0  B7R0.5  CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,0,1,0,0,0|1,0,2]=4
1  B7R0.7  C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,0,1,0,0,0|1,0,2]=4
2  B7R0.7  CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,0,1,0,0,0|1,0,2]=4
3  B10R1.130  CCNc1cc(nn1C)C 0a0f87408d82c8da00ac2d3dc11e3746 [0,2,0,0,0,0|2,0,0]=4
4  B10R1.130  CCNc1cn(nc1C)C f7f3c60f03f6a4d9f4ee00bd49b74869 [0,2,0,0,0,0|2,0,0]=4
5  B10R1.130  CCNc1nc(nn1C)C f8725fcfe8d556b959f0d2ab6afb606e [0,2,0,0,0,0|2,0,0]=4
6  B10R1.130  CCNc1nn(cc1C)C 3e58fcdfbc410a15afe8aca3b3bad037 [0,2,0,0,0,0|2,0,0]=4
7  B10R1.130  CCOc1[nH]c(nc1C)C 81be7bfb35ff0e08bffa8f8fe586d83d [0,2,0,0,0,0|1,0,0]=3
8  B10R1.130  CCOc1cc(nn1C)C b13ba40b8dbd6c1b0179d8d0727c0241 [0,2,0,0,0,0|2,0,0]=4
9  B10R1.130  CCOc1cn(nc1C)C 1ba21a1985b4bfaa7fcb012d8bf72ca8 [0,2,0,0,0,0|2,0,0]=4
10  B10R1.130  Cc1cc(n(n1)C)NCF 5e47ea21428ef3ec5bc62ea94331a1d6 [0,2,0,0,0,0|2,0,0]=4
11  B10R1.130  Cc1cc(n(n1)C)NCO 572c6956bc71a1e41b339b78f7d9abd1 [0,2,0,0,0,0|2,0,0]=4
12  B10R1.130  Cc1cc(n(n1)C)OCF ac526a8bc29257ac8d523a21c8078224 [0,2,0,0,0,0|2,0,0]=4
13  B10R1.130  Cc1cn(nc1NCF)C bcf1cbcfd106b90416acbbb2c8f068b5 [0,2,0,0,0,0|2,0,0]=4
14  B10R1.130  Cc1cn(nc1NCO)C c6582d873f5b715f6c9d198c6f53dcac [0,2,0,0,0,0|2,0,0]=4
15  B10R1.130  Cc1nc(c([nH]1)OCF)C 54418595c555ecdd03c8203eb30668aa [0,2,0,0,0,0|1,0,0]=3
16  B10R1.130  Cc1nc(n(n1)C)NCF 6d28fc87e1234c8762d39cfa6b2a34d6 [0,2,0,0,0,0|2,0,0]=4
17  B10R1.130  Cc1nc(n(n1)C)NCO 9b2d10e90af7a9a8e840df995ff76515 [0,2,0,0,0,0|2,0,0]=4
18  B10R1.130  Cc1nn(cc1NCF)C 33b53b726906fa03dea2cec214b74df9 [0,2,0,0,0,0|2,0,0]=4
19  B10R1.130  Cc1nn(cc1NCO)C 62a43f1f22b6cb4075a783b6d35f4ab0 [0,2,0,0,0,0|2,0,0]=4
20  B10R1.130  Cc1nn(cc1OCF)C 1a2b75fe889e3e6e7b6eb773f3db9c18 [0,2,0,0,0,0|2,0,0]=4
21  B10R1.131  CCNc1cc(n(n1)C)C dbd541dd5c53bbc341873360906e7745 [0,2,0,0,0,0|2,0,0]=4
22  B10R1.131  CCNc1nc(c([nH]1)C)C aba10d739c18245e39d14f0d8f1f4530 [0,2,0,0,0,0|1,0,0]=3
23  B10R1.131  CCNc1nc(c(o1)C)C 79929d84ec764a930cfda2a36c737b77 [0,2,0,0,0,0|0,0,0]=2
24  B10R1.131  CCNc1nc(c(s1)Br)C 825d9c98c48d1301860a05782693b566 [0,2,0,0,0,0|1,1,0]=4
25  B10R1.131  CCNc1nc(c(s1)C)Br e6a7f81162fa83f996dbeef90c49ecad [0,2,0,0,0,0|1,1,0]=4
26  B10R1.131  CCNc1nc(c(s1)C)C e0e7c2f2926b589139339fa6bdd270c0 [0,2,0,0,0,0|0,1,0]=3
27  B10R1.131  CCNc1nc(c(s1)Cl)C d6e4cb29fca047755a2175f1de309168 [0,2,0,0,0,0|1,1,0]=4
28  B10R1.131  CCNc1nc(c(s1)I)C 32dbb3e7bb33260eb8f5415b5def0625 [0,2,0,0,0,0|1,1,0]=4
29  B10R1.131  CCNc1nc(n(n1)C)C 5f0808fcbe0af1a1cc821c8d3b1bd3da [0,2,0,0,0,0|2,0,0]=4
30  B10R1.131  Cc1cc(nn1C)NCF 9443666b60bb04b24a065e69fb1d4035 [0,2,0,0,0,0|2,0,0]=4
31  B10R1.131  Cc1cc(nn1C)NCO 50bd5e333ca70bed7e7589188799ff16 [0,2,0,0,0,0|2,0,0]=4
32  B10R1.131  Cc1nc([nH]c1C)NCF f36672060dc4a577a7f9c25beef2e223 [0,2,0,0,0,0|1,0,0]=3
33  B10R1.131  Cc1nc([nH]c1C)NCO bfca54bb7d452c0b1ec02082c47e5fcc [0,2,0,0,0,0|1,0,0]=3
34  B10R1.131  Cc1nc(nn1C)NCF e718d17efc882803b421d9075faf989a [0,2,0,0,0,0|2,0,0]=4
35  B10R1.131  Cc1nc(nn1C)NCO 690e16a3eb25a107cf3db37b4c0323d1 [0,2,0,0,0,0|2,0,0]=4
36  B10R1.131  Cc1nc(oc1C)NC#N 9d08f0ef30877d45b304c285ab34916a [0,2,0,0,0,0|0,0,1]=3
37  B10R1.131  Cc1nc(oc1C)NC=O f400ebc04b5d01804b8df190c0d15a1e [0,2,0,0,0,0|0,0,1]=3
38  B10R1.131  Cc1nc(oc1C)NCF 7e1a624effd472890c371859ed001593 [0,2,0,0,0,0|0,0,0]=2
39  B10R1.131  Cc1nc(sc1Br)NCF 5f285e86ba9114c607c2fe15cf88e027 [0,2,0,0,0,0|1,1,0]=4
40  B10R1.131  Cc1nc(sc1Br)NCO 1792b63beae7e9ea1aef61fcef2cfd23 [0,2,0,0,0,0|1,1,0]=4
41  B10R1.131  Cc1nc(sc1C)NCF 6e8c3be0393cf485e1b405a9b35b99c5 [0,2,0,0,0,0|0,1,0]=3
42  B10R1.131  Cc1nc(sc1C)NCO 97871e49110ecee53bb2bb9c0e6d42f8 [0,2,0,0,0,0|0,1,0]=3
43  B10R1.131  Cc1nc(sc1Cl)NCF 6a36e9e25e7ec51593c2c47f66d24e8b [0,2,0,0,0,0|1,1,0]=4
44  B10R1.131  Cc1nc(sc1Cl)NCO 5597266afacd410bb28233b9859ee365 [0,2,0,0,0,0|1,1,0]=4
45  B10R1.131  Cc1nc(sc1I)NCF 6e6faeef1e1fe85c1c8772eb588c3cdd [0,2,0,0,0,0|1,1,0]=4
46  B10R1.131  Cc1nc(sc1I)NCO 2148fd0254f28ce21b6df1d590873382 [0,2,0,0,0,0|1,1,0]=4
47  B10R1.131  Cc1sc(nc1Br)NCF ade87e41b6f1143c90921d65db596db8 [0,2,0,0,0,0|1,1,0]=4
48  B10R1.131  Cc1sc(nc1Br)NCO 84f28d80c42e0425081cb137dcc899fa [0,2,0,0,0,0|1,1,0]=4