0  B9R1.12  C=CCOn1ccnc1 faa6a9edd76013c629872426e7fc118d [0,0,1,0,0,0|3,0,0]=4
1  B13R2.1  CCNc1nnc2n1cccc2 b543eabd973f5d88319535af99b12e91 [0,3,0,0,0,0|1,0,0]=4
2  B13R2.1  FCNc1nnc2n1cccc2 794f9d2021497382536ec471beea775e [0,3,0,0,0,0|1,0,0]=4
3  B13R2.1  N#CNc1nnc2n1cccc2 2ddb59a711e8c06b3253c0a8dc149afd [0,3,0,0,0,0|1,0,0]=4
4  B13R2.1  OCNc1nnc2n1cccc2 277513d4ee196420b027881d237f3e59 [0,3,0,0,0,0|1,0,0]=4
5  B13R2.449  CCNc1cc2nccn2cn1 f42a9ada1a422fd6253304fab9f31c91 [0,3,0,0,0,0|1,0,0]=4
6  B13R2.449  CCNc1ccc2nncn2c1 dd17c6fe95d30cbc7f0b6a87ea53404b [0,3,0,0,0,0|1,0,0]=4
7  B13R2.449  CCNc1ccn2cnnc2c1 81de73b1a58b41e6fa5e85be8def82cf [0,3,0,0,0,0|1,0,0]=4
8  B13R2.449  CCOc1ccn2cnnc2c1 ecefde16836d9d91aff599eadb0c52fd [0,3,0,0,0,0|1,0,0]=4
9  B13R2.449  FCNc1cc2nccn2cn1 a9525d351128116c03525f11f8000aed [0,3,0,0,0,0|1,0,0]=4
10  B13R2.449  FCNc1ccc2nncn2c1 eb74e45e0e46539616b9254166a31240 [0,3,0,0,0,0|1,0,0]=4
11  B13R2.449  FCNc1ccn2cnnc2c1 a087610aa906b97d036c0beac04a7d33 [0,3,0,0,0,0|1,0,0]=4
12  B13R2.449  FCOc1ccn2cnnc2c1 71a5c52a19117b86b577e7c7b6069750 [0,3,0,0,0,0|1,0,0]=4
13  B13R2.449  N#CNc1cc2nccn2cn1 184cf9c6b1234807e41ad35e29e855ec [0,3,0,0,0,0|1,0,0]=4
14  B13R2.449  O=CNc1cc2nccn2cn1 2da9f4095d70ac650e91a8ae73eb3782 [0,3,0,0,0,0|1,0,0]=4
15  B13R2.449  O=CNc1ccc2nncn2c1 e3027fc406d98b22d5a6a53fa20a1d32 [0,3,0,0,0,0|1,0,0]=4
16  B13R2.449  O=CNc1ccn2cnnc2c1 4fbdfc4bdfcbdfbc1872e696fb2a68aa [0,3,0,0,0,0|1,0,0]=4
17  B13R2.449  OCNc1cc2nccn2cn1 1f4a9f63154aaf9678d810f03ed10bb3 [0,3,0,0,0,0|1,0,0]=4
18  B13R2.449  OCNc1ccc2nncn2c1 eb3ed9c821f45293d7626f2269a5acd1 [0,3,0,0,0,0|1,0,0]=4
19  B13R2.449  OCNc1ccn2cnnc2c1 c132b6d8a4d87ce30b7e19b0c540d714 [0,3,0,0,0,0|1,0,0]=4
20  B13R2.292  CCNc1cccn2c1nnc2 258b2c18e5d026ecdd22898a7ddc2525 [0,3,0,0,0,0|1,0,0]=4
21  B13R2.292  CCNc1nccc2n1ccn2 f934cc72ccd195fe1f7cbc6458934195 [0,3,0,0,0,0|1,0,0]=4
22  B13R2.292  CCNc1nccc2n1cnn2 2d0626c9a9e544d38b578243000dee78 [0,3,0,0,0,0|0,0,0]=3
23  B13R2.292  CCNc1ncnc2n1cnn2 5c4250da5904a9af0640e02a02e0fa10 [0,3,0,0,0,0|1,0,0]=4
24  B13R2.292  CCOc1ncnc2n1cnn2 e64205b7d6a7210809ea807250879186 [0,3,0,0,0,0|1,0,0]=4
25  B13R2.292  FCNc1cccn2c1nnc2 f6404d00bf3f4e0065e1323f2cac8fc2 [0,3,0,0,0,0|1,0,0]=4
26  B13R2.292  FCNc1nccc2n1ccn2 2c0636d24e9f5a6c07fa1a9403b04262 [0,3,0,0,0,0|1,0,0]=4
27  B13R2.292  FCNc1nccc2n1cnn2 17724995ffc90f49e7ac8625977c341e [0,3,0,0,0,0|0,0,0]=3
28  B13R2.292  FCNc1ncnc2n1cnn2 92f42b2e6553417b3000e2e7d766c95e [0,3,0,0,0,0|1,0,0]=4
29  B13R2.292  FCOc1ncnc2n1cnn2 b38b1e931aab48c8333c03521fd21c37 [0,3,0,0,0,0|1,0,0]=4
30  B13R2.292  N#CNc1cccc2n1cnn2 41843a09fd6ed0923d3d9412680a0350 [0,3,0,0,0,0|1,0,0]=4
31  B13R2.292  O=CNc1cccn2c1nnc2 0cca3d3cb7510cf0111fde82f2a36c29 [0,3,0,0,0,0|1,0,0]=4
32  B13R2.292  OCNc1cccn2c1nnc2 b1dbc4cfabec2ea70c95bd1b36619a7c [0,3,0,0,0,0|1,0,0]=4
33  B13R2.292  OCNc1nccc2n1ccn2 51d14f337b82b70cd4805cb750e2c2cc [0,3,0,0,0,0|1,0,0]=4
34  B13R2.292  OCNc1nccc2n1cnn2 85737ff7f3cc9a99126da1db7490e7ec [0,3,0,0,0,0|0,0,0]=3
35  B13R2.292  OCNc1ncnc2n1cnn2 3af6b783c8e7be98051a44bbe866f392 [0,3,0,0,0,0|1,0,0]=4
36  B11R2.2  c1c[nH]c(n1)c2cn[nH]c2 6e4492a5ca4cc3e790e25e75dc6e5a30 [0,1,1,1,0,0|1,0,0]=4
37  B11R2.2  c1c[nH]c(n1)c2cnco2 1b7142ac7ffaac0f6e1ce51bbcd9d1f7 [0,1,1,1,0,0|1,0,0]=4
38  B11R2.2  c1c[nH]c(n1)c2cncs2 f914656d9993347564a673ae5f267db5 [0,1,1,1,0,0|1,0,0]=4
39  B11R2.2  c1c[nH]c(n1)c2cnoc2 8b4cc666bcd3ad9bdcdbdcbcbd71937c [0,1,1,1,0,0|1,0,0]=4
40  B11R2.2  c1c[nH]c(n1)c2cnsc2 fbe4a2e2995b0dd69da975febb1da7e0 [0,1,1,1,0,0|1,0,0]=4
41  B11R2.2  c1cn(cn1)c2ccns2 27411988bab3e141a480a07c0ad64cdf [0,1,1,1,0,0|1,0,0]=4
42  B11R2.2  c1cn(cn1)c2nnco2 939640d2c9133e12fcb1bff347af9fa0 [0,1,1,1,0,0|1,0,0]=4
43  B11R2.2  c1ncc(o1)c2nnco2 4fd0f1211b19141f2a09c0f54b20ef7d [0,1,1,1,0,0|1,0,0]=4
44  B11R2.2  c1ncc(o1)c2nncs2 6c158135471b261262940e86b798cb79 [0,1,1,1,0,0|1,0,0]=4
45  B11R2.2  c1ncc(s1)c2nncs2 c34edc1daabfcaf5d876cbd692da0daf [0,1,1,1,0,0|1,0,0]=4
46  B11R2.2  c1nnc(o1)c2cn[nH]c2 da44e99c54d89de84e0b0c098bba940f [0,1,1,1,0,0|1,0,0]=4
47  B11R2.2  c1nnc(o1)c2cncs2 d5ee9e9727d3c62a41f4cdd3ab5d2cc3 [0,1,1,1,0,0|1,0,0]=4
48  B11R2.2  c1nnc(o1)c2cnoc2 8b96e9687a135cd6a92af763f0c085b4 [0,1,1,1,0,0|1,0,0]=4
49  B11R2.2  c1nnc(o1)c2cnsc2 bc6399d6178b590e98f24ce3d2cf6266 [0,1,1,1,0,0|1,0,0]=4
50  B11R2.2  c1nnc(s1)c2cn[nH]c2 160e7b970559b945ad837f0f40da8d0d [0,1,1,1,0,0|1,0,0]=4
51  B11R2.2  c1nnc(s1)c2cnoc2 3d80f2200f9fd3e30f1dedee4e1085fb [0,1,1,1,0,0|1,0,0]=4
52  B11R2.2  c1nnc(s1)c2cnsc2 44bc29518333ae1d4c24ca0dec385a10 [0,1,1,1,0,0|1,0,0]=4