0  B12R2.144  OCNc1nnc2n1nc[nH]2 2c742c162f0411bd8914aae8140bdf31 [0,1,0,0,0,0|2,0,1]=4
1  B10R1.21  O/C=C\CNc1cccs1 4950d52a683e52fb0875f17a49eb0e8d [0,0,1,0,0,0|2,0,1]=4
2  B10R1.21  O/C=C\CNc1ncc[nH]1 730fa16eba4f6ba08b614779c4795b15 [0,0,1,0,0,0|2,0,1]=4
3  B11R1.4  O/C=C\CNCc1ccc[nH]1 cdc64afbe373c5ed509d1453f1588f9b [0,1,1,0,0,0|1,0,1]=4
4  B13R2.1  CCNc1nnc2n1cccc2 b543eabd973f5d88319535af99b12e91 [0,1,0,0,0,1|1,0,1]=4
5  B13R2.1  CCNc1nnc2n1cccn2 3ad58e9c00cec91696cf845cd02229e7 [0,1,0,0,0,1|1,0,1]=4
6  B13R2.1  CCNc1nnc2n1ccnc2 0740bd9d8beb5a77b2f57517da22d411 [0,1,0,0,0,1|1,0,1]=4
7  B13R2.1  FCNc1nnc2n1cccc2 794f9d2021497382536ec471beea775e [0,1,0,0,0,1|1,0,1]=4
8  B13R2.1  FCNc1nnc2n1cccn2 69dc1e4d5ac57dce737c8446e449202f [0,1,0,0,0,1|1,0,1]=4
9  B13R2.1  FCNc1nnc2n1ccnc2 d17a6acdb9c7d4df3ee3f4b63a64b92a [0,1,0,0,0,1|1,0,1]=4
10  B13R2.1  N#CNc1nnc2n1cccc2 2ddb59a711e8c06b3253c0a8dc149afd [0,1,0,0,0,1|1,0,1]=4
11  B13R2.1  N#CNc1nnc2n1nccc2 2020ed4812daa35070974237a5c53807 [0,1,0,0,0,1|1,0,1]=4
12  B13R2.1  O=CNc1cnc2n1cccc2 77adfad380951ccb6a2c83f4b50e13c0 [0,1,0,0,0,1|1,0,1]=4
13  B13R2.1  O=CNc1cnc2n1ccnc2 230fae5841249cbf1fb3e2355cc561ef [0,1,0,0,0,1|1,0,1]=4
14  B13R2.1  O=CNc1cnc2n1nccc2 8aa99d0bde188e3a66c5ee78cc1d72fc [0,1,0,0,0,1|1,0,1]=4
15  B13R2.1  OCNc1cnc2n1cccc2 0056fceba22980a1bd1326116f3906c6 [0,1,0,0,0,1|1,0,1]=4
16  B13R2.1  OCNc1cnc2n1ccnc2 eb902c64ffc1e4768db9a4c4037261b9 [0,1,0,0,0,1|1,0,1]=4
17  B13R2.1  OCNc1cnc2n1nccc2 f1cd9ba1bdf86a7249b75e3086b4eeb2 [0,1,0,0,0,1|1,0,1]=4
18  B13R2.1  OCNc1ncc2n1cccc2 4230129267b1f0c705012c79a7db52ac [0,1,0,0,0,1|1,0,1]=4
19  B13R2.1  OCNc1nnc2n1cccc2 277513d4ee196420b027881d237f3e59 [0,1,0,0,0,1|0,0,1]=3
20  B13R2.1  OCNc1nnc2n1cccn2 34d49d960cbff3de7422171c18b52e98 [0,1,0,0,0,1|0,0,1]=3
21  B13R2.1  OCNc1nnc2n1ccnc2 4c84cffbecb2dbb4002129aedb3968a3 [0,1,0,0,0,1|0,0,1]=3
22  B11R2.2  c1ccn(c1)c2ccns2 6eaea84d4bb1f4070f166a2ee19b5ca1 [0,0,1,1,0,0|2,0,0]=4
23  B11R2.2  c1ccn(c1)c2cnsc2 d5f7a0c58ccafd1cac2b3b1779f41a7b [0,0,1,1,0,0|1,1,0]=4
24  B11R2.2  c1ccn(c1)c2csnn2 fb5b0a70462b9e96357ffca7e5c861f4 [0,0,1,1,0,0|0,1,0]=3
25  B11R2.2  c1ccn(c1)c2nnco2 3b40401713060240d8d047d71d037eb4 [0,0,1,1,0,0|2,0,0]=4
26  B11R2.2  c1cnn(c1)c2csnn2 5f4685989ce2214f2b7923f3fe810c68 [0,0,1,1,0,0|1,1,0]=4
27  B12R1.337  C=CCNc1nnc([nH]1)C(=O)O b2ba2802e3be9173c671ad003f405028 [0,2,1,0,0,0|0,0,1]=4
28  B14R2.3  C=CCNc1nnc2n1cccc2 4bf7d912b52984e3235f22ad51ef6508 [0,2,0,0,0,1|1,0,0]=4
29  B14R2.3  C=CCNc1nnc2n1cccn2 bcb7eeca376ae2788b3f0d3c1ba8389c [0,2,0,0,0,1|1,0,0]=4
30  B14R2.3  C=CCNc1nnc2n1ccnc2 c2b4fefe8ac25bf0acd24a8db4936e49 [0,2,0,0,0,1|1,0,0]=4
31  B14R2.3  CCOCc1nnc2n1cccc2 69cf7d08231cd4d1f646c9ccafe79317 [0,2,0,0,0,1|0,0,1]=4
32  B14R2.3  COCNc1nnc2n1cccc2 87efe3dcdd79f5bf4567fcea5b36c798 [0,2,0,0,0,1|0,0,1]=4
33  B14R2.3  COCNc1nnc2n1cccn2 e5fdcf97ef3d6c62c0c9ca7dc02e3983 [0,2,0,0,0,1|0,0,1]=4
34  B14R2.3  COCNc1nnc2n1ccnc2 0c0e3fbe8a1fca72390948dde6c0e530 [0,2,0,0,0,1|0,0,1]=4
35  B14R2.3  FCOCc1nnc2n1cccc2 ee35a6db02e36b3294ebef5cb8b52d2c [0,2,0,0,0,1|0,0,1]=4
36  B14R2.3  O=CCNc1nnc2n1cccc2 1a400d330de493a148d173b4c264961c [0,2,0,0,0,1|0,0,1]=4
37  B14R2.3  O=CCNc1nnc2n1cccn2 7935eb86fca8277634e3502bcade9950 [0,2,0,0,0,1|0,0,1]=4
38  B14R2.3  O=CCNc1nnc2n1ccnc2 2d9d2c7c8349cd2a2d62320b8f6d3462 [0,2,0,0,0,1|0,0,1]=4
39  B14R2.3  O=CNCc1nnc2n1cccc2 9c6274fd21d470aa50812fb9d7db49e5 [0,2,0,0,0,1|0,0,1]=4
40  B14R2.3  OCCNc1nnc2n1cccc2 ae4021d9d4dbe4f07190edcfc6287043 [0,2,0,0,0,1|0,0,1]=4
41  B14R2.3  OCCNc1nnc2n1cccn2 ad9f4a7bb06083b10f941bfb762652d5 [0,2,0,0,0,1|0,0,1]=4
42  B14R2.3  OCCNc1nnc2n1ccnc2 c83ac317421b7fdf3e46fc866d998480 [0,2,0,0,0,1|0,0,1]=4
43  B14R2.3  OCCNc1nnc2n1nccc2 89fe1c4842e5b9520453081e5399f2f6 [0,2,0,0,0,1|0,0,1]=4
44  B14R2.3  OCNCc1nnc2n1cccc2 c6311217fadc65343114d96f8b9c3b55 [0,2,0,0,0,1|0,0,1]=4
45  B14R2.7  OCNc1nnc2n1cccc2Br 6938734debf2c910999773ff788d934b [0,2,0,0,0,1|0,0,1]=4
46  B14R2.7  OCNc1nnc2n1cccc2Cl 5f1ecff8bd768b582aa44faccece9051 [0,2,0,0,0,1|0,0,1]=4
47  B14R2.467  Cc1ccn2c(nnc2n1)NCO 3381c52b155bfadd219c4e19806729aa [0,2,0,0,0,1|0,0,1]=4
48  B14R2.467  OCNc1nnc2n1ccc(c2)Br d8001b1067b8d9997796c5cf5e01b341 [0,2,0,0,0,1|0,0,1]=4
49  B14R2.467  OCNc1nnc2n1cnc(c2)Cl 44f093404d56b0461097b0ced1ff1663 [0,2,0,0,0,1|0,0,1]=4
50  B14R2.6368  OCNc1nnc2n1c(ccc2)Br 30ded39f8935eeba9c8f7d719016c371 [0,2,0,0,0,1|0,0,1]=4
51  B14R2.6368  OCNc1nnc2n1c(ccc2)Cl 0fbe6eddade5784168524428a10271a6 [0,2,0,0,0,1|0,0,1]=4
52  B14R2.6419  OCNc1nnc2n1cc(cc2)Br af99e7feec1b6e6508473ea9cca716a4 [0,2,0,0,0,1|0,0,1]=4
53  B14R2.6419  OCNc1nnc2n1cc(cc2)Cl fd4e1de16864a39162bc370e112d32ef [0,2,0,0,0,1|0,0,1]=4
54  B14R2.6419  OCNc1nnc2n1nc(cc2)Cl e3305a782a326cdfb2bc0c9f5d12d159 [0,2,0,0,0,1|0,0,1]=4
55  B14R2.527  OCNc1ncnc2n1ccc2I ea175f61bca4ae33701cc9459e49a536 [0,2,0,0,0,1|0,0,1]=4