0 B10R1.54 C=C(C)Cn1cc(nn1)C 274090a_100000748629_200000242740 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.54 CC(=Cc1cc([nH]n1)C)C 271570a_100102525489_100015199547 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.54 CC(=Cc1cc([nH]n1)N)C 271570a_100102525489_100009822546 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.54 CC(=Cc1cc(cs1)C)C 271570a_100102525489_100009876951 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.54 CC(=Cc1cc(ns1)C)C 271570a_100102525489_100009815735 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.54 CC(=Cc1cn(cn1)C)C 271570a_100102525489_100000040308 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.54 CC(=Cc1cn(nn1)C)C 271570a_100102525489_100000760339 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.54 CC(=Cc1csc(c1)C)C 271570a_100102525489_100000759034 [0,0,0,0,0,0|3,1,0]=4 8 B10R1.54 CC(=Cc1n[nH]c(n1)C)C 271570a_100102525489_100000732540 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.54 CC(=Cc1ncc(s1)C)C 271570a_100102525489_100000690809 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.54 CC(=Cc1nnc(o1)C)C 271570a_100102525489_100000708914 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.54 CC(=Cc1nnc(s1)C)C 271570a_100102525489_100000686958 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.54 CC(=Cc1noc(n1)C)C 271570a_100102525489_100012003639 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.54 CC(=O)Cc1cc(no1)Br 1458a_100000070787_100000709089 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000037866_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000070787_100000707947 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.54 CC(=O)Cc1cnc(s1)C 1458a_100000070787_100020635045 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.54 CC(=O)Cc1cnn(c1)C 1458a_100000070787_100000744441 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,0,0,0,0,0|3,1,0]=4 24 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,0,0,0,0,0|3,1,0]=4 25 B10R1.54 CC(=O)Cc1n[nH]c(=O)[nH]1 1458a_100000070787_100000754189 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.54 CC(=O)Cc1n[nH]c(n1)C 1458a_100011457670_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100000070787_100000735555 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100011441805_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.54 CC(=O)Cc1ncn(n1)C 1458a_100000070787_100016995526 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.54 CC(=O)Cc1nnc(o1)C 1458a_100000070787_100000181450 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.54 CC(=O)Cc1nnc(s1)C 1458a_100000070787_100000688753 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.54 CC(=O)Cc1noc(n1)C 1458a_100000070787_100000231061 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.54 CC(=O)Cc1noc(n1)C 1458a_100000105485_200000210301 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.54 CC(=O)Cc1noc(n1)C 270196a_100011229364_100000070787 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.54 CC(=O)Cc1noc(n1)O 270196a_100011229364_100015183105 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.54 CC(=O)Cc1nsc(n1)Cl 1458a_100000070787_100000043760 [0,0,0,0,0,0|3,1,0]=4 37 B10R1.54 CC(=O)Cn1cc(cn1)Br 1458a_100000238729_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.54 CC(=O)Cn1cc(cn1)C 1458a_100000743463_200000210301 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.54 CC(=O)Cn1cc(cn1)Cl 1458a_100000759256_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.54 CC(=O)Cn1cc(cn1)I 1458a_100012072407_200000210301 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.54 CC(=O)Cn1cc(cn1)O 271570a_203496583355_100000763327 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.54 CC(=O)Nc1ncc(s1)O 271570a_203496583355_100000050200 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.54 CC(=O)Nc1nnc(s1)O 271570a_203496583355_200010004617 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.54 Cc1cc(n[nH]1)SC(C)C 62a_100000210206_100009819999 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.54 Cc1cc(n[nH]1)SC(C)C 62a_100009819999_100000210206 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.54 Cc1cc(no1)CN(C)C 2230a_100000225746_200000210301 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.54 Cc1cc(no1)CN(C)C 2230a_100102631434_100000199038 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.54 Cc1cc(no1)CN(C)C 269982a_100000225746_200000210301 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.54 Cc1cc(no1)CN(C)C 269982a_100102631434_100000199038 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.54 Cc1cc(no1)CN(C)C 270004a_100102631434_100011217994 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.54 Cc1cc(no1)CN(C)[13CH3] 2230a_100000225746_200025704644 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.54 Cc1cc(no1)CN(C)[13CH3] 269982a_100000225746_200025704644 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.54 Cc1cc(no1)SC(C)C 62a_100000210206_100000716708 [0,0,0,0,0,0|2,0,1]=3 55 B10R1.54 Cc1cc(no1)SC(C)C 62a_100000716708_100000210206 [0,0,0,0,0,0|2,0,1]=3 56 B10R1.54 Cc1cc(ns1)CN(C)C 270004a_100102631434_200000100279 [0,0,0,0,0,0|3,1,0]=4 57 B10R1.54 Cc1cc(on1)CC(=O)[13CH3] 1458a_100000037866_200025704644 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.54 Cc1cn(nn1)CC(=O)N 274090a_100000187820_200000242740 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.54 Cc1cn(nn1)CC(=O)[O-] 274090a_100020667443_200000242740 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.54 Cc1cnn(c1)CC(=O)[13CH3] 1458a_100000743463_200025704644 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,0,0,0,0,0|3,1,0]=4 62 B10R1.54 Cc1nc(n[nH]1)CC(=O)[13CH3] 1458a_100011457670_200025704644 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.54 Cc1nc(no1)CC(=O)N 270196a_100000183472_100000070787 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.54 Cc1nc(no1)CC(=O)[13CH3] 1458a_100000105485_200025704644 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.54 Cc1nc(no1)CC(=S)N 270196a_100000185207_100000070787 [0,0,0,0,0,0|3,1,0]=4 66 B10R1.54 Cc1nc(no1)CC(C)C 270196a_100000210173_100000070787 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.54 Cc1nc(no1)CC(C)O 270196a_100000755598_100000070787 [0,0,0,0,0,0|2,0,2]=4 68 B10R1.54 Cc1nc(no1)CN(C)C 2230a_100000697600_200000210301 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.54 Cc1nc(no1)CN(C)C 2230a_100102631434_100000231061 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.54 Cc1nc(no1)CN(C)C 269982a_100102631434_100000231061 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.54 Cc1nc(no1)CN(C)[13CH3] 2230a_100000697600_200025704644 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.54 Cc1nc(no1)NC(C)C 27a_100138425928_100012003639 [0,0,0,0,0,0|2,0,1]=3 73 B10R1.54 Cc1nc(no1)SC(C)C 62a_100000210206_100012003639 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.54 Cc1nc(no1)SC(C)C 62a_100012003639_100000210206 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.54 Cc1nnc(o1)NC(C)C 27a_100138425928_100000708914 [0,0,0,0,0,0|3,0,1]=4 76 B10R1.54 Cc1nnc(s1)NC(C)C 27a_100138425928_100000686958 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.54 Cc1noc(n1)CC(=O)[13CH3] 1458a_100011441805_200025704644 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.54 NC(=O)Cc1noc(n1)O 270196a_100000183472_100015183105 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Br 1458a_100000238729_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Cl 1458a_100000759256_200025704644 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)I 1458a_100012072407_200025704644 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.7 C=CCc1noc(n1)C 270196a_100000746013_100000070787 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.7 CC=Cc1cc([nH]n1)C 271570a_100016259895_100015199547 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.7 CC=Cc1cc([nH]n1)N 271570a_100016259895_100009822546 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.7 CC=Cc1cc(cs1)C 271570a_100016259895_100009876951 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.7 CC=Cc1cc(ns1)C 271570a_100016259895_100009815735 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.7 CC=Cc1cn(cn1)C 271570a_100016259895_100000040308 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.7 CC=Cc1cn(nn1)C 271570a_100016259895_100000760339 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.7 CC=Cc1csc(c1)C 271570a_100016259895_100000759034 [1,0,0,0,0,0|2,1,0]=4 92 B9R1.7 CC=Cc1n[nH]c(n1)C 271570a_100016259895_100000732540 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.7 CC=Cc1ncc(s1)C 271570a_100016259895_100000690809 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.7 CC=Cc1nnc(o1)C 271570a_100016259895_100000708914 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.7 CC=Cc1nnc(s1)C 271570a_100016259895_100000686958 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.7 CC=Cc1noc(n1)C 270196a_200000210507_100000070787 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.7 CC=Cc1noc(n1)C 271570a_100016259895_100012003639 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.7 CC=Cc1noc(n1)O 270196a_200000210507_100015183105 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.7 CCCc1noc(n1)C 270196a_100011193412_100000070787 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.7 CCNc1nnc(o1)C 27a_100015525214_100000708914 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.7 CCNc1nnc(s1)C 27a_100015525214_100000686958 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.7 CCNc1noc(n1)C 27a_100015525214_100012003639 [1,0,0,0,0,0|1,0,1]=3 103 B9R1.7 CCSc1cc([nH]n1)C 62a_100000210202_100009819999 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.7 CCSc1cc([nH]n1)C 62a_100009819999_100000210202 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.7 CCSc1cc(on1)C 62a_100000210202_100000716708 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.7 CCSc1cc(on1)C 62a_100000716708_100000210202 [1,0,0,0,0,0|1,0,1]=3 107 B9R1.7 CCSc1noc(n1)C 62a_100000210202_100012003639 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.7 CCSc1noc(n1)C 62a_100012003639_100000210202 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.7 CNCc1cc(on1)C 207a_100102657272_100011217994 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.7 CNCc1cc(on1)C 2230a_100000745230_200000210301 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.7 CNCc1cc(on1)C 2230a_106832991635_100000199038 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.7 CNCc1cc(on1)C 270004a_106832991635_100011217994 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.7 CNCc1cc(on1)C 34a_100000745230_200000210301 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.7 CNCc1cc(on1)C 34a_100102657272_100000199038 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.7 CNCc1cc(on1)C 7a_106832991635_100000199038 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.7 CNCc1cc(sn1)C 207a_100102657272_200000100279 [1,0,0,0,0,0|2,1,0]=4 117 B9R1.7 CNCc1cc(sn1)C 270004a_106832991635_200000100279 [1,0,0,0,0,0|2,1,0]=4 118 B9R1.7 CNCc1noc(n1)C 2230a_106832991635_100000231061 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.7 CNCc1noc(n1)C 34a_100102657272_100000231061 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.7 CNCc1noc(n1)C 7a_106832991635_100000231061 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.7 COCc1cc(on1)C 34a_100011216401_200000210301 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.7 COCc1cc(on1)C 34a_100138415774_100000199038 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.7 COCc1noc(n1)C 270196a_100000195696_100000070787 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.7 COCc1noc(n1)C 34a_100138415774_100000231061 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.7 CSCc1cc(on1)C 62a_100000199038_200000210301 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.7 CSCc1cc(on1)C 62a_200000210301_100000199038 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.7 CSCc1noc(n1)C 270196a_100000749773_100000070787 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.7 CSCc1noc(n1)C 62a_100000231061_200000210301 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.7 CSCc1noc(n1)C 62a_200000210301_100000231061 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.7 Cc1cc(no1)CN[13CH3] 2230a_100000745230_200025704644 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.7 Cc1cc(no1)CN[13CH3] 34a_100000745230_200025704644 [1,0,0,0,0,0|2,0,0]=3 132 B9R1.7 Cc1cc(no1)CO[13CH3] 34a_100011216401_200025704644 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_100000199038_200025704644 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.7 Cc1cc(no1)CS[13CH3] 62a_200025704644_100000199038 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.7 Cc1cc(no1)SCF 62a_100000716708_100015361967 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.7 Cc1cc(no1)SCF 62a_100015361967_100000716708 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.7 Cc1cn(nn1)CC=O 274090a_200015260668_200000242740 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_100000231061_200025704644 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.7 Cc1nc(no1)CS[13CH3] 62a_200025704644_100000231061 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.13 CC(=Cc1cc[nH]n1)C 271570a_100102525489_100000062575 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.13 CC(=Cc1ccoc1)C 271570a_100102525489_100011215275 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.13 CC(=Cc1ccsn1)C 271570a_100102525489_100009818082 [1,0,0,0,0,0|2,1,0]=4 143 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,0,0,0,0,0|2,0,1]=4 146 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [1,0,0,0,0,0|2,0,1]=4 149 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [1,0,0,0,0,0|2,1,0]=4 153 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [1,0,0,0,0,0|2,1,0]=4 154 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.13 CC(=O)Cn1ccnn1 1458a_100000080816_200000210301 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.13 CC(=O)NC1C=CN=N1 11a_100134613517_100015343762 [1,0,0,0,0,0|1,0,1]=3 161 B9R1.13 CC(=O)NC1C=CN=N1 240690a_100134613517_100015343762 [1,0,0,0,0,0|1,0,1]=3 162 B9R1.13 CC(C)Sc1ccon1 62a_100000210206_100009818083 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.13 CC(C)Sc1ccon1 62a_100009818083_100000210206 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.13 CN(C)Cc1ccon1 2230a_100000757864_200000210301 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.13 CN(C)Cc1ccon1 2230a_100102631434_100000234950 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.13 CN(C)Cc1ccon1 269982a_100000757864_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.13 CN(C)Cc1ccon1 269982a_100102631434_100000234950 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.13 CN([13CH3])Cc1ccon1 2230a_100000757864_200025704644 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.13 CN([13CH3])Cc1ccon1 269982a_100000757864_200025704644 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [1,0,0,0,0,0|2,1,0]=4 177 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.13 [13CH3]C(=O)Cn1ccnn1 1458a_100000080816_200025704644 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.39 C#CC(=O)Cc1cc(on1)C 1458a_100000211873_100000199038 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.39 C#CC(=O)Cc1noc(n1)C 1458a_100000211873_100000231061 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.39 C#CC(C)Nc1noc(n1)C 27a_100000707721_100012003639 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.39 C#CC(C)Sc1cc(on1)C 62a_200000035995_100000716708 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.39 C=CC(=O)Cc1cc(on1)C 1458a_100000185746_100000199038 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.39 C=CC(=O)Cc1noc(n1)C 1458a_100000185746_100000231061 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.39 C=CC(C)Sc1cc(on1)C 62a_100011215867_100000716708 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000037866_100000210202 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.39 CCC(=O)Cc1cc(no1)C 1458a_100000210414_100000707947 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.39 CCC(=O)Cc1cc(on1)C 1458a_100000210414_100000199038 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.39 CCC(=O)Cc1cn(cn1)C 1458a_100000210414_100000717665 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.39 CCC(=O)Cc1cn(cn1)C 1458a_100011512828_100000210202 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.39 CCC(=O)Cc1n[nH]c(n1)C 1458a_100011457670_100000210202 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.39 CCC(=O)Cc1nnc(o1)C 1458a_100000210414_100000181450 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.39 CCC(=O)Cc1nnc(s1)C 1458a_100000210414_100000688753 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.39 CCC(=O)Cc1noc(n1)C 1458a_100000105485_100000210202 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.39 CCC(=O)Cc1noc(n1)C 1458a_100000210414_100000231061 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.39 CCC(=O)Cc1noc(n1)C 270196a_100011245040_100000070787 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.39 CCC(=O)Cc1noc(n1)O 270196a_100011245040_100015183105 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.39 CCC(=O)Cn1cc(cn1)C 1458a_100000743463_100000210202 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.39 CCC(=O)Cn1cc(nn1)C 274090a_100000747405_200000242740 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.39 CCC(C)Sc1cc(on1)C 62a_100000716708_100000758301 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.39 CCC(C)Sc1cc(on1)C 62a_100000758301_100000716708 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.39 CCN(C)Cc1cc(on1)C 2230a_100000225621_100000199038 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.39 CCN(C)Cc1cc(on1)C 2230a_100000225746_100000210202 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.39 CCN(C)Cc1cc(on1)C 269982a_100000225621_100000199038 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.39 CCN(C)Cc1cc(on1)C 269982a_100000225746_100000204670 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.39 CNC(=O)Cc1cc(no1)C 11a_106832991635_100000037866 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.39 CNC(=O)Cc1cc(no1)C 1626a_100102657272_100000037866 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.39 CNC(=O)Cc1cc(no1)C 240690a_100102657272_100000037866 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.39 CNC(=O)Cc1cn(cn1)C 11a_106832991635_100011512828 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.39 CNC(=O)Cc1cn(cn1)C 1626a_100102657272_100011512828 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.39 CNC(=O)Cc1cn(cn1)C 240690a_100102657272_100011512828 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.39 CNC(=O)Cc1cn(cn1)C 527a_100102657272_100011512828 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.39 CNC(=O)Cc1n[nH]c(n1)C 240690a_100102657272_100011457670 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.39 CNC(=O)Cc1noc(n1)C 11a_106832991635_100000105485 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.39 CNC(=O)Cc1noc(n1)C 1626a_100102657272_100000105485 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.39 CNC(=O)Cc1noc(n1)C 240690a_100102657272_100000105485 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.39 CNC(=O)Cc1noc(n1)C 270196a_100000184394_100000070787 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.39 CNC(=O)Cc1noc(n1)O 270196a_100000184394_100015183105 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.39 CNC(=O)Cn1cc(cn1)C 11a_106832991635_100000743463 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.39 CNC(=O)Cn1cc(cn1)C 1626a_100102657272_100000743463 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.39 CNC(=O)Cn1cc(cn1)C 240690a_100102657272_100000743463 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.39 CNC(=O)Cn1cc(cn1)C 527a_100102657272_100000743463 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.39 CNC(=O)Cn1cc(nn1)C 274090a_100000183359_200000242740 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.39 COC(=O)Cc1cn(nn1)C 274090a_200000210301_100000760081 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.39 COC(=O)Cc1cn(nn1)[13CH3] 274090a_200025704644_100000760081 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.39 COC(=O)Cn1cc(nn1)C 274090a_100000747449_200000242740 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.39 COC(C)Sc1cc(on1)C 62a_100000716708_100009879195 [0,1,0,0,0,0|1,0,2]=4 229 B11R1.39 COC(C)Sc1cc(on1)C 62a_100009879195_100000716708 [0,1,0,0,0,0|1,0,2]=4 230 B11R1.39 Cc1cc(no1)CC(=O)CO 1458a_100000210174_100000199038 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.39 Cc1cc(no1)CN(C)CF 269982a_100000225746_100015361967 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.39 Cc1cc(no1)SC(C)C#N 62a_100000703298_100000716708 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.39 Cc1cc(no1)SC(C)C#N 62a_100000716708_100000703298 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.39 Cc1cc(no1)SC(C)CO 62a_100012180447_100000716708 [0,1,0,0,0,0|1,0,2]=4 235 B11R1.39 Cc1cc(no1)S[C@H](C)CO 62a_100000716708_100016084084 [0,1,0,0,0,0|1,0,2]=4 236 B11R1.39 Cc1cc(no1)S[C@H](C)CO 62a_100016084084_100000716708 [0,1,0,0,0,0|1,0,2]=4 237 B11R1.39 Cc1cc(on1)CC(=O)CF 1458a_100000037866_100015361967 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.39 Cc1cc(on1)CC(=O)CO 1458a_100000210174_100000707947 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.39 Cc1cnn(c1)CC(=O)CF 1458a_100000743463_100015361967 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.39 Cc1nc(n[nH]1)CC(=O)CF 1458a_100011457670_100015361967 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.39 Cc1nc(no1)CC(=O)CF 1458a_100000105485_100015361967 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.39 Cc1nc(no1)CC(=O)CO 1458a_100000210174_100000231061 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.39 Cc1nc(no1)N[C@H](C)CF 27a_100102880703_100012003639 [0,1,0,0,0,0|2,0,1]=4 244 B11R1.39 Cc1nc(no1)N[C@H](C)CO 27a_100000737577_100012003639 [0,1,0,0,0,0|1,0,2]=4 245 B11R1.39 Cc1nnc(o1)CC(=O)CO 1458a_100000210174_100000181450 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.39 Cc1nnc(s1)CC(=O)CO 1458a_100000210174_100000688753 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.39 Cn1cnc(c1)CC(=O)CF 1458a_100011512828_100015361967 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.39 Cn1cnc(c1)CC(=O)CO 1458a_100000210174_100000717665 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.43 C=Cc1cnc(s1)NC(=O)C 271570a_100011290941_100000050200 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.43 C=Cc1nnc(s1)NC(=O)C 271570a_100011290941_200010004617 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.43 CC(=O)Cc1noc(n1)CO 270196a_100011229364_100000210174 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.43 CC(=O)Cn1cc(cn1)S[13CH3] 62a_100000763327_200025704644 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.43 CC(=O)Cn1cc(cn1)S[13CH3] 62a_200025704644_100000763327 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.43 CC(=O)Nc1ccc(s1)S[13CH3] 62a_200025704644_100010002808 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.43 CC(=O)Nc1ncc(s1)S[13CH3] 62a_200025704644_100000050200 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.43 CC(=O)Nc1nnc(s1)S[13CH3] 62a_200025704644_200010004617 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.43 CC(C)Sc1cc(on1)CN 62a_100000210206_100015193020 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.43 CC(C)Sc1cc(on1)CN 62a_100015193020_100000210206 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.43 CC(C)Sc1cc(on1)CO 62a_100000210206_100009816691 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.43 CC(C)Sc1cc(on1)CO 62a_100009816691_100000210206 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.43 CCc1cc(no1)OC(C)C 34a_200009875660_100000210206 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.43 CCc1cc(on1)CC(=O)C 1458a_100000070787_100012000519 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.43 CCc1nc(n[nH]1)CC(=O)C 1458a_100000070787_100000698245 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.43 CCc1nc(no1)C=C(C)C 271570a_100102525489_100012003642 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.43 CCc1nc(no1)CC(=O)C 1458a_100000070787_100000736014 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.43 CCc1nc(no1)CC(=O)C 270196a_100011229364_100000210414 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.43 CCc1nc(no1)CC(=O)N 270196a_100000183472_100000210414 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.43 CCc1nc(no1)NC(C)C 27a_100138425928_100012003642 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.43 COc1nnc(s1)CC(=O)C 1458a_100000070787_100000744270 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.43 CSc1ccc(s1)NC(=O)C 62a_200000210301_100010002808 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.43 CSc1cnc(s1)NC(=O)C 62a_200000210301_100000050200 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.43 CSc1cnn(c1)CC(=O)C 62a_100000763327_200000210301 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.43 CSc1cnn(c1)CC(=O)C 62a_200000210301_100000763327 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.43 CSc1nnc(s1)NC(=O)C 62a_200000210301_200010004617 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.43 NC(=O)Cc1noc(n1)CO 270196a_100000183472_100000210174 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.76 Cc1cc(no1)SC(C)(C)C 62a_100000211941_100000716708 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.76 Cc1cc(no1)SC(C)(C)C 62a_100000716708_100000211941 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.76 Cc1nc(no1)CS(=O)(=O)C 270196a_100000179755_100000070787 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.80 CC(=Cc1cc(n(n1)C)C)C 271570a_100102525489_100012001299 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.80 CC(=O)Cc1cc(n(n1)C)C 1458a_100000070787_100000761402 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.80 CC(=O)Cc1nc(c(s1)C)C 1458a_100000070787_100000763442 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.80 CC(=O)Nc1nc(c(s1)O)C 271570a_203496583355_200010003082 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.313 CC(=Cc1n[nH]c(c1C)C)C 271570a_100102525489_100015309786 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.313 Cc1onc(c1Br)OC(C)C 34a_100010730664_100000210206 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.314 CC(=C(C)c1cc([nH]n1)C)C 271570a_200000049429_100015199547 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.314 CC(=C(C)c1noc(n1)C)C 271570a_200000049429_100012003639 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.314 CC(=O)C(C)c1noc(n1)C 270196a_100000741742_100000070787 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.314 CC(=O)C(C)c1noc(n1)O 270196a_100000741742_100015183105 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.314 CC(=O)C(C)n1cc(cn1)C 1458a_100102887401_200000210301 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.314 CC(=O)C(C)n1cc(nn1)C 274090a_100009814033_200000242740 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.314 Cc1cnn(c1)C(C)C(=O)[13CH3] 1458a_100102887401_200025704644 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.314 Cc1nc(no1)N(C)C(C)C 27a_200000211004_100012003639 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100000070787_100025716357 [0,1,0,0,0,0|2,0,1]=4 294 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100132302298_200000210301 [0,1,0,0,0,0|2,0,1]=4 295 B11R1.645 Cc1cc(n(n1)C)CC(=O)[13CH3] 1458a_100132302298_200025704644 [0,1,0,0,0,0|2,0,1]=4 296 B9R0.1 C/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020587592 [0,0,1,0,0,0|3,0,0]=4 297 B9R0.1 CC(=O)NN=C/C(=C\N)/C 4a_100000189765_100050415766 [0,0,1,0,0,0|2,0,1]=4 298 B9R0.1 COC(=O)C=NNC(=O)C 4a_100000189765_200011823558 [0,0,1,0,0,0|3,0,0]=4 299 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,0,1,0,0,0|1,0,2]=4 300 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,0,1,0,0,0|2,0,1]=4 301 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,0,1,0,0,0|2,0,1]=4 302 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,0,1,0,0,0|2,0,1]=4 303 B11R2.351 Cc1cc(no1)SC2CC2 62a_100000716708_100000211595 [0,0,0,1,0,0|2,0,1]=4 304 B11R2.351 Cc1nc(no1)NC2CC2 27a_100000212008_100012003639 [0,0,0,1,0,0|2,0,1]=4 305 B9R1.35 C=C(C)c1cc([nH]n1)C 271570a_100000694244_100015199547 [0,0,0,0,1,0|2,0,0]=3 306 B9R1.35 C=C(C)c1cc([nH]n1)N 271570a_100000694244_100009822546 [0,0,0,0,1,0|3,0,0]=4 307 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,0,0,0,1,0|3,0,0]=4 308 B9R1.35 C=C(C)c1cc(ns1)C 271570a_100000694244_100009815735 [0,0,0,0,1,0|3,0,0]=4 309 B9R1.35 C=C(C)c1cn(cn1)C 271570a_100000694244_100000040308 [0,0,0,0,1,0|3,0,0]=4 310 B9R1.35 C=C(C)c1cn(nn1)C 271570a_100000694244_100000760339 [0,0,0,0,1,0|3,0,0]=4 311 B9R1.35 C=C(C)c1cn(nn1)C 274090a_200000210301_100000037822 [0,0,0,0,1,0|3,0,0]=4 312 B9R1.35 C=C(C)c1cn(nn1)[13CH3] 274090a_200025704644_100000037822 [0,0,0,0,1,0|3,0,0]=4 313 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,0,0,0,1,0|2,1,0]=4 314 B9R1.35 C=C(C)c1n[nH]c(n1)C 271570a_100000694244_100000732540 [0,0,0,0,1,0|3,0,0]=4 315 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,0,0,0,1,0|3,0,0]=4 316 B9R1.35 C=C(C)c1nnc(o1)C 271570a_100000694244_100000708914 [0,0,0,0,1,0|3,0,0]=4 317 B9R1.35 C=C(C)c1nnc(s1)C 271570a_100000694244_100000686958 [0,0,0,0,1,0|3,0,0]=4 318 B9R1.35 C=C(C)c1noc(n1)C 271570a_100000694244_100012003639 [0,0,0,0,1,0|2,0,0]=3 319 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,0,1,0|3,0,0]=4 320 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [0,0,0,0,1,0|2,0,0]=3 321 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [0,0,0,0,1,0|2,0,0]=3 322 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,0,1,0|2,1,0]=4 323 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,0,0,0,1,0|3,0,0]=4 324 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,0,0,0,1,0|3,0,0]=4 325 B9R1.35 Cc1nc(no1)C(C)C 270196a_100000210513_100000070787 [0,0,0,0,1,0|2,0,1]=4 326 B9R1.35 Cc1nc(no1)N(C)C 27a_100102631434_100012003639 [0,0,0,0,1,0|3,0,0]=4 327 B9R1.35 Cn1cc(nn1)C(=O)N 274090a_200000210301_100011470575 [0,0,0,0,1,0|3,0,0]=4 328 B9R1.35 [13CH3]n1cc(nn1)C(=O)N 274090a_200025704644_100011470575 [0,0,0,0,1,0|3,0,0]=4 329 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [0,0,0,0,0,1|3,0,0]=4 330 B11R1.20 CC(=Cc1ccc(nn1)C)C 271570a_100102525489_100011450037 [0,0,0,0,0,1|3,0,0]=4 331 B11R1.20 CC(=Cc1cnc(cn1)C)C 271570a_100102525489_100011999403 [0,0,0,0,0,1|3,0,0]=4 332 B11R1.20 CC(=Cc1ncc(cn1)C)C 271570a_100102525489_100011825175 [0,0,0,0,0,1|3,0,0]=4 333 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,0,0,0,0,1|3,0,0]=4 334 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,0,0,0,0,1|3,0,0]=4 335 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,0,0,0,0,1|3,0,0]=4 336 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,0,0,0,0,1|3,0,0]=4 337 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,0,0,0,0,1|2,0,0]=3 338 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,0,0,0,0,1|2,0,0]=3 339 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,0,0,0,0,1|3,0,0]=4 340 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,0,0,0,0,1|3,0,0]=4 341 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,0,0,0,0,1|3,0,0]=4 342 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,0,0,0,0,1|3,0,0]=4 343 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,0,0,0,0,1|3,0,0]=4 344 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,0,0,0,0,1|3,0,0]=4 345 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,0,0,0,0,1|2,0,0]=3 346 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [0,0,0,0,0,1|3,0,0]=4 347 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,0,0,0,0,1|2,0,0]=3 348 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,0,0,0,0,1|3,0,0]=4 349 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,0,0,0,0,1|3,0,0]=4 350 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,0,0,0,0,1|3,0,0]=4 351 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,0,0,0,0,1|3,0,0]=4 352 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,0,0,0,0,1|2,0,0]=3 353 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,0,0,0,0,1|2,0,0]=3 354 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,0,0,0,0,1|2,0,0]=3 355 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,0,0,0,0,1|2,0,0]=3 356 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,0,0,0,0,1|3,0,0]=4 357 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,0,0,0,0,1|3,0,0]=4 358 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,0,0,0,0,1|3,0,0]=4 359 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,0,0,0,0,1|3,0,0]=4 360 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,0,0,0,0,1|3,0,0]=4 361 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,0,0,0,0,1|3,0,0]=4 362 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,0,0,0,0,1|3,0,0]=4 363 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,0,0,0,0,1|3,0,0]=4 364 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,0,0,0,0,1|3,0,0]=4 365 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,0,0,0,0,1|3,0,0]=4 366 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,0,0,0,0,1|3,0,0]=4 367 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,0,0,0,0,1|3,0,0]=4 368 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,0,0,0,0,1|3,0,0]=4 369 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,0,0,0,0,1|3,0,0]=4 370 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,0,0,0,0,1|2,0,0]=3 371 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,0,0,0,0,1|3,0,0]=4 372 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [0,0,0,0,0,1|2,0,0]=3 373 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [0,0,0,0,0,1|2,0,0]=3 374 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,0,0,0,0,1|3,0,0]=4 375 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,0,0,0,0,1|3,0,0]=4 376 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,0,0,0,0,1|2,0,0]=3 377 B11R1.20 Cc1ccc(nn1)NC(C)C 27a_100138425928_100000744512 [0,0,0,0,0,1|2,0,1]=4 378 B11R1.20 Cc1cnc(cn1)NC(C)C 27a_100138425928_100000074397 [0,0,0,0,0,1|2,0,1]=4 379 B11R1.20 Cc1cnc(nc1)NC(C)C 27a_100138425928_100000061069 [0,0,0,0,0,1|2,0,1]=4 380 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,0,0,0,0,1|3,0,0]=4 381 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,0,0,0,0,1|3,0,0]=4 382 B11R1.75 C=C(C)CNc1nnc(o1)C 27a_100000765925_100000708914 [0,0,0,0,0,1|3,0,0]=4 383 B11R1.75 C=C(C)CNc1nnc(s1)C 27a_100000765925_100000686958 [0,0,0,0,0,1|3,0,0]=4 384 B11R1.75 C=C(C)CNc1noc(n1)C 27a_100000765925_100012003639 [0,0,0,0,0,1|2,0,0]=3 385 B11R1.75 C=C(C)CSc1cc([nH]n1)C 62a_100000748629_100009819999 [0,0,0,0,0,1|3,0,0]=4 386 B11R1.75 C=C(C)CSc1cc([nH]n1)C 62a_100009819999_100000211660 [0,0,0,0,0,1|3,0,0]=4 387 B11R1.75 C=C(C)CSc1cc(on1)C 62a_100000716708_100000211660 [0,0,0,0,0,1|2,0,0]=3 388 B11R1.75 C=C(C)CSc1cc(on1)C 62a_100000748629_100000716708 [0,0,0,0,0,1|2,0,0]=3 389 B11R1.75 C=C(C)CSc1noc(n1)C 62a_100000748629_100012003639 [0,0,0,0,0,1|3,0,0]=4 390 B11R1.75 C=C(C)CSc1noc(n1)C 62a_100012003639_100000211660 [0,0,0,0,0,1|3,0,0]=4 391 B11R1.75 C=C(F)CSc1cc(on1)C 62a_100000042424_100000716708 [0,0,0,0,0,1|2,0,1]=4 392 B11R1.75 C=C(F)CSc1cc(on1)C 62a_100000716708_100000042424 [0,0,0,0,0,1|2,0,1]=4 393 B11R1.75 CC(=CCc1noc(n1)C)C 270196a_200103153325_100000070787 [0,0,0,0,0,1|3,0,0]=4 394 B11R1.75 CC(=O)CCc1n[nH]c(n1)C 1458a_102515433058_200000210301 [0,0,0,0,0,1|3,0,0]=4 395 B11R1.75 CC(=O)CCn1cc(cn1)C 1458a_100000743555_200000210301 [0,0,0,0,0,1|3,0,0]=4 396 B11R1.75 CC(=O)CSc1nnc([nH]1)C 1458a_100000245112_200000210301 [0,0,0,0,0,1|3,0,0]=4 397 B11R1.75 CC(=O)CSc1nnc(o1)C 1458a_200000179512_200000210301 [0,0,0,0,0,1|3,0,0]=4 398 B11R1.75 CC(=O)CSc1nnc(s1)C 1458a_200000191322_200000210301 [0,0,0,0,0,1|3,0,0]=4 399 B11R1.75 CC(=O)NCc1cc(cs1)Br 11a_100000741024_100015343762 [0,0,0,0,0,1|3,0,0]=4 400 B11R1.75 CC(=O)NCc1cc(cs1)Br 1626a_100000741024_100015343762 [0,0,0,0,0,1|3,0,0]=4 401 B11R1.75 CC(=O)NCc1cc(cs1)Br 240690a_100000741024_100015343762 [0,0,0,0,0,1|3,0,0]=4 402 B11R1.75 CC(=O)NCc1cc(cs1)Br 527a_100000741024_100103153847 [0,0,0,0,0,1|3,0,0]=4 403 B11R1.75 CC(=O)NCc1cc(cs1)C 11a_100015204214_100015343762 [0,0,0,0,0,1|2,0,0]=3 404 B11R1.75 CC(=O)NCc1cc(cs1)C 1626a_100015204214_100015343762 [0,0,0,0,0,1|2,0,0]=3 405 B11R1.75 CC(=O)NCc1cc(cs1)C 240690a_100015204214_100015343762 [0,0,0,0,0,1|2,0,0]=3 406 B11R1.75 CC(=O)NCc1cc(cs1)C 527a_100015204214_100103153847 [0,0,0,0,0,1|2,0,0]=3 407 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 11a_100025702664_100015343762 [0,0,0,0,0,1|1,0,1]=3 408 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 240690a_100025702664_100015343762 [0,0,0,0,0,1|1,0,1]=3 409 B11R1.75 CC(=O)NCc1cc(n[nH]1)C 527a_100025702664_100103153847 [0,0,0,0,0,1|1,0,1]=3 410 B11R1.75 CC(=O)NCc1cc(no1)Br 11a_100015193020_100015343762 [0,0,0,0,0,1|3,0,0]=4 411 B11R1.75 CC(=O)NCc1cc(no1)Br 240690a_100015193020_100015343762 [0,0,0,0,0,1|3,0,0]=4 412 B11R1.75 CC(=O)NCc1cc(no1)Br 527a_100015193020_100103153847 [0,0,0,0,0,1|3,0,0]=4 413 B11R1.75 CC(=O)NCc1cc(no1)C 11a_100000745748_100015343762 [0,0,0,0,0,1|2,0,0]=3 414 B11R1.75 CC(=O)NCc1cc(no1)C 240690a_100000745748_100015343762 [0,0,0,0,0,1|2,0,0]=3 415 B11R1.75 CC(=O)NCc1cc(no1)C 527a_100000745748_100103153847 [0,0,0,0,0,1|2,0,0]=3 416 B11R1.75 CC(=O)NCc1cc(on1)C 11a_100000745230_100015343762 [0,0,0,0,0,1|0,0,0]=1 417 B11R1.75 CC(=O)NCc1cc(on1)C 240690a_100000745230_100015343762 [0,0,0,0,0,1|0,0,0]=1 418 B11R1.75 CC(=O)NCc1cc(on1)C 527a_100000745230_100103153847 [0,0,0,0,0,1|0,0,0]=1 419 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,0,0,0,0,1|3,0,0]=4 420 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,0,0,0,0,1|3,0,0]=4 421 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,0,0,0,0,1|3,0,0]=4 422 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,0,0,0,0,1|3,0,0]=4 423 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,0,0,0,0,1|3,0,0]=4 424 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,0,0,0,0,1|3,0,0]=4 425 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,0,0,0,0,1|3,0,0]=4 426 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,0,0,0,0,1|3,0,0]=4 427 B11R1.75 CC(=O)NCc1cn(cn1)C 11a_100011834058_100015343762 [0,0,0,0,0,1|2,0,0]=3 428 B11R1.75 CC(=O)NCc1cn(cn1)C 1626a_100011834058_100015343762 [0,0,0,0,0,1|2,0,0]=3 429 B11R1.75 CC(=O)NCc1cn(cn1)C 240690a_100011834058_100015343762 [0,0,0,0,0,1|2,0,0]=3 430 B11R1.75 CC(=O)NCc1cn(cn1)C 527a_100011834058_100103153847 [0,0,0,0,0,1|2,0,0]=3 431 B11R1.75 CC(=O)NCc1cn(nn1)C 274090a_200000210301_100000175883 [0,0,0,0,0,1|2,0,0]=3 432 B11R1.75 CC(=O)NCc1cn(nn1)[13CH3] 274090a_200025704644_100000175883 [0,0,0,0,0,1|2,0,0]=3 433 B11R1.75 CC(=O)NCc1cnc(s1)C 11a_200000743601_100015343762 [0,0,0,0,0,1|3,0,0]=4 434 B11R1.75 CC(=O)NCc1cnc(s1)C 1626a_200000743601_100015343762 [0,0,0,0,0,1|3,0,0]=4 435 B11R1.75 CC(=O)NCc1cnc(s1)C 240690a_200000743601_100015343762 [0,0,0,0,0,1|3,0,0]=4 436 B11R1.75 CC(=O)NCc1cnc(s1)C 527a_200000743601_100103153847 [0,0,0,0,0,1|3,0,0]=4 437 B11R1.75 CC(=O)NCc1cnn(c1)C 11a_100000744365_100015343762 [0,0,0,0,0,1|3,0,0]=4 438 B11R1.75 CC(=O)NCc1cnn(c1)C 240690a_100000744365_100015343762 [0,0,0,0,0,1|3,0,0]=4 439 B11R1.75 CC(=O)NCc1cnn(c1)C 527a_100000744365_100103153847 [0,0,0,0,0,1|3,0,0]=4 440 B11R1.75 CC(=O)NCc1csc(n1)C 11a_100000707933_100015343762 [0,0,0,0,0,1|2,1,0]=4 441 B11R1.75 CC(=O)NCc1csc(n1)C 1626a_100000707933_100015343762 [0,0,0,0,0,1|2,1,0]=4 442 B11R1.75 CC(=O)NCc1csc(n1)C 240690a_100000707933_100015343762 [0,0,0,0,0,1|2,1,0]=4 443 B11R1.75 CC(=O)NCc1csc(n1)C 527a_100000707933_100103153847 [0,0,0,0,0,1|2,1,0]=4 444 B11R1.75 CC(=O)NCc1n[nH]c(=O)[nH]1 240690a_100000766346_100015343762 [0,0,0,0,0,1|3,0,0]=4 445 B11R1.75 CC(=O)NCc1n[nH]c(=O)[nH]1 527a_100000766346_100103153847 [0,0,0,0,0,1|3,0,0]=4 446 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 11a_100000752542_100015343762 [0,0,0,0,0,1|2,0,0]=3 447 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 240690a_100000752542_100015343762 [0,0,0,0,0,1|2,0,0]=3 448 B11R1.75 CC(=O)NCc1n[nH]c(n1)C 527a_100000752542_100103153847 [0,0,0,0,0,1|2,0,0]=3 449 B11R1.75 CC(=O)NCc1nc(cs1)C 11a_100015183719_100015343762 [0,0,0,0,0,1|3,0,0]=4 450 B11R1.75 CC(=O)NCc1nc(cs1)C 1626a_100015183719_100015343762 [0,0,0,0,0,1|3,0,0]=4 451 B11R1.75 CC(=O)NCc1nc(cs1)C 240690a_100015183719_100015343762 [0,0,0,0,0,1|3,0,0]=4 452 B11R1.75 CC(=O)NCc1nc(cs1)C 527a_100015183719_100103153847 [0,0,0,0,0,1|3,0,0]=4 453 B11R1.75 CC(=O)NCc1nc(no1)C 270196a_100000212224_100000194580 [0,0,0,0,0,1|3,0,0]=4 454 B11R1.75 CC(=O)NCc1ncc(o1)C 11a_100138411809_100015343762 [0,0,0,0,0,1|2,0,0]=3 455 B11R1.75 CC(=O)NCc1ncc(o1)C 1626a_100138411809_100015343762 [0,0,0,0,0,1|2,0,0]=3 456 B11R1.75 CC(=O)NCc1ncc(o1)C 240690a_100138411809_100015343762 [0,0,0,0,0,1|2,0,0]=3 457 B11R1.75 CC(=O)NCc1ncc(o1)C 527a_100138411809_100103153847 [0,0,0,0,0,1|2,0,0]=3 458 B11R1.75 CC(=O)NCc1ncc(s1)Br 11a_100016991807_100015343762 [0,0,0,0,0,1|3,0,0]=4 459 B11R1.75 CC(=O)NCc1ncc(s1)Br 240690a_100016991807_100015343762 [0,0,0,0,0,1|3,0,0]=4 460 B11R1.75 CC(=O)NCc1ncc(s1)Br 527a_100016991807_100103153847 [0,0,0,0,0,1|3,0,0]=4 461 B11R1.75 CC(=O)NCc1ncn(n1)C 11a_100000695864_100015343762 [0,0,0,0,0,1|3,0,0]=4 462 B11R1.75 CC(=O)NCc1ncn(n1)C 1626a_100000695864_100015343762 [0,0,0,0,0,1|3,0,0]=4 463 B11R1.75 CC(=O)NCc1ncn(n1)C 240690a_100000695864_100015343762 [0,0,0,0,0,1|3,0,0]=4 464 B11R1.75 CC(=O)NCc1ncn(n1)C 527a_100000695864_100103153847 [0,0,0,0,0,1|3,0,0]=4 465 B11R1.75 CC(=O)NCc1nnc(o1)C 11a_200000236979_100015343762 [0,0,0,0,0,1|2,0,0]=3 466 B11R1.75 CC(=O)NCc1nnc(o1)C 240690a_200000236979_100015343762 [0,0,0,0,0,1|2,0,0]=3 467 B11R1.75 CC(=O)NCc1nnc(o1)C 527a_200000236979_100103153847 [0,0,0,0,0,1|2,0,0]=3 468 B11R1.75 CC(=O)NCc1noc(n1)C 11a_100000756492_100015343762 [0,0,0,0,0,1|1,0,0]=2 469 B11R1.75 CC(=O)NCc1noc(n1)C 240690a_100000756492_100015343762 [0,0,0,0,0,1|1,0,0]=2 470 B11R1.75 CC(=O)NCc1noc(n1)C 527a_100000756492_100103153847 [0,0,0,0,0,1|1,0,0]=2 471 B11R1.75 CC(=O)NN=C1C=C(CC1)C 4a_100000189765_100000210602 [0,0,0,0,0,1|2,0,0]=3 472 B11R1.75 CC(=O)NN=C1C=C(OC1)C 4a_100000189765_200009860027 [0,0,0,0,0,1|1,0,0]=2 473 B11R1.75 CC(=O)NN=C1COC(=O)C1 4a_100000189765_100000211896 [0,0,0,0,0,1|2,0,1]=4 474 B11R1.75 CC(=O)NNc1cnn(c1)C 22a_102516457514_100000070787 [0,0,0,0,0,1|3,0,0]=4 475 B11R1.75 CC(=O)NNc1nc(cs1)C 22a_100000692962_100000070787 [0,0,0,0,0,1|3,0,0]=4 476 B11R1.75 CC(=O)OCc1cn(nn1)C 274090a_200000210301_100000006626 [0,0,0,0,0,1|3,0,0]=4 477 B11R1.75 CC(=O)OCc1cn(nn1)[13CH3] 274090a_200025704644_100000006626 [0,0,0,0,0,1|3,0,0]=4 478 B11R1.75 CC(=O)SCc1cn(nn1)C 274090a_200000210301_100044875725 [0,0,0,0,0,1|3,0,0]=4 479 B11R1.75 CC(=O)SCc1cn(nn1)[13CH3] 274090a_200025704644_100044875725 [0,0,0,0,0,1|3,0,0]=4 480 B11R1.75 CC1=CC(=NNC(C)C)CO1 4a_100000741168_200009860027 [0,0,0,0,0,1|2,0,1]=4 481 B11R1.75 Cc1cc(n[nH]1)SCC(=O)N 62a_100000747473_100009819999 [0,0,0,0,0,1|3,0,0]=4 482 B11R1.75 Cc1cc(n[nH]1)SCC(=O)N 62a_100009819999_100000747473 [0,0,0,0,0,1|3,0,0]=4 483 B11R1.75 Cc1cc(n[nH]1)SCC(=O)[O-] 62a_100009819999_100020667443 [0,0,0,0,0,1|3,0,0]=4 484 B11R1.75 Cc1cc(n[nH]1)SCC(=O)[O-] 62a_100020667443_100009819999 [0,0,0,0,0,1|3,0,0]=4 485 B11R1.75 Cc1cc(no1)CNC(C)C 207a_100138425928_100011217994 [0,0,0,0,0,1|1,0,1]=3 486 B11R1.75 Cc1cc(no1)CNC(C)C 2230a_100000745230_100000210206 [0,0,0,0,0,1|1,0,1]=3 487 B11R1.75 Cc1cc(no1)CNC(C)C 2230a_100138425928_100000199038 [0,0,0,0,0,1|1,0,1]=3 488 B11R1.75 Cc1cc(no1)CNC(C)C 34a_100000745230_100000210206 [0,0,0,0,0,1|1,0,1]=3 489 B11R1.75 Cc1cc(no1)CNC(C)C 34a_100138425928_100000199038 [0,0,0,0,0,1|1,0,1]=3 490 B11R1.75 Cc1cc(no1)COC(C)C 34a_100000212225_100000199038 [0,0,0,0,0,1|2,0,1]=4 491 B11R1.75 Cc1cc(no1)COC(C)C 34a_100011216401_100000210206 [0,0,0,0,0,1|2,0,1]=4 492 B11R1.75 Cc1cc(no1)CSC(C)C 62a_100000199038_100000210206 [0,0,0,0,0,1|2,0,1]=4 493 B11R1.75 Cc1cc(no1)CSC(C)C 62a_100000210206_100000199038 [0,0,0,0,0,1|2,0,1]=4 494 B11R1.75 Cc1cc(no1)SCC(=O)N 62a_100000716708_100000747473 [0,0,0,0,0,1|2,0,0]=3 495 B11R1.75 Cc1cc(no1)SCC(=O)N 62a_100000747473_100000716708 [0,0,0,0,0,1|2,0,0]=3 496 B11R1.75 Cc1cc(no1)SCC(=O)[O-] 62a_100000716708_100020667443 [0,0,0,0,0,1|2,0,0]=3 497 B11R1.75 Cc1cc(no1)SCC(=O)[O-] 62a_100020667443_100000716708 [0,0,0,0,0,1|2,0,0]=3 498 B11R1.75 Cc1cc(no1)SCC(C)C 62a_100000210624_100000716708 [0,0,0,0,0,1|2,0,1]=4 499 B11R1.75 Cc1cc(no1)SCC(C)C 62a_100000716708_100000210760 [0,0,0,0,0,1|2,0,1]=4 500 B11R1.75 Cc1cc(no1)SCC(C)O 62a_100000716708_100011218427 [0,0,0,0,0,1|1,0,2]=4 501 B11R1.75 Cc1cc(no1)SCC(C)O 62a_100011218427_100000716708 [0,0,0,0,0,1|1,0,2]=4 502 B11R1.75 Cc1cc(no1)SC[C@@H](C)O 62a_100000716708_100009817552 [0,0,0,0,0,1|1,0,2]=4 503 B11R1.75 Cc1cc(no1)SC[C@@H](C)O 62a_100009817552_100000716708 [0,0,0,0,0,1|1,0,2]=4 504 B11R1.75 Cc1cc(no1)SC[N+](=O)[O-] 62a_100000716708_100000761209 [0,0,0,0,0,1|3,0,0]=4 505 B11R1.75 Cc1cc(ns1)CNC(C)C 207a_100138425928_200000100279 [0,0,0,0,0,1|1,1,1]=4 506 B11R1.75 Cc1cnn(c1)CCC(=O)[13CH3] 1458a_100000743555_200025704644 [0,0,0,0,0,1|3,0,0]=4 507 B11R1.75 Cc1nc(n[nH]1)CCC(=O)[13CH3] 1458a_102515433058_200025704644 [0,0,0,0,0,1|3,0,0]=4 508 B11R1.75 Cc1nc(no1)CNC(C)C 2230a_100138425928_100000231061 [0,0,0,0,0,1|2,0,1]=4 509 B11R1.75 Cc1nc(no1)CNC(C)C 34a_100138425928_100000231061 [0,0,0,0,0,1|2,0,1]=4 510 B11R1.75 Cc1nc(no1)NCC(C)C 27a_100000210953_100012003639 [0,0,0,0,0,1|2,0,1]=4 511 B11R1.75 Cc1nc(no1)NCC(C)O 27a_100000210904_100012003639 [0,0,0,0,0,1|1,0,2]=4 512 B11R1.75 Cc1nc(no1)SCC(=O)N 62a_100000747473_100012003639 [0,0,0,0,0,1|3,0,0]=4 513 B11R1.75 Cc1nc(no1)SCC(=O)N 62a_100012003639_100000747473 [0,0,0,0,0,1|3,0,0]=4 514 B11R1.75 Cc1nc(no1)SCC(=O)[O-] 62a_100012003639_100020667443 [0,0,0,0,0,1|3,0,0]=4 515 B11R1.75 Cc1nc(no1)SCC(=O)[O-] 62a_100020667443_100012003639 [0,0,0,0,0,1|3,0,0]=4 516 B11R1.75 Cc1nnc([nH]1)SCC(=O)[13CH3] 1458a_100000245112_200025704644 [0,0,0,0,0,1|3,0,0]=4 517 B11R1.75 Cc1nnc(o1)SCC(=O)[13CH3] 1458a_200000179512_200025704644 [0,0,0,0,0,1|3,0,0]=4 518 B11R1.75 Cc1nnc(s1)SCC(=O)[13CH3] 1458a_200000191322_200025704644 [0,0,0,0,0,1|3,0,0]=4 519 B11R1.75 Cn1cc(nn1)CNC(=O)N 274090a_200000210301_100000238980 [0,0,0,0,0,1|3,0,0]=4 520 B11R1.75 [13CH3]n1cc(nn1)CNC(=O)N 274090a_200025704644_100000238980 [0,0,0,0,0,1|3,0,0]=4 521 B11R1.157 CC(=Cc1cc(ccn1)C)C 271570a_100102525489_100000750283 [0,0,0,0,0,1|3,0,0]=4 522 B11R1.157 CC(=Cc1cc(cnn1)C)C 271570a_100102525489_100000070100 [0,0,0,0,0,1|3,0,0]=4 523 B11R1.157 CC(=Cc1cc(ncn1)C)C 271570a_100102525489_100000744208 [0,0,0,0,0,1|3,0,0]=4 524 B11R1.157 CC(=Cc1cncc(c1)C)C 271570a_100102525489_100000760492 [0,0,0,0,0,1|3,0,0]=4 525 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,0,0,0,0,1|3,0,0]=4 526 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,0,0,0,0,1|2,0,0]=3 527 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,0,0,0,0,1|3,0,0]=4 528 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,0,0,0,0,1|3,0,0]=4 529 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,0,0,0,0,1|3,0,0]=4 530 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,0,0,0,0,1|3,0,0]=4 531 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,0,0,0,0,1|3,0,0]=4 532 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,0,0,0,0,1|3,0,0]=4 533 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,0,0,0,0,1|2,0,0]=3 534 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,0,0,0,0,1|3,0,0]=4 535 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,0,0,0,0,1|3,0,0]=4 536 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,0,0,0,0,1|3,0,0]=4 537 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,0,0,0,0,1|2,0,0]=3 538 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,0,0,0,0,1|3,0,0]=4 539 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,0,0,0,0,1|3,0,0]=4 540 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,0,0,0,0,1|3,0,0]=4 541 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,0,0,0,0,1|3,0,0]=4 542 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,0,0,0,0,1|2,0,0]=3 543 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,0,0,0,0,1|2,0,0]=3 544 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,0,0,0,0,1|2,0,0]=3 545 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,0,0,0,0,1|2,0,0]=3 546 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,0,0,0,0,1|3,0,0]=4 547 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,0,0,0,0,1|3,0,0]=4 548 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,0,0,0,0,1|3,0,0]=4 549 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,0,0,0,0,1|3,0,0]=4 550 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,0,0,0,0,1|3,0,0]=4 551 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,0,0,0,0,1|3,0,0]=4 552 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,0,0,0,0,1|3,0,0]=4 553 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,0,0,0,0,1|3,0,0]=4 554 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,0,0,0,0,1|3,0,0]=4 555 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,0,0,0,0,1|3,0,0]=4 556 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,0,0,0,0,1|3,0,0]=4 557 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,0,0,0,0,1|3,0,0]=4 558 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,0,0,0,0,1|3,0,0]=4 559 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,0,0,0,0,1|3,0,0]=4 560 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,0,0,0,0,1|3,0,0]=4 561 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [0,0,0,0,0,1|3,0,0]=4 562 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,0,0,0,0,1|2,0,0]=3 563 B11R1.157 CC(=O)Nc1cncc(n1)O 271570a_203496583355_100000703374 [0,0,0,0,0,1|3,0,0]=4 564 B11R1.157 Cc1cc(ncn1)NC(C)C 27a_100138425928_100000744208 [0,0,0,0,0,1|2,0,1]=4 565 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,0,0,0,0,1|3,0,0]=4 566 B11R1.157 Cc1cnnc(c1)NC(C)C 27a_100138425928_100000070100 [0,0,0,0,0,1|2,0,1]=4 567 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,0,0,0,0,1|3,0,0]=4 568 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,0,0,0,0,1|3,0,0]=4 569 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [1,0,1,0,0,0|2,0,0]=4 570 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [1,0,1,0,0,0|1,0,1]=4 571 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [1,0,1,0,0,0|1,0,1]=4 572 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [1,0,1,0,0,0|1,0,1]=4 573 B8R0.16 C=C[C@@H](CO)NC(=O)C 240690a_100016989147_100015343762 [1,0,1,0,0,0|1,0,1]=4 574 B8R0.16 C=C[C@@H](CO)NC(=O)C 527a_100016989147_100103153847 [1,0,1,0,0,0|1,0,1]=4 575 B8R1.1 C=Cc1cc([nH]n1)C 271570a_100011290941_100015199547 [2,0,0,0,0,0|1,0,1]=4 576 B8R1.1 C=Cc1noc(n1)C 271570a_100011290941_100012003639 [2,0,0,0,0,0|1,0,1]=4 577 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [2,0,0,0,0,0|1,0,1]=4 578 B8R1.1 CNc1nnc(o1)C 27a_100102657272_100000708914 [2,0,0,0,0,0|2,0,0]=4 579 B8R1.1 CNc1nnc(s1)C 27a_100102657272_100000686958 [2,0,0,0,0,0|2,0,0]=4 580 B8R1.1 CNc1noc(n1)C 27a_100102657272_100012003639 [2,0,0,0,0,0|1,0,0]=3 581 B8R1.1 CSc1cc([nH]n1)C 62a_100009819999_200000210301 [2,0,0,0,0,0|2,0,0]=4 582 B8R1.1 CSc1cc([nH]n1)C 62a_200000210301_100009819999 [2,0,0,0,0,0|2,0,0]=4 583 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [2,0,0,0,0,0|1,0,0]=3 584 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [2,0,0,0,0,0|1,0,0]=3 585 B8R1.1 CSc1noc(n1)C 62a_100012003639_200000210301 [2,0,0,0,0,0|2,0,0]=4 586 B8R1.1 CSc1noc(n1)C 62a_200000210301_100012003639 [2,0,0,0,0,0|2,0,0]=4 587 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_100009819999_200025704644 [2,0,0,0,0,0|2,0,0]=4 588 B8R1.1 Cc1cc(n[nH]1)S[13CH3] 62a_200025704644_100009819999 [2,0,0,0,0,0|2,0,0]=4 589 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [2,0,0,0,0,0|1,0,0]=3 590 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [2,0,0,0,0,0|1,0,0]=3 591 B8R1.1 Cc1nc(no1)S[13CH3] 62a_100012003639_200025704644 [2,0,0,0,0,0|2,0,0]=4 592 B8R1.1 Cc1nc(no1)S[13CH3] 62a_200025704644_100012003639 [2,0,0,0,0,0|2,0,0]=4 593 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [2,0,0,0,0,0|2,0,0]=4 594 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [2,0,0,0,0,0|2,0,0]=4 595 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [2,0,0,0,0,0|1,1,0]=4 596 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [2,0,0,0,0,0|1,0,1]=4 597 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [2,0,0,0,0,0|1,0,1]=4 598 B8R1.8 CNCc1ccon1 2230a_106832991635_100000234950 [2,0,0,0,0,0|2,0,0]=4 599 B8R1.8 CNCc1ccon1 34a_100102657272_100000234950 [2,0,0,0,0,0|2,0,0]=4 600 B8R1.8 CNCc1ccon1 7a_106832991635_100000234950 [2,0,0,0,0,0|2,0,0]=4 601 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [2,0,0,0,0,0|2,0,0]=4 602 B8R1.8 CSCc1ccon1 62a_100000234950_200000210301 [2,0,0,0,0,0|2,0,0]=4 603 B8R1.8 CSCc1ccon1 62a_200000210301_100000234950 [2,0,0,0,0,0|2,0,0]=4 604 B8R1.8 [13CH3]SCc1ccon1 62a_100000234950_200025704644 [2,0,0,0,0,0|2,0,0]=4 605 B8R1.8 [13CH3]SCc1ccon1 62a_200025704644_100000234950 [2,0,0,0,0,0|2,0,0]=4 606 B10R1.14 CC=C(C)c1noc(n1)C 270196a_100000685141_100000070787 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.14 CNC(C)c1cc(on1)C 269862a_106832991636_100000723125 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.16 C=CCNc1noc(n1)C 27a_100020586998_100012003639 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.16 C=CCSc1cc(on1)C 62a_100000210623_100000716708 [1,1,0,0,0,0|1,0,1]=4 610 B10R1.16 C=CCSc1cc(on1)C 62a_100000716708_100000210623 [1,1,0,0,0,0|1,0,1]=4 611 B10R1.16 CCC=Cc1noc(n1)C 270196a_100016260345_100000070787 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.16 CCCSc1cc(on1)C 62a_100000210303_100000716708 [1,1,0,0,0,0|1,0,1]=4 613 B10R1.16 CCCSc1cc(on1)C 62a_100000716708_100000210303 [1,1,0,0,0,0|1,0,1]=4 614 B10R1.16 CCNCc1cc(on1)C 207a_100015525214_100011217994 [1,1,0,0,0,0|0,0,1]=3 615 B10R1.16 CCNCc1cc(on1)C 2230a_100000745230_100000210202 [1,1,0,0,0,0|0,0,1]=3 616 B10R1.16 CCNCc1cc(on1)C 2230a_100015525214_100000199038 [1,1,0,0,0,0|0,0,1]=3 617 B10R1.16 CCNCc1cc(on1)C 270004a_100015525214_100011217994 [1,1,0,0,0,0|0,0,1]=3 618 B10R1.16 CCNCc1cc(on1)C 34a_100000745230_100000210202 [1,1,0,0,0,0|0,0,1]=3 619 B10R1.16 CCNCc1cc(sn1)C 207a_100015525214_200000100279 [1,1,0,0,0,0|0,1,1]=4 620 B10R1.16 CCNCc1cc(sn1)C 270004a_100015525214_200000100279 [1,1,0,0,0,0|0,1,1]=4 621 B10R1.16 CCNCc1noc(n1)C 2230a_100015525214_100000231061 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.16 CCNN=C1C=C(OC1)C 4a_100000756455_200009860027 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.16 CCOCc1cc(on1)C 34a_100011216401_100000210202 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.16 CCOCc1cc(on1)C 34a_100121572206_100000199038 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.16 CCSCc1cc(on1)C 62a_100000199038_100000210202 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.16 CCSCc1cc(on1)C 62a_100000210202_100000199038 [1,1,0,0,0,0|1,0,1]=4 627 B10R1.16 COCSc1cc(on1)C 62a_100000716708_100000766300 [1,1,0,0,0,0|1,0,1]=4 628 B10R1.16 COCSc1cc(on1)C 62a_100000766300_100000716708 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.16 CSCSc1cc(on1)C 62a_100000716708_100011218213 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.16 CSCSc1cc(on1)C 62a_100011218213_100000716708 [1,1,0,0,0,0|1,0,1]=4 631 B10R1.16 Cc1cc(n[nH]1)SCC=O 62a_100009819999_200015260668 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.16 Cc1cc(n[nH]1)SCC=O 62a_200015260668_100009819999 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.16 Cc1cc(no1)CNCF 34a_100000745230_100015361967 [1,1,0,0,0,0|1,0,1]=4 634 B10R1.16 Cc1cc(no1)COCF 34a_100011216401_100015361967 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.16 Cc1cc(no1)CSCF 62a_100000199038_100015361967 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.16 Cc1cc(no1)CSCF 62a_100015361967_100000199038 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.16 Cc1cc(no1)SCC=O 62a_100000716708_200015260668 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.16 Cc1cc(no1)SCC=O 62a_200015260668_100000716708 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.16 Cc1cc(no1)SCCF 62a_100000716708_100011217306 [1,1,0,0,0,0|1,0,1]=4 640 B10R1.16 Cc1cc(no1)SCCF 62a_100011217306_100000716708 [1,1,0,0,0,0|1,0,1]=4 641 B10R1.16 Cc1cc(no1)SCCO 62a_100000211926_100000716708 [1,1,0,0,0,0|1,0,1]=4 642 B10R1.16 Cc1cc(no1)SCCO 62a_100000716708_100000211926 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.16 Cc1nc(no1)NCCO 27a_100000210304_100012003639 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.16 Cc1nc(no1)SCC=O 62a_100012003639_200015260668 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.16 Cc1nc(no1)SCC=O 62a_200015260668_100012003639 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.94 CC=Cc1n[nH]c(c1C)C 271570a_100016259895_100015309786 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.94 CCOc1noc(c1Br)C 34a_100010730664_100000210202 [1,1,0,0,0,0|1,0,1]=4 648 B10R1.96 CC=Cc1noc(n1)CC 270196a_200000210507_100000210414 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.96 CC=Cc1noc(n1)CC 271570a_100016259895_100012003642 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.96 CC=Cc1noc(n1)CO 270196a_200000210507_100000210174 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.96 CCNc1noc(n1)CC 27a_100015525214_100012003642 [1,1,0,0,0,0|1,0,1]=4 652 B10R1.96 CCOc1cc(on1)CC 34a_200009875660_100000210202 [1,1,0,0,0,0|1,0,1]=4 653 B10R1.96 CCSc1cc(on1)CN 62a_100000210202_100015193020 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.96 CCSc1cc(on1)CN 62a_100015193020_100000210202 [1,1,0,0,0,0|1,0,1]=4 655 B10R1.96 CCSc1cc(on1)CO 62a_100000210202_100009816691 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.96 CCSc1cc(on1)CO 62a_100009816691_100000210202 [1,1,0,0,0,0|1,0,1]=4 657 B10R1.131 CC=Cc1cc(n(n1)C)C 271570a_100016259895_100012001299 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.27 C#CC(=O)Cc1ccon1 1458a_100000211873_100000234950 [1,1,0,0,0,0|1,0,1]=4 659 B10R1.27 C=CC(=O)Cc1ccon1 1458a_100000185746_100000234950 [1,1,0,0,0,0|1,0,1]=4 660 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.27 CCC(=O)NC1C=CN=N1 11a_100134613517_100000210414 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.27 CCC(=O)NC1C=CN=N1 240690a_100134613517_100000210414 [1,1,0,0,0,0|1,0,1]=4 664 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.27 CNC(=O)NC1C=CN=N1 2708a_100102657272_100134613517 [1,1,0,0,0,0|1,0,1]=4 669 B10R1.27 CNC(=O)NC1C=CN=N1 273464a_100102657272_100134613517 [1,1,0,0,0,0|1,0,1]=4 670 B10R1.27 CNC(=O)NC1C=CN=N1 273464a_100134613517_100102657272 [1,1,0,0,0,0|1,0,1]=4 671 B10R1.27 CNC(=O)NC1C=CN=N1 512a_106832991638_100134613517 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.27 O=C(CF)Cc1ccoc1 1458a_100000684892_100015361967 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.27 O=C(CO)Cc1ccon1 1458a_100000210174_100000234950 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.27 O=C(CO)NC1C=CN=N1 240690a_100134613517_100000210174 [1,1,0,0,0,0|1,0,1]=4 675 B10R1.64 CC(=O)Cc1nonc1C 1458a_100000070787_200000044682 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.64 CC(=O)Cc1nonc1C 1458a_100000238572_200000210301 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.64 Cc1nonc1CC(=O)[13CH3] 1458a_100000238572_200025704644 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.31 C=C(C)c1noc(n1)CC 271570a_100000694244_100012003642 [0,1,0,0,1,0|2,0,0]=4 679 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,1,0,0,1,0|2,0,0]=4 680 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,1,0,0,1,0|2,0,0]=4 681 B10R1.31 CC(=O)c1cn(nn1)CF 274090a_100015361967_100000690481 [0,1,0,0,1,0|2,0,0]=4 682 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,1,0,0,1,0|1,1,0]=4 683 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,1,0,0,1,0|1,1,0]=4 684 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_100000693680_200025704644 [0,1,0,0,1,0|2,0,0]=4 685 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100000693680 [0,1,0,0,1,0|2,0,0]=4 686 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_100010205889_200025704644 [0,1,0,0,1,0|2,0,0]=4 687 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_200025704644_100010205889 [0,1,0,0,1,0|2,0,0]=4 688 B10R1.31 CCn1cc(nn1)C(=O)C 274090a_100000204670_100000690481 [0,1,0,0,1,0|2,0,0]=4 689 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,1,0,0,1,0|1,1,0]=4 690 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,1,0,0,1,0|1,1,0]=4 691 B10R1.31 CSc1cnc(s1)C(=O)C 62a_100000693680_200000210301 [0,1,0,0,1,0|2,0,0]=4 692 B10R1.31 CSc1cnc(s1)C(=O)C 62a_200000210301_100000693680 [0,1,0,0,1,0|2,0,0]=4 693 B10R1.31 CSc1cnn(c1)C(=O)C 62a_100010205889_200000210301 [0,1,0,0,1,0|2,0,0]=4 694 B10R1.31 CSc1cnn(c1)C(=O)C 62a_200000210301_100010205889 [0,1,0,0,1,0|2,0,0]=4 695 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,1,0,0,1,0|2,0,0]=4 696 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,1,0,0,1,0|2,0,0]=4 697 B10R1.58 C=C(C)c1cc(n(n1)C)C 271570a_100000694244_100012001299 [0,1,0,0,1,0|2,0,0]=4 698 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,1,0,0,1,0|2,0,0]=4 699 B10R1.194 C=C(C)c1n[nH]c(c1C)C 271570a_100000694244_100015309786 [0,1,0,0,1,0|2,0,0]=4 700 B12R1.4 C=Cc1ccc(nc1)NC(=O)C 271570a_100011290941_100000193312 [0,1,0,0,0,1|1,0,1]=4 701 B12R1.4 C=Cc1ccc(nn1)NC(=O)C 271570a_100011290941_100011804224 [0,1,0,0,0,1|1,0,1]=4 702 B12R1.4 C=Cc1cnc(nc1)NC(=O)C 271570a_100011290941_100010141023 [0,1,0,0,0,1|1,0,1]=4 703 B12R1.4 CC(=O)Nc1ccc(cc1)CO 22a_100011215238_100000070787 [0,1,0,0,0,1|2,0,0]=4 704 B12R1.4 CC(=O)Nc1ccc(cc1)N[13CH3] 34a_100000184111_200025704644 [0,1,0,0,0,1|2,0,0]=4 705 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100000184395_200025704644 [0,1,0,0,0,1|2,0,0]=4 706 B12R1.4 CC(=O)Nc1ccc(cc1)O[13CH3] 7a_100000184395_200025704644 [0,1,0,0,0,1|2,0,0]=4 707 B12R1.4 CC(=O)Nc1ccc(cc1)S[13CH3] 62a_200025704644_100000155215 [0,1,0,0,0,1|2,0,0]=4 708 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 34a_200000094647_200025704644 [0,1,0,0,0,1|1,0,0]=3 709 B12R1.4 CC(=O)Nc1ccc(cn1)O[13CH3] 7a_200000094647_200025704644 [0,1,0,0,0,1|1,0,0]=3 710 B12R1.4 CC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000193312 [0,1,0,0,0,1|1,0,0]=3 711 B12R1.4 CC(=O)Nc1ccc(nc1)S[13CH3] 62a_200025704644_100011934715 [0,1,0,0,0,1|2,0,0]=4 712 B12R1.4 CC(=O)Nc1ccc(nn1)S[13CH3] 62a_200025704644_100011804224 [0,1,0,0,0,1|1,0,0]=3 713 B12R1.4 CC(=O)Nc1cnc(nc1)S[13CH3] 62a_200025704644_200010565192 [0,1,0,0,0,1|2,0,0]=4 714 B12R1.4 CC(=O)Nc1ncc(cn1)S[13CH3] 62a_100010141023_200025704644 [0,1,0,0,0,1|1,0,0]=3 715 B12R1.4 CC(=O)Nc1ncc(cn1)S[13CH3] 62a_200025704644_100010141023 [0,1,0,0,0,1|1,0,0]=3 716 B12R1.4 CCc1ccc(cc1)NC(=O)C 11a_100000211069_100015343762 [0,1,0,0,0,1|2,0,0]=4 717 B12R1.4 CCc1ccc(cc1)NC(=O)C 1626a_100000211069_100015343762 [0,1,0,0,0,1|2,0,0]=4 718 B12R1.4 CCc1ccc(cc1)NC(=O)C 22a_100000211069_100000070787 [0,1,0,0,0,1|2,0,0]=4 719 B12R1.4 CCc1ccc(cc1)NC(=O)C 527a_100000211069_100103153847 [0,1,0,0,0,1|2,0,0]=4 720 B12R1.4 CNc1ccc(cc1)NC(=O)C 34a_100000184111_200000210301 [0,1,0,0,0,1|2,0,0]=4 721 B12R1.4 COc1ccc(cc1)NC(=O)C 11a_100000184247_100015343762 [0,1,0,0,0,1|2,0,0]=4 722 B12R1.4 COc1ccc(cc1)NC(=O)C 1626a_100000184247_100015343762 [0,1,0,0,0,1|2,0,0]=4 723 B12R1.4 COc1ccc(cc1)NC(=O)C 22a_100000184247_100000070787 [0,1,0,0,0,1|2,0,0]=4 724 B12R1.4 COc1ccc(cc1)NC(=O)C 34a_100000184395_200000210301 [0,1,0,0,0,1|2,0,0]=4 725 B12R1.4 COc1ccc(cc1)NC(=O)C 527a_100000184247_100103153847 [0,1,0,0,0,1|2,0,0]=4 726 B12R1.4 COc1ccc(cc1)NC(=O)C 7a_100000184395_200000210301 [0,1,0,0,0,1|2,0,0]=4 727 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000070787_200000757186 [0,1,0,0,0,1|2,0,0]=4 728 B12R1.4 COc1ccc(nc1)CC(=O)C 1458a_100000722272_200000210301 [0,1,0,0,0,1|2,0,0]=4 729 B12R1.4 COc1ccc(nc1)CC(=O)[13CH3] 1458a_100000722272_200025704644 [0,1,0,0,0,1|2,0,0]=4 730 B12R1.4 COc1ccc(nc1)NC(=O)C 34a_200000094647_200000210301 [0,1,0,0,0,1|1,0,0]=3 731 B12R1.4 COc1ccc(nc1)NC(=O)C 7a_200000094647_200000210301 [0,1,0,0,0,1|1,0,0]=3 732 B12R1.4 CSc1ccc(cc1)NC(=O)C 11a_100000212337_100015343762 [0,1,0,0,0,1|2,0,0]=4 733 B12R1.4 CSc1ccc(cc1)NC(=O)C 22a_100000212337_100000070787 [0,1,0,0,0,1|2,0,0]=4 734 B12R1.4 CSc1ccc(cc1)NC(=O)C 527a_100000212337_100103153847 [0,1,0,0,0,1|2,0,0]=4 735 B12R1.4 CSc1ccc(cc1)NC(=O)C 62a_200000210301_100000155215 [0,1,0,0,0,1|2,0,0]=4 736 B12R1.4 CSc1ccc(cn1)NC(=O)C 62a_200000210301_100011934715 [0,1,0,0,0,1|2,0,0]=4 737 B12R1.4 CSc1ccc(nc1)NC(=O)C 62a_200000210301_100000193312 [0,1,0,0,0,1|1,0,0]=3 738 B12R1.4 CSc1ccc(nn1)NC(=O)C 62a_200000210301_100011804224 [0,1,0,0,0,1|1,0,0]=3 739 B12R1.4 CSc1cnc(nc1)NC(=O)C 62a_100010141023_200000210301 [0,1,0,0,0,1|1,0,0]=3 740 B12R1.4 CSc1cnc(nc1)NC(=O)C 62a_200000210301_100010141023 [0,1,0,0,0,1|1,0,0]=3 741 B12R1.4 CSc1ncc(cn1)NC(=O)C 62a_200000210301_200010565192 [0,1,0,0,0,1|2,0,0]=4 742 B12R1.19 CC(=O)Nc1cc(c(cn1)O)C 271570a_203496583355_100011934553 [0,1,0,0,0,1|2,0,0]=4 743 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100015343762 [0,1,0,0,0,1|2,0,0]=4 744 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100015343762 [0,1,0,0,0,1|2,0,0]=4 745 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000070787 [0,1,0,0,0,1|2,0,0]=4 746 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100103153847 [0,1,0,0,0,1|2,0,0]=4 747 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,1,0,0,0,1|2,0,0]=4 748 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,1,0,0,0,1|2,0,0]=4 749 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,1,0,0,0,1|2,0,0]=4 750 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,1,0,0,0,1|2,0,0]=4 751 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100015343762 [0,1,0,0,0,1|2,0,0]=4 752 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100015343762 [0,1,0,0,0,1|2,0,0]=4 753 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000070787 [0,1,0,0,0,1|2,0,0]=4 754 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100103153847 [0,1,0,0,0,1|2,0,0]=4 755 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100015343762 [0,1,0,0,0,1|2,0,0]=4 756 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100015343762 [0,1,0,0,0,1|2,0,0]=4 757 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000070787 [0,1,0,0,0,1|2,0,0]=4 758 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100103153847 [0,1,0,0,0,1|2,0,0]=4 759 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100015343762 [0,1,0,0,0,1|2,0,0]=4 760 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100015343762 [0,1,0,0,0,1|2,0,0]=4 761 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000070787 [0,1,0,0,0,1|2,0,0]=4 762 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100103153847 [0,1,0,0,0,1|2,0,0]=4 763 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,1,0,0,0,1|2,0,0]=4 764 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,1,0,0,0,1|2,0,0]=4 765 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,1,0,0,0,1|2,0,0]=4 766 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,1,0,0,0,1|2,0,0]=4 767 B12R1.19 CC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187074 [0,1,0,0,0,1|2,0,0]=4 768 B12R1.19 CC(=O)Nc1ccc(c(n1)F)O 271570a_203496583355_100000050017 [0,1,0,0,0,1|2,0,0]=4 769 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,1,0,0,0,1|2,0,0]=4 770 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,1,0,0,0,1|2,0,0]=4 771 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,1,0,0,0,1|2,0,0]=4 772 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100000210414_100000691093 [0,1,0,0,0,1|2,0,0]=4 773 B12R1.49 CCC(=O)Cc1ccc(cn1)C 1458a_100025705728_100000210202 [0,1,0,0,0,1|2,0,0]=4 774 B12R1.49 CCC(=O)Cc1cnc(cn1)C 1458a_100000210414_100000752025 [0,1,0,0,0,1|2,0,0]=4 775 B12R1.49 CCC(=O)Cc1ncc(cn1)C 1458a_100000210414_100000685645 [0,1,0,0,0,1|2,0,0]=4 776 B12R1.49 CCC(=O)Nc1ccc(cc1)C 11a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 777 B12R1.49 CCC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 778 B12R1.49 CCC(=O)Nc1ccc(cc1)C 22a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 779 B12R1.49 CCC(=O)Nc1ccc(cc1)C 527a_100000124888_100000210414 [0,1,0,0,0,1|2,0,0]=4 780 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,1,0,0,0,1|2,0,0]=4 781 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,1,0,0,0,1|2,0,0]=4 782 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,1,0,0,0,1|2,0,0]=4 783 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,0,0,0,1|2,0,0]=4 784 B12R1.49 COC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000188976 [0,1,0,0,0,1|2,0,0]=4 785 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,0,0,0,1|2,0,0]=4 786 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,0,0,0,1|2,0,0]=4 787 B12R1.49 Cc1ccc(nc1)CC(=O)CF 1458a_100025705728_100015361967 [0,1,0,0,0,1|2,0,0]=4 788 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,1,0,0,0,1|2,0,0]=4 789 B12R1.49 Cc1cnc(cn1)CC(=O)CO 1458a_100000210174_100000752025 [0,1,0,0,0,1|2,0,0]=4 790 B12R1.49 Cc1cnc(nc1)CC(=O)CO 1458a_100000210174_100000685645 [0,1,0,0,0,1|2,0,0]=4 791 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,1,0,0,0,1|2,0,0]=4 792 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [0,1,0,0,0,1|2,0,0]=4 793 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [0,1,0,0,0,1|2,0,0]=4 794 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,1,0,0,0,1|2,0,0]=4 795 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,1,0,0,0,1|2,0,0]=4 797 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,1,0,0,0,1|2,0,0]=4 798 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [0,1,0,0,0,1|2,0,0]=4 799 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [0,1,0,0,0,1|2,0,0]=4 801 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [0,1,0,0,0,1|2,0,0]=4 802 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [0,1,0,0,0,1|2,0,0]=4 805 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [0,1,0,0,0,1|2,0,0]=4 806 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [0,1,0,0,0,1|2,0,0]=4 807 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,1,0,0,0,1|2,0,0]=4 808 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,1,0,0,0,1|2,0,0]=4 809 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,1,0,0,0,1|2,0,0]=4 810 B12R1.233 CC(=O)Nc1ncc(cc1C)O 271570a_203496583355_200011934169 [0,1,0,0,0,1|2,0,0]=4 811 B12R1.233 CC(=O)Nc1ncc(cc1O)C 271570a_203496583355_200009816786 [0,1,0,0,0,1|1,0,0]=3 812 B12R1.26 C#CC(C)NCc1cc(on1)C 2230a_100000707721_100000199038 [0,1,0,0,0,1|1,0,1]=4 813 B12R1.26 C#CC(C)NCc1cc(on1)C 270004a_100000707721_100011217994 [0,1,0,0,0,1|1,0,1]=4 814 B12R1.26 C#CC(C)NCc1cc(on1)C 34a_100000707721_100000199038 [0,1,0,0,0,1|1,0,1]=4 815 B12R1.26 C#CC(C)NCc1cc(on1)C 34a_100000745230_200000035995 [0,1,0,0,0,1|1,0,1]=4 816 B12R1.26 C=CC(=O)NCc1cc(on1)C 240690a_100000745230_200121576911 [0,1,0,0,0,1|0,0,1]=3 817 B12R1.26 C=CC(=O)NCc1noc(n1)C 240690a_100000756492_200121576911 [0,1,0,0,0,1|1,0,1]=4 818 B12R1.26 CCC(=O)CSc1cc([nH]n1)C 62a_100000747405_100009819999 [0,1,0,0,0,1|2,0,0]=4 819 B12R1.26 CCC(=O)CSc1cc([nH]n1)C 62a_100009819999_100000747405 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.26 CCC(=O)CSc1cc(on1)C 62a_100000716708_100000747405 [0,1,0,0,0,1|1,0,0]=3 821 B12R1.26 CCC(=O)CSc1cc(on1)C 62a_100000747405_100000716708 [0,1,0,0,0,1|1,0,0]=3 822 B12R1.26 CCC(=O)CSc1noc(n1)C 62a_100000747405_100012003639 [0,1,0,0,0,1|2,0,0]=4 823 B12R1.26 CCC(=O)CSc1noc(n1)C 62a_100012003639_100000747405 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.26 CCC(=O)NCc1cc(cs1)C 11a_100015204214_100000210414 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.26 CCC(=O)NCc1cc(cs1)C 1626a_100015204214_100000210414 [0,1,0,0,0,1|2,0,0]=4 826 B12R1.26 CCC(=O)NCc1cc(cs1)C 240690a_100015204214_100000210414 [0,1,0,0,0,1|2,0,0]=4 827 B12R1.26 CCC(=O)NCc1cc(cs1)C 527a_100015204214_100000210414 [0,1,0,0,0,1|2,0,0]=4 828 B12R1.26 CCC(=O)NCc1cc(n[nH]1)C 11a_100025702664_100000210414 [0,1,0,0,0,1|1,0,1]=4 829 B12R1.26 CCC(=O)NCc1cc(n[nH]1)C 240690a_100025702664_100000210414 [0,1,0,0,0,1|1,0,1]=4 830 B12R1.26 CCC(=O)NCc1cc(n[nH]1)C 527a_100025702664_100000210414 [0,1,0,0,0,1|1,0,1]=4 831 B12R1.26 CCC(=O)NCc1cc(no1)C 11a_100000745748_100000210414 [0,1,0,0,0,1|2,0,0]=4 832 B12R1.26 CCC(=O)NCc1cc(no1)C 240690a_100000745748_100000210414 [0,1,0,0,0,1|2,0,0]=4 833 B12R1.26 CCC(=O)NCc1cc(no1)C 527a_100000745748_100000210414 [0,1,0,0,0,1|2,0,0]=4 834 B12R1.26 CCC(=O)NCc1cc(on1)C 11a_100000745230_100000210414 [0,1,0,0,0,1|0,0,0]=2 835 B12R1.26 CCC(=O)NCc1cc(on1)C 240690a_100000745230_100000210414 [0,1,0,0,0,1|0,0,0]=2 836 B12R1.26 CCC(=O)NCc1cc(on1)C 527a_100000745230_100000210414 [0,1,0,0,0,1|0,0,0]=2 837 B12R1.26 CCC(=O)NCc1cn(cn1)C 11a_100011834058_100000210414 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.26 CCC(=O)NCc1cn(cn1)C 1626a_100011834058_100000210414 [0,1,0,0,0,1|2,0,0]=4 839 B12R1.26 CCC(=O)NCc1cn(cn1)C 240690a_100011834058_100000210414 [0,1,0,0,0,1|2,0,0]=4 840 B12R1.26 CCC(=O)NCc1cn(cn1)C 527a_100011834058_100000210414 [0,1,0,0,0,1|2,0,0]=4 841 B12R1.26 CCC(=O)NCc1cn(nn1)C 274090a_200000210301_100000175907 [0,1,0,0,0,1|2,0,0]=4 842 B12R1.26 CCC(=O)NCc1cn(nn1)[13CH3] 274090a_200025704644_100000175907 [0,1,0,0,0,1|2,0,0]=4 843 B12R1.26 CCC(=O)NCc1n[nH]c(n1)C 11a_100000752542_100000210414 [0,1,0,0,0,1|2,0,0]=4 844 B12R1.26 CCC(=O)NCc1n[nH]c(n1)C 240690a_100000752542_100000210414 [0,1,0,0,0,1|2,0,0]=4 845 B12R1.26 CCC(=O)NCc1n[nH]c(n1)C 527a_100000752542_100000210414 [0,1,0,0,0,1|2,0,0]=4 846 B12R1.26 CCC(=O)NCc1ncc(o1)C 11a_100138411809_100000210414 [0,1,0,0,0,1|2,0,0]=4 847 B12R1.26 CCC(=O)NCc1ncc(o1)C 1626a_100138411809_100000210414 [0,1,0,0,0,1|2,0,0]=4 848 B12R1.26 CCC(=O)NCc1ncc(o1)C 240690a_100138411809_100000210414 [0,1,0,0,0,1|2,0,0]=4 849 B12R1.26 CCC(=O)NCc1ncc(o1)C 527a_100138411809_100000210414 [0,1,0,0,0,1|2,0,0]=4 850 B12R1.26 CCC(=O)NCc1nnc(o1)C 11a_200000236979_100000210414 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.26 CCC(=O)NCc1nnc(o1)C 240690a_200000236979_100000210414 [0,1,0,0,0,1|2,0,0]=4 852 B12R1.26 CCC(=O)NCc1nnc(o1)C 527a_200000236979_100000210414 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.26 CCC(=O)NCc1noc(n1)C 11a_100000756492_100000210414 [0,1,0,0,0,1|1,0,0]=3 854 B12R1.26 CCC(=O)NCc1noc(n1)C 240690a_100000756492_100000210414 [0,1,0,0,0,1|1,0,0]=3 855 B12R1.26 CCC(=O)NCc1noc(n1)C 527a_100000756492_100000210414 [0,1,0,0,0,1|1,0,0]=3 856 B12R1.26 CCC(=O)NN=C1C=C(CC1)C 4a_100000183195_100000210602 [0,1,0,0,0,1|2,0,0]=4 857 B12R1.26 CCC(=O)NN=C1C=C(OC1)C 4a_100000183195_200009860027 [0,1,0,0,0,1|1,0,0]=3 858 B12R1.26 CCC(C)NCc1cc(on1)C 207a_100000209981_100011217994 [0,1,0,0,0,1|1,0,1]=4 859 B12R1.26 CCC(C)NCc1cc(on1)C 2230a_100000209981_100000199038 [0,1,0,0,0,1|1,0,1]=4 860 B12R1.26 CCC(C)NCc1cc(on1)C 2230a_100000745230_100000758301 [0,1,0,0,0,1|1,0,1]=4 861 B12R1.26 CCC(C)NCc1cc(on1)C 270004a_100000209981_100011217994 [0,1,0,0,0,1|1,0,1]=4 862 B12R1.26 CCC(C)NCc1cc(on1)C 34a_100000745230_100011215416 [0,1,0,0,0,1|1,0,1]=4 863 B12R1.26 CNC(=O)CNc1nnc(o1)C 27a_100000693194_100000708914 [0,1,0,0,0,1|2,0,0]=4 864 B12R1.26 CNC(=O)CNc1nnc(s1)C 27a_100000693194_100000686958 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.26 CNC(=O)CNc1noc(n1)C 27a_100000693194_100012003639 [0,1,0,0,0,1|1,0,0]=3 866 B12R1.26 CNC(=O)CSc1cc([nH]n1)C 62a_100000183359_100009819999 [0,1,0,0,0,1|2,0,0]=4 867 B12R1.26 CNC(=O)CSc1cc([nH]n1)C 62a_100009819999_100000183359 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.26 CNC(=O)CSc1cc(on1)C 62a_100000183359_100000716708 [0,1,0,0,0,1|1,0,0]=3 869 B12R1.26 CNC(=O)CSc1cc(on1)C 62a_100000716708_100000183359 [0,1,0,0,0,1|1,0,0]=3 870 B12R1.26 CNC(=O)CSc1noc(n1)C 62a_100000183359_100012003639 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.26 CNC(=O)CSc1noc(n1)C 62a_100012003639_100000183359 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.26 CNC(=O)NCc1cc(cs1)C 2708a_100015204214_106832991635 [0,1,0,0,0,1|2,0,0]=4 873 B12R1.26 CNC(=O)NCc1cc(cs1)C 2708a_100102657272_100015204214 [0,1,0,0,0,1|2,0,0]=4 874 B12R1.26 CNC(=O)NCc1cc(cs1)C 273464a_100015204214_100102657272 [0,1,0,0,0,1|2,0,0]=4 875 B12R1.26 CNC(=O)NCc1cc(cs1)C 273464a_100102657272_100015204214 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.26 CNC(=O)NCc1cc(cs1)C 512a_100015204214_100102657272 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.26 CNC(=O)NCc1cc(cs1)C 512a_106832991638_100015204214 [0,1,0,0,0,1|2,0,0]=4 878 B12R1.26 CNC(=O)NCc1cc(n[nH]1)C 2708a_100025702664_106832991635 [0,1,0,0,0,1|1,0,1]=4 879 B12R1.26 CNC(=O)NCc1cc(n[nH]1)C 2708a_100102657272_100025702664 [0,1,0,0,0,1|1,0,1]=4 880 B12R1.26 CNC(=O)NCc1cc(n[nH]1)C 273464a_100025702664_100102657272 [0,1,0,0,0,1|1,0,1]=4 881 B12R1.26 CNC(=O)NCc1cc(n[nH]1)C 273464a_100102657272_100025702664 [0,1,0,0,0,1|1,0,1]=4 882 B12R1.26 CNC(=O)NCc1cc(n[nH]1)C 512a_100025702664_100102657272 [0,1,0,0,0,1|1,0,1]=4 883 B12R1.26 CNC(=O)NCc1cc(n[nH]1)C 512a_106832991638_100025702664 [0,1,0,0,0,1|1,0,1]=4 884 B12R1.26 CNC(=O)NCc1cc(no1)C 2708a_100000745748_106832991635 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.26 CNC(=O)NCc1cc(no1)C 2708a_100102657272_100000745748 [0,1,0,0,0,1|2,0,0]=4 886 B12R1.26 CNC(=O)NCc1cc(no1)C 273464a_100000745748_100102657272 [0,1,0,0,0,1|2,0,0]=4 887 B12R1.26 CNC(=O)NCc1cc(no1)C 273464a_100102657272_100000745748 [0,1,0,0,0,1|2,0,0]=4 888 B12R1.26 CNC(=O)NCc1cc(no1)C 512a_100000745748_100102657272 [0,1,0,0,0,1|2,0,0]=4 889 B12R1.26 CNC(=O)NCc1cc(no1)C 512a_106832991638_100000745748 [0,1,0,0,0,1|2,0,0]=4 890 B12R1.26 CNC(=O)NCc1cc(on1)C 2708a_100000745230_106832991635 [0,1,0,0,0,1|0,0,0]=2 891 B12R1.26 CNC(=O)NCc1cc(on1)C 2708a_100102657272_100000745230 [0,1,0,0,0,1|0,0,0]=2 892 B12R1.26 CNC(=O)NCc1cc(on1)C 273464a_100000745230_100102657272 [0,1,0,0,0,1|0,0,0]=2 893 B12R1.26 CNC(=O)NCc1cc(on1)C 273464a_100102657272_100000745230 [0,1,0,0,0,1|0,0,0]=2 894 B12R1.26 CNC(=O)NCc1cc(on1)C 512a_100000745230_100102657272 [0,1,0,0,0,1|0,0,0]=2 895 B12R1.26 CNC(=O)NCc1cc(on1)C 512a_106832991638_100000745230 [0,1,0,0,0,1|0,0,0]=2 896 B12R1.26 CNC(=O)NCc1cn(cn1)C 2708a_100011834058_106832991635 [0,1,0,0,0,1|2,0,0]=4 897 B12R1.26 CNC(=O)NCc1cn(cn1)C 2708a_100102657272_100011834058 [0,1,0,0,0,1|2,0,0]=4 898 B12R1.26 CNC(=O)NCc1cn(cn1)C 273464a_100011834058_100102657272 [0,1,0,0,0,1|2,0,0]=4 899 B12R1.26 CNC(=O)NCc1cn(cn1)C 273464a_100102657272_100011834058 [0,1,0,0,0,1|2,0,0]=4 900 B12R1.26 CNC(=O)NCc1cn(cn1)C 512a_100011834058_100102657272 [0,1,0,0,0,1|2,0,0]=4 901 B12R1.26 CNC(=O)NCc1cn(cn1)C 512a_106832991638_100011834058 [0,1,0,0,0,1|2,0,0]=4 902 B12R1.26 CNC(=O)NCc1n[nH]c(n1)C 2708a_100000752542_106832991635 [0,1,0,0,0,1|2,0,0]=4 903 B12R1.26 CNC(=O)NCc1n[nH]c(n1)C 2708a_100102657272_100000752542 [0,1,0,0,0,1|2,0,0]=4 904 B12R1.26 CNC(=O)NCc1n[nH]c(n1)C 273464a_100000752542_100102657272 [0,1,0,0,0,1|2,0,0]=4 905 B12R1.26 CNC(=O)NCc1n[nH]c(n1)C 273464a_100102657272_100000752542 [0,1,0,0,0,1|2,0,0]=4 906 B12R1.26 CNC(=O)NCc1n[nH]c(n1)C 512a_100000752542_100102657272 [0,1,0,0,0,1|2,0,0]=4 907 B12R1.26 CNC(=O)NCc1n[nH]c(n1)C 512a_106832991638_100000752542 [0,1,0,0,0,1|2,0,0]=4 908 B12R1.26 CNC(=O)NCc1ncc(o1)C 2708a_100102657272_100138411809 [0,1,0,0,0,1|2,0,0]=4 909 B12R1.26 CNC(=O)NCc1ncc(o1)C 2708a_100138411809_106832991635 [0,1,0,0,0,1|2,0,0]=4 910 B12R1.26 CNC(=O)NCc1ncc(o1)C 273464a_100102657272_100138411809 [0,1,0,0,0,1|2,0,0]=4 911 B12R1.26 CNC(=O)NCc1ncc(o1)C 512a_100138411809_100102657272 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.26 CNC(=O)NCc1ncc(o1)C 512a_106832991638_100138411809 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.26 CNC(=O)NCc1nnc(o1)C 2708a_100102657272_200000236979 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.26 CNC(=O)NCc1nnc(o1)C 2708a_200000236979_106832991635 [0,1,0,0,0,1|2,0,0]=4 915 B12R1.26 CNC(=O)NCc1nnc(o1)C 273464a_100102657272_200000236979 [0,1,0,0,0,1|2,0,0]=4 916 B12R1.26 CNC(=O)NCc1nnc(o1)C 273464a_200000236979_100102657272 [0,1,0,0,0,1|2,0,0]=4 917 B12R1.26 CNC(=O)NCc1nnc(o1)C 512a_106832991638_200000236979 [0,1,0,0,0,1|2,0,0]=4 918 B12R1.26 CNC(=O)NCc1nnc(o1)C 512a_200000236979_100102657272 [0,1,0,0,0,1|2,0,0]=4 919 B12R1.26 CNC(=O)NCc1noc(n1)C 2708a_100000756492_106832991635 [0,1,0,0,0,1|1,0,0]=3 920 B12R1.26 CNC(=O)NCc1noc(n1)C 2708a_100102657272_100000756492 [0,1,0,0,0,1|1,0,0]=3 921 B12R1.26 CNC(=O)NCc1noc(n1)C 273464a_100000756492_100102657272 [0,1,0,0,0,1|1,0,0]=3 922 B12R1.26 CNC(=O)NCc1noc(n1)C 273464a_100102657272_100000756492 [0,1,0,0,0,1|1,0,0]=3 923 B12R1.26 CNC(=O)NCc1noc(n1)C 512a_100000756492_100102657272 [0,1,0,0,0,1|1,0,0]=3 924 B12R1.26 CNC(=O)NCc1noc(n1)C 512a_106832991638_100000756492 [0,1,0,0,0,1|1,0,0]=3 925 B12R1.26 COC(=O)CSc1cc([nH]n1)C 62a_100000747449_100009819999 [0,1,0,0,0,1|2,0,0]=4 926 B12R1.26 COC(=O)CSc1cc([nH]n1)C 62a_100009819999_100000747449 [0,1,0,0,0,1|2,0,0]=4 927 B12R1.26 COC(=O)CSc1cc(on1)C 62a_100000716708_100000747449 [0,1,0,0,0,1|1,0,0]=3 928 B12R1.26 COC(=O)CSc1cc(on1)C 62a_100000747449_100000716708 [0,1,0,0,0,1|1,0,0]=3 929 B12R1.26 COC(=O)CSc1noc(n1)C 62a_100000747449_100012003639 [0,1,0,0,0,1|2,0,0]=4 930 B12R1.26 COC(=O)CSc1noc(n1)C 62a_100012003639_100000747449 [0,1,0,0,0,1|2,0,0]=4 931 B12R1.26 Cc1cc([nH]n1)CNC(=O)CO 240690a_100025702664_100000210174 [0,1,0,0,0,1|1,0,1]=4 932 B12R1.26 Cc1cc([nH]n1)CNC(=O)CO 527a_100025702664_100000210174 [0,1,0,0,0,1|1,0,1]=4 933 B12R1.26 Cc1cc(no1)CNC(=O)CO 240690a_100000745230_100000210174 [0,1,0,0,0,1|0,0,0]=2 934 B12R1.26 Cc1cc(no1)CNC(=O)CO 527a_100000745230_100000210174 [0,1,0,0,0,1|0,0,0]=2 935 B12R1.26 Cc1cc(no1)CNC(C)C#N 2230a_100000737613_100000199038 [0,1,0,0,0,1|1,0,1]=4 936 B12R1.26 Cc1cc(no1)CNC(C)C#N 2230a_100000745230_100000184139 [0,1,0,0,0,1|1,0,1]=4 937 B12R1.26 Cc1cc(no1)CNC(C)CO 2230a_100000745230_100012180447 [0,1,0,0,0,1|0,0,2]=4 938 B12R1.26 Cc1cc(no1)CNC(C)CO 34a_100000745230_100012180447 [0,1,0,0,0,1|0,0,2]=4 939 B12R1.26 Cc1cc(no1)CN[C@H](C)CF 207a_100102880703_100011217994 [0,1,0,0,0,1|1,0,1]=4 940 B12R1.26 Cc1cc(no1)CN[C@H](C)CF 270004a_100102880703_100011217994 [0,1,0,0,0,1|1,0,1]=4 941 B12R1.26 Cc1cc(no1)CN[C@H](C)CO 207a_100000737577_100011217994 [0,1,0,0,0,1|0,0,2]=4 942 B12R1.26 Cc1cc(no1)CN[C@H](C)CO 2230a_100000737577_100000199038 [0,1,0,0,0,1|0,0,2]=4 943 B12R1.26 Cc1cc(no1)CN[C@H](C)CO 270004a_100000737577_100011217994 [0,1,0,0,0,1|0,0,2]=4 944 B12R1.26 Cc1cc(on1)CNC(=O)CO 240690a_100000745748_100000210174 [0,1,0,0,0,1|2,0,0]=4 945 B12R1.26 Cc1cc(on1)CNC(=O)CO 527a_100000745748_100000210174 [0,1,0,0,0,1|2,0,0]=4 946 B12R1.26 Cc1cnc(o1)CNC(=O)CO 240690a_100138411809_100000210174 [0,1,0,0,0,1|2,0,0]=4 947 B12R1.26 Cc1cnc(o1)CNC(=O)CO 527a_100138411809_100000210174 [0,1,0,0,0,1|2,0,0]=4 948 B12R1.26 Cc1csc(c1)CNC(=O)CO 240690a_100015204214_100000210174 [0,1,0,0,0,1|2,0,0]=4 949 B12R1.26 Cc1csc(c1)CNC(=O)CO 527a_100015204214_100000210174 [0,1,0,0,0,1|2,0,0]=4 950 B12R1.26 Cc1nc(n[nH]1)CNC(=O)CO 240690a_100000752542_100000210174 [0,1,0,0,0,1|2,0,0]=4 951 B12R1.26 Cc1nc(n[nH]1)CNC(=O)CO 527a_100000752542_100000210174 [0,1,0,0,0,1|2,0,0]=4 952 B12R1.26 Cc1nc(no1)CNC(=O)CO 240690a_100000756492_100000210174 [0,1,0,0,0,1|1,0,0]=3 953 B12R1.26 Cc1nc(no1)CNC(=O)CO 527a_100000756492_100000210174 [0,1,0,0,0,1|1,0,0]=3 954 B12R1.26 Cc1nnc(o1)CNC(=O)CO 240690a_200000236979_100000210174 [0,1,0,0,0,1|2,0,0]=4 955 B12R1.26 Cc1nnc(o1)CNC(=O)CO 527a_200000236979_100000210174 [0,1,0,0,0,1|2,0,0]=4 956 B12R1.26 Cn1cc(nn1)CNC(=O)CN 274090a_200000210301_100000747989 [0,1,0,0,0,1|2,0,0]=4 957 B12R1.26 Cn1cnc(c1)CNC(=O)CO 240690a_100011834058_100000210174 [0,1,0,0,0,1|2,0,0]=4 958 B12R1.26 Cn1cnc(c1)CNC(=O)CO 527a_100011834058_100000210174 [0,1,0,0,0,1|2,0,0]=4 959 B12R1.26 [13CH3]n1cc(nn1)CNC(=O)CN 274090a_200025704644_100000747989 [0,1,0,0,0,1|2,0,0]=4 960 B12R1.59 C=C(C)CNc1noc(n1)CC 27a_100000765925_100012003642 [0,1,0,0,0,1|2,0,0]=4 961 B12R1.59 C=C(C)COc1cc(on1)CC 34a_200009875660_100000748629 [0,1,0,0,0,1|2,0,0]=4 962 B12R1.59 C=C(C)CSc1cc(on1)CN 62a_100000748629_100015193020 [0,1,0,0,0,1|2,0,0]=4 963 B12R1.59 C=C(C)CSc1cc(on1)CN 62a_100015193020_100000211660 [0,1,0,0,0,1|2,0,0]=4 964 B12R1.59 C=C(C)CSc1cc(on1)CO 62a_100000748629_100009816691 [0,1,0,0,0,1|2,0,0]=4 965 B12R1.59 C=C(C)CSc1cc(on1)CO 62a_100009816691_100000211660 [0,1,0,0,0,1|2,0,0]=4 966 B12R1.59 CC(=O)NCc1cn(nn1)CF 274090a_100015361967_100000175883 [0,1,0,0,0,1|2,0,0]=4 967 B12R1.59 CCc1cc(no1)OCC(=O)N 34a_200009875660_100000187820 [0,1,0,0,0,1|2,0,0]=4 968 B12R1.59 CCc1cc(no1)OCC(=O)[O-] 34a_200009875660_100020667443 [0,1,0,0,0,1|2,0,0]=4 969 B12R1.59 CCc1nc(no1)CNC(=O)C 11a_100000216075_100015343762 [0,1,0,0,0,1|1,0,0]=3 970 B12R1.59 CCc1nc(no1)CNC(=O)C 240690a_100000216075_100015343762 [0,1,0,0,0,1|1,0,0]=3 971 B12R1.59 CCc1nc(no1)CNC(=O)C 527a_100000216075_100103153847 [0,1,0,0,0,1|1,0,0]=3 972 B12R1.59 CCn1cc(nn1)CNC(=O)C 274090a_100000204670_100000175883 [0,1,0,0,0,1|2,0,0]=4 973 B12R1.59 COC1=CC(=NNC(=O)C)CC1 4a_100000189765_100000031702 [0,1,0,0,0,1|2,0,0]=4 974 B12R1.59 NC(=O)CSc1cc(on1)CO 62a_100000747473_100009816691 [0,1,0,0,0,1|2,0,0]=4 975 B12R1.59 NC(=O)CSc1cc(on1)CO 62a_100009816691_100000747473 [0,1,0,0,0,1|2,0,0]=4 976 B12R1.59 NCc1cc(no1)SCC(=O)N 62a_100000747473_100015193020 [0,1,0,0,0,1|2,0,0]=4 977 B12R1.59 NCc1cc(no1)SCC(=O)N 62a_100015193020_100000747473 [0,1,0,0,0,1|2,0,0]=4 978 B12R1.59 NCc1cc(no1)SCC(=O)[O-] 62a_100015193020_100020667443 [0,1,0,0,0,1|2,0,0]=4 979 B12R1.59 NCc1cc(no1)SCC(=O)[O-] 62a_100020667443_100015193020 [0,1,0,0,0,1|2,0,0]=4 980 B12R1.59 O=C([O-])CSc1cc(on1)CO 62a_100009816691_100020667443 [0,1,0,0,0,1|2,0,0]=4 981 B12R1.59 O=C([O-])CSc1cc(on1)CO 62a_100020667443_100009816691 [0,1,0,0,0,1|2,0,0]=4 982 B12R1.103 C=C(C)CN(C)c1noc(n1)C 27a_100000225649_100012003639 [0,1,0,0,0,1|2,0,0]=4 983 B12R1.103 CC(=O)NC(C)c1nnc([nH]1)C 11a_100000729279_100015343762 [0,1,0,0,0,1|2,0,0]=4 984 B12R1.103 CC(=O)NC(C)c1nnc([nH]1)C 240690a_100000729279_100015343762 [0,1,0,0,0,1|2,0,0]=4 985 B12R1.103 CC(=O)NC(C)c1nnc([nH]1)C 527a_100000729279_100103153847 [0,1,0,0,0,1|2,0,0]=4 986 B12R1.103 Cc1nc(no1)N(C)CC(=O)N 27a_100000739694_100012003639 [0,1,0,0,0,1|2,0,0]=4 987 B12R1.104 C=C(C)C(=O)Cc1cc(on1)C 1458a_100000185857_100000199038 [0,1,0,0,0,1|2,0,0]=4 988 B12R1.104 CC(=O)C(=O)Nc1cc(on1)C 1458a_100000738669_200000210301 [0,1,0,0,0,1|0,0,0]=2 989 B12R1.104 CC(=O)C(=O)Nc1nnc(s1)C 1458a_200011935048_200000210301 [0,1,0,0,0,1|2,0,0]=4 990 B12R1.104 CC(=O)C(C)Sc1cc([nH]n1)C 62a_100009814033_100009819999 [0,1,0,0,0,1|2,0,0]=4 991 B12R1.104 CC(=O)C(C)Sc1cc([nH]n1)C 62a_100009819999_100009814033 [0,1,0,0,0,1|2,0,0]=4 992 B12R1.104 CC(=O)C(C)Sc1cc(on1)C 62a_100000716708_100009814033 [0,1,0,0,0,1|1,0,0]=3 993 B12R1.104 CC(=O)C(C)Sc1cc(on1)C 62a_100009814033_100000716708 [0,1,0,0,0,1|1,0,0]=3 994 B12R1.104 CC(=O)C(C)Sc1noc(n1)C 62a_100009814033_100012003639 [0,1,0,0,0,1|2,0,0]=4 995 B12R1.104 CC(=O)C(C)Sc1noc(n1)C 62a_100012003639_100009814033 [0,1,0,0,0,1|2,0,0]=4 996 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 11a_100011502060_100015343762 [0,1,0,0,0,1|2,0,0]=4 997 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 1626a_100011502060_100015343762 [0,1,0,0,0,1|2,0,0]=4 998 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 240690a_100011502060_100015343762 [0,1,0,0,0,1|2,0,0]=4 999 B12R1.104 CC(=O)N(C)Cc1cc(cs1)C 527a_100011502060_100103153847 [0,1,0,0,0,1|2,0,0]=4 1000 B12R1.104 CC(=O)N(C)Cc1cc(on1)C 11a_100000225746_100015343762 [0,1,0,0,0,1|0,0,0]=2 1001 B12R1.104 CC(=O)N(C)Cc1cc(on1)C 240690a_100000225746_100015343762 [0,1,0,0,0,1|0,0,0]=2 1002 B12R1.104 CC(=O)N(C)Cc1cc(on1)C 527a_100000225746_100103153847 [0,1,0,0,0,1|0,0,0]=2 1003 B12R1.104 CC(=O)N(C)Cc1nnc(o1)C 11a_100020591465_100015343762 [0,1,0,0,0,1|2,0,0]=4 1004 B12R1.104 CC(=O)N(C)Cc1nnc(o1)C 240690a_100020591465_100015343762 [0,1,0,0,0,1|2,0,0]=4 1005 B12R1.104 CC(=O)N(C)Cc1nnc(o1)C 527a_100020591465_100103153847 [0,1,0,0,0,1|2,0,0]=4 1006 B12R1.104 CC(=O)N(C)Cc1noc(n1)C 11a_100000697600_100015343762 [0,1,0,0,0,1|1,0,0]=3 1007 B12R1.104 CC(=O)N(C)Cc1noc(n1)C 240690a_100000697600_100015343762 [0,1,0,0,0,1|1,0,0]=3 1008 B12R1.104 CC(=O)N(C)Cc1noc(n1)C 527a_100000697600_100103153847 [0,1,0,0,0,1|1,0,0]=3 1009 B12R1.104 Cc1cc(no1)CN(C)C(C)C 2230a_100000225746_100000210206 [0,1,0,0,0,1|1,0,1]=4 1010 B12R1.104 Cc1cc(no1)CN(C)C(C)C 269982a_100000225746_100000210206 [0,1,0,0,0,1|1,0,1]=4 1011 B12R1.104 Cc1cc(no1)CN(C)C(C)C 269982a_200000211004_100000199038 [0,1,0,0,0,1|1,0,1]=4 1012 B12R1.104 Cc1cc(no1)CN(C)C(C)C 270004a_200000211004_100011217994 [0,1,0,0,0,1|1,0,1]=4 1013 B12R1.104 Cc1cc(no1)NC(=O)C(=O)[13CH3] 1458a_100000738669_200025704644 [0,1,0,0,0,1|0,0,0]=2 1014 B12R1.104 Cc1cc(no1)SC(C)C(=O)N 62a_100000702099_100000716708 [0,1,0,0,0,1|2,0,0]=4 1015 B12R1.104 Cc1cc(no1)SC(C)C(=O)N 62a_100000716708_100000702099 [0,1,0,0,0,1|2,0,0]=4 1016 B12R1.104 Cc1cc(no1)SC(F)C(=O)N 62a_100000716708_100009813875 [0,1,0,0,0,1|2,0,0]=4 1017 B12R1.104 Cc1cc(no1)SC(F)C(=O)N 62a_100009813875_100000716708 [0,1,0,0,0,1|2,0,0]=4 1018 B12R1.104 Cc1cc(no1)SC(F)C(=O)[O-] 62a_100000716708_100020610796 [0,1,0,0,0,1|2,0,0]=4 1019 B12R1.104 Cc1cc(no1)SC(F)C(=O)[O-] 62a_100020610796_100000716708 [0,1,0,0,0,1|2,0,0]=4 1020 B12R1.104 Cc1nc(no1)N[C@H](C)C(=O)N 27a_100000119354_100012003639 [0,1,0,0,0,1|2,0,0]=4 1021 B12R1.104 Cc1nnc(s1)NC(=O)C(=O)[13CH3] 1458a_200011935048_200025704644 [0,1,0,0,0,1|2,0,0]=4 1022 B12R1.110 CC(=O)NCc1cc(n(n1)C)C 11a_100025705265_100015343762 [0,1,0,0,0,1|1,0,0]=3 1023 B12R1.110 CC(=O)NCc1cc(n(n1)C)C 240690a_100025705265_100015343762 [0,1,0,0,0,1|1,0,0]=3 1024 B12R1.110 CC(=O)NCc1cc(n(n1)C)C 527a_100025705265_100103153847 [0,1,0,0,0,1|1,0,0]=3 1025 B12R1.110 CC(=O)NNc1nc(c(s1)C)C 22a_100015184946_100000070787 [0,1,0,0,0,1|2,0,0]=4 1026 B12R1.836 Cc1cc(no1)CNC(C)(C)C 207a_100000715429_100011217994 [0,1,0,0,0,1|1,0,1]=4 1027 B12R1.836 Cc1cc(no1)CNC(C)(C)C 2230a_100000715429_100000199038 [0,1,0,0,0,1|1,0,1]=4 1028 B12R1.836 Cc1cc(no1)CNC(C)(C)C 34a_100000745230_100000210625 [0,1,0,0,0,1|1,0,1]=4 1029 B12R1.836 Cc1cc(no1)CNS(=O)(=O)C 40a_100000745230_100000738038 [0,1,0,0,0,1|1,0,0]=3 1030 B12R1.836 Cc1nc(no1)CNS(=O)(=O)C 40a_100000756492_100000738038 [0,1,0,0,0,1|2,0,0]=4 1031 B12R1.861 CC(=O)NCc1cc(nn1C)C 11a_100000238769_100015343762 [0,1,0,0,0,1|1,0,1]=4 1032 B12R1.861 CC(=O)NCc1cc(nn1C)C 240690a_100000238769_100015343762 [0,1,0,0,0,1|1,0,1]=4 1033 B12R1.861 CC(=O)NCc1cc(nn1C)C 527a_100000238769_100103153847 [0,1,0,0,0,1|1,0,1]=4 1034 B12R1.861 CC(=O)NN=C1C=C(OC1C)C 4a_100000189765_100000040871 [0,1,0,0,0,1|1,0,0]=3 1035 B12R1.870 C=C(C)COc1noc(c1Br)C 34a_100010730664_100000748629 [0,1,0,0,0,1|2,0,0]=4 1036 B12R1.870 CC(=O)NN=C1CCC(=C1C)C 4a_100000189765_100000033019 [0,1,0,0,0,1|2,0,0]=4 1037 B12R1.870 CC(=O)NN=C1CCC(=C1O)C 4a_100000189765_100000031406 [0,1,0,0,0,1|2,0,0]=4 1038 B12R1.870 CC(=O)NN=C1COC(=C1O)C 4a_100000189765_100000067015 [0,1,0,0,0,1|1,0,0]=3 1039 B12R1.870 Cc1onc(c1Br)OCC(=O)N 34a_100010730664_100000187820 [0,1,0,0,0,1|2,0,0]=4 1040 B12R1.870 Cc1onc(c1Br)OCC(=O)[O-] 34a_100010730664_100020667443 [0,1,0,0,0,1|2,0,0]=4 1041 B12R1.50 CCC(=O)Cc1cc(ccn1)C 1458a_100000210414_100000718516 [0,1,0,0,0,1|2,0,0]=4 1042 B12R1.50 CCC(=O)Cc1cncc(c1)C 1458a_100000210414_100000716715 [0,1,0,0,0,1|2,0,0]=4 1043 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1044 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1045 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1046 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1047 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,0,1|2,0,0]=4 1048 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,0,1|2,0,0]=4 1049 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,0,0,0,1|2,0,0]=4 1050 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,0,0,0,1|2,0,0]=4 1051 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,1,0,0,0,1|2,0,0]=4 1052 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,1,0,0,0,1|2,0,0]=4 1053 B12R1.101 CC(=O)Cc1cc(cc(n1)C)C 1458a_100000070787_100012357514 [0,1,0,0,0,1|2,0,0]=4 1054 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 11a_100000695972_100015343762 [0,1,0,0,0,1|2,0,0]=4 1055 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 1626a_100000695972_100015343762 [0,1,0,0,0,1|2,0,0]=4 1056 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 22a_100000695972_100000070787 [0,1,0,0,0,1|2,0,0]=4 1057 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 527a_100000695972_100103153847 [0,1,0,0,0,1|2,0,0]=4 1058 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 11a_100000210930_100015343762 [0,1,0,0,0,1|2,0,0]=4 1059 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100015343762 [0,1,0,0,0,1|2,0,0]=4 1060 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000070787 [0,1,0,0,0,1|2,0,0]=4 1061 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 527a_100000210930_100103153847 [0,1,0,0,0,1|2,0,0]=4 1062 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 11a_100012022512_100015343762 [0,1,0,0,0,1|2,0,0]=4 1063 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 1626a_100012022512_100015343762 [0,1,0,0,0,1|2,0,0]=4 1064 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 22a_100012022512_100000070787 [0,1,0,0,0,1|2,0,0]=4 1065 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 11a_100000742734_100015343762 [0,1,0,0,0,1|2,0,0]=4 1066 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 1626a_100000742734_100015343762 [0,1,0,0,0,1|2,0,0]=4 1067 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 22a_100000742734_100000070787 [0,1,0,0,0,1|2,0,0]=4 1068 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 527a_100000742734_100103153847 [0,1,0,0,0,1|2,0,0]=4 1069 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100015343762 [0,1,0,0,0,1|2,0,0]=4 1070 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000070787 [0,1,0,0,0,1|2,0,0]=4 1071 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100103153847 [0,1,0,0,0,1|2,0,0]=4 1072 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,1,0,0,0,1|2,0,0]=4 1073 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,1,0,0,0,1|2,0,0]=4 1074 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 1075 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 1076 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,1,0,0,0,1|2,0,0]=4 1077 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,1,0,0,0,1|2,0,0]=4 1078 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,1,0,0,0,1|2,0,0]=4 1079 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,1,0,0,0,1|2,0,0]=4 1080 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,1,0,0,0,1|2,0,0]=4 1081 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,1,0,0,0,1|2,0,0]=4 1082 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,1,0,0,0,1|2,0,0]=4 1083 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,1,0,0,0,1|2,0,0]=4 1084 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,1,0,0,0,1|2,0,0]=4 1085 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,1,0,0,0,1|2,0,0]=4 1086 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,1,0,0,0,1|2,0,0]=4 1087 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,1,0,0,0,1|2,0,0]=4 1088 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,1,0,0,0,1|2,0,0]=4 1089 B12R1.127 CC(=O)Nc1cc(cnc1C)O 271570a_203496583355_100010117071 [0,1,0,0,0,1|2,0,0]=4 1090 B12R1.224 CC(=O)Nc1cccc(c1Br)C 11a_100000684715_100015343762 [0,1,0,0,0,1|2,0,0]=4 1091 B12R1.224 CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100015343762 [0,1,0,0,0,1|2,0,0]=4 1092 B12R1.224 CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000070787 [0,1,0,0,0,1|2,0,0]=4 1093 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 1094 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 1095 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,1,0,0,0,1|2,0,0]=4 1096 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,1,0,0,0,1|2,0,0]=4 1097 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100015343762 [0,1,0,0,0,1|2,0,0]=4 1098 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100015343762 [0,1,0,0,0,1|2,0,0]=4 1099 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000070787 [0,1,0,0,0,1|2,0,0]=4 1100 B12R1.224 CC(=O)Nc1cccc(c1F)C 11a_100000697159_100015343762 [0,1,0,0,0,1|2,0,0]=4 1101 B12R1.224 CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100015343762 [0,1,0,0,0,1|2,0,0]=4 1102 B12R1.224 CC(=O)Nc1cccc(c1F)C 527a_100000697159_100103153847 [0,1,0,0,0,1|2,0,0]=4 1103 B12R1.224 CC(=O)Nc1cccc(c1I)C 11a_100000761888_100015343762 [0,1,0,0,0,1|2,0,0]=4 1104 B12R1.224 CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100015343762 [0,1,0,0,0,1|2,0,0]=4 1105 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,1,0,0,0,1|2,0,0]=4 1106 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,1,0,0,0,1|2,0,0]=4 1107 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,1,0,0,0,1|2,0,0]=4 1108 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,1,0,0,0,1|2,0,0]=4 1109 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,1,0,0,0,1|2,0,0]=4 1110 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,1,0,0,0,1|2,0,0]=4 1111 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,1,0,0,0,1|2,0,0]=4 1112 B12R1.438 C=Cc1ccnc(c1)NC(=O)C 271570a_100011290941_100012362434 [0,1,0,0,0,1|1,0,1]=4 1113 B12R1.438 C=Cc1cncc(c1)NC(=O)C 271570a_100011290941_100012351681 [0,1,0,0,0,1|1,0,1]=4 1114 B12R1.438 CC(=O)Nc1cc(ccn1)S[13CH3] 62a_200025704644_100012362434 [0,1,0,0,0,1|1,0,0]=3 1115 B12R1.438 CC(=O)Nc1cccc(c1)CF 11a_100000126320_100015343762 [0,1,0,0,0,1|2,0,0]=4 1116 B12R1.438 CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100015343762 [0,1,0,0,0,1|2,0,0]=4 1117 B12R1.438 CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000070787 [0,1,0,0,0,1|2,0,0]=4 1118 B12R1.438 CC(=O)Nc1cccc(c1)CF 527a_100000126320_100103153847 [0,1,0,0,0,1|2,0,0]=4 1119 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [0,1,0,0,0,1|2,0,0]=4 1120 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [0,1,0,0,0,1|2,0,0]=4 1121 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,1,0,0,0,1|2,0,0]=4 1122 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,1,0,0,0,1|2,0,0]=4 1123 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [0,1,0,0,0,1|2,0,0]=4 1124 B12R1.438 CC(=O)Nc1ccnc(c1)S[13CH3] 62a_200025704644_100000238608 [0,1,0,0,0,1|2,0,0]=4 1125 B12R1.438 CC(=O)Nc1cncc(c1)S[13CH3] 62a_200025704644_100012351681 [0,1,0,0,0,1|1,0,0]=3 1126 B12R1.438 CC(=O)Nc1cncc(n1)S[13CH3] 62a_200025704644_100000703374 [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [0,1,0,0,0,1|2,0,0]=4 1128 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [0,1,0,0,0,1|2,0,0]=4 1129 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [0,1,0,0,0,1|2,0,0]=4 1130 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [0,1,0,0,0,1|2,0,0]=4 1131 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [0,1,0,0,0,1|2,0,0]=4 1132 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,1,0,0,0,1|2,0,0]=4 1133 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,1,0,0,0,1|2,0,0]=4 1134 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,1,0,0,0,1|2,0,0]=4 1135 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,1,0,0,0,1|2,0,0]=4 1136 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,1,0,0,0,1|2,0,0]=4 1137 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,1,0,0,0,1|2,0,0]=4 1138 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [0,1,0,0,0,1|2,0,0]=4 1139 B12R1.438 CSc1cc(ccn1)NC(=O)C 62a_200000210301_100000238608 [0,1,0,0,0,1|2,0,0]=4 1140 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [0,1,0,0,0,1|2,0,0]=4 1141 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [0,1,0,0,0,1|2,0,0]=4 1142 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [0,1,0,0,0,1|2,0,0]=4 1143 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [0,1,0,0,0,1|2,0,0]=4 1144 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [0,1,0,0,0,1|2,0,0]=4 1145 B12R1.438 CSc1ccnc(c1)NC(=O)C 62a_200000210301_100012362434 [0,1,0,0,0,1|1,0,0]=3 1146 B12R1.438 CSc1cncc(c1)NC(=O)C 62a_200000210301_100012351681 [0,1,0,0,0,1|1,0,0]=3 1147 B12R1.438 CSc1cncc(n1)NC(=O)C 62a_200000210301_100000703374 [0,1,0,0,0,1|2,0,0]=4 1148 B12R1.31 C#CCC(=O)Cc1cc(on1)C 1458a_100011220946_100000199038 [0,2,0,0,0,0|1,0,0]=3 1149 B12R1.31 C#CCC(=O)Cc1noc(n1)C 1458a_100000105485_100000184674 [0,2,0,0,0,0|2,0,0]=4 1150 B12R1.31 C#CCC(=O)Cc1noc(n1)C 1458a_100011220946_100000231061 [0,2,0,0,0,0|2,0,0]=4 1151 B12R1.31 C=CCC(=O)Cc1cc(on1)C 1458a_100000210193_100000199038 [0,2,0,0,0,0|1,0,0]=3 1152 B12R1.31 C=CCC(=O)Cc1noc(n1)C 1458a_100000105485_100000210623 [0,2,0,0,0,0|2,0,0]=4 1153 B12R1.31 C=CCC(=O)Cc1noc(n1)C 1458a_100000210193_100000231061 [0,2,0,0,0,0|2,0,0]=4 1154 B12R1.31 CC#CC(=O)Cc1cc(on1)C 1458a_100000763181_100000199038 [0,2,0,0,0,0|1,0,0]=3 1155 B12R1.31 CC#CC(=O)Cc1noc(n1)C 1458a_100000763181_100000231061 [0,2,0,0,0,0|2,0,0]=4 1156 B12R1.31 CC=CC(=O)Cc1cc(on1)C 1458a_100000210699_100000199038 [0,2,0,0,0,0|1,0,0]=3 1157 B12R1.31 CC=CC(=O)Cc1noc(n1)C 1458a_100000210699_100000231061 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.31 CCCC(=O)Cc1cc(on1)C 1458a_100000211992_100000199038 [0,2,0,0,0,0|1,0,0]=3 1159 B12R1.31 CCCC(=O)Cc1noc(n1)C 1458a_100000105485_100000210303 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.31 CCCC(=O)Cc1noc(n1)C 1458a_100000211992_100000231061 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.31 CCNC(=O)Cc1noc(n1)C 11a_100015525214_100000105485 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.31 CCNC(=O)Cc1noc(n1)C 240690a_100015525214_100000105485 [0,2,0,0,0,0|2,0,0]=4 1163 B12R1.31 CCNC(=O)Cc1noc(n1)C 270196a_100011206896_100000070787 [0,2,0,0,0,0|2,0,0]=4 1164 B12R1.31 CNCC(=O)Nc1cc(n[nH]1)C 2230a_106832991635_100011204613 [0,2,0,0,0,0|1,0,1]=4 1165 B12R1.31 CNCC(=O)Nc1cc(n[nH]1)C 7a_106832991635_100011204613 [0,2,0,0,0,0|1,0,1]=4 1166 B12R1.31 CNCC(=O)Nc1cc(on1)C 2230a_106832991635_100000183126 [0,2,0,0,0,0|0,0,0]=2 1167 B12R1.31 CNCC(=O)Nc1cc(on1)C 34a_100102657272_100000183126 [0,2,0,0,0,0|0,0,0]=2 1168 B12R1.31 CNCC(=O)Nc1cc(on1)C 7a_106832991635_100000183126 [0,2,0,0,0,0|0,0,0]=2 1169 B12R1.31 CNCC(=O)Nc1nnc(s1)C 2230a_106832991635_100000184977 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.31 CNCC(=O)Nc1nnc(s1)C 7a_106832991635_100000184977 [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.31 CNNC(=O)Cc1noc(n1)C 22a_100016993582_100000105485 [0,2,0,0,0,0|2,0,0]=4 1172 B12R1.31 COCC(=O)Cc1cc(on1)C 1458a_100000210968_100000199038 [0,2,0,0,0,0|1,0,0]=3 1173 B12R1.31 COCC(=O)Cc1noc(n1)C 1458a_100000210968_100000231061 [0,2,0,0,0,0|2,0,0]=4 1174 B12R1.31 COCC(=O)Nc1cc(on1)C 34a_100138415774_100000183126 [0,2,0,0,0,0|0,0,0]=2 1175 B12R1.31 CSCC(=O)Cc1cc(on1)C 1458a_100000184570_100000199038 [0,2,0,0,0,0|1,0,0]=3 1176 B12R1.31 CSCC(=O)Cc1noc(n1)C 1458a_100000184570_100000231061 [0,2,0,0,0,0|2,0,0]=4 1177 B12R1.31 CSCC(=O)Nc1cc(n[nH]1)C 62a_200000210301_100011204613 [0,2,0,0,0,0|1,0,1]=4 1178 B12R1.31 CSCC(=O)Nc1cc(on1)C 62a_200000210301_100000183126 [0,2,0,0,0,0|0,0,0]=2 1179 B12R1.31 CSCC(=O)Nc1nnc(s1)C 62a_200000210301_100000184977 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.31 Cc1cc([nH]n1)NC(=O)CS[13CH3] 62a_200025704644_100011204613 [0,2,0,0,0,0|1,0,1]=4 1181 B12R1.31 Cc1cc(no1)CC(=O)C=CBr 1458a_100016273825_100000199038 [0,2,0,0,0,0|1,0,1]=4 1182 B12R1.31 Cc1cc(no1)CC(=O)C=CCl 1458a_200016279998_100000199038 [0,2,0,0,0,0|1,0,1]=4 1183 B12R1.31 Cc1cc(no1)CC(=O)C=CI 1458a_100016256311_100000199038 [0,2,0,0,0,0|1,0,1]=4 1184 B12R1.31 Cc1cc(no1)CC(=O)CC#N 1458a_100051588842_100000199038 [0,2,0,0,0,0|1,0,0]=3 1185 B12R1.31 Cc1cc(no1)CC(=O)CCO 1458a_100011216618_100000199038 [0,2,0,0,0,0|1,0,0]=3 1186 B12R1.31 Cc1cc(no1)CN(C)CC=O 2230a_100000225746_200015260668 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.31 Cc1cc(no1)CN(C)CC=O 269982a_100000225746_200015260668 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.31 Cc1cc(no1)NC(=O)CS[13CH3] 62a_200025704644_100000183126 [0,2,0,0,0,0|0,0,0]=2 1189 B12R1.31 Cc1nc(no1)CC(=O)CC#N 1458a_100000105485_100011214920 [0,2,0,0,0,0|2,0,0]=4 1190 B12R1.31 Cc1nc(no1)CC(=O)CC#N 1458a_100051588842_100000231061 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.31 Cc1nc(no1)CC(=O)CCF 1458a_100000105485_100011217306 [0,2,0,0,0,0|2,0,0]=4 1192 B12R1.31 Cc1nc(no1)CC(=O)CCO 1458a_100000105485_100000211926 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.31 Cc1nc(no1)CC(=O)CCO 1458a_100011216618_100000231061 [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.31 Cc1nnc(s1)NC(=O)CS[13CH3] 62a_200025704644_100000184977 [0,2,0,0,0,0|2,0,0]=4 1195 B12R1.61 CCC(=O)Cc1noc(n1)CC 1458a_100000210414_100000736014 [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.61 CCC(=O)Cc1noc(n1)CC 270196a_100011245040_100000210414 [0,2,0,0,0,0|2,0,0]=4 1197 B12R1.61 CCC(=O)Cc1noc(n1)CO 270196a_100011245040_100000210174 [0,2,0,0,0,0|2,0,0]=4 1198 B12R1.61 CCc1nc(no1)CC(=O)CO 1458a_100000210174_100000736014 [0,2,0,0,0,0|2,0,0]=4 1199 B12R1.61 CCc1nc(no1)CC(=O)NC 270196a_100000184394_100000210414 [0,2,0,0,0,0|2,0,0]=4 1200 B12R1.61 CNC(=O)Cc1noc(n1)CO 270196a_100000184394_100000210174 [0,2,0,0,0,0|2,0,0]=4 1201 B12R1.533 CCC(=O)Cc1cc(n(n1)C)C 1458a_100000210414_100000761402 [0,2,0,0,0,0|2,0,0]=4 1202 B12R1.533 Cc1cc(nn1C)CC(=O)CO 1458a_100000210174_100000761402 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.66 CC(=O)Nc1nc(c(s1)S[13CH3])C 62a_200025704644_200010003082 [0,2,0,0,0,0|2,0,0]=4 1204 B12R1.66 CSc1sc(nc1C)NC(=O)C 62a_200000210301_200010003082 [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.182 C#CCc1nc(no1)CC(=O)C 270196a_100011229364_100011220946 [0,2,0,0,0,0|2,0,0]=4 1206 B12R1.182 CC(=O)Cc1noc(n1)CCO 270196a_100011229364_100011216618 [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.182 CC(=O)Nc1ncc(s1)SCF 62a_100015361967_100000050200 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.182 CC(=O)Nc1nnc(s1)SCF 62a_100015361967_200010004617 [0,2,0,0,0,0|2,0,0]=4 1209 B12R1.182 CC=Cc1cnc(s1)NC(=O)C 271570a_100016259895_100000050200 [0,2,0,0,0,0|2,0,0]=4 1210 B12R1.182 CC=Cc1nc(no1)CC(=O)C 270196a_100011229364_100000210699 [0,2,0,0,0,0|2,0,0]=4 1211 B12R1.182 CC=Cc1nnc(s1)NC(=O)C 271570a_100016259895_200010004617 [0,2,0,0,0,0|2,0,0]=4 1212 B12R1.182 CCCc1nc(no1)CC(=O)C 1458a_100000070787_100000736220 [0,2,0,0,0,0|2,0,0]=4 1213 B12R1.182 CCCc1nc(no1)CC(=O)C 270196a_100011229364_100000211992 [0,2,0,0,0,0|2,0,0]=4 1214 B12R1.182 CCSc1cnc(s1)NC(=O)C 62a_100000210202_100000050200 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.182 CCSc1nnc(s1)NC(=O)C 62a_100000210202_200010004617 [0,2,0,0,0,0|2,0,0]=4 1216 B12R1.182 COCc1nc(no1)CC(=O)C 270196a_100011229364_100000210968 [0,2,0,0,0,0|2,0,0]=4 1217 B12R1.182 CSCc1nc(no1)CC(=O)C 270196a_100011229364_100000184570 [0,2,0,0,0,0|2,0,0]=4 1218 B12R1.389 C=C(C)c1cnc(s1)NC(=O)C 271570a_100000694244_100000050200 [0,2,0,0,0,0|2,0,0]=4 1219 B12R1.389 C=C(C)c1nnc(s1)NC(=O)C 271570a_100000694244_200010004617 [0,2,0,0,0,0|2,0,0]=4 1220 B12R1.389 CC(=O)Cc1cc(on1)C(C)C 1458a_100000070787_100012000507 [0,2,0,0,0,0|1,0,0]=3 1221 B12R1.389 CC(=O)Cc1noc(n1)C(C)C 1458a_100000070787_100000744480 [0,2,0,0,0,0|2,0,0]=4 1222 B12R1.389 CC(=O)Cc1noc(n1)C(C)C 270196a_100011229364_100000210198 [0,2,0,0,0,0|2,0,0]=4 1223 B12R1.389 CC(=O)Cc1noc(n1)C(C)F 270196a_100011229364_100000062450 [0,2,0,0,0,0|2,0,0]=4 1224 B12R1.389 CC(=O)Cc1noc(n1)C(F)F 270196a_100011229364_100000210393 [0,2,0,0,0,0|2,0,0]=4 1225 B12R1.389 CC(=O)Cc1noc(n1)C(O)O 270196a_100011229364_100000233687 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.389 CC(=O)Cc1noc(n1)[C@@H](C)O 270196a_100011229364_100000717761 [0,2,0,0,0,0|2,0,0]=4 1227 B12R1.389 CC(=O)Cc1noc(n1)[C@H](C)O 270196a_100011229364_217856618621 [0,2,0,0,0,0|2,0,0]=4 1228 B12R1.816 CC(=O)C(C)c1noc(n1)CO 270196a_100000741742_100000210174 [0,2,0,0,0,0|2,0,0]=4 1229 B12R1.816 CCc1nc(no1)C(C)C(=O)C 270196a_100000741742_100000210414 [0,2,0,0,0,0|2,0,0]=4 1230 B12R1.838 CC(=O)C(C)(C)c1noc(n1)C 270196a_100012040136_100000070787 [0,2,0,0,0,0|2,0,0]=4 1231 B12R2.606 O=C1Cc2cc(cnc2N1)O 271570a_203496583355_100010177629 [0,0,0,1,0,1|2,0,0]=4 1232 B12R2.76 Cc1nc(no1)C2CC(=O)C2 270196a_100000077199_100000070787 [0,0,0,1,0,1|2,0,0]=4 1233 B12R2.2298 Cc1cc(no1)CNC2CC2 34a_100000212008_100000199038 [0,0,0,1,0,1|1,0,1]=4 1234 B12R2.2298 Cc1cc(no1)CNC2CC2 34a_100000745230_100000211595 [0,0,0,1,0,1|1,0,1]=4 1235 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [0,0,0,1,0,1|2,0,0]=4 1236 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,0,1,0,1,0|2,0,0]=4 1237 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,0,1,0,1,0|2,0,0]=4 1238 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [1,0,0,0,1,0|2,0,0]=4 1239 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,1,0|2,0,0]=4 1240 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [1,0,0,0,1,0|1,1,0]=4 1241 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,0,1,0|1,0,1]=4 1242 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,0,1,0|1,0,1]=4 1243 B10R0.27 CC=CC(=NNC(=O)C)CC 4a_100000189765_100102568992 [0,0,1,0,0,1|2,0,0]=4 1244 B10R0.97 C=C(C)COCCNC(=O)C 34a_100000158858_100000748629 [0,0,1,0,0,1|1,0,1]=4 1245 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,0,0,0,0,1|2,0,0]=4 1246 B10R1.1 CC=Cc1ccc(nn1)C 271570a_100016259895_100011450037 [1,0,0,0,0,1|2,0,0]=4 1247 B10R1.1 CC=Cc1cnc(cn1)C 271570a_100016259895_100011999403 [1,0,0,0,0,1|2,0,0]=4 1248 B10R1.1 CC=Cc1ncc(cn1)C 271570a_100016259895_100011825175 [1,0,0,0,0,1|2,0,0]=4 1249 B10R1.1 CCNc1ccc(nn1)C 27a_100015525214_100000744512 [1,0,0,0,0,1|1,0,1]=4 1250 B10R1.1 CCNc1cnc(cn1)C 27a_100015525214_100000074397 [1,0,0,0,0,1|1,0,1]=4 1251 B10R1.1 CCNc1ncc(cn1)C 27a_100015525214_100000061069 [1,0,0,0,0,1|1,0,1]=4 1252 B10R1.66 C=C(C)CSc1ccon1 62a_100000748629_100009818083 [1,0,0,0,0,1|2,0,0]=4 1253 B10R1.66 C=C(C)CSc1ccon1 62a_100009818083_100000211660 [1,0,0,0,0,1|2,0,0]=4 1254 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [1,0,0,0,0,1|2,0,0]=4 1255 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [1,0,0,0,0,1|2,0,0]=4 1256 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [1,0,0,0,0,1|2,0,0]=4 1257 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [1,0,0,0,0,1|2,0,0]=4 1258 B10R1.66 CC(=O)NCc1c[nH]nn1 11a_100020620823_100015343762 [1,0,0,0,0,1|2,0,0]=4 1259 B10R1.66 CC(=O)NCc1c[nH]nn1 240690a_100020620823_100015343762 [1,0,0,0,0,1|2,0,0]=4 1260 B10R1.66 CC(=O)NCc1c[nH]nn1 527a_100020620823_100103153847 [1,0,0,0,0,1|2,0,0]=4 1261 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [1,0,0,0,0,1|1,0,0]=3 1262 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [1,0,0,0,0,1|1,0,0]=3 1263 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [1,0,0,0,0,1|1,0,0]=3 1264 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [1,0,0,0,0,1|1,0,1]=4 1265 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [1,0,0,0,0,1|1,0,1]=4 1266 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [1,0,0,0,0,1|1,0,1]=4 1267 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [1,0,0,0,0,1|2,0,0]=4 1268 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [1,0,0,0,0,1|2,0,0]=4 1269 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [1,0,0,0,0,1|2,0,0]=4 1270 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [1,0,0,0,0,1|2,0,0]=4 1271 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [1,0,0,0,0,1|2,0,0]=4 1272 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [1,0,0,0,0,1|2,0,0]=4 1273 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [1,0,0,0,0,1|2,0,0]=4 1274 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [1,0,0,0,0,1|2,0,0]=4 1275 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [1,0,0,0,0,1|1,0,0]=3 1276 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [1,0,0,0,0,1|1,0,0]=3 1277 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [1,0,0,0,0,1|1,0,0]=3 1278 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [1,0,0,0,0,1|1,0,0]=3 1279 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [1,0,0,0,0,1|0,0,0]=2 1280 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [1,0,0,0,0,1|0,0,0]=2 1281 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [1,0,0,0,0,1|0,0,0]=2 1282 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [1,0,0,0,0,1|1,1,0]=4 1283 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [1,0,0,0,0,1|1,1,0]=4 1284 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [1,0,0,0,0,1|1,1,0]=4 1285 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [1,0,0,0,0,1|1,1,0]=4 1286 B10R1.66 CC(=O)NCc1cnoc1 11a_100016995009_100015343762 [1,0,0,0,0,1|2,0,0]=4 1287 B10R1.66 CC(=O)NCc1cnoc1 240690a_100016995009_100015343762 [1,0,0,0,0,1|2,0,0]=4 1288 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [1,0,0,0,0,1|2,0,0]=4 1289 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [1,0,0,0,0,1|2,0,0]=4 1290 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [1,0,0,0,0,1|2,0,0]=4 1291 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [1,0,0,0,0,1|2,0,0]=4 1292 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [1,0,0,0,0,1|2,0,0]=4 1293 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [1,0,0,0,0,1|2,0,0]=4 1294 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [1,0,0,0,0,1|2,0,0]=4 1295 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [1,0,0,0,0,1|2,0,0]=4 1296 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [1,0,0,0,0,1|2,0,0]=4 1297 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [1,0,0,0,0,1|2,0,0]=4 1298 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [1,0,0,0,0,1|2,0,0]=4 1299 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [1,0,0,0,0,1|2,0,0]=4 1300 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [1,0,0,0,0,1|2,0,0]=4 1301 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [1,0,0,0,0,1|2,0,0]=4 1302 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [1,0,0,0,0,1|2,0,0]=4 1303 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [1,0,0,0,0,1|2,0,0]=4 1304 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [1,0,0,0,0,1|2,0,0]=4 1305 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [1,0,0,0,0,1|2,0,0]=4 1306 B10R1.66 CC(=O)NCc1nnc[nH]1 11a_200015183720_100015343762 [1,0,0,0,0,1|2,0,0]=4 1307 B10R1.66 CC(=O)NCc1nnc[nH]1 240690a_200015183720_100015343762 [1,0,0,0,0,1|2,0,0]=4 1308 B10R1.66 CC(=O)NCc1nnc[nH]1 527a_200015183720_100103153847 [1,0,0,0,0,1|2,0,0]=4 1309 B10R1.66 CC(=O)NN=C1C=CCC1 4a_100000189765_100000239507 [1,0,0,0,0,1|2,0,0]=4 1310 B10R1.66 CC(=O)NNc1nccs1 22a_100011198208_100000070787 [1,0,0,0,0,1|2,0,0]=4 1311 B10R1.66 CC(C)NCc1ccon1 2230a_100138425928_100000234950 [1,0,0,0,0,1|1,0,1]=4 1312 B10R1.66 CC(C)NCc1ccon1 34a_100138425928_100000234950 [1,0,0,0,0,1|1,0,1]=4 1313 B10R1.66 NC(=O)CSc1ccon1 62a_100000747473_100009818083 [1,0,0,0,0,1|2,0,0]=4 1314 B10R1.66 NC(=O)CSc1ccon1 62a_100009818083_100000747473 [1,0,0,0,0,1|2,0,0]=4 1315 B10R1.66 O=C([O-])CSc1ccon1 62a_100009818083_100020667443 [1,0,0,0,0,1|2,0,0]=4 1316 B10R1.66 O=C([O-])CSc1ccon1 62a_100020667443_100009818083 [1,0,0,0,0,1|2,0,0]=4 1317 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [1,0,0,0,0,1|2,0,0]=4 1318 B12R1.21 C=C(C)CNc1ccc(nn1)C 27a_100000765925_100000744512 [0,0,0,0,0,2|2,0,0]=4 1319 B12R1.21 C=C(C)CNc1cnc(cn1)C 27a_100000765925_100000074397 [0,0,0,0,0,2|2,0,0]=4 1320 B12R1.21 C=C(C)CNc1ncc(cn1)C 27a_100000765925_100000061069 [0,0,0,0,0,2|2,0,0]=4 1321 B12R1.21 CC(=O)NCc1ccc(cc1)C 11a_100000174908_100015343762 [0,0,0,0,0,2|2,0,0]=4 1322 B12R1.21 CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100015343762 [0,0,0,0,0,2|2,0,0]=4 1323 B12R1.21 CC(=O)NCc1ccc(cc1)C 240690a_100000174908_100015343762 [0,0,0,0,0,2|2,0,0]=4 1324 B12R1.21 CC(=O)NCc1ccc(cc1)C 527a_100000174908_100103153847 [0,0,0,0,0,2|2,0,0]=4 1325 B12R1.21 CC(=O)NCc1ccc(cn1)Br 11a_100015188789_100015343762 [0,0,0,0,0,2|2,0,0]=4 1326 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1626a_100015188789_100015343762 [0,0,0,0,0,2|2,0,0]=4 1327 B12R1.21 CC(=O)NCc1ccc(cn1)Br 240690a_100015188789_100015343762 [0,0,0,0,0,2|2,0,0]=4 1328 B12R1.21 CC(=O)NCc1ccc(cn1)Br 527a_100015188789_100103153847 [0,0,0,0,0,2|2,0,0]=4 1329 B12R1.21 CC(=O)NCc1ccc(cn1)C 11a_100015187455_100015343762 [0,0,0,0,0,2|1,0,0]=3 1330 B12R1.21 CC(=O)NCc1ccc(cn1)C 1626a_100015187455_100015343762 [0,0,0,0,0,2|1,0,0]=3 1331 B12R1.21 CC(=O)NCc1ccc(cn1)C 240690a_100015187455_100015343762 [0,0,0,0,0,2|1,0,0]=3 1332 B12R1.21 CC(=O)NCc1ccc(cn1)C 527a_100015187455_100103153847 [0,0,0,0,0,2|1,0,0]=3 1333 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 11a_100000697193_100015343762 [0,0,0,0,0,2|2,0,0]=4 1334 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 1626a_100000697193_100015343762 [0,0,0,0,0,2|2,0,0]=4 1335 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 240690a_100000697193_100015343762 [0,0,0,0,0,2|2,0,0]=4 1336 B12R1.21 CC(=O)NCc1ccc(cn1)Cl 527a_100000697193_100103153847 [0,0,0,0,0,2|2,0,0]=4 1337 B12R1.21 CC(=O)NCc1ccc(cn1)F 11a_100020620131_100015343762 [0,0,0,0,0,2|2,0,0]=4 1338 B12R1.21 CC(=O)NCc1ccc(cn1)F 1626a_100020620131_100015343762 [0,0,0,0,0,2|2,0,0]=4 1339 B12R1.21 CC(=O)NCc1ccc(cn1)F 240690a_100020620131_100015343762 [0,0,0,0,0,2|2,0,0]=4 1340 B12R1.21 CC(=O)NCc1ccc(cn1)F 527a_100020620131_100103153847 [0,0,0,0,0,2|2,0,0]=4 1341 B12R1.21 CC(=O)NCc1ccc(cn1)O 240690a_100020605196_100015343762 [0,0,0,0,0,2|2,0,0]=4 1342 B12R1.21 CC(=O)NCc1ccc(nc1)C 11a_100000740942_100015343762 [0,0,0,0,0,2|2,0,0]=4 1343 B12R1.21 CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100015343762 [0,0,0,0,0,2|2,0,0]=4 1344 B12R1.21 CC(=O)NCc1ccc(nc1)C 240690a_100000740942_100015343762 [0,0,0,0,0,2|2,0,0]=4 1345 B12R1.21 CC(=O)NCc1ccc(nc1)C 527a_100000740942_100103153847 [0,0,0,0,0,2|2,0,0]=4 1346 B12R1.21 CC(=O)NCc1cnc(cn1)C 11a_100132314150_100015343762 [0,0,0,0,0,2|1,0,0]=3 1347 B12R1.21 CC(=O)NCc1cnc(cn1)C 240690a_100132314150_100015343762 [0,0,0,0,0,2|1,0,0]=3 1348 B12R1.21 CC(=O)NCc1cnc(cn1)C 527a_100132314150_100103153847 [0,0,0,0,0,2|1,0,0]=3 1349 B12R1.21 CC(=O)NCc1ncc(cn1)Br 11a_200016993442_100015343762 [0,0,0,0,0,2|2,0,0]=4 1350 B12R1.21 CC(=O)NCc1ncc(cn1)Br 240690a_200016993442_100015343762 [0,0,0,0,0,2|2,0,0]=4 1351 B12R1.21 CC(=O)NCc1ncc(cn1)Br 527a_200016993442_100103153847 [0,0,0,0,0,2|2,0,0]=4 1352 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 11a_200015186297_100015343762 [0,0,0,0,0,2|2,0,0]=4 1353 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 1626a_200015186297_100015343762 [0,0,0,0,0,2|2,0,0]=4 1354 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 240690a_200015186297_100015343762 [0,0,0,0,0,2|2,0,0]=4 1355 B12R1.21 CC(=O)NCc1ncc(cn1)Cl 527a_200015186297_100103153847 [0,0,0,0,0,2|2,0,0]=4 1356 B12R1.21 CC(=O)NNc1ccc(cc1)C 22a_100000683527_100000070787 [0,0,0,0,0,2|2,0,0]=4 1357 B12R1.21 CC(=O)NNc1ccc(cn1)Br 22a_100000750576_100000070787 [0,0,0,0,0,2|2,0,0]=4 1358 B12R1.21 CC(=O)NNc1ccc(cn1)C 22a_100000746693_100000070787 [0,0,0,0,0,2|1,0,0]=3 1359 B12R1.21 CC(=O)NNc1ccc(cn1)Cl 22a_100011206499_100000070787 [0,0,0,0,0,2|2,0,0]=4 1360 B12R1.21 CC(=O)NNc1ccc(cn1)F 22a_100000753838_100000070787 [0,0,0,0,0,2|2,0,0]=4 1361 B12R1.21 CC(=O)NNc1ccc(cn1)I 22a_100010221006_100000070787 [0,0,0,0,0,2|2,0,0]=4 1362 B12R1.21 CC(=O)NNc1ccc(cn1)O 271570a_203496583355_200010175596 [0,0,0,0,0,2|2,0,0]=4 1363 B12R1.21 CC(=O)NNc1ccc(nc1)C 22a_100020639869_100000070787 [0,0,0,0,0,2|2,0,0]=4 1364 B12R1.21 CC(=O)NNc1ccc(nn1)Br 22a_100102525236_100000070787 [0,0,0,0,0,2|2,0,0]=4 1365 B12R1.21 CC(=O)NNc1ccc(nn1)C 22a_100000747182_100000070787 [0,0,0,0,0,2|1,0,0]=3 1366 B12R1.21 CC(=O)NNc1ccc(nn1)Cl 22a_100000182438_100000070787 [0,0,0,0,0,2|2,0,0]=4 1367 B12R1.21 CC(=O)NNc1cnc(cn1)Cl 22a_100000121042_100000070787 [0,0,0,0,0,2|2,0,0]=4 1368 B12R1.21 CC(=O)NNc1ncc(cn1)Br 22a_100011203108_100000070787 [0,0,0,0,0,2|2,0,0]=4 1369 B12R1.21 CC(=O)NNc1ncc(cn1)C 22a_100011824989_100000070787 [0,0,0,0,0,2|1,0,0]=3 1370 B12R1.21 CC(=O)NNc1ncc(cn1)Cl 22a_100012000172_100000070787 [0,0,0,0,0,2|2,0,0]=4 1371 B12R1.21 CC(=O)NNc1ncc(cn1)I 22a_100012357424_100000070787 [0,0,0,0,0,2|2,0,0]=4 1372 B12R1.105 C=C(C)CCSc1cc(on1)C 62a_100000716708_100000730704 [0,0,0,0,0,2|2,0,0]=4 1373 B12R1.105 C=C(C)CCSc1cc(on1)C 62a_100000730704_100000716708 [0,0,0,0,0,2|2,0,0]=4 1374 B12R1.105 C=C(C)CNCc1cc(on1)C 2230a_100000745230_100000748629 [0,0,0,0,0,2|1,0,0]=3 1375 B12R1.105 C=C(C)CNCc1cc(on1)C 34a_100000745230_100000748629 [0,0,0,0,0,2|1,0,0]=3 1376 B12R1.105 C=C(C)COCc1cc(on1)C 34a_100000210245_100000199038 [0,0,0,0,0,2|2,0,0]=4 1377 B12R1.105 C=C(C)COCc1cc(on1)C 34a_100011216401_100000748629 [0,0,0,0,0,2|2,0,0]=4 1378 B12R1.105 C=C(C)CSCc1cc(on1)C 62a_100000199038_100000211660 [0,0,0,0,0,2|2,0,0]=4 1379 B12R1.105 C=C(C)CSCc1cc(on1)C 62a_100000748629_100000199038 [0,0,0,0,0,2|2,0,0]=4 1380 B12R1.105 C=C(F)CNCc1cc(on1)C 2230a_100000745230_100009893438 [0,0,0,0,0,2|1,0,1]=4 1381 B12R1.105 C=C(F)CNCc1cc(on1)C 34a_100000745230_100009893438 [0,0,0,0,0,2|1,0,1]=4 1382 B12R1.105 CC(=CCNc1noc(n1)C)C 27a_100000718196_100012003639 [0,0,0,0,0,2|2,0,0]=4 1383 B12R1.105 CC(=CCSc1cc(on1)C)C 62a_100000716708_100000761012 [0,0,0,0,0,2|2,0,0]=4 1384 B12R1.105 CC(=CCSc1cc(on1)C)C 62a_100000761012_100000716708 [0,0,0,0,0,2|2,0,0]=4 1385 B12R1.105 CC(=O)CCCc1noc(n1)C 270196a_200000032708_100000070787 [0,0,0,0,0,2|2,0,0]=4 1386 B12R1.105 CC(=O)CCSc1cc([nH]n1)C 62a_100000053229_100009819999 [0,0,0,0,0,2|2,0,0]=4 1387 B12R1.105 CC(=O)CCSc1cc([nH]n1)C 62a_100009819999_100000053229 [0,0,0,0,0,2|2,0,0]=4 1388 B12R1.105 CC(=O)CCSc1cc(on1)C 62a_100000053229_100000716708 [0,0,0,0,0,2|1,0,0]=3 1389 B12R1.105 CC(=O)CCSc1cc(on1)C 62a_100000716708_100000053229 [0,0,0,0,0,2|1,0,0]=3 1390 B12R1.105 CC(=O)CCSc1noc(n1)C 62a_100000053229_100012003639 [0,0,0,0,0,2|2,0,0]=4 1391 B12R1.105 CC(=O)CCSc1noc(n1)C 62a_100012003639_100000053229 [0,0,0,0,0,2|2,0,0]=4 1392 B12R1.105 CC(=O)COCc1cc(on1)C 34a_100000211253_100000199038 [0,0,0,0,0,2|1,0,0]=3 1393 B12R1.105 CC(=O)COCc1noc(n1)C 34a_100000211253_100000231061 [0,0,0,0,0,2|2,0,0]=4 1394 B12R1.105 CC(=O)NCCc1cn(cn1)C 11a_106430523030_100015343762 [0,0,0,0,0,2|2,0,0]=4 1395 B12R1.105 CC(=O)NCCc1cn(cn1)C 1626a_106430523030_100015343762 [0,0,0,0,0,2|2,0,0]=4 1396 B12R1.105 CC(=O)NCCc1cn(cn1)C 240690a_106430523030_100015343762 [0,0,0,0,0,2|2,0,0]=4 1397 B12R1.105 CC(=O)NCCc1cn(cn1)C 527a_106430523030_100103153847 [0,0,0,0,0,2|2,0,0]=4 1398 B12R1.105 CC(=O)NCCc1nnc(s1)C 11a_100000733084_100015343762 [0,0,0,0,0,2|2,0,0]=4 1399 B12R1.105 CC(=O)NCCc1nnc(s1)C 1626a_100000733084_100015343762 [0,0,0,0,0,2|2,0,0]=4 1400 B12R1.105 CC(=O)NCCc1nnc(s1)C 240690a_100000733084_100015343762 [0,0,0,0,0,2|2,0,0]=4 1401 B12R1.105 CC(=O)NCCc1nnc(s1)C 527a_100000733084_100103153847 [0,0,0,0,0,2|2,0,0]=4 1402 B12R1.105 CC(=O)NCCn1cc(nn1)C 274090a_100000189650_200000242740 [0,0,0,0,0,2|2,0,0]=4 1403 B12R1.105 CC(=O)NN=Cc1cc(cs1)C 4a_100000189765_100102525248 [0,0,0,0,0,2|2,0,0]=4 1404 B12R1.105 CC(=O)NN=Cc1cc(n[nH]1)C 4a_100000189765_100000028150 [0,0,0,0,0,2|1,0,1]=4 1405 B12R1.105 CC(=O)NN=Cc1cc(no1)C 4a_100000189765_100011794430 [0,0,0,0,0,2|2,0,0]=4 1406 B12R1.105 CC(=O)NN=Cc1cc(on1)C 4a_100000189765_100011217994 [0,0,0,0,0,2|0,0,0]=2 1407 B12R1.105 CC(=O)NN=Cc1cc(sn1)C 4a_100000189765_200000100279 [0,0,0,0,0,2|0,1,0]=3 1408 B12R1.105 CC(=O)NN=Cc1cn(cn1)C 4a_100000189765_100000684808 [0,0,0,0,0,2|2,0,0]=4 1409 B12R1.105 CC(=O)NN=Cc1cn(nn1)C 4a_100000189765_100000749909 [0,0,0,0,0,2|2,0,0]=4 1410 B12R1.105 CC(=O)NN=Cc1coc(n1)C 4a_100000189765_100011361629 [0,0,0,0,0,2|2,0,0]=4 1411 B12R1.105 CC(=O)NN=Cc1csc(c1)C 4a_100000189765_100011998532 [0,0,0,0,0,2|1,1,0]=4 1412 B12R1.105 CC(=O)NN=Cc1ncc(s1)C 4a_100000189765_100011361622 [0,0,0,0,0,2|2,0,0]=4 1413 B12R1.105 CC(=O)OCSc1cc([nH]n1)C 62a_100000076356_100009819999 [0,0,0,0,0,2|2,0,0]=4 1414 B12R1.105 CC(=O)OCSc1cc([nH]n1)C 62a_100009819999_100000076356 [0,0,0,0,0,2|2,0,0]=4 1415 B12R1.105 CC(=O)OCSc1cc(on1)C 62a_100000076356_100000716708 [0,0,0,0,0,2|1,0,0]=3 1416 B12R1.105 CC(=O)OCSc1cc(on1)C 62a_100000716708_100000076356 [0,0,0,0,0,2|1,0,0]=3 1417 B12R1.105 CC(=O)OCSc1noc(n1)C 62a_100000076356_100012003639 [0,0,0,0,0,2|2,0,0]=4 1418 B12R1.105 CC(=O)OCSc1noc(n1)C 62a_100012003639_100000076356 [0,0,0,0,0,2|2,0,0]=4 1419 B12R1.105 Cc1cc(no1)C=NNC(C)C 4a_100000741168_100011217994 [0,0,0,0,0,2|1,0,1]=4 1420 B12R1.105 Cc1cc(no1)CNCC(=O)N 2230a_100000711301_100000199038 [0,0,0,0,0,2|1,0,0]=3 1421 B12R1.105 Cc1cc(no1)CNCC(=O)N 2230a_100000745230_100000747473 [0,0,0,0,0,2|1,0,0]=3 1422 B12R1.105 Cc1cc(no1)CNCC(=O)N 34a_100000745230_100000187820 [0,0,0,0,0,2|1,0,0]=3 1423 B12R1.105 Cc1cc(no1)CNCC(=O)O 269956a_100016091260_100000199038 [0,0,0,0,0,2|1,0,0]=3 1424 B12R1.105 Cc1cc(no1)CNCC(=O)[O-] 34a_100000745230_100020667443 [0,0,0,0,0,2|1,0,0]=3 1425 B12R1.105 Cc1cc(no1)CNCC(C)C 207a_100000210953_100011217994 [0,0,0,0,0,2|1,0,1]=4 1426 B12R1.105 Cc1cc(no1)CNCC(C)C 2230a_100000210953_100000199038 [0,0,0,0,0,2|1,0,1]=4 1427 B12R1.105 Cc1cc(no1)CNCC(C)C 2230a_100000745230_100000210760 [0,0,0,0,0,2|1,0,1]=4 1428 B12R1.105 Cc1cc(no1)CNCC(C)C 270004a_100000210953_100011217994 [0,0,0,0,0,2|1,0,1]=4 1429 B12R1.105 Cc1cc(no1)CNCC(C)C 270004a_100000745230_100000210432 [0,0,0,0,0,2|1,0,1]=4 1430 B12R1.105 Cc1cc(no1)CNCC(C)C 34a_100000210953_100000199038 [0,0,0,0,0,2|1,0,1]=4 1431 B12R1.105 Cc1cc(no1)CNCC(C)C 34a_100000745230_100000210624 [0,0,0,0,0,2|1,0,1]=4 1432 B12R1.105 Cc1cc(no1)CNCC(C)O 207a_100000210904_100011217994 [0,0,0,0,0,2|0,0,2]=4 1433 B12R1.105 Cc1cc(no1)CNCC(C)O 2230a_100000210904_100000199038 [0,0,0,0,0,2|0,0,2]=4 1434 B12R1.105 Cc1cc(no1)CNCC(C)O 2230a_100000745230_100011218427 [0,0,0,0,0,2|0,0,2]=4 1435 B12R1.105 Cc1cc(no1)CNCC(C)O 270004a_100000210904_100011217994 [0,0,0,0,0,2|0,0,2]=4 1436 B12R1.105 Cc1cc(no1)CNCC(C)O 34a_100000210904_100000199038 [0,0,0,0,0,2|0,0,2]=4 1437 B12R1.105 Cc1cc(no1)CNCC(C)O 34a_100000745230_100011218427 [0,0,0,0,0,2|0,0,2]=4 1438 B12R1.105 Cc1cc(no1)CNC[C@@H](C)O 2230a_100000745230_100009817552 [0,0,0,0,0,2|0,0,2]=4 1439 B12R1.105 Cc1cc(no1)CNC[C@@H](C)O 34a_100000745230_100009817552 [0,0,0,0,0,2|0,0,2]=4 1440 B12R1.105 Cc1cc(no1)CNC[N+](=O)[O-] 34a_100000745230_100000761209 [0,0,0,0,0,2|2,0,0]=4 1441 B12R1.105 Cc1cc(no1)COCC(=O)N 34a_100011216401_100000187820 [0,0,0,0,0,2|2,0,0]=4 1442 B12R1.105 Cc1cc(no1)COCC(=O)[O-] 34a_100011216401_100020667443 [0,0,0,0,0,2|2,0,0]=4 1443 B12R1.105 Cc1cc(no1)CSCC(=O)N 62a_100000199038_100000747473 [0,0,0,0,0,2|2,0,0]=4 1444 B12R1.105 Cc1cc(no1)CSCC(=O)N 62a_100000747473_100000199038 [0,0,0,0,0,2|2,0,0]=4 1445 B12R1.105 Cc1cc(no1)CSCC(=O)[O-] 62a_100000199038_100020667443 [0,0,0,0,0,2|2,0,0]=4 1446 B12R1.105 Cc1cc(no1)CSCC(=O)[O-] 62a_100020667443_100000199038 [0,0,0,0,0,2|2,0,0]=4 1447 B12R1.105 Cc1cc(no1)SCCC(=O)N 62a_100000716708_100000744528 [0,0,0,0,0,2|2,0,0]=4 1448 B12R1.105 Cc1cc(no1)SCCC(=O)N 62a_100000744528_100000716708 [0,0,0,0,0,2|2,0,0]=4 1449 B12R1.105 Cc1nc(no1)CNCC(=O)N 2230a_100000711301_100000231061 [0,0,0,0,0,2|2,0,0]=4 1450 B12R1.105 Cc1nc(no1)CNCC(=O)O 269956a_100016091260_100000231061 [0,0,0,0,0,2|2,0,0]=4 1451 B12R1.105 Cc1nc(no1)NCCC(=O)N 27a_100000740010_100012003639 [0,0,0,0,0,2|2,0,0]=4 1452 B12R1.226 C=C(C)CNc1cc(cnn1)C 27a_100000765925_100000070100 [0,0,0,0,0,2|2,0,0]=4 1453 B12R1.226 C=C(C)CNc1cc(ncn1)C 27a_100000765925_100000744208 [0,0,0,0,0,2|2,0,0]=4 1454 B12R1.226 CC(=O)NCc1cc(ccn1)Br 11a_100009818019_100015343762 [0,0,0,0,0,2|2,0,0]=4 1455 B12R1.226 CC(=O)NCc1cc(ccn1)Br 1626a_100009818019_100015343762 [0,0,0,0,0,2|2,0,0]=4 1456 B12R1.226 CC(=O)NCc1cc(ccn1)Br 240690a_100009818019_100015343762 [0,0,0,0,0,2|2,0,0]=4 1457 B12R1.226 CC(=O)NCc1cc(ccn1)Br 527a_100009818019_100103153847 [0,0,0,0,0,2|2,0,0]=4 1458 B12R1.226 CC(=O)NCc1cc(ccn1)C 11a_100011934573_100015343762 [0,0,0,0,0,2|1,0,0]=3 1459 B12R1.226 CC(=O)NCc1cc(ccn1)C 1626a_100011934573_100015343762 [0,0,0,0,0,2|1,0,0]=3 1460 B12R1.226 CC(=O)NCc1cc(ccn1)C 240690a_100011934573_100015343762 [0,0,0,0,0,2|1,0,0]=3 1461 B12R1.226 CC(=O)NCc1cc(ccn1)C 527a_100011934573_100103153847 [0,0,0,0,0,2|1,0,0]=3 1462 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 11a_100000085674_100015343762 [0,0,0,0,0,2|2,0,0]=4 1463 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 1626a_100000085674_100015343762 [0,0,0,0,0,2|2,0,0]=4 1464 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 240690a_100000085674_100015343762 [0,0,0,0,0,2|2,0,0]=4 1465 B12R1.226 CC(=O)NCc1cc(ccn1)Cl 527a_100000085674_100103153847 [0,0,0,0,0,2|2,0,0]=4 1466 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 1467 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 1468 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 1469 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,0,0,0,0,2|2,0,0]=4 1470 B12R1.226 CC(=O)NCc1ccnc(c1)C 11a_100011934566_100015343762 [0,0,0,0,0,2|2,0,0]=4 1471 B12R1.226 CC(=O)NCc1ccnc(c1)C 1626a_100011934566_100015343762 [0,0,0,0,0,2|2,0,0]=4 1472 B12R1.226 CC(=O)NCc1ccnc(c1)C 240690a_100011934566_100015343762 [0,0,0,0,0,2|2,0,0]=4 1473 B12R1.226 CC(=O)NCc1ccnc(c1)C 527a_100011934566_100103153847 [0,0,0,0,0,2|2,0,0]=4 1474 B12R1.226 CC(=O)NCc1cncc(c1)Br 11a_100011249555_100015343762 [0,0,0,0,0,2|2,0,0]=4 1475 B12R1.226 CC(=O)NCc1cncc(c1)Br 240690a_100011249555_100015343762 [0,0,0,0,0,2|2,0,0]=4 1476 B12R1.226 CC(=O)NCc1cncc(c1)Br 527a_100011249555_100103153847 [0,0,0,0,0,2|2,0,0]=4 1477 B12R1.226 CC(=O)NCc1cncc(c1)C 11a_100000692839_100015343762 [0,0,0,0,0,2|1,0,0]=3 1478 B12R1.226 CC(=O)NCc1cncc(c1)C 1626a_100000692839_100015343762 [0,0,0,0,0,2|1,0,0]=3 1479 B12R1.226 CC(=O)NCc1cncc(c1)C 240690a_100000692839_100015343762 [0,0,0,0,0,2|1,0,0]=3 1480 B12R1.226 CC(=O)NCc1cncc(c1)C 527a_100000692839_100103153847 [0,0,0,0,0,2|1,0,0]=3 1481 B12R1.226 CC(=O)NCc1cncc(c1)Cl 11a_200020614424_100015343762 [0,0,0,0,0,2|2,0,0]=4 1482 B12R1.226 CC(=O)NCc1cncc(c1)Cl 1626a_200020614424_100015343762 [0,0,0,0,0,2|2,0,0]=4 1483 B12R1.226 CC(=O)NCc1cncc(c1)Cl 240690a_200020614424_100015343762 [0,0,0,0,0,2|2,0,0]=4 1484 B12R1.226 CC(=O)NCc1cncc(c1)Cl 527a_200020614424_100103153847 [0,0,0,0,0,2|2,0,0]=4 1485 B12R1.226 CC(=O)NCc1cncc(c1)F 11a_100011962886_100015343762 [0,0,0,0,0,2|2,0,0]=4 1486 B12R1.226 CC(=O)NCc1cncc(c1)F 1626a_100011962886_100015343762 [0,0,0,0,0,2|2,0,0]=4 1487 B12R1.226 CC(=O)NCc1cncc(c1)F 240690a_100011962886_100015343762 [0,0,0,0,0,2|2,0,0]=4 1488 B12R1.226 CC(=O)NCc1cncc(c1)F 527a_100011962886_100103153847 [0,0,0,0,0,2|2,0,0]=4 1489 B12R1.226 CC(=O)NCc1nccc(n1)C 11a_100015186494_100015343762 [0,0,0,0,0,2|2,0,0]=4 1490 B12R1.226 CC(=O)NCc1nccc(n1)C 1626a_100015186494_100015343762 [0,0,0,0,0,2|2,0,0]=4 1491 B12R1.226 CC(=O)NCc1nccc(n1)C 240690a_100015186494_100015343762 [0,0,0,0,0,2|2,0,0]=4 1492 B12R1.226 CC(=O)NCc1nccc(n1)C 527a_100015186494_100103153847 [0,0,0,0,0,2|2,0,0]=4 1493 B12R1.226 CC(=O)NN=C1C=C(CCC1)C 4a_100000189765_100000750577 [0,0,0,0,0,2|2,0,0]=4 1494 B12R1.226 CC(=O)NNc1cc(ccn1)Br 22a_100000764631_100000070787 [0,0,0,0,0,2|2,0,0]=4 1495 B12R1.226 CC(=O)NNc1cc(ccn1)C 22a_100000746014_100000070787 [0,0,0,0,0,2|1,0,0]=3 1496 B12R1.226 CC(=O)NNc1cc(ccn1)Cl 22a_100102524961_100000070787 [0,0,0,0,0,2|2,0,0]=4 1497 B12R1.226 CC(=O)NNc1cc(ccn1)I 22a_100010221011_100000070787 [0,0,0,0,0,2|2,0,0]=4 1498 B12R1.226 CC(=O)NNc1cc(ncn1)Cl 22a_100000242035_100000070787 [0,0,0,0,0,2|2,0,0]=4 1499 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,0,0,0,0,2|2,0,0]=4 1500 B12R1.226 CC(=O)NNc1cncc(c1)Br 22a_100000727789_100000070787 [0,0,0,0,0,2|2,0,0]=4 1501 B12R1.226 CC(=O)NNc1cncc(c1)F 22a_200011955905_100000070787 [0,0,0,0,0,2|2,0,0]=4 1502 B12R1.226 CC(=O)NNc1nccc(n1)C 22a_100011780740_100000070787 [0,0,0,0,0,2|2,0,0]=4 1503 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [2,0,1,0,0,0|1,0,0]=4 1504 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [2,0,1,0,0,0|1,0,0]=4 1505 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [3,0,0,0,0,0|1,0,0]=4 1506 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [3,0,0,0,0,0|1,0,0]=4 1507 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [3,0,0,0,0,0|1,0,0]=4 1508 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [3,0,0,0,0,0|1,0,0]=4 1509 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [3,0,0,0,0,0|1,0,0]=4 1510 B9R1.21 CCc1cc(no1)OC 34a_200009875660_200000210301 [2,1,0,0,0,0|1,0,0]=4 1511 B9R1.21 CCc1cc(no1)O[13CH3] 34a_200009875660_200025704644 [2,1,0,0,0,0|1,0,0]=4 1512 B9R1.21 CCc1nc(no1)NC 27a_100102657272_100012003642 [2,1,0,0,0,0|1,0,0]=4 1513 B9R1.21 CSc1cc(on1)CN 62a_100015193020_200000210301 [2,1,0,0,0,0|1,0,0]=4 1514 B9R1.21 CSc1cc(on1)CN 62a_200000210301_100015193020 [2,1,0,0,0,0|1,0,0]=4 1515 B9R1.21 CSc1cc(on1)CO 62a_100009816691_200000210301 [2,1,0,0,0,0|1,0,0]=4 1516 B9R1.21 CSc1cc(on1)CO 62a_200000210301_100009816691 [2,1,0,0,0,0|1,0,0]=4 1517 B9R1.21 [13CH3]Sc1cc(on1)CN 62a_100015193020_200025704644 [2,1,0,0,0,0|1,0,0]=4 1518 B9R1.21 [13CH3]Sc1cc(on1)CN 62a_200025704644_100015193020 [2,1,0,0,0,0|1,0,0]=4 1519 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_100009816691_200025704644 [2,1,0,0,0,0|1,0,0]=4 1520 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_200025704644_100009816691 [2,1,0,0,0,0|1,0,0]=4 1521 B9R1.132 COc1noc(c1Br)C 34a_100010730664_200000210301 [2,1,0,0,0,0|1,0,0]=4 1522 B9R1.132 Cc1onc(c1Br)O[13CH3] 34a_100010730664_200025704644 [2,1,0,0,0,0|1,0,0]=4 1523 B9R1.12 CCNCc1ccon1 2230a_100015525214_100000234950 [2,1,0,0,0,0|0,0,1]=4 1524 B9R1.12 O=CCSc1ccon1 62a_100009818083_200015260668 [2,1,0,0,0,0|1,0,0]=4 1525 B9R1.12 O=CCSc1ccon1 62a_200015260668_100009818083 [2,1,0,0,0,0|1,0,0]=4 1526 B11R1.1 CC=NNc1ccc(cn1)C 4a_100000746693_200000210099 [1,1,0,0,0,1|1,0,0]=4 1527 B11R1.1 CC=NNc1ccc(nn1)C 4a_100000747182_200000210099 [1,1,0,0,0,1|1,0,0]=4 1528 B11R1.1 CC=NNc1ncc(cn1)C 4a_100011824989_200000210099 [1,1,0,0,0,1|1,0,0]=4 1529 B11R1.25 C=CC(=O)NCc1ccon1 240690a_100000688301_200121576911 [1,1,0,0,0,1|0,0,1]=4 1530 B11R1.25 CCC(=O)CSc1ccon1 62a_100000747405_100009818083 [1,1,0,0,0,1|1,0,0]=4 1531 B11R1.25 CCC(=O)CSc1ccon1 62a_100009818083_100000747405 [1,1,0,0,0,1|1,0,0]=4 1532 B11R1.25 CCC(=O)NCc1cc[nH]n1 11a_100000739516_100000210414 [1,1,0,0,0,1|1,0,0]=4 1533 B11R1.25 CCC(=O)NCc1cc[nH]n1 240690a_100000739516_100000210414 [1,1,0,0,0,1|1,0,0]=4 1534 B11R1.25 CCC(=O)NCc1cc[nH]n1 527a_100000739516_100000210414 [1,1,0,0,0,1|1,0,0]=4 1535 B11R1.25 CCC(=O)NCc1ccoc1 11a_100015206860_100000210414 [1,1,0,0,0,1|1,0,0]=4 1536 B11R1.25 CCC(=O)NCc1ccoc1 1626a_100015206860_100000210414 [1,1,0,0,0,1|1,0,0]=4 1537 B11R1.25 CCC(=O)NCc1ccoc1 240690a_100015206860_100000210414 [1,1,0,0,0,1|1,0,0]=4 1538 B11R1.25 CCC(=O)NCc1ccoc1 527a_100015206860_100000210414 [1,1,0,0,0,1|1,0,0]=4 1539 B11R1.25 CCC(=O)NCc1ccon1 11a_100000688301_100000210414 [1,1,0,0,0,1|0,0,0]=3 1540 B11R1.25 CCC(=O)NCc1ccon1 240690a_100000688301_100000210414 [1,1,0,0,0,1|0,0,0]=3 1541 B11R1.25 CCC(=O)NCc1ccon1 527a_100000688301_100000210414 [1,1,0,0,0,1|0,0,0]=3 1542 B11R1.25 CNC(=O)CSc1ccon1 62a_100000183359_100009818083 [1,1,0,0,0,1|1,0,0]=4 1543 B11R1.25 CNC(=O)CSc1ccon1 62a_100009818083_100000183359 [1,1,0,0,0,1|1,0,0]=4 1544 B11R1.25 CNC(=O)NCc1cc[nH]n1 2708a_100000739516_106832991635 [1,1,0,0,0,1|1,0,0]=4 1545 B11R1.25 CNC(=O)NCc1cc[nH]n1 2708a_100102657272_100000739516 [1,1,0,0,0,1|1,0,0]=4 1546 B11R1.25 CNC(=O)NCc1cc[nH]n1 273464a_100000739516_100102657272 [1,1,0,0,0,1|1,0,0]=4 1547 B11R1.25 CNC(=O)NCc1cc[nH]n1 273464a_100102657272_100000739516 [1,1,0,0,0,1|1,0,0]=4 1548 B11R1.25 CNC(=O)NCc1cc[nH]n1 512a_100000739516_100102657272 [1,1,0,0,0,1|1,0,0]=4 1549 B11R1.25 CNC(=O)NCc1cc[nH]n1 512a_106832991638_100000739516 [1,1,0,0,0,1|1,0,0]=4 1550 B11R1.25 CNC(=O)NCc1ccoc1 2708a_100015206860_106832991635 [1,1,0,0,0,1|1,0,0]=4 1551 B11R1.25 CNC(=O)NCc1ccoc1 2708a_100102657272_100015206860 [1,1,0,0,0,1|1,0,0]=4 1552 B11R1.25 CNC(=O)NCc1ccoc1 273464a_100015206860_100102657272 [1,1,0,0,0,1|1,0,0]=4 1553 B11R1.25 CNC(=O)NCc1ccoc1 273464a_100102657272_100015206860 [1,1,0,0,0,1|1,0,0]=4 1554 B11R1.25 CNC(=O)NCc1ccoc1 512a_100015206860_100102657272 [1,1,0,0,0,1|1,0,0]=4 1555 B11R1.25 CNC(=O)NCc1ccoc1 512a_106832991638_100015206860 [1,1,0,0,0,1|1,0,0]=4 1556 B11R1.25 CNC(=O)NCc1ccon1 2708a_100000688301_106832991635 [1,1,0,0,0,1|0,0,0]=3 1557 B11R1.25 CNC(=O)NCc1ccon1 2708a_100102657272_100000688301 [1,1,0,0,0,1|0,0,0]=3 1558 B11R1.25 CNC(=O)NCc1ccon1 273464a_100000688301_100102657272 [1,1,0,0,0,1|0,0,0]=3 1559 B11R1.25 CNC(=O)NCc1ccon1 273464a_100102657272_100000688301 [1,1,0,0,0,1|0,0,0]=3 1560 B11R1.25 CNC(=O)NCc1ccon1 512a_100000688301_100102657272 [1,1,0,0,0,1|0,0,0]=3 1561 B11R1.25 CNC(=O)NCc1ccon1 512a_106832991638_100000688301 [1,1,0,0,0,1|0,0,0]=3 1562 B11R1.25 CNC(=O)NCc1ncon1 2708a_100000754049_106832991635 [1,1,0,0,0,1|1,0,0]=4 1563 B11R1.25 CNC(=O)NCc1ncon1 2708a_100102657272_100000754049 [1,1,0,0,0,1|1,0,0]=4 1564 B11R1.25 CNC(=O)NCc1ncon1 273464a_100000754049_100102657272 [1,1,0,0,0,1|1,0,0]=4 1565 B11R1.25 CNC(=O)NCc1ncon1 273464a_100102657272_100000754049 [1,1,0,0,0,1|1,0,0]=4 1566 B11R1.25 CNC(=O)NCc1ncon1 512a_100000754049_100102657272 [1,1,0,0,0,1|1,0,0]=4 1567 B11R1.25 CNC(=O)NCc1ncon1 512a_106832991638_100000754049 [1,1,0,0,0,1|1,0,0]=4 1568 B11R1.25 COC(=O)CSc1ccon1 62a_100000747449_100009818083 [1,1,0,0,0,1|1,0,0]=4 1569 B11R1.25 COC(=O)CSc1ccon1 62a_100009818083_100000747449 [1,1,0,0,0,1|1,0,0]=4 1570 B11R1.25 O=C(CO)NCc1cc[nH]n1 240690a_100000739516_100000210174 [1,1,0,0,0,1|1,0,0]=4 1571 B11R1.25 O=C(CO)NCc1cc[nH]n1 527a_100000739516_100000210174 [1,1,0,0,0,1|1,0,0]=4 1572 B11R1.25 O=C(CO)NCc1ccoc1 240690a_100015206860_100000210174 [1,1,0,0,0,1|1,0,0]=4 1573 B11R1.25 O=C(CO)NCc1ccoc1 527a_100015206860_100000210174 [1,1,0,0,0,1|1,0,0]=4 1574 B11R1.25 O=C(CO)NCc1ccon1 240690a_100000688301_100000210174 [1,1,0,0,0,1|0,0,0]=3 1575 B11R1.25 O=C(CO)NCc1ccon1 527a_100000688301_100000210174 [1,1,0,0,0,1|0,0,0]=3 1576 B11R1.35 CC(=O)C(C)Sc1ccon1 62a_100009814033_100009818083 [1,1,0,0,0,1|1,0,0]=4 1577 B11R1.35 CC(=O)C(C)Sc1ccon1 62a_100009818083_100009814033 [1,1,0,0,0,1|1,0,0]=4 1578 B11R1.35 CC(=O)N(C)Cc1ccon1 11a_100000757864_100015343762 [1,1,0,0,0,1|0,0,0]=3 1579 B11R1.35 CC(=O)N(C)Cc1ccon1 240690a_100000757864_100015343762 [1,1,0,0,0,1|0,0,0]=3 1580 B11R1.35 CC(=O)N(C)Cc1ccon1 527a_100000757864_100103153847 [1,1,0,0,0,1|0,0,0]=3 1581 B11R1.77 CC(=O)NC(C)c1ccoc1 11a_100000690049_100015343762 [1,1,0,0,0,1|1,0,0]=4 1582 B11R1.77 CC(=O)NC(C)c1ccoc1 1626a_100000690049_100015343762 [1,1,0,0,0,1|1,0,0]=4 1583 B11R1.77 CC(=O)NC(C)c1ccoc1 240690a_100000690049_100015343762 [1,1,0,0,0,1|1,0,0]=4 1584 B11R1.77 CC(=O)NC(C)c1ccoc1 527a_100000690049_100103153847 [1,1,0,0,0,1|1,0,0]=4 1585 B11R1.90 CC(=O)NCc1nonc1C 11a_100000756898_100015343762 [1,1,0,0,0,1|1,0,0]=4 1586 B11R1.90 CC(=O)NCc1nonc1C 1626a_100000756898_100015343762 [1,1,0,0,0,1|1,0,0]=4 1587 B11R1.90 CC(=O)NCc1nonc1C 240690a_100000756898_100015343762 [1,1,0,0,0,1|1,0,0]=4 1588 B11R1.90 CC(=O)NCc1nonc1C 527a_100000756898_100103153847 [1,1,0,0,0,1|1,0,0]=4 1589 B11R1.510 CS(=O)(=O)NCc1ccon1 40a_100000688301_100000738038 [1,1,0,0,0,1|1,0,0]=4 1590 B11R1.15 CCNC(C)c1cc(on1)C 269862a_100015525214_100000723125 [1,2,0,0,0,0|0,0,1]=4 1591 B11R1.27 C/C=C/CSc1cc(on1)C 62a_100000716708_100102629194 [1,2,0,0,0,0|1,0,0]=4 1592 B11R1.27 C/C=C/CSc1cc(on1)C 62a_100102629194_100000716708 [1,2,0,0,0,0|1,0,0]=4 1593 B11R1.27 C=CCNCc1cc(on1)C 2230a_100000745230_100000210623 [1,2,0,0,0,0|0,0,1]=4 1594 B11R1.27 C=CCNCc1cc(on1)C 2230a_100020586998_100000199038 [1,2,0,0,0,0|0,0,1]=4 1595 B11R1.27 C=CCNCc1cc(on1)C 270004a_100020586998_100011217994 [1,2,0,0,0,0|0,0,1]=4 1596 B11R1.27 C=CCNCc1cc(on1)C 34a_100000745230_100015514636 [1,2,0,0,0,0|0,0,1]=4 1597 B11R1.27 CC=CCSc1cc(on1)C 62a_100000070051_100000716708 [1,2,0,0,0,0|1,0,0]=4 1598 B11R1.27 CC=CCSc1cc(on1)C 62a_100000716708_100000070051 [1,2,0,0,0,0|1,0,0]=4 1599 B11R1.27 CCCNCc1cc(on1)C 207a_100020643023_100011217994 [1,2,0,0,0,0|0,0,1]=4 1600 B11R1.27 CCCNCc1cc(on1)C 2230a_100000745230_100000210303 [1,2,0,0,0,0|0,0,1]=4 1601 B11R1.27 CCCNCc1cc(on1)C 270004a_100020643023_100011217994 [1,2,0,0,0,0|0,0,1]=4 1602 B11R1.27 CCCNCc1cc(on1)C 34a_100000745230_100000210303 [1,2,0,0,0,0|0,0,1]=4 1603 B11R1.27 CCNN=Cc1cc(on1)C 4a_100000756455_100011217994 [1,2,0,0,0,0|0,0,1]=4 1604 B11R1.27 COCNCc1cc(on1)C 2230a_100000745230_100000766300 [1,2,0,0,0,0|0,0,1]=4 1605 B11R1.27 CSCNCc1cc(on1)C 2230a_100000745230_100011218213 [1,2,0,0,0,0|0,0,1]=4 1606 B11R1.27 CSCNCc1cc(on1)C 34a_100000745230_100011218213 [1,2,0,0,0,0|0,0,1]=4 1607 B11R1.27 Cc1cc(no1)CNCC=O 2230a_100000745230_200015260668 [1,2,0,0,0,0|0,0,0]=3 1608 B11R1.27 Cc1cc(no1)CNCC=O 34a_100000745230_200009817547 [1,2,0,0,0,0|0,0,0]=3 1609 B11R1.27 Cc1cc(no1)CNCCF 2230a_100000745230_100011217306 [1,2,0,0,0,0|0,0,1]=4 1610 B11R1.27 Cc1cc(no1)CNCCF 34a_100000724931_100000199038 [1,2,0,0,0,0|0,0,1]=4 1611 B11R1.27 Cc1cc(no1)CNCCF 34a_100000745230_100011217306 [1,2,0,0,0,0|0,0,1]=4 1612 B11R1.27 Cc1cc(no1)CNCCO 207a_100000210304_100011217994 [1,2,0,0,0,0|0,0,1]=4 1613 B11R1.27 Cc1cc(no1)CNCCO 2230a_100000745230_100000211926 [1,2,0,0,0,0|0,0,1]=4 1614 B11R1.27 Cc1cc(no1)CNCCO 2230a_100016997473_100000199038 [1,2,0,0,0,0|0,0,1]=4 1615 B11R1.27 Cc1cc(no1)CNCCO 270004a_100000210304_100011217994 [1,2,0,0,0,0|0,0,1]=4 1616 B11R1.27 Cc1cc(no1)CNCCO 34a_100000745230_100000211926 [1,2,0,0,0,0|0,0,1]=4 1617 B11R1.27 Cc1cc(no1)CNCCO 34a_100016990907_100000199038 [1,2,0,0,0,0|0,0,1]=4 1618 B11R1.27 Cc1cc(no1)COCC=O 34a_100011216401_200009817547 [1,2,0,0,0,0|1,0,0]=4 1619 B11R1.27 Cc1cc(no1)CSCC=O 62a_100000199038_200015260668 [1,2,0,0,0,0|1,0,0]=4 1620 B11R1.27 Cc1cc(no1)CSCC=O 62a_200015260668_100000199038 [1,2,0,0,0,0|1,0,0]=4 1621 B11R1.212 Cc1onc(c1Br)OCC=O 34a_100010730664_200009817547 [1,2,0,0,0,0|1,0,0]=4 1622 B11R1.214 CCc1cc(no1)OCC=O 34a_200009875660_200009817547 [1,2,0,0,0,0|1,0,0]=4 1623 B11R1.214 NCc1cc(no1)SCC=O 62a_100015193020_200015260668 [1,2,0,0,0,0|1,0,0]=4 1624 B11R1.214 NCc1cc(no1)SCC=O 62a_200015260668_100015193020 [1,2,0,0,0,0|1,0,0]=4 1625 B11R1.214 O=CCSc1cc(on1)CO 62a_100009816691_200015260668 [1,2,0,0,0,0|1,0,0]=4 1626 B11R1.214 O=CCSc1cc(on1)CO 62a_200015260668_100009816691 [1,2,0,0,0,0|1,0,0]=4 1627 B11R1.30 C#CCC(=O)Cc1ccon1 1458a_100011220946_100000234950 [1,2,0,0,0,0|1,0,0]=4 1628 B11R1.30 C=CCC(=O)Cc1ccon1 1458a_100000210193_100000234950 [1,2,0,0,0,0|1,0,0]=4 1629 B11R1.30 CC#CC(=O)Cc1ccon1 1458a_100000763181_100000234950 [1,2,0,0,0,0|1,0,0]=4 1630 B11R1.30 CC=CC(=O)Cc1ccon1 1458a_100000210699_100000234950 [1,2,0,0,0,0|1,0,0]=4 1631 B11R1.30 CCCC(=O)Cc1ccon1 1458a_100000211992_100000234950 [1,2,0,0,0,0|1,0,0]=4 1632 B11R1.30 CNCC(=O)Nc1ccon1 2230a_106832991635_100000239699 [1,2,0,0,0,0|0,0,0]=3 1633 B11R1.30 CNCC(=O)Nc1ccon1 7a_106832991635_100000239699 [1,2,0,0,0,0|0,0,0]=3 1634 B11R1.30 COCC(=O)Cc1ccon1 1458a_100000210968_100000234950 [1,2,0,0,0,0|1,0,0]=4 1635 B11R1.30 CSCC(=O)Cc1ccon1 1458a_100000184570_100000234950 [1,2,0,0,0,0|1,0,0]=4 1636 B11R1.30 CSCC(=O)Nc1ccon1 62a_100000239699_200000210301 [1,2,0,0,0,0|0,0,0]=3 1637 B11R1.30 CSCC(=O)Nc1ccon1 62a_200000210301_100000239699 [1,2,0,0,0,0|0,0,0]=3 1638 B11R1.30 N#CCC(=O)Cc1ccon1 1458a_100051588842_100000234950 [1,2,0,0,0,0|1,0,0]=4 1639 B11R1.30 O=C(CCO)Cc1ccon1 1458a_100011216618_100000234950 [1,2,0,0,0,0|1,0,0]=4 1640 B11R1.30 [13CH3]SCC(=O)Nc1ccon1 62a_100000239699_200025704644 [1,2,0,0,0,0|0,0,0]=3 1641 B11R1.30 [13CH3]SCC(=O)Nc1ccon1 62a_200025704644_100000239699 [1,2,0,0,0,0|0,0,0]=3 1642 B13R1.3 CC(=O)NNc1ccc(cn1)S[13CH3] 62a_200010175596_200025704644 [0,1,0,0,0,2|1,0,0]=4 1643 B13R1.3 CC(=O)NNc1ccc(cn1)S[13CH3] 62a_200025704644_200010175596 [0,1,0,0,0,2|1,0,0]=4 1644 B13R1.3 CCc1ccc(nc1)CNC(=O)C 11a_100000069493_100015343762 [0,1,0,0,0,2|1,0,0]=4 1645 B13R1.3 CCc1ccc(nc1)CNC(=O)C 1626a_100000069493_100015343762 [0,1,0,0,0,2|1,0,0]=4 1646 B13R1.3 CCc1ccc(nc1)CNC(=O)C 240690a_100000069493_100015343762 [0,1,0,0,0,2|1,0,0]=4 1647 B13R1.3 CCc1ccc(nc1)CNC(=O)C 527a_100000069493_100103153847 [0,1,0,0,0,2|1,0,0]=4 1648 B13R1.3 CCc1cnc(nc1)NNC(=O)C 22a_200000121340_100000070787 [0,1,0,0,0,2|1,0,0]=4 1649 B13R1.3 COc1ccc(nc1)CNC(=O)C 11a_100000703904_100015343762 [0,1,0,0,0,2|1,0,0]=4 1650 B13R1.3 COc1ccc(nc1)CNC(=O)C 1626a_100000703904_100015343762 [0,1,0,0,0,2|1,0,0]=4 1651 B13R1.3 COc1ccc(nc1)CNC(=O)C 240690a_100000703904_100015343762 [0,1,0,0,0,2|1,0,0]=4 1652 B13R1.3 COc1ccc(nc1)CNC(=O)C 527a_100000703904_100103153847 [0,1,0,0,0,2|1,0,0]=4 1653 B13R1.3 CSc1ccc(nc1)NNC(=O)C 62a_200000210301_200010175596 [0,1,0,0,0,2|1,0,0]=4 1654 B13R1.3 CSc1ccc(nc1)NNC(=O)C 62a_200010175596_200000210301 [0,1,0,0,0,2|1,0,0]=4 1655 B13R1.14 CCC(=O)NCc1ccc(cn1)C 11a_100015187455_100000210414 [0,1,0,0,0,2|1,0,0]=4 1656 B13R1.14 CCC(=O)NCc1ccc(cn1)C 1626a_100015187455_100000210414 [0,1,0,0,0,2|1,0,0]=4 1657 B13R1.14 CCC(=O)NCc1ccc(cn1)C 240690a_100015187455_100000210414 [0,1,0,0,0,2|1,0,0]=4 1658 B13R1.14 CCC(=O)NCc1ccc(cn1)C 527a_100015187455_100000210414 [0,1,0,0,0,2|1,0,0]=4 1659 B13R1.14 CCC(=O)NCc1cnc(cn1)C 11a_100132314150_100000210414 [0,1,0,0,0,2|1,0,0]=4 1660 B13R1.14 CCC(=O)NCc1cnc(cn1)C 240690a_100132314150_100000210414 [0,1,0,0,0,2|1,0,0]=4 1661 B13R1.14 CCC(=O)NCc1cnc(cn1)C 527a_100132314150_100000210414 [0,1,0,0,0,2|1,0,0]=4 1662 B13R1.14 CCC(=O)NNc1ccc(cn1)C 22a_100000746693_100000210414 [0,1,0,0,0,2|1,0,0]=4 1663 B13R1.14 CCC(=O)NNc1ccc(nn1)C 22a_100000747182_100000210414 [0,1,0,0,0,2|1,0,0]=4 1664 B13R1.14 CCC(=O)NNc1ncc(cn1)C 22a_100011824989_100000210414 [0,1,0,0,0,2|1,0,0]=4 1665 B13R1.14 CNC(=O)CNc1ccc(nn1)C 27a_100000693194_100000744512 [0,1,0,0,0,2|1,0,0]=4 1666 B13R1.14 CNC(=O)CNc1cnc(cn1)C 27a_100000693194_100000074397 [0,1,0,0,0,2|1,0,0]=4 1667 B13R1.14 CNC(=O)CNc1ncc(cn1)C 27a_100000693194_100000061069 [0,1,0,0,0,2|1,0,0]=4 1668 B13R1.14 CNC(=O)NCc1ccc(cn1)C 2708a_100015187455_106832991635 [0,1,0,0,0,2|1,0,0]=4 1669 B13R1.14 CNC(=O)NCc1ccc(cn1)C 2708a_100102657272_100015187455 [0,1,0,0,0,2|1,0,0]=4 1670 B13R1.14 CNC(=O)NCc1ccc(cn1)C 273464a_100015187455_100102657272 [0,1,0,0,0,2|1,0,0]=4 1671 B13R1.14 CNC(=O)NCc1ccc(cn1)C 273464a_100102657272_100015187455 [0,1,0,0,0,2|1,0,0]=4 1672 B13R1.14 CNC(=O)NCc1ccc(cn1)C 512a_100015187455_100102657272 [0,1,0,0,0,2|1,0,0]=4 1673 B13R1.14 CNC(=O)NCc1ccc(cn1)C 512a_106832991638_100015187455 [0,1,0,0,0,2|1,0,0]=4 1674 B13R1.14 CNC(=O)NCc1cnc(cn1)C 2708a_100102657272_100132314150 [0,1,0,0,0,2|1,0,0]=4 1675 B13R1.14 CNC(=O)NCc1cnc(cn1)C 2708a_100132314150_106832991635 [0,1,0,0,0,2|1,0,0]=4 1676 B13R1.14 CNC(=O)NCc1cnc(cn1)C 273464a_100102657272_100132314150 [0,1,0,0,0,2|1,0,0]=4 1677 B13R1.14 CNC(=O)NCc1cnc(cn1)C 273464a_100132314150_100102657272 [0,1,0,0,0,2|1,0,0]=4 1678 B13R1.14 CNC(=O)NCc1cnc(cn1)C 512a_100132314150_100102657272 [0,1,0,0,0,2|1,0,0]=4 1679 B13R1.14 CNC(=O)NCc1cnc(cn1)C 512a_106832991638_100132314150 [0,1,0,0,0,2|1,0,0]=4 1680 B13R1.14 CNC(=O)NNc1ccc(cn1)C 273464a_100102657272_100000746693 [0,1,0,0,0,2|1,0,0]=4 1681 B13R1.14 CNC(=O)NNc1ccc(cn1)C 512a_106832991638_100000746693 [0,1,0,0,0,2|1,0,0]=4 1682 B13R1.14 CNC(=O)NNc1ccc(nn1)C 273464a_100102657272_100000747182 [0,1,0,0,0,2|1,0,0]=4 1683 B13R1.14 CNC(=O)NNc1ccc(nn1)C 512a_106832991638_100000747182 [0,1,0,0,0,2|1,0,0]=4 1684 B13R1.14 CNC(=O)NNc1ncc(cn1)C 273464a_100102657272_100011824989 [0,1,0,0,0,2|1,0,0]=4 1685 B13R1.14 CNC(=O)NNc1ncc(cn1)C 512a_106832991638_100011824989 [0,1,0,0,0,2|1,0,0]=4 1686 B13R1.14 Cc1ccc(nc1)CNC(=O)CO 240690a_100015187455_100000210174 [0,1,0,0,0,2|1,0,0]=4 1687 B13R1.14 Cc1ccc(nc1)CNC(=O)CO 527a_100015187455_100000210174 [0,1,0,0,0,2|1,0,0]=4 1688 B13R1.14 Cc1ccc(nc1)NNC(=O)CO 22a_100000746693_100000210174 [0,1,0,0,0,2|1,0,0]=4 1689 B13R1.14 Cc1ccc(nn1)NNC(=O)CO 22a_100000747182_100000210174 [0,1,0,0,0,2|1,0,0]=4 1690 B13R1.14 Cc1cnc(cn1)CNC(=O)CO 240690a_100132314150_100000210174 [0,1,0,0,0,2|1,0,0]=4 1691 B13R1.14 Cc1cnc(cn1)CNC(=O)CO 527a_100132314150_100000210174 [0,1,0,0,0,2|1,0,0]=4 1692 B13R1.14 Cc1cnc(nc1)NNC(=O)CO 22a_100011824989_100000210174 [0,1,0,0,0,2|1,0,0]=4 1693 B13R1.133 CC(=O)N(C)Cc1ccc(cn1)C 11a_200000717808_100015343762 [0,1,0,0,0,2|1,0,0]=4 1694 B13R1.133 CC(=O)N(C)Cc1ccc(cn1)C 1626a_200000717808_100015343762 [0,1,0,0,0,2|1,0,0]=4 1695 B13R1.133 CC(=O)N(C)Cc1ccc(cn1)C 240690a_200000717808_100015343762 [0,1,0,0,0,2|1,0,0]=4 1696 B13R1.133 CC(=O)N(C)Cc1ccc(cn1)C 527a_200000717808_100103153847 [0,1,0,0,0,2|1,0,0]=4 1697 B13R1.164 CC(=O)NNc1ncc(cc1Br)C 22a_100012357580_100000070787 [0,1,0,0,0,2|1,0,0]=4 1698 B13R1.511 CC(=O)NCc1ccc(c(n1)C)C 11a_202515432893_100015343762 [0,1,0,0,0,2|1,0,0]=4 1699 B13R1.511 CC(=O)NCc1ccc(c(n1)C)C 1626a_202515432893_100015343762 [0,1,0,0,0,2|1,0,0]=4 1700 B13R1.511 CC(=O)NCc1ccc(c(n1)C)C 240690a_202515432893_100015343762 [0,1,0,0,0,2|1,0,0]=4 1701 B13R1.511 CC(=O)NCc1ccc(c(n1)C)C 527a_202515432893_100103153847 [0,1,0,0,0,2|1,0,0]=4 1702 B13R1.511 CC(=O)NNc1nnc(c(=O)[nH]1)C 22a_100000009693_100000070787 [0,1,0,0,0,2|1,0,0]=4 1703 B13R1.60 CC(=O)CCSc1cc(on1)CN 62a_100000053229_100015193020 [0,1,0,0,0,2|1,0,0]=4 1704 B13R1.60 CC(=O)CCSc1cc(on1)CN 62a_100015193020_100000053229 [0,1,0,0,0,2|1,0,0]=4 1705 B13R1.60 CC(=O)CCSc1cc(on1)CO 62a_100000053229_100009816691 [0,1,0,0,0,2|1,0,0]=4 1706 B13R1.60 CC(=O)CCSc1cc(on1)CO 62a_100009816691_100000053229 [0,1,0,0,0,2|1,0,0]=4 1707 B13R1.60 CC(=O)OCSc1cc(on1)CN 62a_100000076356_100015193020 [0,1,0,0,0,2|1,0,0]=4 1708 B13R1.60 CC(=O)OCSc1cc(on1)CN 62a_100015193020_100000076356 [0,1,0,0,0,2|1,0,0]=4 1709 B13R1.60 CC(=O)OCSc1cc(on1)CO 62a_100000076356_100009816691 [0,1,0,0,0,2|1,0,0]=4 1710 B13R1.60 CC(=O)OCSc1cc(on1)CO 62a_100009816691_100000076356 [0,1,0,0,0,2|1,0,0]=4 1711 B13R1.60 CCc1cc(no1)OCOC(=O)C 34a_200009875660_100009813279 [0,1,0,0,0,2|1,0,0]=4 1712 B13R1.60 CCc1nc(no1)CCNC(=O)C 11a_100000751922_100015343762 [0,1,0,0,0,2|1,0,0]=4 1713 B13R1.60 CCc1nc(no1)CCNC(=O)C 240690a_100000751922_100015343762 [0,1,0,0,0,2|1,0,0]=4 1714 B13R1.60 CCc1nc(no1)CCNC(=O)C 527a_100000751922_100103153847 [0,1,0,0,0,2|1,0,0]=4 1715 B13R1.129 CC(=O)NN=C(C)c1cc(on1)C 4a_100000189765_100000723125 [0,1,0,0,0,2|0,0,0]=3 1716 B13R1.129 CC(=O)NNC(=O)c1cc(on1)C 22a_100000189990_100000070787 [0,1,0,0,0,2|0,0,0]=3 1717 B13R1.717 CCC(=O)COCc1cc(on1)C 34a_100000725409_100000199038 [0,1,0,0,0,2|1,0,0]=4 1718 B13R1.717 CCC(=O)CSCc1cc(on1)C 62a_100000199038_100000747405 [0,1,0,0,0,2|1,0,0]=4 1719 B13R1.717 CCC(=O)CSCc1cc(on1)C 62a_100000747405_100000199038 [0,1,0,0,0,2|1,0,0]=4 1720 B13R1.717 CCC(=O)NN=Cc1cc(on1)C 4a_100000183195_100011217994 [0,1,0,0,0,2|0,0,0]=3 1721 B13R1.717 CCC(=O)NN=Cc1cc(sn1)C 4a_100000183195_200000100279 [0,1,0,0,0,2|0,1,0]=4 1722 B13R1.717 CNC(=O)CCNc1noc(n1)C 27a_100000738227_100012003639 [0,1,0,0,0,2|1,0,0]=4 1723 B13R1.717 CNC(=O)CCSc1cc(on1)C 62a_100000716708_100000737683 [0,1,0,0,0,2|1,0,0]=4 1724 B13R1.717 CNC(=O)CCSc1cc(on1)C 62a_100000737683_100000716708 [0,1,0,0,0,2|1,0,0]=4 1725 B13R1.717 CNC(=O)CNCc1cc(on1)C 207a_100000693194_100011217994 [0,1,0,0,0,2|0,0,0]=3 1726 B13R1.717 CNC(=O)CNCc1cc(on1)C 2230a_100000693194_100000199038 [0,1,0,0,0,2|0,0,0]=3 1727 B13R1.717 CNC(=O)CNCc1cc(on1)C 2230a_100000745230_100000183359 [0,1,0,0,0,2|0,0,0]=3 1728 B13R1.717 CNC(=O)CNCc1cc(on1)C 270004a_100000693194_100011217994 [0,1,0,0,0,2|0,0,0]=3 1729 B13R1.717 CNC(=O)CNCc1cc(on1)C 34a_100000745230_100000183359 [0,1,0,0,0,2|0,0,0]=3 1730 B13R1.717 CNC(=O)CNCc1cc(sn1)C 207a_100000693194_200000100279 [0,1,0,0,0,2|0,1,0]=4 1731 B13R1.717 CNC(=O)CNCc1cc(sn1)C 270004a_100000693194_200000100279 [0,1,0,0,0,2|0,1,0]=4 1732 B13R1.717 CNC(=O)CNCc1noc(n1)C 2230a_100000693194_100000231061 [0,1,0,0,0,2|1,0,0]=4 1733 B13R1.717 CNC(=O)COCc1cc(on1)C 34a_100000750040_100000199038 [0,1,0,0,0,2|1,0,0]=4 1734 B13R1.717 CNC(=O)COCc1cc(on1)C 34a_100011216401_100000183359 [0,1,0,0,0,2|1,0,0]=4 1735 B13R1.717 CNC(=O)CSCc1cc(on1)C 62a_100000183359_100000199038 [0,1,0,0,0,2|1,0,0]=4 1736 B13R1.717 CNC(=O)CSCc1cc(on1)C 62a_100000199038_100000183359 [0,1,0,0,0,2|1,0,0]=4 1737 B13R1.717 COC(=O)CCSc1cc(on1)C 62a_100000204255_100000716708 [0,1,0,0,0,2|1,0,0]=4 1738 B13R1.717 COC(=O)CCSc1cc(on1)C 62a_100000716708_100000204255 [0,1,0,0,0,2|1,0,0]=4 1739 B13R1.717 COC(=O)CNCc1cc(on1)C 2230a_100000745230_100000747449 [0,1,0,0,0,2|0,0,0]=3 1740 B13R1.717 COC(=O)CNCc1cc(on1)C 34a_100000745230_100000747449 [0,1,0,0,0,2|0,0,0]=3 1741 B13R1.717 COC(=O)COCc1cc(on1)C 34a_100011216401_100000747449 [0,1,0,0,0,2|1,0,0]=4 1742 B13R1.717 COC(=O)CSCc1cc(on1)C 62a_100000199038_100000747449 [0,1,0,0,0,2|1,0,0]=4 1743 B13R1.717 COC(=O)CSCc1cc(on1)C 62a_100000747449_100000199038 [0,1,0,0,0,2|1,0,0]=4 1744 B13R1.717 COC(=O)OCSc1cc(on1)C 62a_100000716708_100000139417 [0,1,0,0,0,2|1,0,0]=4 1745 B13R1.3424 C=C(C)CN(C)Cc1cc(on1)C 2230a_100000225649_100000199038 [0,1,0,0,0,2|1,0,0]=4 1746 B13R1.3424 C=C(C)CN(C)Cc1cc(on1)C 2230a_100000225746_100000748629 [0,1,0,0,0,2|1,0,0]=4 1747 B13R1.3424 C=C(C)CN(C)Cc1cc(on1)C 269982a_100000225649_100000199038 [0,1,0,0,0,2|1,0,0]=4 1748 B13R1.3424 C=C(C)CN(C)Cc1cc(on1)C 269982a_100000225746_100000748629 [0,1,0,0,0,2|1,0,0]=4 1749 B13R1.3424 C=C(C)CN(C)Cc1cc(on1)C 270004a_100000225649_100011217994 [0,1,0,0,0,2|1,0,0]=4 1750 B13R1.3424 CC(=O)CC(=O)Nc1cc(on1)C 1458a_100000070787_100000183126 [0,1,0,0,0,2|0,0,0]=3 1751 B13R1.3424 CC(=O)OC(C)Sc1cc(on1)C 62a_100000716708_100009818208 [0,1,0,0,0,2|1,0,0]=4 1752 B13R1.3424 CC(=O)OC(C)Sc1cc(on1)C 62a_100009818208_100000716708 [0,1,0,0,0,2|1,0,0]=4 1753 B13R1.3424 Cc1cc(no1)CN(C)CC(=O)N 2230a_100000225746_100000747473 [0,1,0,0,0,2|1,0,0]=4 1754 B13R1.3424 Cc1cc(no1)CN(C)CC(=O)N 2230a_100000739694_100000199038 [0,1,0,0,0,2|1,0,0]=4 1755 B13R1.3424 Cc1cc(no1)CN(C)CC(=O)N 269982a_100000225746_100000187820 [0,1,0,0,0,2|1,0,0]=4 1756 B13R1.3424 Cc1cc(no1)CN(C)CC(=O)N 270004a_100000739694_100011217994 [0,1,0,0,0,2|1,0,0]=4 1757 B13R1.3424 Cc1cc(no1)CN(C)CC(=O)O 269956a_100000746989_100000199038 [0,1,0,0,0,2|1,0,0]=4 1758 B13R1.3424 Cc1cc(no1)CN(C)CC(=O)[O-] 269982a_100000225746_100020667443 [0,1,0,0,0,2|1,0,0]=4 1759 B13R1.3425 C=C(C)C(=O)NCc1cc(on1)C 11a_100000745230_100000185857 [0,1,0,0,0,2|1,0,0]=4 1760 B13R1.3425 C=C(C)C(C)NCc1cc(on1)C 269862a_100000745230_100011216138 [0,1,0,0,0,2|1,0,0]=4 1761 B13R1.3425 CC(=O)C(=O)CSc1cc(on1)C 62a_100000716708_100011261029 [0,1,0,0,0,2|1,0,0]=4 1762 B13R1.3425 CC(=O)C(=O)CSc1cc(on1)C 62a_100011261029_100000716708 [0,1,0,0,0,2|1,0,0]=4 1763 B13R1.3425 CC(=O)C(C)NCc1cc(on1)C 2230a_100000745230_100009814033 [0,1,0,0,0,2|0,0,0]=3 1764 B13R1.3425 CC(=O)C(C)OCc1cc(on1)C 34a_100000212229_100000199038 [0,1,0,0,0,2|1,0,0]=4 1765 B13R1.3425 CC(=O)C(C)SCc1cc(on1)C 62a_100000199038_100009814033 [0,1,0,0,0,2|1,0,0]=4 1766 B13R1.3425 CC(=O)C(C)SCc1cc(on1)C 62a_100009814033_100000199038 [0,1,0,0,0,2|1,0,0]=4 1767 B13R1.3425 CC(=O)N(C)CCc1noc(n1)C 11a_100000730564_100015343762 [0,1,0,0,0,2|1,0,0]=4 1768 B13R1.3425 CC(=O)N(C)CCc1noc(n1)C 240690a_100000730564_100015343762 [0,1,0,0,0,2|1,0,0]=4 1769 B13R1.3425 CC(=O)N(C)CCc1noc(n1)C 527a_100000730564_100103153847 [0,1,0,0,0,2|1,0,0]=4 1770 B13R1.3425 Cc1cc(no1)CNC(=O)C(=O)N 240690a_100000745230_100011215815 [0,1,0,0,0,2|1,0,0]=4 1771 B13R1.3425 Cc1cc(no1)CNC(C)C(=O)N 2230a_100000745230_100000702099 [0,1,0,0,0,2|1,0,0]=4 1772 B13R1.3425 Cc1cc(no1)CNC(C)C(=O)N 34a_100000745230_100000702099 [0,1,0,0,0,2|1,0,0]=4 1773 B13R1.3425 Cc1cc(no1)CNC(F)C(=O)N 2230a_100000745230_100009813875 [0,1,0,0,0,2|1,0,0]=4 1774 B13R1.3425 Cc1cc(no1)CNC(F)C(=O)N 34a_100000745230_100009813875 [0,1,0,0,0,2|1,0,0]=4 1775 B13R1.3425 Cc1cc(no1)CNC(F)C(=O)[O-] 34a_100000745230_100020610796 [0,1,0,0,0,2|1,0,0]=4 1776 B13R1.3425 Cc1cc(no1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000199038 [0,1,0,0,0,2|1,0,0]=4 1777 B13R1.3425 Cc1cc(no1)CN[C@H](C)C(=O)N 2230a_100000119354_100000199038 [0,1,0,0,0,2|1,0,0]=4 1778 B13R1.3425 Cc1cc(no1)CN[C@H](C)C(=O)N 270004a_100000119354_100011217994 [0,1,0,0,0,2|1,0,0]=4 1779 B13R1.3425 Cc1cc(no1)CN[C@H](C)C(=O)N 34a_100000119354_100000199038 [0,1,0,0,0,2|1,0,0]=4 1780 B13R1.3443 CC(=O)NN=Cc1cc(n(n1)C)C 4a_100000189765_100000763638 [0,1,0,0,0,2|1,0,0]=4 1781 B13R1.7544 CC(=O)OCOc1noc(c1Br)C 34a_100010730664_100009813279 [0,1,0,0,0,2|1,0,0]=4 1782 B13R1.15 CCC(=O)NCc1cc(ccn1)C 11a_100011934573_100000210414 [0,1,0,0,0,2|1,0,0]=4 1783 B13R1.15 CCC(=O)NCc1cc(ccn1)C 1626a_100011934573_100000210414 [0,1,0,0,0,2|1,0,0]=4 1784 B13R1.15 CCC(=O)NCc1cc(ccn1)C 240690a_100011934573_100000210414 [0,1,0,0,0,2|1,0,0]=4 1785 B13R1.15 CCC(=O)NCc1cc(ccn1)C 527a_100011934573_100000210414 [0,1,0,0,0,2|1,0,0]=4 1786 B13R1.15 CCC(=O)NCc1cncc(c1)C 11a_100000692839_100000210414 [0,1,0,0,0,2|1,0,0]=4 1787 B13R1.15 CCC(=O)NCc1cncc(c1)C 1626a_100000692839_100000210414 [0,1,0,0,0,2|1,0,0]=4 1788 B13R1.15 CCC(=O)NCc1cncc(c1)C 240690a_100000692839_100000210414 [0,1,0,0,0,2|1,0,0]=4 1789 B13R1.15 CCC(=O)NCc1cncc(c1)C 527a_100000692839_100000210414 [0,1,0,0,0,2|1,0,0]=4 1790 B13R1.15 CCC(=O)NNc1cc(ccn1)C 22a_100000746014_100000210414 [0,1,0,0,0,2|1,0,0]=4 1791 B13R1.15 CNC(=O)CNc1cc(cnn1)C 27a_100000693194_100000070100 [0,1,0,0,0,2|1,0,0]=4 1792 B13R1.15 CNC(=O)CNc1cc(ncn1)C 27a_100000693194_100000744208 [0,1,0,0,0,2|1,0,0]=4 1793 B13R1.15 CNC(=O)NCc1cc(ccn1)C 2708a_100011934573_106832991635 [0,1,0,0,0,2|1,0,0]=4 1794 B13R1.15 CNC(=O)NCc1cc(ccn1)C 2708a_100102657272_100011934573 [0,1,0,0,0,2|1,0,0]=4 1795 B13R1.15 CNC(=O)NCc1cc(ccn1)C 273464a_100011934573_100102657272 [0,1,0,0,0,2|1,0,0]=4 1796 B13R1.15 CNC(=O)NCc1cc(ccn1)C 273464a_100102657272_100011934573 [0,1,0,0,0,2|1,0,0]=4 1797 B13R1.15 CNC(=O)NCc1cc(ccn1)C 512a_100011934573_100102657272 [0,1,0,0,0,2|1,0,0]=4 1798 B13R1.15 CNC(=O)NCc1cc(ccn1)C 512a_106832991638_100011934573 [0,1,0,0,0,2|1,0,0]=4 1799 B13R1.15 CNC(=O)NCc1cncc(c1)C 2708a_100000692839_106832991635 [0,1,0,0,0,2|1,0,0]=4 1800 B13R1.15 CNC(=O)NCc1cncc(c1)C 2708a_100102657272_100000692839 [0,1,0,0,0,2|1,0,0]=4 1801 B13R1.15 CNC(=O)NCc1cncc(c1)C 273464a_100000692839_100102657272 [0,1,0,0,0,2|1,0,0]=4 1802 B13R1.15 CNC(=O)NCc1cncc(c1)C 273464a_100102657272_100000692839 [0,1,0,0,0,2|1,0,0]=4 1803 B13R1.15 CNC(=O)NCc1cncc(c1)C 512a_100000692839_100102657272 [0,1,0,0,0,2|1,0,0]=4 1804 B13R1.15 CNC(=O)NCc1cncc(c1)C 512a_106832991638_100000692839 [0,1,0,0,0,2|1,0,0]=4 1805 B13R1.15 CNC(=O)NNc1cc(ccn1)C 273464a_100102657272_100000746014 [0,1,0,0,0,2|1,0,0]=4 1806 B13R1.15 CNC(=O)NNc1cc(ccn1)C 512a_106832991638_100000746014 [0,1,0,0,0,2|1,0,0]=4 1807 B13R1.15 Cc1ccnc(c1)CNC(=O)CO 240690a_100011934573_100000210174 [0,1,0,0,0,2|1,0,0]=4 1808 B13R1.15 Cc1ccnc(c1)CNC(=O)CO 527a_100011934573_100000210174 [0,1,0,0,0,2|1,0,0]=4 1809 B13R1.15 Cc1ccnc(c1)NNC(=O)CO 22a_100000746014_100000210174 [0,1,0,0,0,2|1,0,0]=4 1810 B13R1.15 Cc1cncc(c1)CNC(=O)CO 240690a_100000692839_100000210174 [0,1,0,0,0,2|1,0,0]=4 1811 B13R1.15 Cc1cncc(c1)CNC(=O)CO 527a_100000692839_100000210174 [0,1,0,0,0,2|1,0,0]=4 1812 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 11a_100011933787_100015343762 [0,1,0,0,0,2|1,0,0]=4 1813 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 1626a_100011933787_100015343762 [0,1,0,0,0,2|1,0,0]=4 1814 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 240690a_100011933787_100015343762 [0,1,0,0,0,2|1,0,0]=4 1815 B13R1.147 CC(=O)NC(C)c1cc(ccn1)C 527a_100011933787_100103153847 [0,1,0,0,0,2|1,0,0]=4 1816 B13R1.148 CC(=O)N(C)Cc1cc(ccn1)C 11a_106354213154_100015343762 [0,1,0,0,0,2|1,0,0]=4 1817 B13R1.148 CC(=O)N(C)Cc1cc(ccn1)C 240690a_106354213154_100015343762 [0,1,0,0,0,2|1,0,0]=4 1818 B13R1.148 CC(=O)N(C)Cc1cc(ccn1)C 527a_106354213154_100103153847 [0,1,0,0,0,2|1,0,0]=4 1819 B13R1.643 COc1ccnc(c1)CNC(=O)C 11a_100000706253_100015343762 [0,1,0,0,0,2|1,0,0]=4 1820 B13R1.643 COc1ccnc(c1)CNC(=O)C 1626a_100000706253_100015343762 [0,1,0,0,0,2|1,0,0]=4 1821 B13R1.643 COc1ccnc(c1)CNC(=O)C 240690a_100000706253_100015343762 [0,1,0,0,0,2|1,0,0]=4 1822 B13R1.643 COc1ccnc(c1)CNC(=O)C 527a_100000706253_100103153847 [0,1,0,0,0,2|1,0,0]=4 1823 B13R1.643 COc1cncc(c1)CNC(=O)C 11a_100020589029_100015343762 [0,1,0,0,0,2|1,0,0]=4 1824 B13R1.643 COc1cncc(c1)CNC(=O)C 240690a_100020589029_100015343762 [0,1,0,0,0,2|1,0,0]=4 1825 B13R1.643 COc1cncc(c1)CNC(=O)C 527a_100020589029_100103153847 [0,1,0,0,0,2|1,0,0]=4 1826 B13R1.643 CSc1cc(ncn1)NNC(=O)C 22a_100000723099_100000070787 [0,1,0,0,0,2|1,0,0]=4 1827 B13R1.3420 CC(=O)NN=C1C=C(OC(=O)C1)C 4a_100000189765_100000143624 [0,1,0,0,0,2|1,0,0]=4 1828 B13R1.3420 CC(=O)NNc1cc(nc(n1)C)C 22a_100000738184_100000070787 [0,1,0,0,0,2|1,0,0]=4 1829 B13R1.5 COC(=O)Nc1ccc(cn1)SC 62a_200000210301_100000188976 [0,2,0,0,0,1|1,0,0]=4 1830 B13R1.5 COC(=O)Nc1ccc(cn1)S[13CH3] 62a_200025704644_100000188976 [0,2,0,0,0,1|1,0,0]=4 1831 B13R1.35 CC(=O)Nc1cc(c(cn1)S[13CH3])C 62a_200025704644_100011934553 [0,2,0,0,0,1|1,0,0]=4 1832 B13R1.35 CC(=O)Nc1ccc(c(n1)C)S[13CH3] 62a_100000187074_200025704644 [0,2,0,0,0,1|1,0,0]=4 1833 B13R1.35 CC(=O)Nc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100000187074 [0,2,0,0,0,1|1,0,0]=4 1834 B13R1.35 CC(=O)Nc1ccc(c(n1)F)S[13CH3] 62a_200025704644_100000050017 [0,2,0,0,0,1|1,0,0]=4 1835 B13R1.35 CSc1ccc(nc1C)NC(=O)C 62a_100000187074_200000210301 [0,2,0,0,0,1|1,0,0]=4 1836 B13R1.35 CSc1ccc(nc1C)NC(=O)C 62a_200000210301_100000187074 [0,2,0,0,0,1|1,0,0]=4 1837 B13R1.35 CSc1ccc(nc1F)NC(=O)C 62a_200000210301_100000050017 [0,2,0,0,0,1|1,0,0]=4 1838 B13R1.35 CSc1cnc(cc1C)NC(=O)C 62a_200000210301_100011934553 [0,2,0,0,0,1|1,0,0]=4 1839 B13R1.142 CC(=O)Nc1ccc(cn1)OCF 34a_200000094647_100015361967 [0,2,0,0,0,1|1,0,0]=4 1840 B13R1.142 CC(=O)Nc1ccc(cn1)OCF 7a_200000094647_100015361967 [0,2,0,0,0,1|1,0,0]=4 1841 B13R1.142 CC(=O)Nc1ccc(cn1)SCF 62a_100015361967_100000193312 [0,2,0,0,0,1|1,0,0]=4 1842 B13R1.142 CC(=O)Nc1ccc(nn1)SCF 62a_100015361967_100011804224 [0,2,0,0,0,1|1,0,0]=4 1843 B13R1.142 CC(=O)Nc1ncc(cn1)SCF 62a_100010141023_100015361967 [0,2,0,0,0,1|1,0,0]=4 1844 B13R1.142 CC(=O)Nc1ncc(cn1)SCF 62a_100015361967_100010141023 [0,2,0,0,0,1|1,0,0]=4 1845 B13R1.142 CC=Cc1ccc(nc1)NC(=O)C 271570a_100016259895_100000193312 [0,2,0,0,0,1|1,0,0]=4 1846 B13R1.142 CC=Cc1ccc(nn1)NC(=O)C 271570a_100016259895_100011804224 [0,2,0,0,0,1|1,0,0]=4 1847 B13R1.142 CC=Cc1cnc(nc1)NC(=O)C 271570a_100016259895_100010141023 [0,2,0,0,0,1|1,0,0]=4 1848 B13R1.142 CCOc1ccc(nc1)NC(=O)C 34a_200000094647_100000210202 [0,2,0,0,0,1|1,0,0]=4 1849 B13R1.142 CCOc1ccc(nc1)NC(=O)C 7a_200000094647_100000210202 [0,2,0,0,0,1|1,0,0]=4 1850 B13R1.142 CCSc1ccc(nc1)NC(=O)C 62a_100000210202_100000193312 [0,2,0,0,0,1|1,0,0]=4 1851 B13R1.142 CCSc1ccc(nn1)NC(=O)C 62a_100000210202_100011804224 [0,2,0,0,0,1|1,0,0]=4 1852 B13R1.142 CCSc1cnc(nc1)NC(=O)C 62a_100000210202_100010141023 [0,2,0,0,0,1|1,0,0]=4 1853 B13R1.142 CCSc1cnc(nc1)NC(=O)C 62a_100010141023_100000210202 [0,2,0,0,0,1|1,0,0]=4 1854 B13R1.585 C=C(C)c1ccc(nc1)NC(=O)C 271570a_100000694244_100000193312 [0,2,0,0,0,1|1,0,0]=4 1855 B13R1.585 C=C(C)c1ccc(nn1)NC(=O)C 271570a_100000694244_100011804224 [0,2,0,0,0,1|1,0,0]=4 1856 B13R1.585 C=C(C)c1cnc(nc1)NC(=O)C 271570a_100000694244_100010141023 [0,2,0,0,0,1|1,0,0]=4 1857 B13R1.653 CC(=O)Nc1ncc(cc1C)S[13CH3] 62a_200025704644_200011934169 [0,2,0,0,0,1|1,0,0]=4 1858 B13R1.653 CSc1cnc(c(c1)C)NC(=O)C 62a_200000210301_200011934169 [0,2,0,0,0,1|1,0,0]=4 1859 B13R1.19 CNCC(=O)Nc1ccc(cn1)C 2230a_106832991635_100020671718 [0,2,0,0,0,1|1,0,0]=4 1860 B13R1.19 CNCC(=O)Nc1ccc(cn1)C 7a_106832991635_100020671718 [0,2,0,0,0,1|1,0,0]=4 1861 B13R1.19 CSCC(=O)Nc1ccc(cn1)C 62a_200000210301_100020671718 [0,2,0,0,0,1|1,0,0]=4 1862 B13R1.19 Cc1ccc(nc1)NC(=O)CS[13CH3] 62a_200025704644_100020671718 [0,2,0,0,0,1|1,0,0]=4 1863 B13R1.51 C=Cc1cc(cnc1NC(=O)C)C 271570a_100011290941_200009816786 [0,2,0,0,0,1|1,0,0]=4 1864 B13R1.51 CC(=O)Nc1ncc(cc1S[13CH3])C 62a_200025704644_200009816786 [0,2,0,0,0,1|1,0,0]=4 1865 B13R1.51 CSc1cc(cnc1NC(=O)C)C 62a_200000210301_200009816786 [0,2,0,0,0,1|1,0,0]=4 1866 B13R1.10 CNC(=O)CN(C)c1noc(n1)C 27a_100000189611_100012003639 [0,2,0,0,0,1|1,0,0]=4 1867 B13R1.10 COC(=O)CN(C)c1noc(n1)C 27a_100000198492_100012003639 [0,2,0,0,0,1|1,0,0]=4 1868 B13R1.41 C#CCC(=O)NCc1cc(on1)C 527a_100000745230_100011220946 [0,2,0,0,0,1|0,0,0]=3 1869 B13R1.41 C#CCC(=O)NCc1noc(n1)C 527a_100000756492_100011220946 [0,2,0,0,0,1|1,0,0]=4 1870 B13R1.41 C=CCC(=O)NCc1cc(on1)C 11a_100000745230_100000210193 [0,2,0,0,0,1|0,0,0]=3 1871 B13R1.41 C=CCC(=O)NCc1cc(on1)C 240690a_100000745230_100000210193 [0,2,0,0,0,1|0,0,0]=3 1872 B13R1.41 C=CCC(=O)NCc1cc(on1)C 527a_100000745230_100000210193 [0,2,0,0,0,1|0,0,0]=3 1873 B13R1.41 C=CCC(=O)NCc1noc(n1)C 11a_100000756492_100000210193 [0,2,0,0,0,1|1,0,0]=4 1874 B13R1.41 C=CCC(=O)NCc1noc(n1)C 240690a_100000756492_100000210193 [0,2,0,0,0,1|1,0,0]=4 1875 B13R1.41 C=CCC(=O)NCc1noc(n1)C 527a_100000756492_100000210193 [0,2,0,0,0,1|1,0,0]=4 1876 B13R1.41 CC1=CC(=NNC(=O)CC#N)CO1 4a_100000210509_200009860027 [0,2,0,0,0,1|1,0,0]=4 1877 B13R1.41 CC=CC(=O)NCc1cc(on1)C 11a_100000745230_100000210699 [0,2,0,0,0,1|0,0,0]=3 1878 B13R1.41 CC=CC(=O)NCc1cc(on1)C 240690a_100000745230_100000210699 [0,2,0,0,0,1|0,0,0]=3 1879 B13R1.41 CC=CC(=O)NCc1noc(n1)C 11a_100000756492_100000210699 [0,2,0,0,0,1|1,0,0]=4 1880 B13R1.41 CC=CC(=O)NCc1noc(n1)C 240690a_100000756492_100000210699 [0,2,0,0,0,1|1,0,0]=4 1881 B13R1.41 CCCC(=O)CSc1cc(on1)C 62a_100000716708_100000747444 [0,2,0,0,0,1|1,0,0]=4 1882 B13R1.41 CCCC(=O)CSc1cc(on1)C 62a_100000747444_100000716708 [0,2,0,0,0,1|1,0,0]=4 1883 B13R1.41 CCCC(=O)NCc1cc(on1)C 11a_100000745230_100000211992 [0,2,0,0,0,1|0,0,0]=3 1884 B13R1.41 CCCC(=O)NCc1cc(on1)C 240690a_100000745230_100000211992 [0,2,0,0,0,1|0,0,0]=3 1885 B13R1.41 CCCC(=O)NCc1cc(on1)C 527a_100000745230_100000211992 [0,2,0,0,0,1|0,0,0]=3 1886 B13R1.41 CCCC(=O)NCc1noc(n1)C 11a_100000756492_100000211992 [0,2,0,0,0,1|1,0,0]=4 1887 B13R1.41 CCCC(=O)NCc1noc(n1)C 240690a_100000756492_100000211992 [0,2,0,0,0,1|1,0,0]=4 1888 B13R1.41 CCCC(=O)NCc1noc(n1)C 527a_100000756492_100000211992 [0,2,0,0,0,1|1,0,0]=4 1889 B13R1.41 CCCC(=O)NN=C1C=C(OC1)C 4a_100000189770_200009860027 [0,2,0,0,0,1|1,0,0]=4 1890 B13R1.41 CCNC(=O)CNc1noc(n1)C 27a_100016988866_100012003639 [0,2,0,0,0,1|1,0,0]=4 1891 B13R1.41 CCNC(=O)CSc1cc(on1)C 62a_100000183381_100000716708 [0,2,0,0,0,1|1,0,0]=4 1892 B13R1.41 CCNC(=O)CSc1cc(on1)C 62a_100000716708_100000183381 [0,2,0,0,0,1|1,0,0]=4 1893 B13R1.41 CCNC(=O)NCc1cc(on1)C 2708a_100000745230_100015525214 [0,2,0,0,0,1|0,0,0]=3 1894 B13R1.41 CCNC(=O)NCc1cc(on1)C 2708a_100015525214_100000745230 [0,2,0,0,0,1|0,0,0]=3 1895 B13R1.41 CCNC(=O)NCc1cc(on1)C 273464a_100000745230_100015525214 [0,2,0,0,0,1|0,0,0]=3 1896 B13R1.41 CCNC(=O)NCc1cc(on1)C 273464a_100015525214_100000745230 [0,2,0,0,0,1|0,0,0]=3 1897 B13R1.41 CCNC(=O)NCc1cc(on1)C 512a_100000745230_100015525214 [0,2,0,0,0,1|0,0,0]=3 1898 B13R1.41 CCNC(=O)NCc1cc(on1)C 512a_100015525214_100000745230 [0,2,0,0,0,1|0,0,0]=3 1899 B13R1.41 CCNC(=O)NCc1noc(n1)C 2708a_100000756492_100015525214 [0,2,0,0,0,1|1,0,0]=4 1900 B13R1.41 CCNC(=O)NCc1noc(n1)C 2708a_100015525214_100000756492 [0,2,0,0,0,1|1,0,0]=4 1901 B13R1.41 CCNC(=O)NCc1noc(n1)C 273464a_100000756492_100015525214 [0,2,0,0,0,1|1,0,0]=4 1902 B13R1.41 CCNC(=O)NCc1noc(n1)C 273464a_100015525214_100000756492 [0,2,0,0,0,1|1,0,0]=4 1903 B13R1.41 CCNC(=O)NCc1noc(n1)C 512a_100000756492_100015525214 [0,2,0,0,0,1|1,0,0]=4 1904 B13R1.41 CCNC(=O)NCc1noc(n1)C 512a_100015525214_100000756492 [0,2,0,0,0,1|1,0,0]=4 1905 B13R1.41 CCOC(=O)CSc1cc(on1)C 62a_100000188475_100000716708 [0,2,0,0,0,1|1,0,0]=4 1906 B13R1.41 CCOC(=O)CSc1cc(on1)C 62a_100000716708_100000188475 [0,2,0,0,0,1|1,0,0]=4 1907 B13R1.41 CNNC(=O)NCc1cc(on1)C 273464a_100000745230_100016993582 [0,2,0,0,0,1|0,0,0]=3 1908 B13R1.41 CNNC(=O)NCc1cc(on1)C 512a_100000745230_100016993582 [0,2,0,0,0,1|0,0,0]=3 1909 B13R1.41 CNNC(=O)NCc1cc(on1)C 512a_100016993582_100000745230 [0,2,0,0,0,1|0,0,0]=3 1910 B13R1.41 CNNC(=O)NCc1noc(n1)C 273464a_100000756492_100016993582 [0,2,0,0,0,1|1,0,0]=4 1911 B13R1.41 CNNC(=O)NCc1noc(n1)C 512a_100000756492_100016993582 [0,2,0,0,0,1|1,0,0]=4 1912 B13R1.41 CNNC(=O)NCc1noc(n1)C 512a_100016993582_100000756492 [0,2,0,0,0,1|1,0,0]=4 1913 B13R1.41 COCC(=O)NCc1cc(on1)C 11a_100000745230_100000210968 [0,2,0,0,0,1|0,0,0]=3 1914 B13R1.41 COCC(=O)NCc1cc(on1)C 240690a_100000745230_100000210968 [0,2,0,0,0,1|0,0,0]=3 1915 B13R1.41 COCC(=O)NCc1cc(on1)C 527a_100000745230_100000210968 [0,2,0,0,0,1|0,0,0]=3 1916 B13R1.41 COCC(=O)NCc1noc(n1)C 11a_100000756492_100000210968 [0,2,0,0,0,1|1,0,0]=4 1917 B13R1.41 COCC(=O)NCc1noc(n1)C 240690a_100000756492_100000210968 [0,2,0,0,0,1|1,0,0]=4 1918 B13R1.41 COCC(=O)NCc1noc(n1)C 527a_100000756492_100000210968 [0,2,0,0,0,1|1,0,0]=4 1919 B13R1.41 COCC(=O)NN=C1C=C(OC1)C 4a_100000216845_200009860027 [0,2,0,0,0,1|1,0,0]=4 1920 B13R1.41 CSCC(=O)NCc1cc(on1)C 11a_100000745230_100000184570 [0,2,0,0,0,1|0,0,0]=3 1921 B13R1.41 CSCC(=O)NCc1cc(on1)C 240690a_100000745230_100000184570 [0,2,0,0,0,1|0,0,0]=3 1922 B13R1.41 CSCC(=O)NCc1cc(on1)C 527a_100000745230_100000184570 [0,2,0,0,0,1|0,0,0]=3 1923 B13R1.41 CSCC(=O)NCc1noc(n1)C 11a_100000756492_100000184570 [0,2,0,0,0,1|1,0,0]=4 1924 B13R1.41 CSCC(=O)NCc1noc(n1)C 240690a_100000756492_100000184570 [0,2,0,0,0,1|1,0,0]=4 1925 B13R1.41 CSCC(=O)NCc1noc(n1)C 527a_100000756492_100000184570 [0,2,0,0,0,1|1,0,0]=4 1926 B13R1.41 Cc1cc(no1)CNC(=O)C=CBr 240690a_100000745230_100016273825 [0,2,0,0,0,1|0,0,1]=4 1927 B13R1.41 Cc1cc(no1)CNC(=O)C=CCl 11a_100000745230_200016279998 [0,2,0,0,0,1|0,0,1]=4 1928 B13R1.41 Cc1cc(no1)CNC(=O)C=CCl 240690a_100000745230_200016279998 [0,2,0,0,0,1|0,0,1]=4 1929 B13R1.41 Cc1cc(no1)CNC(=O)CC#N 240690a_100000745230_100051588842 [0,2,0,0,0,1|0,0,0]=3 1930 B13R1.41 Cc1cc(no1)CNC(=O)CCO 240690a_100000745230_100011216618 [0,2,0,0,0,1|0,0,0]=3 1931 B13R1.41 Cc1cc(no1)SCC(=O)NCO 62a_100000185155_100000716708 [0,2,0,0,0,1|1,0,0]=4 1932 B13R1.41 Cc1cc(no1)SCC(=O)NCO 62a_100000716708_100000185155 [0,2,0,0,0,1|1,0,0]=4 1933 B13R1.41 Cc1nc(no1)CNC(=O)CC#N 240690a_100000756492_100051588842 [0,2,0,0,0,1|1,0,0]=4 1934 B13R1.41 Cc1nc(no1)CNC(=O)CCO 240690a_100000756492_100011216618 [0,2,0,0,0,1|1,0,0]=4 1935 B13R1.61 CCC(=O)CSc1cc(on1)CN 62a_100000747405_100015193020 [0,2,0,0,0,1|1,0,0]=4 1936 B13R1.61 CCC(=O)CSc1cc(on1)CN 62a_100015193020_100000747405 [0,2,0,0,0,1|1,0,0]=4 1937 B13R1.61 CCC(=O)CSc1cc(on1)CO 62a_100000747405_100009816691 [0,2,0,0,0,1|1,0,0]=4 1938 B13R1.61 CCC(=O)CSc1cc(on1)CO 62a_100009816691_100000747405 [0,2,0,0,0,1|1,0,0]=4 1939 B13R1.61 CCC(=O)NCc1noc(n1)CC 11a_100000216075_100000210414 [0,2,0,0,0,1|1,0,0]=4 1940 B13R1.61 CCC(=O)NCc1noc(n1)CC 240690a_100000216075_100000210414 [0,2,0,0,0,1|1,0,0]=4 1941 B13R1.61 CCC(=O)NCc1noc(n1)CC 527a_100000216075_100000210414 [0,2,0,0,0,1|1,0,0]=4 1942 B13R1.61 CCc1cc(no1)OCC(=O)NC 34a_200009875660_100000183359 [0,2,0,0,0,1|1,0,0]=4 1943 B13R1.61 CCc1cc(no1)OCC(=O)OC 34a_200009875660_100000747449 [0,2,0,0,0,1|1,0,0]=4 1944 B13R1.61 CCc1nc(no1)CNC(=O)CO 240690a_100000216075_100000210174 [0,2,0,0,0,1|1,0,0]=4 1945 B13R1.61 CCc1nc(no1)CNC(=O)CO 527a_100000216075_100000210174 [0,2,0,0,0,1|1,0,0]=4 1946 B13R1.61 CCc1nc(no1)CNC(=O)NC 2708a_100000216075_106832991635 [0,2,0,0,0,1|1,0,0]=4 1947 B13R1.61 CCc1nc(no1)CNC(=O)NC 2708a_100102657272_100000216075 [0,2,0,0,0,1|1,0,0]=4 1948 B13R1.61 CCc1nc(no1)CNC(=O)NC 273464a_100000216075_100102657272 [0,2,0,0,0,1|1,0,0]=4 1949 B13R1.61 CCc1nc(no1)CNC(=O)NC 273464a_100102657272_100000216075 [0,2,0,0,0,1|1,0,0]=4 1950 B13R1.61 CCc1nc(no1)CNC(=O)NC 512a_100000216075_100102657272 [0,2,0,0,0,1|1,0,0]=4 1951 B13R1.61 CCc1nc(no1)CNC(=O)NC 512a_106832991638_100000216075 [0,2,0,0,0,1|1,0,0]=4 1952 B13R1.61 CCc1nc(no1)NCC(=O)NC 27a_100000693194_100012003642 [0,2,0,0,0,1|1,0,0]=4 1953 B13R1.61 CNC(=O)CSc1cc(on1)CN 62a_100000183359_100015193020 [0,2,0,0,0,1|1,0,0]=4 1954 B13R1.61 CNC(=O)CSc1cc(on1)CN 62a_100015193020_100000183359 [0,2,0,0,0,1|1,0,0]=4 1955 B13R1.61 CNC(=O)CSc1cc(on1)CO 62a_100000183359_100009816691 [0,2,0,0,0,1|1,0,0]=4 1956 B13R1.61 CNC(=O)CSc1cc(on1)CO 62a_100009816691_100000183359 [0,2,0,0,0,1|1,0,0]=4 1957 B13R1.61 COC(=O)CSc1cc(on1)CN 62a_100000747449_100015193020 [0,2,0,0,0,1|1,0,0]=4 1958 B13R1.61 COC(=O)CSc1cc(on1)CN 62a_100015193020_100000747449 [0,2,0,0,0,1|1,0,0]=4 1959 B13R1.61 COC(=O)CSc1cc(on1)CO 62a_100000747449_100009816691 [0,2,0,0,0,1|1,0,0]=4 1960 B13R1.61 COC(=O)CSc1cc(on1)CO 62a_100009816691_100000747449 [0,2,0,0,0,1|1,0,0]=4 1961 B13R1.134 C=CC(=O)N(C)Cc1cc(on1)C 240690a_100000225746_200121576911 [0,2,0,0,0,1|0,0,1]=4 1962 B13R1.134 CCC(=O)C(=O)Nc1cc(on1)C 1458a_100000738669_100000210202 [0,2,0,0,0,1|0,0,0]=3 1963 B13R1.134 CCC(=O)C(C)Sc1cc(on1)C 62a_100000716708_100000742827 [0,2,0,0,0,1|1,0,0]=4 1964 B13R1.134 CCC(=O)C(C)Sc1cc(on1)C 62a_100000742827_100000716708 [0,2,0,0,0,1|1,0,0]=4 1965 B13R1.134 CCC(=O)N(C)Cc1cc(on1)C 11a_100000225746_100000210414 [0,2,0,0,0,1|0,0,0]=3 1966 B13R1.134 CCC(=O)N(C)Cc1cc(on1)C 240690a_100000225746_100000210414 [0,2,0,0,0,1|0,0,0]=3 1967 B13R1.134 CCC(=O)N(C)Cc1cc(on1)C 527a_100000225746_100000210414 [0,2,0,0,0,1|0,0,0]=3 1968 B13R1.134 CCC(=O)N(C)Cc1noc(n1)C 11a_100000697600_100000210414 [0,2,0,0,0,1|1,0,0]=4 1969 B13R1.134 CCC(=O)N(C)Cc1noc(n1)C 240690a_100000697600_100000210414 [0,2,0,0,0,1|1,0,0]=4 1970 B13R1.134 CCC(=O)N(C)Cc1noc(n1)C 527a_100000697600_100000210414 [0,2,0,0,0,1|1,0,0]=4 1971 B13R1.134 CNC(=O)C(=O)Cc1cc(on1)C 1458a_100011218921_100000199038 [0,2,0,0,0,1|1,0,0]=4 1972 B13R1.134 CNC(=O)C(=O)Nc1cc(on1)C 240690a_100102657272_100000738669 [0,2,0,0,0,1|0,0,0]=3 1973 B13R1.134 CNC(=O)C(C)Sc1cc(on1)C 62a_100000209862_100000716708 [0,2,0,0,0,1|1,0,0]=4 1974 B13R1.134 CNC(=O)C(C)Sc1cc(on1)C 62a_100000716708_100000731044 [0,2,0,0,0,1|1,0,0]=4 1975 B13R1.134 CNC(=O)C(F)Sc1cc(on1)C 62a_100000716708_100009813575 [0,2,0,0,0,1|1,0,0]=4 1976 B13R1.134 CNC(=O)C(F)Sc1cc(on1)C 62a_100009813575_100000716708 [0,2,0,0,0,1|1,0,0]=4 1977 B13R1.134 CNC(=O)N(C)Cc1cc(on1)C 2708a_100102657272_100000225746 [0,2,0,0,0,1|0,0,0]=3 1978 B13R1.134 CNC(=O)N(C)Cc1cc(on1)C 273464a_100102657272_100000225746 [0,2,0,0,0,1|0,0,0]=3 1979 B13R1.134 CNC(=O)N(C)Cc1noc(n1)C 2708a_100102657272_100000697600 [0,2,0,0,0,1|1,0,0]=4 1980 B13R1.134 CNC(=O)N(C)Cc1noc(n1)C 273464a_100102657272_100000697600 [0,2,0,0,0,1|1,0,0]=4 1981 B13R1.134 CNC(=O)[C@@H](C)Nc1noc(n1)C 27a_100000684985_100012003639 [0,2,0,0,0,1|1,0,0]=4 1982 B13R1.134 COC(=O)C(C)Sc1cc(on1)C 62a_100000211248_100000716708 [0,2,0,0,0,1|1,0,0]=4 1983 B13R1.134 COC(=O)C(C)Sc1cc(on1)C 62a_100000716708_100000211248 [0,2,0,0,0,1|1,0,0]=4 1984 B13R1.134 Cc1cc(no1)CN(C)C(=O)CO 240690a_100000225746_100000210174 [0,2,0,0,0,1|0,0,0]=3 1985 B13R1.134 Cc1cc(no1)CN(C)C(=O)CO 527a_100000225746_100000210174 [0,2,0,0,0,1|0,0,0]=3 1986 B13R1.134 Cc1cc(no1)NC(=O)C(=O)CF 1458a_100000738669_100015361967 [0,2,0,0,0,1|0,0,0]=3 1987 B13R1.134 Cc1nc(no1)CN(C)C(=O)CO 240690a_100000697600_100000210174 [0,2,0,0,0,1|1,0,0]=4 1988 B13R1.134 Cc1nc(no1)CN(C)C(=O)CO 527a_100000697600_100000210174 [0,2,0,0,0,1|1,0,0]=4 1989 B13R1.253 CCS(=O)(=O)NCc1cc(on1)C 270084a_100000745230_100000211323 [0,2,0,0,0,1|1,0,0]=4 1990 B13R1.253 CCS(=O)(=O)NCc1cc(on1)C 274078a_100000745230_100000211323 [0,2,0,0,0,1|1,0,0]=4 1991 B13R1.253 CCS(=O)(=O)NCc1cc(on1)C 40a_100000745230_100000053943 [0,2,0,0,0,1|1,0,0]=4 1992 B13R1.253 Cc1cc(no1)CNS(=O)(=O)CCl 270084a_100000745230_100000031410 [0,2,0,0,0,1|1,0,0]=4 1993 B13R1.253 Cc1cc(no1)CNS(=O)(=O)CCl 274078a_100000745230_100000031410 [0,2,0,0,0,1|1,0,0]=4 1994 B13R1.596 CCC(=O)NN=C1C=C(OC1C)C 4a_100000183195_100000040871 [0,2,0,0,0,1|1,0,0]=4 1995 B13R1.597 CCC(=O)NCc1cc(n(n1)C)C 11a_100025705265_100000210414 [0,2,0,0,0,1|1,0,0]=4 1996 B13R1.597 CCC(=O)NCc1cc(n(n1)C)C 240690a_100025705265_100000210414 [0,2,0,0,0,1|1,0,0]=4 1997 B13R1.597 CCC(=O)NCc1cc(n(n1)C)C 527a_100025705265_100000210414 [0,2,0,0,0,1|1,0,0]=4 1998 B13R1.597 CNC(=O)NCc1cc(n(n1)C)C 2708a_100025705265_106832991635 [0,2,0,0,0,1|1,0,0]=4 1999 B13R1.597 CNC(=O)NCc1cc(n(n1)C)C 2708a_100102657272_100025705265 [0,2,0,0,0,1|1,0,0]=4 2000 B13R1.597 CNC(=O)NCc1cc(n(n1)C)C 273464a_100025705265_100102657272 [0,2,0,0,0,1|1,0,0]=4 2001 B13R1.597 CNC(=O)NCc1cc(n(n1)C)C 273464a_100102657272_100025705265 [0,2,0,0,0,1|1,0,0]=4 2002 B13R1.597 CNC(=O)NCc1cc(n(n1)C)C 512a_100025705265_100102657272 [0,2,0,0,0,1|1,0,0]=4 2003 B13R1.597 CNC(=O)NCc1cc(n(n1)C)C 512a_106832991638_100025705265 [0,2,0,0,0,1|1,0,0]=4 2004 B13R1.597 Cc1cc(nn1C)CNC(=O)CO 240690a_100025705265_100000210174 [0,2,0,0,0,1|1,0,0]=4 2005 B13R1.597 Cc1cc(nn1C)CNC(=O)CO 527a_100025705265_100000210174 [0,2,0,0,0,1|1,0,0]=4 2006 B13R1.2038 CCC(=O)NN=C1COC(=C1O)C 4a_100000183195_100000067015 [0,2,0,0,0,1|1,0,0]=4 2007 B13R1.2038 CNC(=O)COc1noc(c1Br)C 34a_100010730664_100000183359 [0,2,0,0,0,1|1,0,0]=4 2008 B13R1.2038 COC(=O)COc1noc(c1Br)C 34a_100010730664_100000747449 [0,2,0,0,0,1|1,0,0]=4 2009 B13R1.59 CC(=O)C(C)Sc1cc(on1)CN 62a_100009814033_100015193020 [0,2,0,0,0,1|1,0,0]=4 2010 B13R1.59 CC(=O)C(C)Sc1cc(on1)CN 62a_100015193020_100009814033 [0,2,0,0,0,1|1,0,0]=4 2011 B13R1.59 CC(=O)C(C)Sc1cc(on1)CO 62a_100009814033_100009816691 [0,2,0,0,0,1|1,0,0]=4 2012 B13R1.59 CC(=O)C(C)Sc1cc(on1)CO 62a_100009816691_100009814033 [0,2,0,0,0,1|1,0,0]=4 2013 B13R1.59 CCc1nc(no1)CN(C)C(=O)C 11a_100011649717_100015343762 [0,2,0,0,0,1|1,0,0]=4 2014 B13R1.59 CCc1nc(no1)CN(C)C(=O)C 240690a_100011649717_100015343762 [0,2,0,0,0,1|1,0,0]=4 2015 B13R1.59 CCc1nc(no1)CN(C)C(=O)C 527a_100011649717_100103153847 [0,2,0,0,0,1|1,0,0]=4 2016 B13R1.1985 CC(=O)NCc1noc(n1)C(C)C 11a_100015187197_100015343762 [0,2,0,0,0,1|1,0,0]=4 2017 B13R1.1985 CC(=O)NCc1noc(n1)C(C)C 1626a_100015187197_100015343762 [0,2,0,0,0,1|1,0,0]=4 2018 B13R1.1985 CC(=O)NCc1noc(n1)C(C)C 240690a_100015187197_100015343762 [0,2,0,0,0,1|1,0,0]=4 2019 B13R1.1985 CC(=O)NCc1noc(n1)C(C)C 527a_100015187197_100103153847 [0,2,0,0,0,1|1,0,0]=4 2020 B13R1.410 CCN(Cc1noc(n1)C)C(=O)C 11a_200015187012_100015343762 [0,2,0,0,0,1|1,0,0]=4 2021 B13R1.410 CCN(Cc1noc(n1)C)C(=O)C 1626a_200015187012_100015343762 [0,2,0,0,0,1|1,0,0]=4 2022 B13R1.410 CCN(Cc1noc(n1)C)C(=O)C 240690a_200015187012_100015343762 [0,2,0,0,0,1|1,0,0]=4 2023 B13R1.410 CCN(Cc1noc(n1)C)C(=O)C 527a_200015187012_100103153847 [0,2,0,0,0,1|1,0,0]=4 2024 B13R1.3429 CC(=O)C(C)(C)Sc1cc(on1)C 62a_100000075568_100000716708 [0,2,0,0,0,1|1,0,0]=4 2025 B13R1.3429 CC(=O)C(C)(C)Sc1cc(on1)C 62a_100000716708_100000075568 [0,2,0,0,0,1|1,0,0]=4 2026 B13R1.3430 Cc1cc(no1)CN(C)S(=O)(=O)C 40a_100000225746_100000738038 [0,2,0,0,0,1|1,0,0]=4 2027 B13R1.3467 CC(=O)NN=C1C(=C(OC1C)C)O 4a_100000189765_100000033130 [0,2,0,0,0,1|1,0,0]=4 2028 B13R1.97 CC(=O)Nc1cc(cnc1C)S[13CH3] 62a_100010117071_200025704644 [0,2,0,0,0,1|1,0,0]=4 2029 B13R1.97 CC(=O)Nc1cc(cnc1C)S[13CH3] 62a_200025704644_100010117071 [0,2,0,0,0,1|1,0,0]=4 2030 B13R1.97 CSc1cnc(c(c1)NC(=O)C)C 62a_100010117071_200000210301 [0,2,0,0,0,1|1,0,0]=4 2031 B13R1.97 CSc1cnc(c(c1)NC(=O)C)C 62a_200000210301_100010117071 [0,2,0,0,0,1|1,0,0]=4 2032 B13R1.373 CC(=O)Nc1cc(ccn1)SCF 62a_100015361967_100012362434 [0,2,0,0,0,1|1,0,0]=4 2033 B13R1.373 CC(=O)Nc1cncc(c1)SCF 62a_100015361967_100012351681 [0,2,0,0,0,1|1,0,0]=4 2034 B13R1.373 CC=Cc1ccnc(c1)NC(=O)C 271570a_100016259895_100012362434 [0,2,0,0,0,1|1,0,0]=4 2035 B13R1.373 CC=Cc1cncc(c1)NC(=O)C 271570a_100016259895_100012351681 [0,2,0,0,0,1|1,0,0]=4 2036 B13R1.373 CCSc1ccnc(c1)NC(=O)C 62a_100000210202_100012362434 [0,2,0,0,0,1|1,0,0]=4 2037 B13R1.373 CCSc1cncc(c1)NC(=O)C 62a_100000210202_100012351681 [0,2,0,0,0,1|1,0,0]=4 2038 B13R1.587 C=C(C)c1ccnc(c1)NC(=O)C 271570a_100000694244_100012362434 [0,2,0,0,0,1|1,0,0]=4 2039 B13R1.587 C=C(C)c1cncc(c1)NC(=O)C 271570a_100000694244_100012351681 [0,2,0,0,0,1|1,0,0]=4 2040 B13R1.43 C#CCCC(=O)Cc1cc(on1)C 1458a_100000692101_100000199038 [0,3,0,0,0,0|1,0,0]=4 2041 B13R1.43 C=CCCC(=O)Cc1cc(on1)C 1458a_100000749702_100000199038 [0,3,0,0,0,0|1,0,0]=4 2042 B13R1.43 CC=CCC(=O)Cc1cc(on1)C 1458a_100121576822_100000199038 [0,3,0,0,0,0|1,0,0]=4 2043 B13R1.43 CCC#CC(=O)Cc1cc(on1)C 1458a_100011827653_100000199038 [0,3,0,0,0,0|1,0,0]=4 2044 B13R1.43 CCC=CC(=O)Cc1cc(on1)C 1458a_100000212282_100000199038 [0,3,0,0,0,0|1,0,0]=4 2045 B13R1.43 CCCCC(=O)Cc1cc(on1)C 1458a_100000210183_100000199038 [0,3,0,0,0,0|1,0,0]=4 2046 B13R1.43 CCNCC(=O)Nc1cc(on1)C 2230a_100015525214_100000183126 [0,3,0,0,0,0|0,0,0]=3 2047 B13R1.43 CCOCC(=O)Cc1cc(on1)C 1458a_100000211967_100000199038 [0,3,0,0,0,0|1,0,0]=4 2048 B13R1.43 CCOCC(=O)Nc1cc(on1)C 34a_100121572206_100000183126 [0,3,0,0,0,0|0,0,0]=3 2049 B13R1.43 CCSCC(=O)Cc1cc(on1)C 1458a_100000230394_100000199038 [0,3,0,0,0,0|1,0,0]=4 2050 B13R1.43 CCSCC(=O)Nc1cc(on1)C 62a_100000210202_100000183126 [0,3,0,0,0,0|0,0,0]=3 2051 B13R1.43 CNCCC(=O)Nc1cc(on1)C 2230a_106832991635_100000242006 [0,3,0,0,0,0|0,0,0]=3 2052 B13R1.43 CNCCC(=O)Nc1cc(on1)C 7a_106832991635_100000242006 [0,3,0,0,0,0|0,0,0]=3 2053 B13R1.43 COC=CC(=O)Cc1cc(on1)C 1458a_100016268678_100000199038 [0,3,0,0,0,0|1,0,0]=4 2054 B13R1.43 COCCC(=O)Cc1cc(on1)C 1458a_100000749529_100000199038 [0,3,0,0,0,0|1,0,0]=4 2055 B13R1.43 CSCCC(=O)Cc1cc(on1)C 1458a_100000174002_100000199038 [0,3,0,0,0,0|1,0,0]=4 2056 B13R1.43 CSCCC(=O)Nc1cc(on1)C 62a_200000210301_100000242006 [0,3,0,0,0,0|0,0,0]=3 2057 B13R1.43 Cc1cc(no1)CC(=O)C#CCO 1458a_100000049017_100000199038 [0,3,0,0,0,0|1,0,0]=4 2058 B13R1.43 Cc1cc(no1)CC(=O)CCC#N 1458a_100011934036_100000199038 [0,3,0,0,0,0|1,0,0]=4 2059 B13R1.43 Cc1cc(no1)NC(=O)CCS[13CH3] 62a_200025704644_100000242006 [0,3,0,0,0,0|0,0,0]=3 2060 B13R1.43 Cc1cc(no1)NC(=O)CSCF 62a_100015361967_100000183126 [0,3,0,0,0,0|0,0,0]=3 2061 B13R1.1706 CC(C)c1cc(no1)CC(=O)CO 1458a_100000210174_100012000507 [0,3,0,0,0,0|1,0,0]=4 2062 B13R1.1706 CCC(=O)Cc1cc(on1)C(C)C 1458a_100000210414_100012000507 [0,3,0,0,0,0|1,0,0]=4 2063 B13R2.11 Cc1nc(no1)N2CNC(=O)C2 27a_200000708111_100012003639 [0,0,0,1,0,2|1,0,0]=4 2064 B13R2.2965 Cc1cc(no1)SC2CC(=O)C2 62a_100009894365_100000716708 [0,0,0,1,0,2|1,0,0]=4 2065 B13R2.2121 CSc1cnc2c(c1)CC(=O)N2 62a_200000210301_100010177629 [0,1,0,1,0,1|1,0,0]=4 2066 B13R2.2121 [13CH3]Sc1cnc2c(c1)CC(=O)N2 62a_200025704644_100010177629 [0,1,0,1,0,1|1,0,0]=4 2067 B13R2.145 Cc1cc(no1)SC2CCC2=O 62a_100000716708_100009892977 [0,1,0,1,0,1|1,0,0]=4 2068 B13R2.145 Cc1cc(no1)SC2CCC2=O 62a_100009892977_100000716708 [0,1,0,1,0,1|1,0,0]=4 2069 B13R2.581 CSc1ccnc2c1CC(=O)N2 62a_200000210301_100000104061 [0,1,0,1,0,1|1,0,0]=4 2070 B13R2.581 CSc1ncnc2c1CC(=O)N2 62a_200000210301_100000094081 [0,1,0,1,0,1|1,0,0]=4 2071 B13R2.581 [13CH3]Sc1ccnc2c1CC(=O)N2 62a_200025704644_100000104061 [0,1,0,1,0,1|1,0,0]=4 2072 B13R2.581 [13CH3]Sc1ncnc2c1CC(=O)N2 62a_200025704644_100000094081 [0,1,0,1,0,1|1,0,0]=4 2073 B13R2.542 CC(=O)Cc1cc(on1)C2CC2 1458a_100000070787_100012002209 [0,2,0,1,0,0|1,0,0]=4 2074 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [1,0,1,0,1,0|0,0,1]=4 2075 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [1,0,1,0,1,0|0,0,1]=4 2076 B13R1.513 CC(=O)NN=Cc1ccc(cn1)C 4a_100000189765_100000050478 [0,0,0,0,0,3|1,0,0]=4 2077 B13R1.513 CC(=O)NN=Cc1cnc(cn1)C 4a_100000189765_100000685221 [0,0,0,0,0,3|1,0,0]=4 2078 B13R1.128 C=C(C)CCNCc1cc(on1)C 2230a_100000745230_100000730704 [0,0,0,0,0,3|1,0,0]=4 2079 B13R1.128 C=C(C)CCNCc1cc(on1)C 34a_100000745230_100000730704 [0,0,0,0,0,3|1,0,0]=4 2080 B13R1.128 CC(=CCNCc1cc(on1)C)C 2230a_100000745230_100000761012 [0,0,0,0,0,3|1,0,0]=4 2081 B13R1.128 CC(=CCNCc1cc(on1)C)C 270004a_100000718196_100011217994 [0,0,0,0,0,3|1,0,0]=4 2082 B13R1.128 CC(=CCNCc1cc(on1)C)C 34a_100000718196_100000199038 [0,0,0,0,0,3|1,0,0]=4 2083 B13R1.128 CC(=CCNCc1cc(on1)C)C 34a_100000745230_100000761012 [0,0,0,0,0,3|1,0,0]=4 2084 B13R1.128 CC(=O)CCCSc1cc(on1)C 62a_100000716708_100011215641 [0,0,0,0,0,3|1,0,0]=4 2085 B13R1.128 CC(=O)CCCSc1cc(on1)C 62a_100011215641_100000716708 [0,0,0,0,0,3|1,0,0]=4 2086 B13R1.128 CC(=O)CCOCc1cc(on1)C 34a_100000759926_100000199038 [0,0,0,0,0,3|1,0,0]=4 2087 B13R1.128 CC(=O)CCOCc1cc(on1)C 7a_100000759926_100000199038 [0,0,0,0,0,3|1,0,0]=4 2088 B13R1.128 CC(=O)CCSCc1cc(on1)C 62a_100000053229_100000199038 [0,0,0,0,0,3|1,0,0]=4 2089 B13R1.128 CC(=O)CCSCc1cc(on1)C 62a_100000199038_100000053229 [0,0,0,0,0,3|1,0,0]=4 2090 B13R1.128 CC(=O)NCCNc1noc(n1)C 27a_100000209853_100012003639 [0,0,0,0,0,3|1,0,0]=4 2091 B13R1.128 CC(=O)NCCSc1cc([nH]n1)C 62a_100000189650_100009819999 [0,0,0,0,0,3|1,0,0]=4 2092 B13R1.128 CC(=O)NCCSc1cc([nH]n1)C 62a_100009819999_100000189650 [0,0,0,0,0,3|1,0,0]=4 2093 B13R1.128 CC(=O)NCCSc1cc(on1)C 62a_100000189650_100000716708 [0,0,0,0,0,3|0,0,0]=3 2094 B13R1.128 CC(=O)NCCSc1cc(on1)C 62a_100000716708_100000189650 [0,0,0,0,0,3|0,0,0]=3 2095 B13R1.128 CC(=O)NCCSc1noc(n1)C 62a_100000189650_100012003639 [0,0,0,0,0,3|1,0,0]=4 2096 B13R1.128 CC(=O)NCCSc1noc(n1)C 62a_100012003639_100000189650 [0,0,0,0,0,3|1,0,0]=4 2097 B13R1.128 CC(=O)OCCSc1cc(on1)C 62a_100000716708_100009814007 [0,0,0,0,0,3|1,0,0]=4 2098 B13R1.128 CC(=O)OCCSc1cc(on1)C 62a_100009814007_100000716708 [0,0,0,0,0,3|1,0,0]=4 2099 B13R1.128 CC(=O)OCNCc1cc(on1)C 34a_100000745230_100009813279 [0,0,0,0,0,3|0,0,0]=3 2100 B13R1.128 CC(=O)OCOCc1cc(on1)C 34a_100011216401_100009813279 [0,0,0,0,0,3|1,0,0]=4 2101 B13R1.128 CC(=O)OCSCc1cc(on1)C 62a_100000076356_100000199038 [0,0,0,0,0,3|1,0,0]=4 2102 B13R1.128 CC(=O)OCSCc1cc(on1)C 62a_100000199038_100000076356 [0,0,0,0,0,3|1,0,0]=4 2103 B13R1.128 Cc1cc(no1)CNCCC(=O)N 207a_100000740010_100011217994 [0,0,0,0,0,3|1,0,0]=4 2104 B13R1.128 Cc1cc(no1)CNCCC(=O)N 2230a_100000745230_100000744528 [0,0,0,0,0,3|1,0,0]=4 2105 B13R1.128 Cc1cc(no1)CNCCC(=O)N 34a_100000745230_100000731001 [0,0,0,0,0,3|1,0,0]=4 2106 B13R1.128 Cc1cc(no1)CNOCC(=O)O 269956a_100000106656_100000199038 [0,0,0,0,0,3|1,0,0]=4 2107 B13R1.128 Cc1cc(no1)SCCNC(=O)N 62a_100000716708_200000034859 [0,0,0,0,0,3|1,0,0]=4 2108 B13R1.128 Cc1cc(no1)SCCNC(=O)N 62a_200000034859_100000716708 [0,0,0,0,0,3|1,0,0]=4 2109 B13R1.149 CC(=O)NN=Cc1cc(ccn1)C 4a_100000189765_100011361488 [0,0,0,0,0,3|1,0,0]=4 2110 B13R1.149 CC(=O)NN=Cc1cncc(c1)C 4a_100000189765_100011998712 [0,0,0,0,0,3|1,0,0]=4