0 B23R2.352051 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CN2CC=CC2 269982a_100015195280_100000034481 [0,0,0,0,0,0|2,0,1]=3 1 B23R2.352051 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CN2CCCC2 2230a_100000188435_100000034481 [0,0,0,0,0,0|2,0,2]=4 2 B23R2.352051 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CN2CCCC2 269982a_100000188435_100000034481 [0,0,0,0,0,0|2,0,2]=4 3 B23R2.352051 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CN2CCSC2 2230a_100011215254_100000034481 [0,0,0,0,0,0|2,0,2]=4 4 B23R2.352051 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CN2CCSC2 269982a_100011215254_100000034481 [0,0,0,0,0,0|2,0,2]=4 5 B24R2.431224 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CN2CNC(=O)C2 2230a_200000708111_100000034481 [0,1,0,0,0,0|1,0,2]=4 6 B24R2.431224 Cc1cn(nn1)Cc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 274090a_100000034481_200000242740 [0,1,0,0,0,0|2,0,0]=3 7 B22R1.871273 C=CCCNCc1cc(cc(c1)C(C)(C)C#N)C(C)(C)C#N 2230a_100015191253_100000034481 [0,0,1,0,0,0|2,0,1]=4 8 B22R1.1745669 C=CCN(C)Cc1cc(cc(c1)C(C)(C)C#N)C(C)(C)C#N 2230a_100000225617_100000034481 [0,0,1,0,0,0|2,0,1]=4 9 B22R1.1745669 C=CCN(C)Cc1cc(cc(c1)C(C)(C)C#N)C(C)(C)C#N 269982a_100000225617_100000034481 [0,0,1,0,0,0|2,0,1]=4 10 B22R2.30569320 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CN2CCC2 269982a_100000754969_100000034481 [0,0,0,0,1,0|1,0,2]=4 11 B24R2.431419 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CN2CC=CCC2 2230a_100000698166_100000034481 [0,0,0,0,0,1|2,0,1]=4 12 B24R2.431419 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CN2CC=CCC2 269982a_100000698166_100000034481 [0,0,0,0,0,1|2,0,1]=4 13 B24R2.431419 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CN2CC=CCC2 34a_100000698166_100000034481 [0,0,0,0,0,1|2,0,1]=4 14 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)COc2ccsc2 34a_100000106738_100000034481 [0,0,0,0,0,1|3,0,0]=4 15 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)COc2ccsc2 7a_100000106738_100000034481 [0,0,0,0,0,1|3,0,0]=4 16 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2c[nH]cn2 62a_100000034481_100000756875 [0,0,0,0,0,1|1,0,1]=3 17 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2c[nH]cn2 62a_100000756875_100000034481 [0,0,0,0,0,1|1,0,1]=3 18 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2c[nH]nn2 62a_100000034481_100009819707 [0,0,0,0,0,1|2,0,1]=4 19 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2c[nH]nn2 62a_100009819707_100000034481 [0,0,0,0,0,1|2,0,1]=4 20 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cc[nH]n2 62a_100000034481_100000062575 [0,0,0,0,0,1|3,0,0]=4 21 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cc[nH]n2 62a_100000062575_100000034481 [0,0,0,0,0,1|3,0,0]=4 22 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ccon2 62a_100000034481_100009818083 [0,0,0,0,0,1|3,0,0]=4 23 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ccon2 62a_100009818083_100000034481 [0,0,0,0,0,1|3,0,0]=4 24 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cn[nH]c2 62a_100000034481_100000238712 [0,0,0,0,0,1|3,0,0]=4 25 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cn[nH]c2 62a_100000238712_100000034481 [0,0,0,0,0,1|3,0,0]=4 26 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cnco2 62a_100000034481_100020591547 [0,0,0,0,0,1|2,0,0]=3 27 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cnco2 62a_100020591547_100000034481 [0,0,0,0,0,1|2,0,0]=3 28 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cnoc2 62a_100000034481_100009815712 [0,0,0,0,0,1|3,0,0]=4 29 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cnoc2 62a_100009815712_100000034481 [0,0,0,0,0,1|3,0,0]=4 30 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2nc[nH]n2 62a_100000034481_100000761765 [0,0,0,0,0,1|2,0,1]=4 31 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2nc[nH]n2 62a_100000761765_100000034481 [0,0,0,0,0,1|2,0,1]=4 32 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ncc[nH]2 62a_100000034481_100025796157 [0,0,0,0,0,1|3,0,0]=4 33 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ncc[nH]2 62a_100025796157_100000034481 [0,0,0,0,0,1|3,0,0]=4 34 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ncco2 62a_100000034481_100011787736 [0,0,0,0,0,1|3,0,0]=4 35 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ncco2 62a_100011787736_100000034481 [0,0,0,0,0,1|3,0,0]=4 36 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ncns2 62a_100000034481_100000693119 [0,0,0,0,0,1|2,0,0]=3 37 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ncns2 62a_100000693119_100000034481 [0,0,0,0,0,1|2,0,0]=3 38 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2nncs2 62a_100000034481_100000739804 [0,0,0,0,0,1|3,0,0]=4 39 B24R2.10199757 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2nncs2 62a_100000739804_100000034481 [0,0,0,0,0,1|3,0,0]=4 40 B21R1.165595 C=CCNCc1cc(cc(c1)C(C)(C)C#N)C(C)(C)C#N 2230a_100020586998_100000034481 [1,0,1,0,0,0|1,0,0]=3 41 B21R1.165595 C=CCOCc1cc(cc(c1)C(C)(C)C#N)C(C)(C)C#N 34a_200000210373_100000034481 [1,0,1,0,0,0|2,0,0]=4 42 B21R1.165595 C=CCSCc1cc(cc(c1)C(C)(C)C#N)C(C)(C)C#N 62a_100000034481_100000210623 [1,0,1,0,0,0|2,0,0]=4 43 B21R1.165595 C=CCSCc1cc(cc(c1)C(C)(C)C#N)C(C)(C)C#N 62a_100000210623_100000034481 [1,0,1,0,0,0|2,0,0]=4 44 B21R1.3467015 C=CC(=O)Cc1cc(cc(c1)C(C)(C)C#N)C(C)(C)C#N 1458a_100000185746_100000034481 [1,0,1,0,0,0|2,0,0]=4 45 B25R2.13531746 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2[nH]cnc2Cl 62a_100000034481_100010200774 [0,1,0,0,0,1|1,0,1]=4 46 B25R2.13531746 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2[nH]cnc2Cl 62a_100010200774_100000034481 [0,1,0,0,0,1|1,0,1]=4 47 B25R2.13531746 Cc1[nH]cnc1SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100000034481_100010186451 [0,1,0,0,0,1|1,0,1]=4 48 B25R2.13531746 Cc1[nH]cnc1SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100010186451_100000034481 [0,1,0,0,0,1|1,0,1]=4 49 B25R2.13531746 Cn1cncc1SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100000034481_100009814087 [0,1,0,0,0,1|1,0,1]=4 50 B25R2.13531746 Cn1cncc1SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100009814087_100000034481 [0,1,0,0,0,1|1,0,1]=4 51 B25R2.13531746 Cn1ncnc1SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100000034481_100000732653 [0,1,0,0,0,1|2,0,0]=4 52 B25R2.13531746 Cn1ncnc1SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100000732653_100000034481 [0,1,0,0,0,1|2,0,0]=4 53 B25R2.13531771 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cnc(s2)N 62a_100000034481_100000718969 [0,1,0,0,0,1|2,0,0]=4 54 B25R2.13531771 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cnc(s2)N 62a_100000718969_100000034481 [0,1,0,0,0,1|2,0,0]=4 55 B25R2.13531771 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2csc(n2)N 62a_100000034481_100011998049 [0,1,0,0,0,1|2,0,0]=4 56 B25R2.13531771 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2csc(n2)N 62a_100011998049_100000034481 [0,1,0,0,0,1|2,0,0]=4 57 B25R2.13531771 Cc1nc(c[nH]1)SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100000034481_100009814057 [0,1,0,0,0,1|1,0,1]=4 58 B25R2.13531771 Cc1nc(c[nH]1)SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100009814057_100000034481 [0,1,0,0,0,1|1,0,1]=4 59 B25R2.13531771 Cc1nsc(n1)SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100000034481_100000709739 [0,1,0,0,0,1|2,0,0]=4 60 B25R2.13531771 Cc1nsc(n1)SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100000709739_100000034481 [0,1,0,0,0,1|2,0,0]=4 61 B25R2.13531771 Cn1cnc(c1)SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100000034481_100000040308 [0,1,0,0,0,1|1,0,1]=4 62 B25R2.13531771 Cn1cnc(c1)SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100000040308_100000034481 [0,1,0,0,0,1|1,0,1]=4 63 B25R2.13531771 Cn1ncc(n1)SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100000034481_100000733932 [0,1,0,0,0,1|2,0,0]=4 64 B25R2.13531771 Cn1ncc(n1)SCc2cc(cc(c2)C(C)(C)C#N)C(C)(C)C#N 62a_100000733932_100000034481 [0,1,0,0,0,1|2,0,0]=4 65 B25R2.336620245 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)Cn2cc(nn2)CBr 274090a_100000034481_100000184674 [0,2,0,0,0,0|2,0,0]=4 66 B25R2.336620245 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)Cn2cc(nn2)CCl 274090a_100000034481_100000038162 [0,2,0,0,0,0|2,0,0]=4 67 B25R2.336620245 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)Cn2cc(nn2)CN 274090a_100000034481_100000212058 [0,2,0,0,0,0|2,0,0]=4 68 B25R2.336620245 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)Cn2cc(nn2)CO 274090a_100000034481_100000210247 [0,2,0,0,0,0|2,0,0]=4 69 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)COc2cccnc2 34a_100000210849_100000034481 [0,0,0,0,0,2|2,0,0]=4 70 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)COc2cccnc2 7a_100000210849_100000034481 [0,0,0,0,0,2|2,0,0]=4 71 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)COc2ccncc2 34a_100000212176_100000034481 [0,0,0,0,0,2|2,0,0]=4 72 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)COc2ccnnc2 34a_100015204005_100000034481 [0,0,0,0,0,2|2,0,0]=4 73 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)COc2cncnc2 7a_100000754086_100000034481 [0,0,0,0,0,2|1,0,0]=3 74 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ccccn2 62a_100000034481_100011216584 [0,0,0,0,0,2|2,0,0]=4 75 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ccccn2 62a_100011216584_100000034481 [0,0,0,0,0,2|2,0,0]=4 76 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cccnc2 62a_100000034481_100000210063 [0,0,0,0,0,2|2,0,0]=4 77 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cccnc2 62a_100000210063_100000034481 [0,0,0,0,0,2|2,0,0]=4 78 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cccnn2 62a_100000034481_100016991348 [0,0,0,0,0,2|2,0,0]=4 79 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cccnn2 62a_100016991348_100000034481 [0,0,0,0,0,2|2,0,0]=4 80 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ccncc2 62a_100000034481_100000728582 [0,0,0,0,0,2|2,0,0]=4 81 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ccncc2 62a_100000728582_100000034481 [0,0,0,0,0,2|2,0,0]=4 82 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ccncn2 62a_100000034481_100000703185 [0,0,0,0,0,2|1,0,0]=3 83 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ccncn2 62a_100000703185_100000034481 [0,0,0,0,0,2|1,0,0]=3 84 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ccnnc2 62a_100000034481_100000732662 [0,0,0,0,0,2|2,0,0]=4 85 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ccnnc2 62a_100000732662_100000034481 [0,0,0,0,0,2|2,0,0]=4 86 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cnccn2 62a_100000034481_100000211759 [0,0,0,0,0,2|1,0,0]=3 87 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cnccn2 62a_100000211759_100000034481 [0,0,0,0,0,2|1,0,0]=3 88 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cncnc2 62a_100000034481_100011206942 [0,0,0,0,0,2|1,0,0]=3 89 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cncnc2 62a_100011206942_100000034481 [0,0,0,0,0,2|1,0,0]=3 90 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cnnnc2 62a_100000034481_100009846058 [0,0,0,0,0,2|2,0,0]=4 91 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2cnnnc2 62a_100009846058_100000034481 [0,0,0,0,0,2|2,0,0]=4 92 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ncccn2 62a_100000034481_100000211032 [0,0,0,0,0,2|2,0,0]=4 93 B25R2.508386 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSc2ncccn2 62a_100000211032_100000034481 [0,0,0,0,0,2|2,0,0]=4 94 B25R2.13531770 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CNCc2cncs2 2230a_100016987365_100000034481 [0,0,0,0,0,2|2,0,0]=4 95 B25R2.13531770 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CNCc2cscn2 2230a_100015185402_100000034481 [0,0,0,0,0,2|2,0,0]=4 96 B25R2.13531770 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)COCn2cccn2 34a_100000731028_100000034481 [0,0,0,0,0,2|1,0,0]=3 97 B25R2.13531770 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSCc2c[nH]cn2 62a_100000034481_100000707719 [0,0,0,0,0,2|1,0,1]=4 98 B25R2.13531770 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSCc2c[nH]cn2 62a_100000707719_100000034481 [0,0,0,0,0,2|1,0,1]=4 99 B25R2.13531770 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSCn2cncn2 62a_100000034481_200020645497 [0,0,0,0,0,2|0,0,0]=2 100 B25R2.13531770 CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)CSCn2cncn2 62a_200020645497_100000034481 [0,0,0,0,0,2|0,0,0]=2