6492 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8429 -0.4421 1.4665 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6225 0.6831 1.4538 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9599 1.6891 0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5035 2.9611 -0.6815 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4519 3.0697 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9856 3.8019 1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4428 5.0857 1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3716 5.6493 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8403 4.9230 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3871 3.6365 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8225 6.9147 -0.0167 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1330 7.0809 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9397 5.9731 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2706 6.1411 -0.8834 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8015 7.4194 -0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9934 8.5278 -0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6614 8.3582 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1500 7.5904 -1.3282 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2337 -1.7250 2.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6393 -1.6067 2.6489 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2443 -2.1011 3.1608 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2258 -2.8069 0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3302 -1.0423 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6140 0.7580 1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7199 3.2990 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2642 3.5429 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0406 3.3643 2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8564 5.6533 2.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7859 5.3643 -1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9779 3.0704 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5268 4.9791 -0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8985 5.2787 -1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4056 9.5222 -0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0317 9.2202 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7143 6.8160 -1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5205 8.4833 -1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6449 -0.8359 3.4195 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9301 -2.5612 3.0875 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3442 -1.3388 1.8618 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2430 -2.1853 2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5351 -3.0556 3.5995 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2499 -1.3303 3.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9307 -2.5390 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5166 -3.7614 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2245 -2.8912 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
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3 4 2 0 0 0 0
4 5 1 0 0 0 0
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12 13 1 0 0 0 0
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25 28 1 0 0 0 0
26 43 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
28 51 1 0 0 0 0
M END
> <MolID> (401)
401
> <Formula> (401)
C22H23N5O
> <MolWeight> (401)
373.45092
> <NewID> (401)
11012022-17
> <SOURCE> (401)
11012022
> <ID> (401)
17
> <IC50> (401)
75
> <TARGET> (401)
src
> <YEAR> (401)
2000
> <PN> (401)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
51 55 0 0 0 0 0 0 0 0999 V2000
0.2690 1.6770 -2.6936 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1778 0.3602 -2.6503 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0965 -0.3976 -2.0916 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1794 0.1438 -1.5353 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3178 1.5427 -1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3135 2.3090 -2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2773 -0.3650 -0.8959 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1130 0.6479 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5870 1.8400 -0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4056 3.6886 -2.2122 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1807 -0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6175 3.5429 0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1663 4.7908 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6860 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8433 5.3286 -1.4965 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2992 4.0799 -1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8221 6.9148 -0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9834 7.9350 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4740 9.2328 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6151 10.2691 0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2742 10.0127 0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7868 8.7235 0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6369 7.6860 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5227 -1.7897 -0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8346 -2.2190 -1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7662 -2.7259 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8009 -3.1408 0.9198 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7028 -2.0506 0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7934 9.4832 0.2013 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6866 -0.1138 -3.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0486 0.5172 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7033 4.2074 -2.6347 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1725 4.1371 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5283 2.8471 1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5070 5.0720 1.8122 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9331 6.0274 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9637 3.8006 -2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9932 11.2770 0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6060 10.8213 1.2193 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7387 8.5274 1.0241 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2528 6.6806 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6917 -2.3806 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6404 -3.0189 -2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2887 -1.3674 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3431 -3.5847 -0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4297 -1.9283 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3785 -4.1272 0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3082 -3.1179 1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0330 -1.1441 1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7739 -2.4167 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0104 9.6911 -0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
2 30 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
5 6 2 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
8 9 2 0 0 0 0
8 31 1 0 0 0 0
9 11 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 34 1 0 0 0 0
13 14 2 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 29 1 0 0 0 0
20 21 2 0 0 0 0
20 38 1 0 0 0 0
21 22 1 0 0 0 0
21 39 1 0 0 0 0
22 23 2 0 0 0 0
22 40 1 0 0 0 0
23 41 1 0 0 0 0
24 25 1 0 0 0 0
24 28 1 0 0 0 0
24 42 1 0 0 0 0
25 26 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
26 27 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
27 28 1 0 0 0 0
27 47 1 0 0 0 0
27 48 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
29 51 1 0 0 0 0
M END
> <MolID> (404)
404
> <Formula> (404)
C23H22N4O2
> <MolWeight> (404)
386.44638
> <NewID> (404)
11012022-21
> <SOURCE> (404)
11012022
> <ID> (404)
21
> <IC50> (404)
4000
> <TARGET> (404)
src
> <YEAR> (404)
2000
> <PN> (404)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
48 51 0 0 0 0 0 0 0 0999 V2000
0.2683 1.6797 -2.6930 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1764 0.3630 -2.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0950 -0.3954 -2.0917 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1783 0.1455 -1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3172 1.5443 -1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3111 -2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2763 -0.3640 -0.8966 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1124 0.6484 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5867 1.8409 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4061 3.6907 -2.2119 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1773 3.1814 -0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5422 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7899 0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2808 5.6862 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8427 5.3301 -1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2985 4.0817 -1.7113 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8222 6.9149 -0.0147 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9842 7.9341 0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4737 9.2275 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6194 10.2620 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0093 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7875 8.7210 0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6360 7.6841 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5216 -1.7889 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8279 -2.2012 -1.3422 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6280 -2.0459 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9101 9.4986 0.1881 N 0 3 0 0 0 0 0 0 0 0 0 0
7.3392 10.6343 0.2862 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6628 8.5861 -0.1021 O 0 5 0 0 0 0 0 0 0 0 0 0
-0.6885 -0.1105 -3.0905 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0480 0.5172 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7042 4.2098 -2.6345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1734 4.1387 -1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5291 2.8455 1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5079 5.0701 1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.9623 3.8035 -2.6992 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 11.2690 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 10.8194 1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7393 8.5261 1.0321 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2516 6.6789 0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6976 -2.3724 -1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0104 -3.2614 -1.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7521 -2.0182 -2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6519 -1.6178 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6974 -1.7521 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8105 -3.1060 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4520 -1.4624 1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
2 30 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
5 6 2 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
8 9 2 0 0 0 0
8 31 1 0 0 0 0
9 11 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 34 1 0 0 0 0
13 14 2 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 27 1 0 0 0 0
20 21 2 0 0 0 0
20 38 1 0 0 0 0
21 22 1 0 0 0 0
21 39 1 0 0 0 0
22 23 2 0 0 0 0
22 40 1 0 0 0 0
23 41 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 42 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
25 45 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
M CHG 2 27 1 29 -1
M END
> <MolID> (405)
405
> <Formula> (405)
C21H19N5O3
> <MolWeight> (405)
389.40726
> <NewID> (405)
11012022-22
> <SOURCE> (405)
11012022
> <ID> (405)
22
> <IC50> (405)
208
> <TARGET> (405)
src
> <YEAR> (405)
2000
> <PN> (405)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
47 50 0 0 0 0 0 0 0 0999 V2000
0.2684 1.6773 -2.6946 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1771 0.3606 -2.6514 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0960 -0.3974 -2.0930 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1789 0.1440 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3171 1.5429 -1.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3128 2.3093 -2.1658 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2772 -0.3649 -0.8979 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1129 0.6478 -0.5111 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5866 1.8401 -0.8843 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4052 3.6888 -2.2133 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1772 3.1808 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6177 3.5428 0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1666 4.7907 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8432 5.3285 -1.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2986 4.0800 -1.7148 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8218 6.9149 -0.0207 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9847 7.9328 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4769 9.2407 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6049 10.2804 0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2697 10.0149 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7875 8.7211 0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 7.6850 0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5228 -1.7897 -0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8290 -2.2021 -1.3431 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6299 -2.0458 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8655 9.5094 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9670 9.7225 0.0116 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6874 -0.1134 -3.0922 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0486 0.5171 0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7030 4.2076 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1721 4.1373 -1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5288 2.8470 1.4373 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5077 5.0718 1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9335 6.0271 -2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9625 3.8009 -2.7024 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9766 11.2905 0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5964 10.8193 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7398 8.5221 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2529 6.6797 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6988 -2.3735 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6530 -1.6183 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0118 -3.2621 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7528 -2.0196 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 -1.7520 1.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8127 -3.1059 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4539 -1.4620 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
2 29 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
5 6 2 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
8 9 2 0 0 0 0
8 30 1 0 0 0 0
9 11 1 0 0 0 0
10 31 1 0 0 0 0
10 32 1 0 0 0 0
11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 33 1 0 0 0 0
13 14 2 0 0 0 0
13 34 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
15 35 1 0 0 0 0
16 36 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 27 1 0 0 0 0
20 21 2 0 0 0 0
20 37 1 0 0 0 0
21 22 1 0 0 0 0
21 38 1 0 0 0 0
22 23 2 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 41 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
25 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
27 28 3 0 0 0 0
M END
> <MolID> (406)
406
> <Formula> (406)
C22H19N5O
> <MolWeight> (406)
369.41916
> <NewID> (406)
11012022-23
> <SOURCE> (406)
11012022
> <ID> (406)
23
> <IC50> (406)
770
> <TARGET> (406)
src
> <YEAR> (406)
2000
> <PN> (406)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
48 52 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8385 -2.2331 -1.3346 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7229 -2.7123 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7903 -3.0739 0.8797 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7683 -2.0541 0.8463 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6862 -2.3867 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6524 -3.0503 -2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3061 -1.3922 -1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3125 -3.5789 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3750 -1.9067 0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1206 -1.1475 1.3383 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8564 -2.4150 1.3219 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
2 29 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
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5 9 1 0 0 0 0
6 10 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
8 9 2 0 0 0 0
8 30 1 0 0 0 0
9 11 1 0 0 0 0
10 31 1 0 0 0 0
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11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
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13 14 2 0 0 0 0
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14 15 1 0 0 0 0
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20 21 2 0 0 0 0
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28 48 1 0 0 0 0
M END
> <MolID> (76)
76
> <Formula> (76)
C22H20N4O2
> <MolWeight> (76)
372.4198
> <NewID> (76)
12039590-3
> <SOURCE> (76)
12039590
> <ID> (76)
3
> <IC50> (76)
320
> <TARGET> (76)
src
> <YEAR> (76)
2000
> <PN> (76)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
51 55 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.6982 -2.3751 -1.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
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28 48 1 0 0 0 0
28 49 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
M END
> <MolID> (77)
77
> <Formula> (77)
C23H22N4O2
> <MolWeight> (77)
386.44638
> <NewID> (77)
12039590-4
> <SOURCE> (77)
12039590
> <ID> (77)
4
> <IC50> (77)
1120
> <TARGET> (77)
src
> <YEAR> (77)
2000
> <PN> (77)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
44 47 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1902 -2.4048 -1.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
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10 30 1 0 0 0 0
11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
13 14 2 0 0 0 0
13 32 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 35 1 0 0 0 0
20 21 2 0 0 0 0
20 36 1 0 0 0 0
21 22 1 0 0 0 0
21 37 1 0 0 0 0
22 23 2 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
24 25 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
25 26 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
M END
> <MolID> (78)
78
> <Formula> (78)
C20H18N4O2
> <MolWeight> (78)
346.38252
> <NewID> (78)
12039590-5
> <SOURCE> (78)
12039590
> <ID> (78)
5
> <IC50> (78)
1470
> <TARGET> (78)
src
> <YEAR> (78)
2000
> <PN> (78)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
47 51 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
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26 27 1 0 0 0 0
26 45 1 0 0 0 0
27 28 1 0 0 0 0
28 46 1 0 0 0 0
28 47 1 0 0 0 0
M END
> <MolID> (80)
80
> <Formula> (80)
C21H19N5O2
> <MolWeight> (80)
373.40786
> <NewID> (80)
12039590-7
> <SOURCE> (80)
12039590
> <ID> (80)
7
> <IC50> (80)
390
> <TARGET> (80)
src
> <YEAR> (80)
2000
> <PN> (80)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
49 53 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7006 -2.3862 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
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12 13 1 0 0 0 0
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13 34 1 0 0 0 0
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15 16 2 0 0 0 0
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17 18 1 0 0 0 0
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18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 37 1 0 0 0 0
20 21 2 0 0 0 0
20 38 1 0 0 0 0
21 22 1 0 0 0 0
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22 23 2 0 0 0 0
22 40 1 0 0 0 0
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24 42 1 0 0 0 0
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25 43 1 0 0 0 0
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26 27 1 0 0 0 0
26 45 1 0 0 0 0
27 28 1 0 0 0 0
27 46 1 0 0 0 0
27 47 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
M END
> <MolID> (81)
81
> <Formula> (81)
C22H21N5O
> <MolWeight> (81)
371.43504
> <NewID> (81)
12039590-8
> <SOURCE> (81)
12039590
> <ID> (81)
8
> <IC50> (81)
2360
> <TARGET> (81)
src
> <YEAR> (81)
2000
> <PN> (81)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
52 56 0 0 0 0 0 0 0 0999 V2000
0.2687 1.6757 -2.6914 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1775 0.3589 -2.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0963 -0.3987 -2.0885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1792 0.1431 -1.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3175 1.5419 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3131 2.3079 -2.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.3655 -0.8934 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1131 0.6476 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5869 1.8395 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 3.6875 -2.2113 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1775 3.1804 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6179 3.5431 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1668 4.7911 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2809 5.6859 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 5.3280 -1.4967 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2988 4.0792 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8221 6.9149 -0.0202 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9841 7.9344 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6362 7.6847 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7865 8.7229 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2780 10.0102 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6207 10.2619 0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4758 9.2263 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5230 -1.7901 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8302 -2.2045 -1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1125 -3.6779 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2143 -3.8701 0.4172 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9550 -3.5236 1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6380 -2.0456 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6869 -0.1153 -3.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0490 0.5171 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7031 4.2060 -2.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1723 4.1362 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5291 2.8476 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5078 5.0727 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9326 6.0264 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9626 3.7996 -2.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2516 6.6795 0.4277 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7373 8.5290 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6119 10.8205 1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0020 11.2683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5252 9.4227 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6984 -2.3748 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7392 -2.0649 -2.4145 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6482 -1.5919 -0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3008 -4.2910 -1.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0499 -3.9723 -1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4940 -4.8141 0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1486 -4.1374 0.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0516 -3.7059 2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4374 -1.4306 1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6953 -1.7925 1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
2 30 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
5 6 2 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
8 9 2 0 0 0 0
8 31 1 0 0 0 0
9 11 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 34 1 0 0 0 0
13 14 2 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 38 1 0 0 0 0
20 21 2 0 0 0 0
20 39 1 0 0 0 0
21 22 1 0 0 0 0
21 40 1 0 0 0 0
22 23 2 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
24 25 1 0 0 0 0
24 29 1 0 0 0 0
24 43 1 0 0 0 0
25 26 1 0 0 0 0
25 44 1 0 0 0 0
25 45 1 0 0 0 0
26 27 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
27 28 1 0 0 0 0
27 48 1 0 0 0 0
28 29 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
29 51 1 0 0 0 0
29 52 1 0 0 0 0
M END
> <MolID> (82)
82
> <Formula> (82)
C23H23N5O
> <MolWeight> (82)
385.46162
> <NewID> (82)
12039590-9
> <SOURCE> (82)
12039590
> <ID> (82)
9
> <IC50> (82)
1780
> <TARGET> (82)
src
> <YEAR> (82)
2000
> <PN> (82)
0
$$$$
Wcorina 06010716263D 1 1.00000 0.00000
CORINA evaluation license 3.40 0067 02.08.2006
68 73 0 0 0 0 0 0 0 0999 V2000
-0.2753 1.4998 -0.3151 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2863 0.1848 -0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8056 -0.5450 -0.3598 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9919 0.0250 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0503 1.4232 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8612 2.1589 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2690 -0.4515 -0.0286 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1427 0.5814 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4644 1.7550 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8688 3.5366 0.0203 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0379 3.1080 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8967 3.3531 1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4284 4.6127 1.6471 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1093 5.6360 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2540 5.3953 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7239 4.1363 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6348 6.8761 0.9460 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8465 7.8264 1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5545 7.5118 1.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7553 8.4796 2.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2416 9.7611 2.6687 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5286 10.0774 2.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3340 9.1117 1.7025 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6467 -1.8648 -0.1074 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6274 -2.0669 -1.2642 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8776 -1.2173 -1.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5415 -1.6416 0.2843 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5608 -1.4395 1.4411 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3106 -2.2891 1.2042 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7419 -0.8259 0.5119 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4882 -1.3032 1.6830 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8016 -0.5270 1.8035 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4951 0.9666 1.9442 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6759 1.4275 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3951 0.5947 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2303 -0.3118 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2098 0.4773 0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0386 4.0340 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7045 4.0050 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1451 2.5576 2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0935 4.8034 2.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0074 6.1935 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0624 3.9485 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1739 6.5112 1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7496 8.2352 2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6151 10.5164 3.1196 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9059 11.0792 2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3407 9.3581 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7560 -2.4700 -0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9085 -3.1184 -1.3227 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1545 -1.7646 -2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5763 -1.3613 -1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5966 -0.1658 -0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8225 -2.6932 0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0337 -1.7418 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2797 -0.3880 1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6119 -2.1451 2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5916 -3.3406 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8913 -1.1487 2.5818 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7034 -2.3656 1.5683 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3481 -0.8706 2.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4052 -0.6921 0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9247 1.1369 2.8573 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4287 1.5276 1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4180 2.4803 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2617 1.2932 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8163 0.9107 -0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8032 0.7403 1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 6 1 0 0 0 0
2 3 1 0 0 0 0
2 36 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
5 6 2 0 0 0 0
5 9 1 0 0 0 0
6 10 1 0 0 0 0
7 8 1 0 0 0 0
7 24 1 0 0 0 0
8 9 2 0 0 0 0
8 37 1 0 0 0 0
9 11 1 0 0 0 0
10 38 1 0 0 0 0
10 39 1 0 0 0 0
11 12 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 40 1 0 0 0 0
13 14 2 0 0 0 0
13 41 1 0 0 0 0
14 15 1 0 0 0 0
14 17 1 0 0 0 0
15 16 2 0 0 0 0
15 42 1 0 0 0 0
16 43 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 23 1 0 0 0 0
19 20 1 0 0 0 0
19 44 1 0 0 0 0
20 21 2 0 0 0 0
20 45 1 0 0 0 0
21 22 1 0 0 0 0
21 46 1 0 0 0 0
22 23 2 0 0 0 0
22 47 1 0 0 0 0
23 48 1 0 0 0 0
24 25 1 0 0 0 0
24 29 1 0 0 0 0
24 49 1 0 0 0 0
25 26 1 0 0 0 0
25 50 1 0 0 0 0
25 51 1 0 0 0 0
26 27 1 0 0 0 0
26 52 1 0 0 0 0
26 53 1 0 0 0 0
27 28 1 0 0 0 0
27 30 1 0 0 0 0
27 54 1 0 0 0 0
28 29 1 0 0 0 0
28 55 1 0 0 0 0
28 56 1 0 0 0 0
29 57 1 0 0 0 0
29 58 1 0 0 0 0
30 31 1 0 0 0 0
30 35 1 0 0 0 0
31 32 1 0 0 0 0
31 59 1 0 0 0 0
31 60 1 0 0 0 0
32 33 1 0 0 0 0
32 61 1 0 0 0 0
32 62 1 0 0 0 0
33 34 1 0 0 0 0
33 63 1 0 0 0 0
33 64 1 0 0 0 0
34 35 1 0 0 0 0
34 65 1 0 0 0 0
34 66 1 0 0 0 0
35 67 1 0 0 0 0
35 68 1 0 0 0 0
M END
> <MolID> (83)
83
> <Formula> (83)
C29H33N5O
> <MolWeight> (83)
467.60522
> <NewID> (83)
12039590-10
> <SOURCE> (83)
12039590
> <ID> (83)
10
> <IC50> (83)
5460
> <TARGET> (83)
src
> <YEAR> (83)
2000
> <PN> (83)
0
$$$$
44
csChFnd70/05230809552D
47 51 0 0 0 0 0 0 0 0999 V2000
3.6373 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4869 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4869 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
13.3366 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 12.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 10.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
34 1 1 0 0 0 0
37 1 2 0 0 0 0
1 46 1 0 0 0 0
37 4 1 0 0 0 0
46 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
10 6 2 0 0 0 0
6 11 1 0 0 0 0
7 10 1 0 0 0 0
7 9 2 0 0 0 0
11 8 2 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
12 13 1 0 0 0 0
12 24 1 0 0 0 0
13 15 1 0 0 0 0
13 14 2 0 0 0 0
15 16 1 0 0 0 0
18 16 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 21 2 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
19 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 2 0 0 0 0
24 27 1 0 0 0 0
25 26 1 0 0 0 0
26 29 2 0 0 0 0
28 27 2 0 0 0 0
29 28 1 0 0 0 0
27 32 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 38 1 0 0 0 0
38 43 1 0 0 0 0
40 43 1 0 0 0 0
43 41 1 0 0 0 0
39 40 1 0 0 0 0
39 44 1 0 0 0 0
41 42 1 0 0 0 0
42 44 1 0 0 0 0
37 47 1 0 0 0 0
44 45 1 0 0 0 0
M END
> <Name> (111)
2-aminopyrimidine carbamate, 44
> <TARGET> (111)
Src
> <IC50nM> (111)
5
> <ID> (111)
341
> <PN> (111)
1
> <ALLID> (111)
Src-P109
> <xxx> (111)
P
$$$$
28
csChFnd70/05230809552D
42 46 0 0 0 0 0 0 0 0999 V2000
2.4247 11.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 10.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 10.4997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.0995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 6.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 6.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 8.3997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 6.2996 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
13.3365 4.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1243 4.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1246 2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3371 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5494 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 8.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 6.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 6.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 6.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 6.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 4.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3376 0.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5501 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 27 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 38 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 38 2 0 0 0 0
27 29 1 0 0 0 0
27 28 2 0 0 0 0
25 41 1 0 0 0 0
29 30 1 0 0 0 0
32 30 2 0 0 0 0
30 33 1 0 0 0 0
31 32 1 0 0 0 0
31 35 2 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
33 36 1 0 0 0 0
32 37 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
41 42 1 0 0 0 0
M END
> <Name> (118)
2-aminopyrimidine carbamate, 28
> <TARGET> (118)
Src
> <IC50nM> (118)
6
> <ID> (118)
348
> <PN> (118)
1
> <ALLID> (118)
Src-P116
> <xxx> (118)
P
$$$$
38
csChFnd70/05230809552D
46 50 0 0 0 0 0 0 0 0999 V2000
4.8495 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4868 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 8.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 6.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3987 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3987 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 10.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 13.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 14.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 10.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
35 1 1 0 0 0 0
45 1 2 0 0 0 0
1 2 1 0 0 0 0
45 5 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
11 7 2 0 0 0 0
7 12 1 0 0 0 0
8 11 1 0 0 0 0
8 10 2 0 0 0 0
12 9 2 0 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
13 14 1 0 0 0 0
13 25 1 0 0 0 0
14 16 1 0 0 0 0
14 15 2 0 0 0 0
16 17 1 0 0 0 0
19 17 2 0 0 0 0
17 20 1 0 0 0 0
18 19 1 0 0 0 0
18 22 2 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
20 23 1 0 0 0 0
19 24 1 0 0 0 0
25 26 2 0 0 0 0
25 28 1 0 0 0 0
26 27 1 0 0 0 0
27 30 2 0 0 0 0
29 28 2 0 0 0 0
30 29 1 0 0 0 0
28 33 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 42 1 0 0 0 0
39 42 1 0 0 0 0
42 40 1 0 0 0 0
43 38 1 0 0 0 0
43 41 1 0 0 0 0
38 39 1 0 0 0 0
40 41 1 0 0 0 0
43 44 1 0 0 0 0
45 46 1 0 0 0 0
M END
> <Name> (119)
2-aminopyrimidine carbamate, 38
> <TARGET> (119)
Src
> <IC50nM> (119)
6
> <ID> (119)
349
> <PN> (119)
1
> <ALLID> (119)
Src-P117
> <xxx> (119)
P
$$$$
41
csChFnd70/05230809552D
45 49 0 0 0 0 0 0 0 0999 V2000
3.6373 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4869 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4869 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
13.3366 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
34 1 1 0 0 0 0
37 1 2 0 0 0 0
1 38 1 0 0 0 0
37 4 1 0 0 0 0
38 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
10 6 2 0 0 0 0
6 11 1 0 0 0 0
7 10 1 0 0 0 0
7 9 2 0 0 0 0
11 8 2 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
12 13 1 0 0 0 0
12 24 1 0 0 0 0
13 15 1 0 0 0 0
13 14 2 0 0 0 0
15 16 1 0 0 0 0
18 16 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 21 2 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
19 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 2 0 0 0 0
24 27 1 0 0 0 0
25 26 1 0 0 0 0
26 29 2 0 0 0 0
28 27 2 0 0 0 0
29 28 1 0 0 0 0
27 32 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 39 1 0 0 0 0
39 45 1 0 0 0 0
41 45 1 0 0 0 0
45 42 1 0 0 0 0
40 41 1 0 0 0 0
40 44 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
M END
> <Name> (125)
2-aminopyrimidine carbamate, 41
> <TARGET> (125)
Src
> <IC50nM> (125)
7
> <ID> (125)
355
> <PN> (125)
1
> <ALLID> (125)
Src-P123
> <xxx> (125)
P
$$$$
1
csChFnd70/05230809552D
38 42 0 0 0 0 0 0 0 0999 V2000
2.4247 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 6.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
13.3365 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1243 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1246 0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3371 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5494 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 28 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 27 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
28 30 1 0 0 0 0
28 29 2 0 0 0 0
30 31 1 0 0 0 0
33 31 2 0 0 0 0
31 34 1 0 0 0 0
32 33 1 0 0 0 0
32 36 2 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
33 37 1 0 0 0 0
34 38 1 0 0 0 0
M END
> <Name> (166)
2-aminopyrimidine carbamate, 1
> <TARGET> (166)
Src
> <IC50nM> (166)
10
> <ID> (166)
396
> <PN> (166)
1
> <ALLID> (166)
Src-P164
> <xxx> (166)
P
$$$$
43.mol
csChFnd70/05210813072D
34 38 0 0 0 0 0 0 0 0999 V2000
0.0000 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1000 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7998 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1000 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1999 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8998 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7998 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7998 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8998 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2999 1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9999 2.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3998 2.4249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0999 3.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3998 4.8497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9999 4.8497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4998 3.6373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1998 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4998 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5997 4.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2997 6.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5997 7.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1998 7.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9999 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2997 8.4870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.6997 8.4870 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
15.3997 9.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3997 7.2745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.8303 5.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8706 5.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0830 5.7588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.7920 7.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
9 5 1 0 0 0 0
3 10 1 0 0 0 0
11 7 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 8 2 0 0 0 0
13 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 14 1 0 0 0 0
16 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 21 1 0 0 0 0
12 26 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 30 1 0 0 0 0
27 24 1 0 0 0 0
M END
> <ID> (177)
42
> <SOURCE> (177)
PMID_16931012
> <YEAR> (177)
2006
> <Kinase> (177)
SRC
> <IC50_nM> (177)
7
> <PN> (177)
1
> <SID> (177)
175
> <ALLID> (177)
SRC-P175
$$$$
45
csChFnd70/05230809552D
46 50 0 0 0 0 0 0 0 0999 V2000
3.6373 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4869 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4869 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
13.3366 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 10.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34 1 1 0 0 0 0
37 1 2 0 0 0 0
1 44 1 0 0 0 0
37 4 1 0 0 0 0
44 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
10 6 2 0 0 0 0
6 11 1 0 0 0 0
7 10 1 0 0 0 0
7 9 2 0 0 0 0
11 8 2 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
12 13 1 0 0 0 0
12 24 1 0 0 0 0
13 15 1 0 0 0 0
13 14 2 0 0 0 0
15 16 1 0 0 0 0
18 16 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 21 2 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
19 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 2 0 0 0 0
24 27 1 0 0 0 0
25 26 1 0 0 0 0
26 29 2 0 0 0 0
28 27 2 0 0 0 0
29 28 1 0 0 0 0
27 32 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 38 1 0 0 0 0
38 43 1 0 0 0 0
40 43 1 0 0 0 0
43 41 1 0 0 0 0
39 40 1 0 0 0 0
39 46 1 0 0 0 0
41 42 1 0 0 0 0
42 46 1 0 0 0 0
37 45 1 0 0 0 0
M END
> <Name> (179)
2-aminopyrimidine carbamate, 45
> <TARGET> (179)
Src
> <IC50nM> (179)
12
> <ID> (179)
409
> <PN> (179)
1
> <ALLID> (179)
Src-P177
> <xxx> (179)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 6
csChFnd70/05230809552D
42 47 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4551 16.5604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7195 18.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0535 19.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3527 20.6633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0947 23.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7402 23.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3691 21.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7073 21.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0783 22.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 30 1 0 0 0 0
30 31 1 0 0 0 0
31 35 1 0 0 0 0
31 32 2 0 0 0 0
27 33 1 0 0 0 0
33 34 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
40 37 2 0 0 0 0
37 41 1 0 0 0 0
38 39 2 0 0 0 0
38 42 1 0 0 0 0
39 40 1 0 0 0 0
41 42 2 0 0 0 0
M END
> <Name> (180)
Pyrazolo[3,4-d]pyrimidine 6
> <TARGET> (180)
Src
> <IC50nM> (180)
12.5
> <ID> (180)
410
> <PN> (180)
1
> <ALLID> (180)
Src-P178
> <xxx> (180)
P
$$$$
27
csChFnd70/05230809552D
43 47 0 0 0 0 0 0 0 0999 V2000
2.4248 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 8.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 7.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4868 5.5999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 7.7001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 5.5999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 5.5999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
13.3365 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1243 3.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1247 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3372 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5494 2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 7.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3376 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 5.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 6.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 5.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3987 6.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3987 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 3.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9491 3.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9391 2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2912 2.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5766 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 27 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 39 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 39 2 0 0 0 0
27 30 1 0 0 0 0
27 28 2 0 0 0 0
25 29 1 0 0 0 0
30 31 1 0 0 0 0
33 31 2 0 0 0 0
31 34 1 0 0 0 0
32 33 1 0 0 0 0
32 36 2 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
34 37 1 0 0 0 0
33 38 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
M END
> <Name> (191)
2-aminopyrimidine carbamate, 27
> <TARGET> (191)
Src
> <IC50nM> (191)
13
> <ID> (191)
421
> <PN> (191)
1
> <ALLID> (191)
Src-P189
> <xxx> (191)
P
$$$$
30
csChFnd70/05230809552D
42 47 0 0 0 0 0 0 0 0999 V2000
2.4247 11.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 10.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 10.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.0998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0619 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0619 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2744 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2744 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 6.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6991 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9116 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1239 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1239 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6991 8.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9116 6.2998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3363 6.2998 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
14.5488 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5488 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7612 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9735 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1860 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9735 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1860 6.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3984 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3984 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1860 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7612 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3363 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5488 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5488 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3363 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3363 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5488 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7612 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7612 2.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 22 1 0 0 0 0
21 33 1 0 0 0 0
22 24 1 0 0 0 0
22 23 2 0 0 0 0
24 25 1 0 0 0 0
27 25 2 0 0 0 0
25 28 1 0 0 0 0
26 27 1 0 0 0 0
26 30 2 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
33 34 2 0 0 0 0
33 36 1 0 0 0 0
34 35 1 0 0 0 0
35 38 2 0 0 0 0
37 36 2 0 0 0 0
37 42 1 0 0 0 0
38 37 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
M END
> <Name> (192)
2-aminopyrimidine carbamate, 30
> <TARGET> (192)
Src
> <IC50nM> (192)
14
> <ID> (192)
422
> <PN> (192)
1
> <ALLID> (192)
Src-P190
> <xxx> (192)
P
$$$$
29
csChFnd70/05230809552D
43 47 0 0 0 0 0 0 0 0999 V2000
2.4247 10.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 8.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 7.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.4356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 8.0355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 10.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 7.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0619 8.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 5.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0619 5.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2744 5.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2744 7.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 5.2355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6991 5.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9116 8.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1239 5.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1239 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6991 7.3357 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9116 5.2355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3363 5.2355 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
14.5488 5.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5488 7.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7613 5.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9735 5.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1860 8.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9735 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1860 5.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3985 5.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3985 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1860 3.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7613 8.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3363 3.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3263 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7078 3.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8317 1.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7185 0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1000 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5946 1.9888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4500 1.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9554 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9763 2.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.9661 1.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 22 1 0 0 0 0
21 33 1 0 0 0 0
22 24 1 0 0 0 0
22 23 2 0 0 0 0
24 25 1 0 0 0 0
27 25 2 0 0 0 0
25 28 1 0 0 0 0
26 27 1 0 0 0 0
26 30 2 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
33 34 1 0 0 0 0
35 34 1 0 0 0 0
34 36 2 0 0 0 0
35 39 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
39 42 1 0 0 0 0
42 43 1 0 0 0 0
M END
> <Name> (22)
2-aminopyrimidine carbamate, 29
> <TARGET> (22)
Src
> <IC50nM> (22)
1
> <ID> (22)
252
> <PN> (22)
1
> <ALLID> (22)
Src-P20
> <xxx> (22)
P
$$$$
39
csChFnd70/05230809552D
49 53 0 0 0 0 0 0 0 0999 V2000
4.8495 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4868 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 8.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 6.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3987 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3987 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 10.4999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 13.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 14.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34 1 1 0 0 0 0
44 1 2 0 0 0 0
1 45 1 0 0 0 0
44 4 1 0 0 0 0
45 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
10 6 2 0 0 0 0
6 11 1 0 0 0 0
7 10 1 0 0 0 0
7 9 2 0 0 0 0
11 8 2 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
12 13 1 0 0 0 0
12 24 1 0 0 0 0
13 15 1 0 0 0 0
13 14 2 0 0 0 0
15 16 1 0 0 0 0
18 16 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 21 2 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
19 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 2 0 0 0 0
24 27 1 0 0 0 0
25 26 1 0 0 0 0
26 29 2 0 0 0 0
28 27 2 0 0 0 0
29 28 1 0 0 0 0
27 32 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 41 1 0 0 0 0
38 41 1 0 0 0 0
41 39 1 0 0 0 0
42 37 1 0 0 0 0
42 40 1 0 0 0 0
37 38 1 0 0 0 0
39 40 1 0 0 0 0
42 43 1 0 0 0 0
44 48 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
48 49 1 0 0 0 0
M END
> <Name> (23)
2-aminopyrimidine carbamate, 39
> <TARGET> (23)
Src
> <IC50nM> (23)
1
> <ID> (23)
253
> <PN> (23)
1
> <ALLID> (23)
Src-P21
> <xxx> (23)
P
$$$$
43
csChFnd70/05230809552D
50 54 0 0 0 0 0 0 0 0999 V2000
3.6373 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4869 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4869 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
13.3366 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 12.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34 1 1 0 0 0 0
37 1 2 0 0 0 0
1 48 1 0 0 0 0
37 4 1 0 0 0 0
48 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
10 6 2 0 0 0 0
6 11 1 0 0 0 0
7 10 1 0 0 0 0
7 9 2 0 0 0 0
11 8 2 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
12 13 1 0 0 0 0
12 24 1 0 0 0 0
13 15 1 0 0 0 0
13 14 2 0 0 0 0
15 16 1 0 0 0 0
18 16 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 21 2 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
19 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 2 0 0 0 0
24 27 1 0 0 0 0
25 26 1 0 0 0 0
26 29 2 0 0 0 0
28 27 2 0 0 0 0
29 28 1 0 0 0 0
27 32 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 38 1 0 0 0 0
38 43 1 0 0 0 0
40 43 1 0 0 0 0
43 41 1 0 0 0 0
39 40 1 0 0 0 0
39 46 1 0 0 0 0
41 42 1 0 0 0 0
42 46 1 0 0 0 0
37 44 1 0 0 0 0
44 45 1 0 0 0 0
46 47 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
M END
> <Name> (24)
2-aminopyrimidine carbamate, 43
> <TARGET> (24)
Src
> <IC50nM> (24)
1
> <ID> (24)
254
> <PN> (24)
1
> <ALLID> (24)
Src-P22
> <xxx> (24)
P
$$$$
34
csChFnd70/05230809552D
46 50 0 0 0 0 0 0 0 0999 V2000
2.4247 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 10.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 22 1 0 0 0 0
21 33 1 0 0 0 0
22 24 1 0 0 0 0
22 23 2 0 0 0 0
24 25 1 0 0 0 0
27 25 2 0 0 0 0
25 28 1 0 0 0 0
26 27 1 0 0 0 0
26 30 2 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
33 34 2 0 0 0 0
33 36 1 0 0 0 0
34 35 1 0 0 0 0
35 38 2 0 0 0 0
37 36 2 0 0 0 0
38 37 1 0 0 0 0
36 41 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
41 42 1 0 0 0 0
9 43 1 0 0 0 0
43 44 1 0 0 0 0
10 45 1 0 0 0 0
45 46 1 0 0 0 0
M END
> <Name> (25)
2-aminopyrimidine carbamate, 34
> <TARGET> (25)
Src
> <IC50nM> (25)
1
> <ID> (25)
255
> <PN> (25)
1
> <ALLID> (25)
Src-P23
> <xxx> (25)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 14
csChFnd70/05230809552D
43 49 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4551 16.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7195 18.8710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2545 20.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6306 19.9338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9510 20.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6103 21.2756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5658 22.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2363 21.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9955 19.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3250 19.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 30 1 0 0 0 0
30 33 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
35 33 1 6 0 0 0
33 34 2 0 0 0 0
36 35 1 0 0 0 0
35 37 1 0 0 0 0
37 36 1 0 0 0 0
37 38 1 1 0 0 0
41 38 1 0 0 0 0
38 42 2 0 0 0 0
39 40 1 0 0 0 0
43 39 2 0 0 0 0
40 41 2 0 0 0 0
42 43 1 0 0 0 0
M END
> <Name> (251)
Pyrazolo[3,4-d]pyrimidine 14
> <TARGET> (251)
Src
> <IC50nM> (251)
27
> <ID> (251)
481
> <PN> (251)
1
> <ALLID> (251)
Src-P249
> <xxx> (251)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 2
csChFnd70/05230809552D
36 41 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0862 17.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4201 17.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3698 18.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9788 18.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2527 16.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6437 16.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2023 17.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 36 2 0 0 0 0
7 8 1 0 0 0 0
8 36 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
23 28 1 0 0 0 0
28 29 1 0 0 0 0
31 29 1 0 0 0 0
29 32 2 0 0 0 0
30 31 2 0 0 0 0
30 34 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
1 35 1 0 0 0 0
M END
> <Name> (275)
Pyrazolo[3,4-d]pyrimidine 2
> <TARGET> (275)
Src
> <IC50nM> (275)
35
> <ID> (275)
505
> <PN> (275)
1
> <ALLID> (275)
Src-P273
> <xxx> (275)
P
$$$$
Pyrrolo[2,3-d]pyrimidine 1
csChFnd70/05230809552D
36 41 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0862 17.0788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4201 17.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3698 18.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9788 18.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2527 16.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6437 16.5361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2023 17.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 8 2 0 0 0 0
7 9 1 0 0 0 0
9 8 1 0 0 0 0
7 5 1 0 0 0 0
10 9 1 1 0 0 0
11 10 1 0 0 0 0
10 12 1 0 0 0 0
11 15 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
14 20 1 6 0 0 0
20 16 1 0 0 0 0
20 19 1 0 0 0 0
16 17 1 0 0 0 0
17 21 1 0 0 0 0
21 18 1 0 0 0 0
18 19 1 0 0 0 0
21 22 1 0 0 0 0
6 23 1 0 0 0 0
26 23 1 0 0 0 0
23 27 2 0 0 0 0
24 25 1 0 0 0 0
24 28 2 0 0 0 0
25 26 2 0 0 0 0
27 28 1 0 0 0 0
24 29 1 0 0 0 0
29 30 1 0 0 0 0
32 30 1 0 0 0 0
30 33 2 0 0 0 0
31 32 2 0 0 0 0
31 35 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
1 36 1 0 0 0 0
M END
> <Name> (289)
Pyrrolo[2,3-d]pyrimidine 1
> <TARGET> (289)
Src
> <IC50nM> (289)
42
> <ID> (289)
519
> <PN> (289)
1
> <ALLID> (289)
Src-P287
> <xxx> (289)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 15
csChFnd70/05230809552D
43 49 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4551 16.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7195 18.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0083 19.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8013 19.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5225 21.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4326 23.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0684 23.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1134 22.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8865 20.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8416 21.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 30 1 0 0 0 0
30 33 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
37 35 1 0 0 0 0
35 36 2 0 0 0 0
38 37 1 0 0 0 0
36 42 1 0 0 0 0
41 38 2 0 0 0 0
39 40 2 0 0 0 0
39 43 1 0 0 0 0
40 41 1 0 0 0 0
42 43 2 0 0 0 0
38 42 1 0 0 0 0
M END
> <Name> (293)
Pyrazolo[3,4-d]pyrimidine 15
> <TARGET> (293)
Src
> <IC50nM> (293)
43
> <ID> (293)
523
> <PN> (293)
1
> <ALLID> (293)
Src-P291
> <xxx> (293)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 3
csChFnd70/05230809552D
36 41 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 17.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3389 18.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9516 18.7988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 16.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6637 16.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1950 17.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 30 1 0 0 0 0
30 31 1 0 0 0 0
33 31 1 0 0 0 0
31 34 2 0 0 0 0
32 33 2 0 0 0 0
32 36 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
M END
> <Name> (326)
Pyrazolo[3,4-d]pyrimidine 3
> <TARGET> (326)
Src
> <IC50nM> (326)
65
> <ID> (326)
556
> <PN> (326)
1
> <ALLID> (326)
Src-P324
> <xxx> (326)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 10
csChFnd70/05230809552D
39 44 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7195 18.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4544 21.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1008 21.2157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7332 19.8647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0731 19.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4405 20.5791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 30 1 0 0 0 0
30 33 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 0 0 0 0
37 34 2 0 0 0 0
34 38 1 0 0 0 0
35 36 2 0 0 0 0
35 39 1 0 0 0 0
36 37 1 0 0 0 0
38 39 2 0 0 0 0
M END
> <Name> (332)
Pyrazolo[3,4-d]pyrimidine 10
> <TARGET> (332)
Src
> <IC50nM> (332)
68
> <ID> (332)
562
> <PN> (332)
1
> <ALLID> (332)
Src-P330
> <xxx> (332)
P
$$$$
31
csChFnd70/05230809552D
44 49 0 0 0 0 0 0 0 0999 V2000
2.4247 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 12.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 8.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 10.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 8.3999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 8.3999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
14.5489 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 10.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 8.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 22 1 0 0 0 0
21 33 1 0 0 0 0
22 24 1 0 0 0 0
22 23 2 0 0 0 0
24 25 1 0 0 0 0
27 25 2 0 0 0 0
25 28 1 0 0 0 0
26 27 1 0 0 0 0
26 30 2 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
33 34 2 0 0 0 0
33 36 1 0 0 0 0
34 35 1 0 0 0 0
35 38 2 0 0 0 0
37 36 2 0 0 0 0
38 37 1 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
39 44 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 43 1 0 0 0 0
43 44 2 0 0 0 0
M END
> <Name> (360)
2-aminopyrimidine carbamate, 31
> <TARGET> (360)
Src
> <IC50nM> (360)
98
> <ID> (360)
590
> <PN> (360)
1
> <ALLID> (360)
Src-P358
> <xxx> (360)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 13
csChFnd70/05230809552D
44 49 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7195 18.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4551 16.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4405 20.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3218 23.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9506 22.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5099 21.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8115 20.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2522 22.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0731 19.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0731 17.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4608 19.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 30 1 0 0 0 0
30 33 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 0 0 0 0
34 42 1 0 0 0 0
33 35 2 0 0 0 0
42 36 1 0 0 0 0
39 36 2 0 0 0 0
36 40 1 0 0 0 0
37 38 2 0 0 0 0
37 41 1 0 0 0 0
38 39 1 0 0 0 0
40 41 2 0 0 0 0
42 43 1 0 0 0 0
42 44 1 0 0 0 0
M END
> <Name> (373)
Pyrazolo[3,4-d]pyrimidine 13
> <TARGET> (373)
Src
> <IC50nM> (373)
115
> <ID> (373)
603
> <PN> (373)
1
> <ALLID> (373)
Src-P371
> <xxx> (373)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 11
csChFnd70/05230809552D
42 47 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 17.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7195 18.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4551 16.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0731 19.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4405 20.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3218 23.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9506 22.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5099 21.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8115 20.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2522 22.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 30 1 0 0 0 0
30 33 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 0 0 0 0
34 36 1 0 0 0 0
33 35 2 0 0 0 0
36 37 1 0 0 0 0
40 37 2 0 0 0 0
37 41 1 0 0 0 0
38 39 2 0 0 0 0
38 42 1 0 0 0 0
39 40 1 0 0 0 0
41 42 2 0 0 0 0
M END
> <Name> (389)
Pyrazolo[3,4-d]pyrimidine 11
> <TARGET> (389)
Src
> <IC50nM> (389)
155
> <ID> (389)
619
> <PN> (389)
1
> <ALLID> (389)
Src-P387
> <xxx> (389)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 5
csChFnd70/05230809552D
40 45 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2113 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 17.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4551 16.5603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7195 18.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4390 21.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0874 21.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7276 19.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0711 19.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4308 20.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1559 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1909 14.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 30 1 0 0 0 0
30 31 1 0 0 0 0
31 33 1 0 0 0 0
31 32 2 0 0 0 0
36 33 2 0 0 0 0
33 37 1 0 0 0 0
34 35 2 0 0 0 0
34 38 1 0 0 0 0
35 36 1 0 0 0 0
37 38 2 0 0 0 0
27 39 1 0 0 0 0
39 40 1 0 0 0 0
M END
> <Name> (401)
Pyrazolo[3,4-d]pyrimidine 5
> <TARGET> (401)
Src
> <IC50nM> (401)
189
> <ID> (401)
631
> <PN> (401)
1
> <ALLID> (401)
Src-P399
> <xxx> (401)
P
$$$$
RPR-108518A
csChFnd70/05230809552D
27 29 0 0 0 0 0 0 0 0999 V2000
3.7771 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7771 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3523 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1398 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3523 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9896 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9896 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2020 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4143 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4143 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2020 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2020 4.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4145 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6268 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4145 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6268 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8393 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8393 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6268 8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8393 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0518 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0518 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0518 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2641 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 9 2 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 10 2 0 0 0 0
2 5 1 0 0 0 0
3 7 1 0 0 0 0
5 6 1 0 0 0 0
7 8 1 0 0 0 0
11 9 1 0 0 0 0
10 9 1 0 0 0 0
10 14 1 0 0 0 0
11 13 2 0 0 0 0
14 12 2 0 0 0 0
12 13 1 0 0 0 0
11 15 1 0 0 0 0
15 16 1 0 0 0 0
18 16 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 21 2 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
17 22 1 0 0 0 0
21 24 1 0 0 0 0
20 26 1 0 0 0 0
22 23 1 0 0 0 0
24 25 1 0 0 0 0
26 27 1 0 0 0 0
M END
> <Name> (432)
RPR-108518A
> <TARGET> (432)
Src
> <IC50nM> (432)
280
> <ID> (432)
662
> <PN> (432)
1
> <ALLID> (432)
Src-P430
> <xxx> (432)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 7
csChFnd70/05230809552D
41 46 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3789 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1889 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5456 7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2113 7.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5902 5.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3810 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1153 2.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6929 3.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1706 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5930 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1889 12.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 15.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4531 15.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1539 13.9183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5229 13.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8219 14.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4202 17.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4550 16.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1559 15.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1908 14.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7194 18.8707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0534 19.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9280 20.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5467 20.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9414 18.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3227 18.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8160 19.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 30 1 0 0 0 0
30 31 1 0 0 0 0
31 35 1 0 0 0 0
31 32 2 0 0 0 0
27 33 1 0 0 0 0
33 34 1 0 0 0 0
35 36 1 0 0 0 0
38 36 1 0 0 0 0
36 39 2 0 0 0 0
37 38 2 0 0 0 0
37 41 1 0 0 0 0
39 40 1 0 0 0 0
40 41 2 0 0 0 0
M END
> <Name> (439)
Pyrazolo[3,4-d]pyrimidine 7
> <TARGET> (439)
Src
> <IC50nM> (439)
310
> <ID> (439)
669
> <PN> (439)
1
> <ALLID> (439)
Src-P437
> <xxx> (439)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 4
csChFnd70/05230809552D
37 42 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3789 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1889 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5456 7.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2113 7.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3810 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1153 2.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1706 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5930 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1889 12.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 15.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4531 15.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5229 13.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8219 14.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 17.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3388 18.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9516 18.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2764 16.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6636 16.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1949 17.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0513 18.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 36 1 0 0 0 0
36 30 1 0 0 0 0
32 30 1 0 0 0 0
30 33 2 0 0 0 0
31 32 2 0 0 0 0
31 35 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
36 37 2 0 0 0 0
M END
> <Name> (465)
Pyrazolo[3,4-d]pyrimidine 4
> <TARGET> (465)
Src
> <IC50nM> (465)
427
> <ID> (465)
695
> <PN> (465)
1
> <ALLID> (465)
Src-P463
> <xxx> (465)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 12
csChFnd70/05230809552D
44 49 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3259 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7871 15.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5229 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 17.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7195 18.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4551 16.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0731 19.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4405 20.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3218 23.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9506 22.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5099 21.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8115 20.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2522 22.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7086 19.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0699 20.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 30 1 0 0 0 0
30 33 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
33 34 1 0 0 0 0
34 36 1 0 0 0 0
33 35 2 0 0 0 0
36 37 1 0 0 0 0
40 37 2 0 0 0 0
37 41 1 0 0 0 0
38 39 2 0 0 0 0
38 42 1 0 0 0 0
39 40 1 0 0 0 0
41 42 2 0 0 0 0
34 43 1 0 0 0 0
34 44 1 0 0 0 0
M END
> <Name> (475)
Pyrazolo[3,4-d]pyrimidine 12
> <TARGET> (475)
Src
> <IC50nM> (475)
460
> <ID> (475)
705
> <PN> (475)
1
> <ALLID> (475)
Src-P473
> <xxx> (475)
P
$$$$
Pyrazolo[3,4-d]pyrimidine 9
csChFnd70/05230809552D
42 47 0 0 0 0 0 0 0 0999 V2000
1.2125 11.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.1115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 11.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 11.6442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 9.3790 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.1890 8.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5457 7.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2114 7.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5903 5.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9468 5.3521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9246 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3811 2.9712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8034 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1154 2.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 3.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3260 4.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1707 1.3347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5931 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1890 12.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7872 15.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4532 15.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1540 13.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5230 13.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8220 14.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 13.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5791 10.5115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0863 17.0786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1560 15.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1909 14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 17.5034 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.8203 17.5034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4203 16.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7195 18.8710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0535 19.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8942 20.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5183 20.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9649 18.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3408 18.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8056 19.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
3 2 2 0 0 0 0
2 4 1 0 0 0 0
4 7 2 0 0 0 0
6 5 1 0 0 0 0
6 29 2 0 0 0 0
7 8 1 0 0 0 0
8 29 1 0 0 0 0
7 5 1 0 0 0 0
9 8 1 1 0 0 0
10 9 1 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
13 19 1 6 0 0 0
19 15 1 0 0 0 0
19 18 1 0 0 0 0
15 16 1 0 0 0 0
16 20 1 0 0 0 0
20 17 1 0 0 0 0
17 18 1 0 0 0 0
20 21 1 0 0 0 0
6 22 1 0 0 0 0
25 22 1 0 0 0 0
22 26 2 0 0 0 0
23 24 1 0 0 0 0
23 27 2 0 0 0 0
24 25 2 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
23 30 1 0 0 0 0
30 33 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
33 36 1 0 0 0 0
33 35 2 0 0 0 0
33 34 2 0 0 0 0
36 37 1 0 0 0 0
39 37 1 0 0 0 0
37 40 2 0 0 0 0
38 39 2 0 0 0 0
38 42 1 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
M END
> <Name> (476)
Pyrazolo[3,4-d]pyrimidine 9
> <TARGET> (476)
Src
> <IC50nM> (476)
463
> <ID> (476)
706
> <PN> (476)
1
> <ALLID> (476)
Src-P474
> <xxx> (476)
P
$$$$
32
csChFnd70/05230809552D
44 49 0 0 0 0 0 0 0 0999 V2000
2.4247 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 10.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 22 1 0 0 0 0
21 33 1 0 0 0 0
22 24 1 0 0 0 0
22 23 2 0 0 0 0
24 25 1 0 0 0 0
27 25 2 0 0 0 0
25 28 1 0 0 0 0
26 27 1 0 0 0 0
26 30 2 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
33 34 2 0 0 0 0
33 36 1 0 0 0 0
34 35 1 0 0 0 0
35 38 2 0 0 0 0
37 36 2 0 0 0 0
38 37 1 0 0 0 0
37 39 1 0 0 0 0
40 39 1 0 0 0 0
39 41 2 0 0 0 0
40 44 2 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
43 44 1 0 0 0 0
M END
> <Name> (485)
2-aminopyrimidine carbamate, 32
> <TARGET> (485)
Src
> <IC50nM> (485)
500
> <ID> (485)
715
> <PN> (485)
1
> <ALLID> (485)
Src-P483
> <xxx> (485)
P
$$$$
33
csChFnd70/05230809552D
44 48 0 0 0 0 0 0 0 0999 V2000
2.4247 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 10.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 22 1 0 0 0 0
21 33 1 0 0 0 0
22 24 1 0 0 0 0
22 23 2 0 0 0 0
24 25 1 0 0 0 0
27 25 2 0 0 0 0
25 28 1 0 0 0 0
26 27 1 0 0 0 0
26 30 2 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
33 34 2 0 0 0 0
33 36 1 0 0 0 0
34 35 1 0 0 0 0
35 38 2 0 0 0 0
37 36 2 0 0 0 0
38 37 1 0 0 0 0
36 41 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
41 42 1 0 0 0 0
9 43 1 0 0 0 0
43 44 1 0 0 0 0
M END
> <Name> (52)
2-aminopyrimidine carbamate, 33
> <TARGET> (52)
Src
> <IC50nM> (52)
2
> <ID> (52)
282
> <PN> (52)
1
> <ALLID> (52)
Src-P50
> <xxx> (52)
P
$$$$
42
csChFnd70/05230809552D
48 52 0 0 0 0 0 0 0 0999 V2000
3.6373 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4869 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4869 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
13.3366 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 10.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 11.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 12.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34 1 1 0 0 0 0
37 1 2 0 0 0 0
1 38 1 0 0 0 0
37 4 1 0 0 0 0
38 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
10 6 2 0 0 0 0
6 11 1 0 0 0 0
7 10 1 0 0 0 0
7 9 2 0 0 0 0
11 8 2 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
12 13 1 0 0 0 0
12 24 1 0 0 0 0
13 15 1 0 0 0 0
13 14 2 0 0 0 0
15 16 1 0 0 0 0
18 16 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 21 2 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
19 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 2 0 0 0 0
24 27 1 0 0 0 0
25 26 1 0 0 0 0
26 29 2 0 0 0 0
28 27 2 0 0 0 0
29 28 1 0 0 0 0
27 32 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 39 1 0 0 0 0
39 44 1 0 0 0 0
41 44 1 0 0 0 0
44 42 1 0 0 0 0
40 41 1 0 0 0 0
40 47 1 0 0 0 0
42 43 1 0 0 0 0
43 47 1 0 0 0 0
37 45 1 0 0 0 0
45 46 1 0 0 0 0
47 48 1 0 0 0 0
M END
> <Name> (53)
2-aminopyrimidine carbamate, 42
> <TARGET> (53)
Src
> <IC50nM> (53)
2
> <ID> (53)
283
> <PN> (53)
1
> <ALLID> (53)
Src-P51
> <xxx> (53)
P
$$$$
40
csChFnd70/05230809552D
48 52 0 0 0 0 0 0 0 0999 V2000
4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 10.4998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 13.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
34 1 1 0 0 0 0
42 1 2 0 0 0 0
1 43 1 0 0 0 0
42 4 1 0 0 0 0
43 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
10 6 2 0 0 0 0
6 11 1 0 0 0 0
7 10 1 0 0 0 0
7 9 2 0 0 0 0
11 8 2 0 0 0 0
8 9 1 0 0 0 0
8 12 1 0 0 0 0
12 13 1 0 0 0 0
12 24 1 0 0 0 0
13 15 1 0 0 0 0
13 14 2 0 0 0 0
15 16 1 0 0 0 0
18 16 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 21 2 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
19 22 1 0 0 0 0
18 23 1 0 0 0 0
24 25 2 0 0 0 0
24 27 1 0 0 0 0
25 26 1 0 0 0 0
26 29 2 0 0 0 0
28 27 2 0 0 0 0
29 28 1 0 0 0 0
27 32 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 41 1 0 0 0 0
38 41 1 0 0 0 0
41 39 1 0 0 0 0
48 37 1 0 0 0 0
48 40 1 0 0 0 0
37 38 1 0 0 0 0
39 40 1 0 0 0 0
42 46 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
46 47 1 0 0 0 0
M END
> <Name> (54)
2-aminopyrimidine carbamate, 40
> <TARGET> (54)
Src
> <IC50nM> (54)
2
> <ID> (54)
284
> <PN> (54)
1
> <ALLID> (54)
Src-P52
> <xxx> (54)
P
$$$$
35
csChFnd70/05230809552D
43 47 0 0 0 0 0 0 0 0999 V2000
2.4247 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 10.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
14.5489 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 10.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 22 1 0 0 0 0
21 33 1 0 0 0 0
22 24 1 0 0 0 0
22 23 2 0 0 0 0
24 25 1 0 0 0 0
27 25 2 0 0 0 0
25 28 1 0 0 0 0
26 27 1 0 0 0 0
26 30 2 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
28 31 1 0 0 0 0
27 32 1 0 0 0 0
33 34 2 0 0 0 0
33 36 1 0 0 0 0
34 35 1 0 0 0 0
35 38 2 0 0 0 0
37 36 2 0 0 0 0
38 37 1 0 0 0 0
36 41 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
41 42 1 0 0 0 0
9 43 1 0 0 0 0
M END
> <Name> (55)
2-aminopyrimidine carbamate, 35
> <TARGET> (55)
Src
> <IC50nM> (55)
2
> <ID> (55)
285
> <PN> (55)
1
> <ALLID> (55)
Src-P53
> <xxx> (55)
P
$$$$
26
csChFnd70/05230809552D
40 44 0 0 0 0 0 0 0 0999 V2000
2.4247 11.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 9.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 10.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 10.4997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 9.0995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 6.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 8.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 6.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 8.3997 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 6.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 6.2996 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
13.3365 4.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1243 4.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1246 2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3371 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5494 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 6.9995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 8.3995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 6.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 6.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 6.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 6.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 8.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 9.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3376 0.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5501 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 28 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 27 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
28 30 1 0 0 0 0
28 29 2 0 0 0 0
30 31 1 0 0 0 0
33 31 2 0 0 0 0
31 34 1 0 0 0 0
32 33 1 0 0 0 0
32 36 2 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
33 37 1 0 0 0 0
34 38 1 0 0 0 0
25 39 1 0 0 0 0
39 40 1 0 0 0 0
M END
> <Name> (77)
2-aminopyrimidine carbamate, 26
> <TARGET> (77)
Src
> <IC50nM> (77)
3
> <ID> (77)
307
> <PN> (77)
1
> <ALLID> (77)
Src-P75
> <xxx> (77)
P
$$$$
37
csChFnd70/05230809552D
42 45 0 0 0 0 0 0 0 0999 V2000
6.0621 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2746 9.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0621 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2746 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4870 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4870 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9118 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1243 9.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9118 8.4001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1243 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 6.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
15.7616 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7616 8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9741 6.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.1864 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3989 9.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1864 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3989 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6114 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6114 8.4001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3989 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9741 9.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3368 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3368 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7616 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7616 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3368 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9741 4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.1864 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8498 9.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6373 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 11.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 12.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36 1 1 0 0 0 0
2 1 2 0 0 0 0
1 3 1 0 0 0 0
2 6 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
12 8 2 0 0 0 0
8 13 1 0 0 0 0
9 12 1 0 0 0 0
9 11 2 0 0 0 0
13 10 2 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
14 15 1 0 0 0 0
14 26 1 0 0 0 0
15 17 1 0 0 0 0
15 16 2 0 0 0 0
17 18 1 0 0 0 0
20 18 2 0 0 0 0
18 21 1 0 0 0 0
19 20 1 0 0 0 0
19 23 2 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
21 24 1 0 0 0 0
20 25 1 0 0 0 0
26 27 2 0 0 0 0
26 29 1 0 0 0 0
27 28 1 0 0 0 0
28 31 2 0 0 0 0
30 29 2 0 0 0 0
31 30 1 0 0 0 0
29 34 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
M END
> <Name> (86)
2-aminopyrimidine carbamate, 37
> <TARGET> (86)
Src
> <IC50nM> (86)
4
> <ID> (86)
316
> <PN> (86)
1
> <ALLID> (86)
Src-P84
> <xxx> (86)
P
$$$$
36
csChFnd70/05230809552D
41 44 0 0 0 0 0 0 0 0999 V2000
4.8497 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8497 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0622 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2746 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2746 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4869 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1242 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6994 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9119 6.2999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 6.2999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
14.5491 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 8.3998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7616 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3988 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3988 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1863 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7616 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1243 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1243 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3366 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1243 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7616 4.8999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9739 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6374 9.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4249 8.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 9.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 10.4998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4249 11.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36 1 1 0 0 0 0
2 1 2 0 0 0 0
1 3 1 0 0 0 0
2 6 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
12 8 2 0 0 0 0
8 13 1 0 0 0 0
9 12 1 0 0 0 0
9 11 2 0 0 0 0
13 10 2 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
14 15 1 0 0 0 0
14 26 1 0 0 0 0
15 17 1 0 0 0 0
15 16 2 0 0 0 0
17 18 1 0 0 0 0
20 18 2 0 0 0 0
18 21 1 0 0 0 0
19 20 1 0 0 0 0
19 23 2 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
21 24 1 0 0 0 0
20 25 1 0 0 0 0
26 27 2 0 0 0 0
26 29 1 0 0 0 0
27 28 1 0 0 0 0
28 31 2 0 0 0 0
30 29 2 0 0 0 0
31 30 1 0 0 0 0
29 34 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
34 35 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
M END
> <Name> (87)
2-aminopyrimidine carbamate, 36
> <TARGET> (87)
Src
> <IC50nM> (87)
4
> <ID> (87)
317
> <PN> (87)
1
> <ALLID> (87)
Src-P85
> <xxx> (87)
P
$$$$
25
csChFnd70/05230809552D
40 44 0 0 0 0 0 0 0 0999 V2000
2.4247 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4247 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 8.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2123 8.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 6.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 9.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8495 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0620 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2745 6.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4867 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1240 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6992 6.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9117 4.1999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.3365 4.1999 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
13.3365 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1243 2.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1246 0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3371 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5494 0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5491 2.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 4.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5489 6.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 4.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 4.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 4.9001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3986 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 7.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1862 2.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7614 2.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.9737 2.1006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 4 1 0 0 0 0
5 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
6 4 1 0 0 0 0
5 7 1 0 0 0 0
6 8 1 0 0 0 0
9 8 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
19 15 2 0 0 0 0
15 20 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
20 17 2 0 0 0 0
17 18 1 0 0 0 0
17 21 1 0 0 0 0
21 28 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 27 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
28 30 1 0 0 0 0
28 29 2 0 0 0 0
30 31 1 0 0 0 0
33 31 2 0 0 0 0
31 34 1 0 0 0 0
32 33 1 0 0 0 0
32 36 2 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
33 37 1 0 0 0 0
34 38 1 0 0 0 0
27 39 1 0 0 0 0
39 40 1 0 0 0 0
M END
> <Name> (88)
2-aminopyrimidine carbamate, 25
> <TARGET> (88)
Src
> <IC50nM> (88)
4
> <ID> (88)
318
> <PN> (88)
1
> <ALLID> (88)
Src-P86
> <xxx> (88)
P
$$$$