0 B11R2.15 C=Cc1cc2sccc2s1 271570a_100011290941_200010191111 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.27 C=CC(=O)Cc1ccn[nH]1 1458a_100000185746_100000728653 [0,0,1,0,0,0|3,0,0]=4 2 B10R1.29 Cn1nccc1OCC=O 34a_100020632926_200009817547 [0,0,1,0,0,0|1,0,2]=4 3 B10R1.29 Cn1nccc1SCC=O 62a_100000688441_200015260668 [0,0,1,0,0,0|1,0,2]=4 4 B10R1.29 Cn1nccc1SCC=O 62a_200015260668_100000688441 [0,0,1,0,0,0|1,0,2]=4 5 B10R1.35 C=Cc1sc(cc1C)C=O 271570a_100011290941_100000761930 [0,0,1,0,0,0|3,0,0]=4 6 B10R1.96 C=C=Cc1cc(c[nH]1)C=O 271570a_100015277604_100009882863 [0,0,1,0,0,0|2,0,1]=4 7 B10R1.96 CC=Cc1cc(c[nH]1)C=O 271570a_100016259895_100009882863 [0,0,1,0,0,0|2,0,0]=3 8 B10R1.96 CC=Cc1cc(cs1)C=O 271570a_100016259895_100000737087 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.96 CC=Cc1ccc(o1)C=O 271570a_100016259895_100000185145 [0,0,1,0,0,0|3,0,0]=4 10 B10R1.96 CC=Cc1ccc(s1)C=O 271570a_100016259895_100000179771 [0,0,1,0,0,0|3,0,0]=4 11 B10R1.96 CC=Cc1nc(cs1)C=O 271570a_100016259895_100009816748 [0,0,1,0,0,0|2,0,1]=4 12 B10R1.96 CC=Cc1ncc(s1)C=O 271570a_100016259895_100009814069 [0,0,1,0,0,0|2,0,1]=4 13 B12R2.32 C=Cc1cc2ccccc2[nH]1 271570a_100011290941_100010232065 [0,0,0,0,0,1|3,0,0]=4 14 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [0,0,0,0,0,1|3,0,0]=4 15 B12R2.32 C=Cc1cn2ccccc2n1 271570a_100011290941_100009819586 [0,0,0,0,0,1|2,0,1]=4 16 B12R2.32 C=Cc1cn2ncccc2n1 271570a_100011290941_200010296001 [0,0,0,0,0,1|1,0,1]=3 17 B12R2.32 CSc1cn2ncccc2n1 62a_200000210301_200010296001 [0,0,0,0,0,1|2,0,1]=4 18 B12R2.32 CSc1cn2ncccc2n1 62a_200010296001_200000210301 [0,0,0,0,0,1|2,0,1]=4 19 B12R2.32 [13CH3]Sc1cn2ncccc2n1 62a_200010296001_200025704644 [0,0,0,0,0,1|2,0,1]=4 20 B12R2.32 [13CH3]Sc1cn2ncccc2n1 62a_200025704644_200010296001 [0,0,0,0,0,1|2,0,1]=4 21 B12R2.44 C=Cc1cc2ncnn2cn1 271570a_100011290941_100000101099 [0,0,0,0,0,1|3,0,0]=4 22 B12R2.44 C=Cc1ccc2ccnn2c1 271570a_100011290941_100009820231 [0,0,0,0,0,1|2,0,0]=3 23 B12R2.44 C=Cc1ccc2ncnn2c1 271570a_100011290941_100009816971 [0,0,0,0,0,1|3,0,0]=4 24 B12R2.44 C=Cc1ccn2nccc2c1 271570a_100011290941_100000763084 [0,0,0,0,0,1|2,0,0]=3 25 B12R2.44 C=Cc1ccn2nccc2n1 271570a_100011290941_100000691470 [0,0,0,0,0,1|1,0,1]=3 26 B12R2.44 C=Cc1ccn2ncnc2c1 271570a_100011290941_100009819723 [0,0,0,0,0,1|3,0,0]=4 27 B12R2.44 C=Cc1ccn2ncnc2n1 271570a_100011290941_100000054300 [0,0,0,0,0,1|2,0,1]=4 28 B12R2.44 C=Cc1ccn2nncc2c1 271570a_100011290941_100009820036 [0,0,0,0,0,1|3,0,0]=4 29 B12R2.44 C=Cc1cn2ncnc2cn1 271570a_100011290941_100009847490 [0,0,0,0,0,1|2,0,1]=4 30 B12R2.44 C=Cc1cnc2ccnn2c1 271570a_100011290941_100011349234 [0,0,0,0,0,1|1,0,1]=3 31 B12R2.44 C=Cc1cnc2ncnn2c1 271570a_100011290941_100000737005 [0,0,0,0,0,1|2,0,1]=4 32 B12R2.44 CNc1ccn2nccc2n1 27a_100102657272_100000051569 [0,0,0,0,0,1|2,0,1]=4 33 B12R2.44 CSc1ccc2ccnn2c1 62a_200000210301_100009820231 [0,0,0,0,0,1|3,0,0]=4 34 B12R2.44 CSc1ccn2nccc2c1 62a_200000210301_100000763084 [0,0,0,0,0,1|3,0,0]=4 35 B12R2.44 CSc1ccn2nccc2n1 62a_100000691470_200000210301 [0,0,0,0,0,1|2,0,1]=4 36 B12R2.44 CSc1ccn2nccc2n1 62a_200000210301_100000051569 [0,0,0,0,0,1|2,0,1]=4 37 B12R2.44 CSc1cnc2ccnn2c1 62a_100011349234_200000210301 [0,0,0,0,0,1|2,0,1]=4 38 B12R2.44 CSc1cnc2ccnn2c1 62a_200000210301_100011349234 [0,0,0,0,0,1|2,0,1]=4 39 B12R2.44 [13CH3]Sc1ccc2ccnn2c1 62a_200025704644_100009820231 [0,0,0,0,0,1|3,0,0]=4 40 B12R2.44 [13CH3]Sc1ccn2nccc2c1 62a_200025704644_100000763084 [0,0,0,0,0,1|3,0,0]=4 41 B12R2.44 [13CH3]Sc1ccn2nccc2n1 62a_100000691470_200025704644 [0,0,0,0,0,1|2,0,1]=4 42 B12R2.44 [13CH3]Sc1ccn2nccc2n1 62a_200025704644_100000051569 [0,0,0,0,0,1|2,0,1]=4 43 B12R2.44 [13CH3]Sc1cnc2ccnn2c1 62a_100011349234_200025704644 [0,0,0,0,0,1|2,0,1]=4 44 B12R2.44 [13CH3]Sc1cnc2ccnn2c1 62a_200025704644_100011349234 [0,0,0,0,0,1|2,0,1]=4 45 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [1,0,1,0,0,0|1,0,1]=4 46 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [1,0,1,0,0,0|1,0,1]=4 47 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [1,0,1,0,0,0|1,0,1]=4 48 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [1,0,1,0,0,0|1,0,1]=4 49 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [1,0,1,0,0,0|1,0,1]=4 50 B9R1.33 CC=Cc1ccnn1C 271570a_100016259895_100000688441 [1,0,1,0,0,0|1,0,1]=4 51 B9R1.21 C=Cc1cc(c[nH]1)C=O 271570a_100011290941_100009882863 [1,0,1,0,0,0|1,0,0]=3 52 B9R1.21 C=Cc1cc(cs1)C=O 271570a_100011290941_100000737087 [1,0,1,0,0,0|2,0,0]=4 53 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.21 C=Cc1ccc(s1)C=O 271570a_100011290941_100000179771 [1,0,1,0,0,0|2,0,0]=4 55 B9R1.21 C=Cc1coc(c1)C=O 271570a_100011290941_100000747035 [1,0,1,0,0,0|2,0,0]=4 56 B9R1.21 C=Cc1csc(c1)C=O 271570a_100011290941_100000211722 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.21 C=Cc1nc(cs1)C=O 271570a_100011290941_100009816748 [1,0,1,0,0,0|1,0,1]=4 58 B9R1.21 C=Cc1ncc(s1)C=O 271570a_100011290941_100009814069 [1,0,1,0,0,0|1,0,1]=4 59 B11R1.90 CC(=O)C=Cc1ccnn1C 1458a_100102528386_200000210301 [0,1,1,0,0,0|1,0,1]=4 60 B11R1.90 Cn1nccc1C=CC(=O)[13CH3] 1458a_100102528386_200025704644 [0,1,1,0,0,0|1,0,1]=4 61 B11R1.180 Cn1nccc1CNCC=O 34a_100025706696_200009817547 [0,1,1,0,0,0|0,0,2]=4 62 B11R1.43 CC(=Cc1cc(c[nH]1)C=O)C 271570a_100102525489_100009882863 [0,1,1,0,0,0|2,0,0]=4 63 B11R1.124 CC=Cc1ccc([nH]1)C(=O)C 271570a_100016259895_200010494458 [0,1,1,0,0,0|2,0,0]=4 64 B11R1.214 C=CCSc1c[nH]c(c1)C=O 62a_100000210623_100000720742 [0,1,1,0,0,0|2,0,0]=4 65 B11R1.214 C=CCSc1c[nH]c(c1)C=O 62a_100000720742_100000210623 [0,1,1,0,0,0|2,0,0]=4 66 B13R2.26 C=C=Cc1cn2ncccc2n1 271570a_100015277604_200010296001 [0,1,0,0,0,1|1,0,1]=4 67 B13R2.26 CC=Cc1cn2ncccc2n1 271570a_100016259895_200010296001 [0,1,0,0,0,1|1,0,1]=4 68 B13R2.43 O=Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009820874 [0,1,0,0,0,1|2,0,0]=4 69 B13R2.43 O=Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000736022 [0,1,0,0,0,1|2,0,0]=4 70 B13R2.43 O=Cc1cn2cc(ccc2n1)O 271570a_203496583355_100012351728 [0,1,0,0,0,1|1,0,1]=4 71 B13R2.43 O=Cc1cn2ccc(cc2n1)O 271570a_203496583355_100000731868 [0,1,0,0,0,1|1,0,1]=4 72 B13R2.45 O=Cc1nc2ncccn2c1O 271570a_203496583355_200009817305 [0,1,0,0,0,1|1,0,1]=4 73 B13R2.54 C=Cc1cc2c(ncnn2c1)N 271570a_100011290941_100010156419 [0,1,0,0,0,1|2,0,0]=4 74 B13R2.54 C=Cc1cc2c(ncnn2c1)O 271570a_100011290941_100010073071 [0,1,0,0,0,1|2,0,0]=4 75 B13R2.54 O=Cc1cc2nccc(c2s1)O 271570a_203496583355_100009883415 [0,1,0,0,0,1|2,0,0]=4 76 B13R2.54 O=Cc1cc2ncnc(c2s1)O 271570a_203496583355_100009883414 [0,1,0,0,0,1|2,0,0]=4 77 B13R2.54 O=Cc1cn2c(cccc2n1)O 271570a_203496583355_100010238484 [0,1,0,0,0,1|1,0,1]=4 78 B13R2.54 O=Cc1cn2cccc(c2n1)O 271570a_203496583355_100012360382 [0,1,0,0,0,1|1,0,1]=4 79 B13R2.435 C=C(C)c1cn2ncccc2n1 271570a_100000694244_200010296001 [0,1,0,0,0,1|1,0,1]=4 80 B13R2.84 C=Cc1ccc2ccnn2c1C 271570a_100011290941_100010767214 [0,1,0,0,0,1|2,0,0]=4 81 B13R2.430 C=C(C)c1ccc2ccnn2c1 271570a_100000694244_100009820231 [0,1,0,0,0,1|2,0,0]=4 82 B13R2.430 C=C(C)c1ccn2nccc2c1 271570a_100000694244_100000763084 [0,1,0,0,0,1|2,0,0]=4 83 B13R2.430 C=C(C)c1ccn2nccc2n1 271570a_100000694244_100000691470 [0,1,0,0,0,1|1,0,1]=4 84 B13R2.430 C=C(C)c1cnc2ccnn2c1 271570a_100000694244_100011349234 [0,1,0,0,0,1|1,0,1]=4 85 B13R2.449 C=C=Cc1ccc2ccnn2c1 271570a_100015277604_100009820231 [0,1,0,0,0,1|2,0,0]=4 86 B13R2.449 C=C=Cc1ccn2nccc2c1 271570a_100015277604_100000763084 [0,1,0,0,0,1|2,0,0]=4 87 B13R2.449 C=C=Cc1ccn2nccc2n1 271570a_100015277604_100000691470 [0,1,0,0,0,1|1,0,1]=4 88 B13R2.449 C=C=Cc1cnc2ccnn2c1 271570a_100015277604_100011349234 [0,1,0,0,0,1|1,0,1]=4 89 B13R2.449 CC=Cc1ccc2ccnn2c1 271570a_100016259895_100009820231 [0,1,0,0,0,1|2,0,0]=4 90 B13R2.449 CC=Cc1ccn2nccc2c1 271570a_100016259895_100000763084 [0,1,0,0,0,1|2,0,0]=4 91 B13R2.449 CC=Cc1ccn2nccc2n1 271570a_100016259895_100000691470 [0,1,0,0,0,1|1,0,1]=4 92 B13R2.449 CC=Cc1cnc2ccnn2c1 271570a_100016259895_100011349234 [0,1,0,0,0,1|1,0,1]=4 93 B13R2.654 C=Cc1cc(=O)n2nccc2[nH]1 271570a_100011290941_100010532499 [0,1,0,0,0,1|1,0,0]=3 94 B13R2.669 C=Cc1ccn2ncc(c2n1)N 271570a_100011290941_100009855275 [0,1,0,0,0,1|1,0,1]=4 95 B13R2.2121 C=Cc1ccn2nc(cc2n1)C 271570a_100011290941_100009892504 [0,1,0,0,0,1|1,0,1]=4 96 B13R2.2121 C=Cc1cnc2cc(nn2c1)C 271570a_100011290941_100000736869 [0,1,0,0,0,1|1,0,1]=4 97 B13R2.2130 C=Cc1cnc2c(cnn2c1)C 271570a_100011290941_100012771933 [0,1,0,0,0,1|1,0,1]=4 98 B11R2.36 Oc1ccc2ccnn2c1 271570a_203496583355_100009820231 [0,0,1,1,0,0|2,0,0]=4 99 B11R2.36 Oc1cnc2ccnn2c1 271570a_203496583355_100011349234 [0,0,1,1,0,0|2,0,0]=4 100 B11R2.10 Oc1cn2ncccc2n1 271570a_203496583355_200010296001 [1,0,0,0,0,1|0,0,2]=4