0 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,0,0,0,0,0|1,0,3]=4 13 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,0,0,0,0,0|1,0,3]=4 14 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,0,0,0,0,0|1,0,1]=2 16 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [0,0,0,0,0,0|3,0,1]=4 21 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,0,0,0,0,0|2,0,2]=4 30 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,0,0,0,0,0|4,0,0]=4 36 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,0,0,0,0,0|2,0,2]=4 56 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [0,0,0,0,0,0|4,0,0]=4 70 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [0,0,0,0,0,0|4,0,0]=4 73 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [0,0,0,0,0,0|4,0,0]=4 83 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [0,0,0,0,0,0|4,0,0]=4 88 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,0,0,0,0,0|4,0,0]=4 89 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,0,0,0,0,0|4,0,0]=4 92 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,0,0,0,0,0|0,0,2]=2 93 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [0,0,0,0,0,0|1,0,0]=1 94 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,0,0,0,0,0|2,0,1]=3 95 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,0,0,0,0,0|0,0,4]=4 96 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,0,0,0,0,0|0,0,2]=2 97 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,0,0,0,0,0|1,0,3]=4 98 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,0,0,0,0,0|1,0,3]=4 99 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,0,0,0,0,0|1,0,3]=4 100 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,0,0,0,0,0|1,0,3]=4 101 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,0,0,0,0,0|1,0,1]=2 102 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,0,0,0,0,0|4,0,0]=4 106 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,0,0,0,0,0|1,0,2]=4 107 B10R1.1 C=C=Cc1ccc(cc1)O 271570a_100015277604_100000185759 [1,0,0,0,0,0|1,0,2]=4 108 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,0,0,0,0,0|1,0,2]=4 109 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,0,0,0,0,0|1,0,1]=3 110 B10R1.1 CCNc1ccc(cc1)O 271570a_203496583355_100000219632 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.1 CCNc1ccc(cc1)O 34a_100000185829_100000210202 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.1 CCOc1ccc(cc1)O 271570a_203496583355_100000169946 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.1 CCSc1ccc(cc1)O 271570a_203496583355_200009811893 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.1 CCSc1ccc(cc1)O 62a_100000210202_100000185759 [1,0,0,0,0,0|2,0,1]=4 115 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,0,0,0,0,0|3,0,0]=4 135 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,0,0,0,0,0|2,0,0]=3 152 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,0,0,0,0,0|2,0,0]=3 153 B10R1.1 CNCc1ccc(nc1)O 207a_100102657272_100011361521 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.1 CNCc1ccc(nc1)O 2230a_100000757128_200000210301 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.1 CNCc1ccc(nc1)O 271570a_203496583355_100000026953 [1,0,0,0,0,0|3,0,0]=4 156 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.1 CSCc1ccc(nc1)O 271570a_203496583355_100000753673 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,0,0,0,0,0|0,0,0]=1 190 B10R1.1 N#CCc1ccc(cn1)O 271570a_203496583355_100011824422 [1,0,0,0,0,0|1,0,0]=2 191 B10R1.1 N#CCc1ccc(nc1)O 271570a_203496583355_100000703598 [1,0,0,0,0,0|1,0,0]=2 192 B10R1.1 N#CNc1ccc(cc1)O 271570a_203496583355_100011685341 [1,0,0,0,0,0|1,0,0]=2 193 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,0,0,0,0,0|0,0,2]=3 194 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,0,0,0,0,0|1,0,1]=3 195 B10R1.1 NNCc1ccc(nc1)O 271570a_203496583355_106726394036 [1,0,0,0,0,0|2,0,1]=4 196 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,0,0,0,0,0|1,0,1]=3 197 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,0,0,0,0,0|1,0,1]=3 198 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [1,0,0,0,0,0|2,0,1]=4 199 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [1,0,0,0,0,0|2,0,1]=4 200 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,0,0,0,0,0|1,0,2]=4 201 B10R1.1 Oc1ccc(cc1)NCF 34a_100000185829_100015361967 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.1 Oc1ccc(cc1)SCF 62a_100015361967_100000185759 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,0,0,0,0,0|2,0,0]=3 212 B10R1.1 [13CH3]NCc1ccc(nc1)O 2230a_100000757128_200025704644 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.1 [N-]=[N+]=Nc1ccc(cc1)O 271570a_203496583355_100000735661 [1,0,0,0,0,0|2,0,1]=4 230 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,0,0|1,0,2]=4 231 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,0,0|1,0,2]=4 232 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,0|0,0,3]=4 233 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,0|0,0,3]=4 234 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,0,0,0,0,0|1,0,1]=3 235 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [1,0,0,0,0,0|2,0,1]=4 236 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [1,0,0,0,0,0|2,0,1]=4 237 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|0,0,1]=2 239 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,0,0,0,0,0|1,0,1]=3 240 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,0,0,0,0,0|1,0,1]=3 241 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,0,0,0,0,0|2,0,1]=4 242 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,0,0,0,0,0|2,0,1]=4 243 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,0,0,0,0,0|2,0,1]=4 244 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,0,0,0,0,0|2,0,1]=4 245 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,0,0,0,0,0|2,0,1]=4 246 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,0,0|1,0,2]=4 247 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,0,0,0,0,0|1,0,1]=3 248 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,0,0,0,0,0|1,0,1]=3 249 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [1,0,0,0,0,0|2,0,1]=4 250 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,0,0|0,0,3]=4 251 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,0,0,0,0|2,0,0]=3 252 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,0,0,0,0,0|2,0,0]=3 255 B10R1.13 Oc1ccc(cn1)C(F)F 271570a_203496583355_100000720607 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.13 Oc1ccc(nc1)C(F)F 271570a_203496583355_100010253924 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,0|0,0,3]=4 258 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,0,0,0,0|3,0,0]=4 273 B12R1.5 C=Cc1ccc(cc1)C(=O)C#N 271570a_100011290941_100009994572 [0,1,0,0,0,0|1,0,2]=4 274 B12R1.5 C=Cc1ccc(cc1)C(C)C#N 271570a_100011290941_100000695319 [0,1,0,0,0,0|2,0,0]=3 275 B12R1.5 C=Cc1ccc(cc1)C(N)C#N 271570a_100011290941_106722365845 [0,1,0,0,0,0|2,0,0]=3 276 B12R1.5 C=Cc1ccc(cc1)C(O)CC 271570a_100011290941_100000246506 [0,1,0,0,0,0|2,0,1]=4 277 B12R1.5 C=Cc1ccc(cc1)C(O)CN 271570a_100011290941_100020626992 [0,1,0,0,0,0|1,0,2]=4 278 B12R1.5 C=Cc1ccc(cc1)C(O)CO 271570a_100011290941_200012355997 [0,1,0,0,0,0|2,0,1]=4 279 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 34a_100000069498_200025704644 [0,1,0,0,0,0|2,0,0]=3 280 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 7a_100000069498_200025704644 [0,1,0,0,0,0|2,0,0]=3 281 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_100000695319_200025704644 [0,1,0,0,0,0|1,1,0]=3 282 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000695319 [0,1,0,0,0,0|1,1,0]=3 283 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,1,0,0,0,0|1,0,2]=4 284 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,1,0,0,0,0|2,0,1]=4 285 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,1,0,0,0,0|2,0,1]=4 286 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,1,0,0,0,0|2,0,1]=4 287 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,1,0,0,0,0|2,0,1]=4 288 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [0,1,0,0,0,0|2,0,1]=4 289 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [0,1,0,0,0,0|2,0,1]=4 290 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [0,1,0,0,0,0|1,1,1]=4 291 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [0,1,0,0,0,0|1,1,1]=4 292 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [0,1,0,0,0,0|1,1,1]=4 293 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [0,1,0,0,0,0|1,1,1]=4 294 B12R1.5 CNC(C)c1ccc(cc1)CO 269862a_106832991636_100000082505 [0,1,0,0,0,0|3,0,0]=4 295 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,1,0,0,0,0|3,0,0]=4 296 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,1,0,0,0,0|3,0,0]=4 297 B12R1.5 CNc1ccc(cc1)C(C)C#N 34a_100000069498_200000210301 [0,1,0,0,0,0|2,0,0]=3 298 B12R1.5 CNc1ccc(cc1)C(C)C#N 7a_100000069498_200000210301 [0,1,0,0,0,0|2,0,0]=3 299 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,1,0,0,0,0|3,0,0]=4 300 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,1,0,0,0,0|3,0,0]=4 301 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,1,0,0,0,0|1,0,2]=4 302 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,1,0,0,0,0|3,0,0]=4 303 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,1,0,0,0,0|3,0,0]=4 304 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,1,0,0,0,0|3,0,0]=4 305 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,1,0,0,0,0|3,0,0]=4 306 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,1,0,0,0,0|3,0,0]=4 307 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,1,0,0,0,0|3,0,0]=4 308 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,1,0,0,0,0|0,0,2]=3 309 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,1,0,0,0,0|3,0,0]=4 310 B12R1.5 CSc1ccc(cc1)C(=O)C#N 62a_200000210301_100009994572 [0,1,0,0,0,0|0,1,2]=4 311 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_100000695319_200000210301 [0,1,0,0,0,0|1,1,0]=3 312 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_200000210301_100000695319 [0,1,0,0,0,0|1,1,0]=3 313 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_106722365845_200000210301 [0,1,0,0,0,0|1,1,0]=3 314 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_200000210301_106722365845 [0,1,0,0,0,0|1,1,0]=3 315 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [0,1,0,0,0,0|0,1,2]=4 316 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [0,1,0,0,0,0|0,1,2]=4 317 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [0,1,0,0,0,0|1,1,1]=4 318 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [0,1,0,0,0,0|1,1,1]=4 319 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,1,0,0,0,0|0,0,2]=3 320 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C#N 62a_200025704644_100009994572 [0,1,0,0,0,0|0,1,2]=4 321 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_106722365845_200025704644 [0,1,0,0,0,0|1,1,0]=3 322 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_200025704644_106722365845 [0,1,0,0,0,0|1,1,0]=3 323 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [0,1,0,0,0,0|0,1,2]=4 324 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [0,1,0,0,0,0|0,1,2]=4 325 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [0,1,0,0,0,0|1,1,1]=4 326 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [0,1,0,0,0,0|1,1,1]=4 327 B12R1.9 CC(C)(C#N)c1ccc(cc1)O 271570a_203496583355_100000740055 [0,1,0,0,0,0|1,0,0]=2 328 B12R1.9 CC(C)(C#N)c1ccc(cn1)O 271570a_203496583355_100012353963 [0,1,0,0,0,0|2,0,0]=3 329 B12R1.9 CC(C)(C=O)c1ccc(cc1)O 271570a_203496583355_100010228009 [0,1,0,0,0,0|2,0,1]=4 330 B12R1.9 CCC(F)(F)c1ccc(cc1)O 271570a_203496583355_100010208532 [0,1,0,0,0,0|2,0,1]=4 331 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 34a_100011470666_200000210301 [0,1,0,0,0,0|2,0,0]=3 332 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 7a_100011470666_200000210301 [0,1,0,0,0,0|2,0,0]=3 333 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 34a_100011470666_200025704644 [0,1,0,0,0,0|2,0,0]=3 334 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 7a_100011470666_200025704644 [0,1,0,0,0,0|2,0,0]=3 335 B12R1.12 CCC(NC)c1ccc(cc1)O 271570a_203496583355_100000231127 [0,1,0,0,0,0|2,0,1]=4 336 B12R1.12 CCC(NC)c1ccc(cc1)O 34a_100015187210_200000210301 [0,1,0,0,0,0|2,0,1]=4 337 B12R1.12 CCC(N[13CH3])c1ccc(cc1)O 34a_100015187210_200025704644 [0,1,0,0,0,0|2,0,1]=4 338 B12R1.12 CCC(OC)c1ccc(cc1)Br 34a_100000246506_200000210301 [0,1,0,0,0,0|2,0,1]=4 339 B12R1.12 CCC(OC)c1ccc(cc1)Br 7a_100000246506_200000210301 [0,1,0,0,0,0|2,0,1]=4 340 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [0,1,0,0,0,0|2,0,1]=4 341 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [0,1,0,0,0,0|2,0,1]=4 342 B12R1.12 CCC(OC)c1ccc(cc1)Cl 34a_100000246471_200000210301 [0,1,0,0,0,0|2,0,1]=4 343 B12R1.12 CCC(OC)c1ccc(cc1)Cl 7a_100000246471_200000210301 [0,1,0,0,0,0|2,0,1]=4 344 B12R1.12 CCC(OC)c1ccc(cc1)F 34a_100000246474_200000210301 [0,1,0,0,0,0|2,0,1]=4 345 B12R1.12 CCC(OC)c1ccc(cc1)F 7a_100000246474_200000210301 [0,1,0,0,0,0|2,0,1]=4 346 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 34a_100000246506_200025704644 [0,1,0,0,0,0|2,0,1]=4 347 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 7a_100000246506_200025704644 [0,1,0,0,0,0|2,0,1]=4 348 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [0,1,0,0,0,0|2,0,1]=4 349 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [0,1,0,0,0,0|2,0,1]=4 350 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 34a_100000246471_200025704644 [0,1,0,0,0,0|2,0,1]=4 351 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 7a_100000246471_200025704644 [0,1,0,0,0,0|2,0,1]=4 352 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 34a_100000246474_200025704644 [0,1,0,0,0,0|2,0,1]=4 353 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 7a_100000246474_200025704644 [0,1,0,0,0,0|2,0,1]=4 354 B12R1.12 CNC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200000210301 [0,1,0,0,0,0|2,0,0]=3 355 B12R1.12 CNC(C#N)c1ccc(cc1)F 2230a_100020612109_200000210301 [0,1,0,0,0,0|2,0,0]=3 356 B12R1.12 CNC(C#N)c1ccc(cc1)F 34a_100020612109_200000210301 [0,1,0,0,0,0|2,0,0]=3 357 B12R1.12 CNC(CO)c1ccc(cc1)Br 2230a_100000734186_200000210301 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.12 CNC(CO)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.12 CNC(CO)c1ccc(cc1)F 2230a_100000705410_200000210301 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.12 CNC(CO)c1ccc(cc1)F 34a_100000705410_200000210301 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_200000210301 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_200000210301 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200000210301 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.12 COC(CCl)c1ccc(cc1)Cl 34a_200011996143_200000210301 [0,1,0,0,0,0|2,0,1]=4 366 B12R1.12 COC(CCl)c1ccc(cc1)Cl 7a_200011996143_200000210301 [0,1,0,0,0,0|2,0,1]=4 367 B12R1.12 COC(CN)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,1,0,0,0,0|1,0,2]=4 368 B12R1.12 COC(CN)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,1,0,0,0,0|1,0,2]=4 369 B12R1.12 COC(OC)c1ccc(cc1)O 271570a_203496583355_100009813454 [0,1,0,0,0,0|2,0,0]=3 370 B12R1.12 COC(OC)c1ccc(cn1)O 271570a_203496583355_100010270258 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_200000210301 [0,1,0,0,0,0|1,0,0]=2 372 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_200000210301 [0,1,0,0,0,0|1,0,0]=2 373 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200000210301 [0,1,0,0,0,0|2,0,1]=4 374 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200000210301 [0,1,0,0,0,0|2,0,1]=4 375 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 34a_200009814964_200025704644 [0,1,0,0,0,0|1,0,0]=2 376 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 7a_200009814964_200025704644 [0,1,0,0,0,0|1,0,0]=2 377 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 2230a_100009818840_200025704644 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 34a_100009818840_200025704644 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200025704644 [0,1,0,0,0,0|2,0,0]=3 380 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 2230a_100020612109_200025704644 [0,1,0,0,0,0|2,0,0]=3 381 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 34a_100020612109_200025704644 [0,1,0,0,0,0|2,0,0]=3 382 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 2230a_100000734186_200025704644 [0,1,0,0,0,0|3,0,0]=4 383 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,1,0,0,0,0|3,0,0]=4 384 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 2230a_100000705410_200025704644 [0,1,0,0,0,0|3,0,0]=4 385 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 34a_100000705410_200025704644 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200025704644 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 34a_200011996143_200025704644 [0,1,0,0,0,0|2,0,1]=4 389 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 7a_200011996143_200025704644 [0,1,0,0,0,0|2,0,1]=4 390 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,1,0,0,0,0|1,0,2]=4 391 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,1,0,0,0,0|1,0,2]=4 392 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200025704644 [0,1,0,0,0,0|2,0,1]=4 393 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200025704644 [0,1,0,0,0,0|2,0,1]=4 394 B12R1.16 C#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000184674 [0,1,0,0,0,0|1,0,2]=4 395 B12R1.16 C#CCN(C)c1ccc(cc1)O 34a_100000182112_100000184674 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,1,0,0,0,0|1,0,1]=3 397 B12R1.16 CC#CC(=O)c1ccc(cc1)O 271570a_203496583355_100153741113 [0,1,0,0,0,0|1,0,2]=4 398 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [0,1,0,0,0,0|1,0,2]=4 399 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,1,0,0,0,0|1,0,1]=3 400 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,1,0,0,0,0|2,0,1]=4 401 B12R1.16 CN(CC#N)c1ccc(cc1)Br 2230a_100000219623_100011215382 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.16 CN(CC#N)c1ccc(cc1)Br 269982a_100000219623_100011214920 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.16 CN(CC#N)c1ccc(cc1)Cl 2230a_100020629279_100011215382 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.16 CN(CC#N)c1ccc(cc1)Cl 269982a_100020629279_100011214920 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.16 CN(CC#N)c1ccc(cc1)F 2230a_100000219829_100011215382 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.16 CN(CC#N)c1ccc(cc1)F 2230a_100011199736_200000210301 [0,1,0,0,0,0|3,0,0]=4 407 B12R1.16 CN(CC#N)c1ccc(cc1)F 269982a_100000219829_100011214920 [0,1,0,0,0,0|3,0,0]=4 408 B12R1.16 CN(CC#N)c1ccc(cc1)F 34a_100011199736_200000210301 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.16 CN(CC#N)c1ccc(cc1)I 2230a_100000743151_100011215382 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.16 CN(CC#N)c1ccc(cc1)I 269982a_100000743151_100011214920 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.16 CN(CC#N)c1ccc(cc1)O 269982a_100000182112_100011214920 [0,1,0,0,0,0|2,0,0]=3 412 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [0,1,0,0,0,0|1,0,2]=4 413 B12R1.16 CNCC(O)c1ccc(cc1)Br 2230a_100020626992_200000210301 [0,1,0,0,0,0|1,0,2]=4 414 B12R1.16 CNCC(O)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,1,0,0,0,0|1,0,2]=4 415 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [0,1,0,0,0,0|1,0,2]=4 416 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [0,1,0,0,0,0|1,0,2]=4 417 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_100000736658_200000210301 [0,1,0,0,0,0|1,0,2]=4 418 B12R1.16 CNCC(O)c1ccc(cc1)Cl 2230a_106832991635_200011996143 [0,1,0,0,0,0|1,0,2]=4 419 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,1,0,0,0,0|1,0,2]=4 420 B12R1.16 CNCC(O)c1ccc(cc1)Cl 34a_100102657272_200011996143 [0,1,0,0,0,0|1,0,2]=4 421 B12R1.16 CNCC(O)c1ccc(cc1)Cl 7a_106832991635_200011996143 [0,1,0,0,0,0|1,0,2]=4 422 B12R1.16 CNCC(O)c1ccc(cc1)O 34a_100000067596_200000210301 [0,1,0,0,0,0|0,0,2]=3 423 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 2230a_106832991635_100000720402 [0,1,0,0,0,0|1,0,2]=4 424 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 34a_100102657272_100000720402 [0,1,0,0,0,0|1,0,2]=4 425 B12R1.16 CNC[C@H](O)c1ccc(cc1)F 7a_106832991635_100000720402 [0,1,0,0,0,0|1,0,2]=4 426 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [0,1,0,0,0,0|2,0,1]=4 427 B12R1.16 COC[C@H](O)c1ccc(cc1)F 34a_100138415774_100000720402 [0,1,0,0,0,0|2,0,1]=4 428 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200000210301_200011996143 [0,1,0,0,0,0|2,0,1]=4 429 B12R1.16 CSCC(O)c1ccc(cc1)Cl 62a_200011996143_200000210301 [0,1,0,0,0,0|2,0,1]=4 430 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_100000720402_200000210301 [0,1,0,0,0,0|2,0,1]=4 431 B12R1.16 CSC[C@H](O)c1ccc(cc1)F 62a_200000210301_100000720402 [0,1,0,0,0,0|2,0,1]=4 432 B12R1.16 Cc1ccc(cc1)C(=O)CC#N 1458a_100000188618_100011214920 [0,1,0,0,0,0|1,0,2]=4 433 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [0,1,0,0,0,0|1,0,2]=4 434 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [0,1,0,0,0,0|1,0,2]=4 435 B12R1.16 Cc1ccc(cc1)N(C)CC#N 2230a_100000219977_100011215382 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.16 Cc1ccc(cc1)N(C)CC#N 269982a_100000219977_100011214920 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.16 N#CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011214920 [0,1,0,0,0,0|1,0,2]=4 438 B12R1.16 N#CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011214920 [0,1,0,0,0,0|1,0,2]=4 439 B12R1.16 N#CCC(=O)c1ccc(cc1)F 1458a_100000187176_100011214920 [0,1,0,0,0,0|1,0,2]=4 440 B12R1.16 N#CCC(=O)c1ccc(cc1)I 1458a_100000187904_100011214920 [0,1,0,0,0,0|1,0,2]=4 441 B12R1.16 N#CCC(=O)c1ccc(cc1)O 1458a_100000212099_100011214920 [0,1,0,0,0,0|0,0,2]=3 442 B12R1.16 N#CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000740217 [0,1,0,0,0,0|0,0,2]=3 443 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,1,0,0,0,0|2,0,1]=4 444 B12R1.16 [13CH3]N(CC#N)c1ccc(cc1)F 2230a_100011199736_200025704644 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.16 [13CH3]N(CC#N)c1ccc(cc1)F 34a_100011199736_200025704644 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 2230a_100020626992_200025704644 [0,1,0,0,0,0|1,0,2]=4 447 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,1,0,0,0,0|1,0,2]=4 448 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200025704644 [0,1,0,0,0,0|1,0,2]=4 449 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,1,0,0,0,0|1,0,2]=4 450 B12R1.16 [13CH3]NCC(O)c1ccc(cc1)O 34a_100000067596_200025704644 [0,1,0,0,0,0|0,0,2]=3 451 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200011996143_200025704644 [0,1,0,0,0,0|2,0,1]=4 452 B12R1.16 [13CH3]SCC(O)c1ccc(cc1)Cl 62a_200025704644_200011996143 [0,1,0,0,0,0|2,0,1]=4 453 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200025704644 [0,1,0,0,0,0|2,0,1]=4 454 B12R1.16 [13CH3]SC[C@H](O)c1ccc(cc1)F 62a_200025704644_100000720402 [0,1,0,0,0,0|2,0,1]=4 455 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,0,0,0,0|2,0,1]=4 456 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,1,0,0,0,0|2,0,1]=4 457 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,1,0,0,0,0|2,0,1]=4 458 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,0,0,0,0|1,0,1]=3 459 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,0,0,0,0|2,0,1]=4 462 B12R1.20 CC(C)[C@H](N)c1ccc(cc1)O 271570a_203496583355_100102422763 [0,1,0,0,0,0|2,0,1]=4 463 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,1,0,0,0,0|2,0,1]=4 464 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,1,0,0,0,0|2,0,1]=4 465 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,1,0,0,0,0|2,0,1]=4 466 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,0,0,0,0|1,0,1]=3 467 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,1,0,0,0,0|2,0,1]=4 468 B12R1.367 CNC(C)c1ccc(c(c1)Br)O 269862a_106832991636_100011772453 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.367 CNC(C)c1ccc(c(c1)Cl)O 269862a_106832991636_100000188625 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.367 CNC(C)c1ccc(c(c1)F)O 269862a_106832991636_100000751691 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.1703 Cc1cc(ccc1[C@H](N)CO)O 271570a_203496583355_100138412551 [0,1,0,0,0,0|2,0,1]=4 473 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [0,0,0,1,0,0|1,0,2]=4 474 B12R2.290 NC1(CC1)c2ccc(cc2)O 271570a_203496583355_100000742681 [0,0,0,1,0,0|2,0,1]=4 475 B12R2.612 NC1CCc2c1ccc(c2)O 271570a_203496583355_100000744021 [0,0,0,1,0,0|2,0,1]=4 476 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,0,0,1,0,0|2,0,1]=4 477 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,0,0,1,0,0|1,0,1]=3 478 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [0,0,0,1,0,0|2,0,1]=4 479 B12R2.2302 Oc1ccc(cc1)C2CCC2 271570a_203496583355_200010114027 [0,0,0,1,0,0|2,0,1]=4 480 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [0,0,0,1,0,0|2,0,1]=4 481 B12R1.49 C#CC(C)Nc1ccc(cc1)Br 34a_100000210018_200000035995 [0,0,0,0,0,1|3,0,0]=4 482 B12R1.49 C#CC(C)Nc1ccc(cc1)C 34a_100000124888_200000035995 [0,0,0,0,0,1|3,0,0]=4 483 B12R1.49 C#CC(C)Nc1ccc(cc1)Cl 34a_100000210052_200000035995 [0,0,0,0,0,1|3,0,0]=4 484 B12R1.49 C#CC(C)Nc1ccc(cc1)F 34a_100000185862_200000035995 [0,0,0,0,0,1|3,0,0]=4 485 B12R1.49 C#CC(C)Nc1ccc(cc1)I 34a_100000185761_200000035995 [0,0,0,0,0,1|3,0,0]=4 486 B12R1.49 C#CC(C)Nc1ccc(cc1)O 34a_100000185829_200000035995 [0,0,0,0,0,1|2,0,0]=3 487 B12R1.49 C#CC(C)Oc1ccc(cc1)Br 34a_100000185759_200000035995 [0,0,0,0,0,1|3,0,0]=4 488 B12R1.49 C#CC(C)Oc1ccc(cc1)C 34a_100000210336_200000035995 [0,0,0,0,0,1|3,0,0]=4 489 B12R1.49 C#CC(C)Oc1ccc(cc1)Cl 34a_100000210216_200000035995 [0,0,0,0,0,1|3,0,0]=4 490 B12R1.49 C#CC(C)Oc1ccc(cc1)F 34a_100000210339_200000035995 [0,0,0,0,0,1|3,0,0]=4 491 B12R1.49 C#CC(C)Oc1ccc(cc1)I 34a_100000212066_200000035995 [0,0,0,0,0,1|3,0,0]=4 492 B12R1.49 C#CC(C)Oc1ccc(cc1)N 34a_100000185829_200000035995 [0,0,0,0,0,1|3,0,0]=4 493 B12R1.49 C#CC(C)Sc1ccc(cc1)Br 62a_200000035995_100000752885 [0,0,0,0,0,1|3,0,0]=4 494 B12R1.49 C#CC(C)Sc1ccc(cc1)C 62a_200000035995_100000186775 [0,0,0,0,0,1|3,0,0]=4 495 B12R1.49 C#CC(C)Sc1ccc(cc1)Cl 62a_200000035995_100000755918 [0,0,0,0,0,1|3,0,0]=4 496 B12R1.49 C#CC(C)Sc1ccc(cc1)F 62a_200000035995_100000211213 [0,0,0,0,0,1|3,0,0]=4 497 B12R1.49 C#CC(C)Sc1ccc(cc1)N 62a_200000035995_100000185761 [0,0,0,0,0,1|3,0,0]=4 498 B12R1.49 C#CC(C)Sc1ccc(cc1)O 62a_200000035995_100000185759 [0,0,0,0,0,1|2,0,0]=3 499 B12R1.49 C#CC(C)Sc1ccc(cn1)O 62a_200000035995_100000744096 [0,0,0,0,0,1|3,0,0]=4 500 B12R1.49 C=CC(C)Sc1ccc(cc1)O 62a_100011215867_100000185759 [0,0,0,0,0,1|2,0,1]=4 501 B12R1.49 CC(=Cc1ccc(cc1)Br)C#N 6a_100000186029_200000212204 [0,0,0,0,0,1|2,0,1]=4 502 B12R1.49 CC(=Cc1ccc(cc1)F)C#N 6a_100000210084_200000212204 [0,0,0,0,0,1|2,0,1]=4 503 B12R1.49 CC(=Cc1ccc(cc1)I)C#N 6a_100000188517_200000212204 [0,0,0,0,0,1|2,0,1]=4 504 B12R1.49 CC(C#N)Nc1ccc(cc1)Br 2230a_100000210018_100000184139 [0,0,0,0,0,1|2,0,0]=3 505 B12R1.49 CC(C#N)Nc1ccc(cc1)Cl 2230a_100000210052_100000184139 [0,0,0,0,0,1|2,0,0]=3 506 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 7a_100000185759_100000703298 [0,0,0,0,0,1|2,0,0]=3 507 B12R1.49 CC(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100000703298 [0,0,0,0,0,1|2,0,0]=3 508 B12R1.49 CC(C#N)Oc1ccc(cc1)I 7a_100000212066_100000703298 [0,0,0,0,0,1|2,0,0]=3 509 B12R1.49 CC(C#N)Oc1ccc(nc1)Br 7a_100000685995_100000703298 [0,0,0,0,0,1|3,0,0]=4 510 B12R1.49 CC(C#N)Oc1ccc(nc1)Cl 7a_100000744096_100000703298 [0,0,0,0,0,1|3,0,0]=4 511 B12R1.49 CC(C#N)Oc1ccc(nc1)F 7a_100000688820_100000703298 [0,0,0,0,0,1|3,0,0]=4 512 B12R1.49 CC(C#N)Oc1ccc(nc1)I 7a_100000687607_100000703298 [0,0,0,0,0,1|3,0,0]=4 513 B12R1.49 CC(C#N)Oc1ccc(nc1)N 7a_100015188713_100000703298 [0,0,0,0,0,1|3,0,0]=4 514 B12R1.49 CC(C#N)Sc1cc[n+](cc1)[O-] 62a_100000703298_100000039755 [0,0,0,0,0,1|2,0,1]=4 515 B12R1.49 CC(C#N)Sc1ccc(=O)[nH]c1 62a_100000212171_100000703298 [0,0,0,0,0,1|2,0,1]=4 516 B12R1.49 CC(C#N)Sc1ccc(=O)[nH]c1 62a_100000703298_100000212171 [0,0,0,0,0,1|2,0,1]=4 517 B12R1.49 CC(C#N)Sc1ccc(cc1)Br 62a_100000703298_100000752885 [0,0,0,0,0,1|2,0,0]=3 518 B12R1.49 CC(C#N)Sc1ccc(cc1)Br 62a_100000752885_100000703298 [0,0,0,0,0,1|2,0,0]=3 519 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000703298_100000755918 [0,0,0,0,0,1|2,0,0]=3 520 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000755918_100000703298 [0,0,0,0,0,1|2,0,0]=3 521 B12R1.49 CC(C#N)Sc1ccc(cc1)F 62a_100000211213_100000703298 [0,0,0,0,0,1|2,0,0]=3 522 B12R1.49 CC(C#N)Sc1ccc(cc1)F 62a_100000703298_100000211213 [0,0,0,0,0,1|2,0,0]=3 523 B12R1.49 CC(C#N)Sc1ccc(cc1)N 62a_100000185761_100000703298 [0,0,0,0,0,1|2,0,0]=3 524 B12R1.49 CC(C#N)Sc1ccc(cc1)N 62a_100000703298_100000185761 [0,0,0,0,0,1|2,0,0]=3 525 B12R1.49 CC(C#N)Sc1ccc(cc1)O 62a_100000703298_100000185759 [0,0,0,0,0,1|1,0,0]=2 526 B12R1.49 CC(C#N)Sc1ccc(cn1)Br 62a_100000686858_100000703298 [0,0,0,0,0,1|3,0,0]=4 527 B12R1.49 CC(C#N)Sc1ccc(cn1)Br 62a_100000703298_100000686858 [0,0,0,0,0,1|3,0,0]=4 528 B12R1.49 CC(C#N)Sc1ccc(cn1)Cl 62a_100000703298_100011356976 [0,0,0,0,0,1|3,0,0]=4 529 B12R1.49 CC(C#N)Sc1ccc(cn1)Cl 62a_100011356976_100000703298 [0,0,0,0,0,1|3,0,0]=4 530 B12R1.49 CC(C#N)Sc1ccc(cn1)F 62a_100000703298_100000744514 [0,0,0,0,0,1|3,0,0]=4 531 B12R1.49 CC(C#N)Sc1ccc(cn1)F 62a_100000744514_100000703298 [0,0,0,0,0,1|3,0,0]=4 532 B12R1.49 CC(C#N)Sc1ccc(cn1)N 62a_100000703298_100000737798 [0,0,0,0,0,1|3,0,0]=4 533 B12R1.49 CC(C#N)Sc1ccc(cn1)N 62a_100000737798_100000703298 [0,0,0,0,0,1|3,0,0]=4 534 B12R1.49 CC(C#N)Sc1ccc(cn1)O 62a_100000685995_100000703298 [0,0,0,0,0,1|2,0,0]=3 535 B12R1.49 CC(C#N)Sc1ccc(cn1)O 62a_100000703298_100000744096 [0,0,0,0,0,1|2,0,0]=3 536 B12R1.49 CC(C#N)Sc1ccc(nc1)Br 62a_100000703298_100009814638 [0,0,0,0,0,1|3,0,0]=4 537 B12R1.49 CC(C#N)Sc1ccc(nc1)Br 62a_100009814638_100000703298 [0,0,0,0,0,1|3,0,0]=4 538 B12R1.49 CC(C#N)Sc1ccc(nc1)Cl 62a_100000034144_100000703298 [0,0,0,0,0,1|3,0,0]=4 539 B12R1.49 CC(C#N)Sc1ccc(nc1)Cl 62a_100000703298_100000034144 [0,0,0,0,0,1|3,0,0]=4 540 B12R1.49 CC(C#N)Sc1ccc(nc1)F 62a_100000042367_100000703298 [0,0,0,0,0,1|3,0,0]=4 541 B12R1.49 CC(C#N)Sc1ccc(nc1)F 62a_100000703298_100000042367 [0,0,0,0,0,1|3,0,0]=4 542 B12R1.49 CC(C#N)Sc1ccc(nc1)N 62a_100000187370_100000703298 [0,0,0,0,0,1|3,0,0]=4 543 B12R1.49 CC(C#N)Sc1ccc(nc1)N 62a_100000703298_100000187370 [0,0,0,0,0,1|3,0,0]=4 544 B12R1.49 CC(C#N)Sc1cnc(cn1)O 62a_100000703298_100015839800 [0,0,0,0,0,1|3,0,0]=4 545 B12R1.49 CC(C#N)Sc1cnc(cn1)O 62a_100011934580_100000703298 [0,0,0,0,0,1|3,0,0]=4 546 B12R1.49 CC(C#N)Sc1ncc(cn1)O 62a_100000703298_100000092845 [0,0,0,0,0,1|3,0,0]=4 547 B12R1.49 CC(C#N)Sc1ncc(cn1)O 62a_100000730009_100000703298 [0,0,0,0,0,1|3,0,0]=4 548 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,0,0,0,0,1|2,0,1]=4 549 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,0,0,0,0,1|2,0,1]=4 550 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,0,0,0,0,1|3,0,0]=4 551 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,0,0,0,0,1|3,0,0]=4 552 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [0,0,0,0,0,1|2,0,1]=4 553 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [0,0,0,0,0,1|2,0,1]=4 554 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,0,0,0,0,1|3,0,0]=4 555 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,0,0,0,0,1|3,0,0]=4 556 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,0,0,0,0,1|3,0,0]=4 557 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [0,0,0,0,0,1|3,0,0]=4 558 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,0,0,0,0,1|2,0,1]=4 559 B12R1.49 Cc1ccc(cc1)OC(C)C#N 7a_100000210336_100000703298 [0,0,0,0,0,1|2,0,0]=3 560 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000186775_100000703298 [0,0,0,0,0,1|2,0,0]=3 561 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000703298_100000186775 [0,0,0,0,0,1|2,0,0]=3 562 B12R1.49 Cc1ccc(cc1)SC(F)C#N 62a_100000186775_200000117898 [0,0,0,0,0,1|2,0,0]=3 563 B12R1.49 Cc1ccc(cc1)SC(F)C#N 62a_200000117898_100000186775 [0,0,0,0,0,1|2,0,0]=3 564 B12R1.49 Cc1ccc(cn1)OC(C)C#N 7a_100000745506_100000703298 [0,0,0,0,0,1|3,0,0]=4 565 B12R1.49 Cc1ccc(cn1)SC(C)C#N 62a_100000703298_100000751577 [0,0,0,0,0,1|3,0,0]=4 566 B12R1.49 Cc1ccc(cn1)SC(C)C#N 62a_100000751577_100000703298 [0,0,0,0,0,1|3,0,0]=4 567 B12R1.49 Cc1ccc(cn1)SC(F)C#N 62a_100000751577_200000117898 [0,0,0,0,0,1|3,0,0]=4 568 B12R1.49 Cc1ccc(cn1)SC(F)C#N 62a_200000117898_100000751577 [0,0,0,0,0,1|3,0,0]=4 569 B12R1.49 Cc1ccc(nc1)SC(C)C#N 62a_100000703298_100000754016 [0,0,0,0,0,1|3,0,0]=4 570 B12R1.49 Cc1ccc(nc1)SC(C)C#N 62a_100011192072_100000703298 [0,0,0,0,0,1|3,0,0]=4 571 B12R1.49 Cc1ccc(nc1)SC(F)C#N 62a_100011192072_200000117898 [0,0,0,0,0,1|3,0,0]=4 572 B12R1.49 Cc1ccc(nc1)SC(F)C#N 62a_200000117898_100000754016 [0,0,0,0,0,1|3,0,0]=4 573 B12R1.49 N#CC(=Cc1ccc(cc1)Br)F 6a_100000186029_200000032654 [0,0,0,0,0,1|2,0,1]=4 574 B12R1.49 N#CC(=Cc1ccc(cc1)F)F 6a_100000210084_200000032654 [0,0,0,0,0,1|2,0,1]=4 575 B12R1.49 N#CC(=Cc1ccc(cc1)I)F 6a_100000188517_200000032654 [0,0,0,0,0,1|2,0,1]=4 576 B12R1.49 N#CC(F)Sc1cc[n+](cc1)[O-] 62a_200000117898_100000039755 [0,0,0,0,0,1|2,0,1]=4 577 B12R1.49 N#CC(F)Sc1ccc(=O)[nH]c1 62a_100000212171_200000117898 [0,0,0,0,0,1|2,0,1]=4 578 B12R1.49 N#CC(F)Sc1ccc(=O)[nH]c1 62a_200000117898_100000212171 [0,0,0,0,0,1|2,0,1]=4 579 B12R1.49 N#CC(F)Sc1ccc(cc1)Br 62a_100000752885_200000117898 [0,0,0,0,0,1|2,0,0]=3 580 B12R1.49 N#CC(F)Sc1ccc(cc1)Br 62a_200000117898_100000752885 [0,0,0,0,0,1|2,0,0]=3 581 B12R1.49 N#CC(F)Sc1ccc(cc1)Cl 62a_100000755918_200000117898 [0,0,0,0,0,1|2,0,0]=3 582 B12R1.49 N#CC(F)Sc1ccc(cc1)Cl 62a_200000117898_100000755918 [0,0,0,0,0,1|2,0,0]=3 583 B12R1.49 N#CC(F)Sc1ccc(cc1)F 62a_100000211213_200000117898 [0,0,0,0,0,1|2,0,0]=3 584 B12R1.49 N#CC(F)Sc1ccc(cc1)F 62a_200000117898_100000211213 [0,0,0,0,0,1|2,0,0]=3 585 B12R1.49 N#CC(F)Sc1ccc(cc1)N 62a_100000185761_200000117898 [0,0,0,0,0,1|2,0,0]=3 586 B12R1.49 N#CC(F)Sc1ccc(cc1)N 62a_200000117898_100000185761 [0,0,0,0,0,1|2,0,0]=3 587 B12R1.49 N#CC(F)Sc1ccc(cc1)O 62a_200000117898_100000185759 [0,0,0,0,0,1|1,0,0]=2 588 B12R1.49 N#CC(F)Sc1ccc(cn1)Br 62a_100000686858_200000117898 [0,0,0,0,0,1|3,0,0]=4 589 B12R1.49 N#CC(F)Sc1ccc(cn1)Br 62a_200000117898_100000686858 [0,0,0,0,0,1|3,0,0]=4 590 B12R1.49 N#CC(F)Sc1ccc(cn1)Cl 62a_100011356976_200000117898 [0,0,0,0,0,1|3,0,0]=4 591 B12R1.49 N#CC(F)Sc1ccc(cn1)Cl 62a_200000117898_100011356976 [0,0,0,0,0,1|3,0,0]=4 592 B12R1.49 N#CC(F)Sc1ccc(cn1)F 62a_100000744514_200000117898 [0,0,0,0,0,1|3,0,0]=4 593 B12R1.49 N#CC(F)Sc1ccc(cn1)F 62a_200000117898_100000744514 [0,0,0,0,0,1|3,0,0]=4 594 B12R1.49 N#CC(F)Sc1ccc(cn1)N 62a_100000737798_200000117898 [0,0,0,0,0,1|3,0,0]=4 595 B12R1.49 N#CC(F)Sc1ccc(cn1)N 62a_200000117898_100000737798 [0,0,0,0,0,1|3,0,0]=4 596 B12R1.49 N#CC(F)Sc1ccc(cn1)O 62a_100000685995_200000117898 [0,0,0,0,0,1|2,0,0]=3 597 B12R1.49 N#CC(F)Sc1ccc(cn1)O 62a_200000117898_100000744096 [0,0,0,0,0,1|2,0,0]=3 598 B12R1.49 N#CC(F)Sc1ccc(nc1)Br 62a_100009814638_200000117898 [0,0,0,0,0,1|3,0,0]=4 599 B12R1.49 N#CC(F)Sc1ccc(nc1)Br 62a_200000117898_100009814638 [0,0,0,0,0,1|3,0,0]=4 600 B12R1.49 N#CC(F)Sc1ccc(nc1)Cl 62a_100000034144_200000117898 [0,0,0,0,0,1|3,0,0]=4 601 B12R1.49 N#CC(F)Sc1ccc(nc1)Cl 62a_200000117898_100000034144 [0,0,0,0,0,1|3,0,0]=4 602 B12R1.49 N#CC(F)Sc1ccc(nc1)F 62a_100000042367_200000117898 [0,0,0,0,0,1|3,0,0]=4 603 B12R1.49 N#CC(F)Sc1ccc(nc1)F 62a_200000117898_100000042367 [0,0,0,0,0,1|3,0,0]=4 604 B12R1.49 N#CC(F)Sc1ccc(nc1)N 62a_100000187370_200000117898 [0,0,0,0,0,1|3,0,0]=4 605 B12R1.49 N#CC(F)Sc1ccc(nc1)N 62a_200000117898_100000187370 [0,0,0,0,0,1|3,0,0]=4 606 B12R1.49 N#CC(F)Sc1cnc(cn1)O 62a_100011934580_200000117898 [0,0,0,0,0,1|3,0,0]=4 607 B12R1.49 N#CC(F)Sc1cnc(cn1)O 62a_200000117898_100015839800 [0,0,0,0,0,1|3,0,0]=4 608 B12R1.49 N#CC(F)Sc1ncc(cn1)O 62a_100000730009_200000117898 [0,0,0,0,0,1|3,0,0]=4 609 B12R1.49 N#CC(F)Sc1ncc(cn1)O 62a_200000117898_100000092845 [0,0,0,0,0,1|3,0,0]=4 610 B9R0.8 C=CC=CC(=O)C(C)C#N 1458a_100016291481_100000703298 [1,0,1,0,0,0|2,0,0]=4 611 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|0,0,2]=4 612 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|0,0,1]=3 613 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|1,0,1]=4 614 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|1,0,1]=4 615 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|1,0,1]=4 616 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|1,0,1]=4 617 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|1,0,1]=4 618 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|1,0,1]=4 619 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|1,0,1]=4 620 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|0,0,0]=2 621 B9R1.1 N#Cc1ccc(cn1)O 271570a_203496583355_100000760455 [2,0,0,0,0,0|1,0,0]=3 622 B9R1.1 N#Cc1ccc(nc1)O 271570a_203496583355_100000241038 [2,0,0,0,0,0|1,0,0]=3 623 B9R1.1 N#Cc1ccc(nn1)O 271570a_203496583355_100000094388 [2,0,0,0,0,0|2,0,0]=4 624 B9R1.1 N#Cc1cnc(cn1)O 271570a_203496583355_100000059812 [2,0,0,0,0,0|2,0,0]=4 625 B9R1.1 N#Cc1cnc(nc1)O 271570a_203496583355_100000099682 [2,0,0,0,0,0|2,0,0]=4 626 B9R1.1 N#Cc1ncc(cn1)O 271570a_203496583355_100000766871 [2,0,0,0,0,0|2,0,0]=4 627 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|0,0,1]=3 628 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [2,0,0,0,0,0|1,0,1]=4 629 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [2,0,0,0,0,0|1,0,1]=4 630 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|1,0,1]=4 631 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|0,0,2]=4 632 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|0,0,0]=2 633 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|1,0,0]=3 634 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|1,0,0]=3 635 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [2,0,0,0,0,0|2,0,0]=4 636 B9R1.1 OCc1cnc(nc1)O 271570a_203496583355_100009855073 [2,0,0,0,0,0|2,0,0]=4 637 B9R1.1 OCc1ncc(cn1)O 271570a_203496583355_100009867226 [2,0,0,0,0,0|2,0,0]=4 638 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,0]=3 639 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|1,0,1]=4 640 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|1,0,1]=4 641 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|2,0,0]=4 642 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 643 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|2,0,0]=4 644 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|2,0,0]=4 645 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 646 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|2,0,0]=4 647 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|2,0,0]=4 648 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 649 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|2,0,0]=4 650 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 651 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|2,0,0]=4 652 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|2,0,0]=4 653 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 654 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 655 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 656 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 657 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|2,0,0]=4 658 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|2,0,0]=4 659 B11R1.1 C#CCNc1ccc(cc1)Br 2230a_100000210018_100000038162 [1,1,0,0,0,0|2,0,0]=4 660 B11R1.1 C#CCNc1ccc(cc1)Br 34a_100000210018_100000184674 [1,1,0,0,0,0|2,0,0]=4 661 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.1 C#CCNc1ccc(cc1)Cl 2230a_100000210052_100000038162 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.1 C#CCNc1ccc(cc1)Cl 34a_100000210052_100000184674 [1,1,0,0,0,0|2,0,0]=4 664 B11R1.1 C#CCNc1ccc(cc1)F 34a_100000185862_100000184674 [1,1,0,0,0,0|2,0,0]=4 665 B11R1.1 C#CCNc1ccc(cc1)I 34a_100000185761_100000184674 [1,1,0,0,0,0|2,0,0]=4 666 B11R1.1 C#CCNc1ccc(cc1)O 34a_100000185829_100000184674 [1,1,0,0,0,0|1,0,0]=3 667 B11R1.1 C#CCOc1ccc(cc1)Br 34a_100000185759_100000184674 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.1 C#CCOc1ccc(cc1)Br 7a_100000185759_100000038162 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.1 C#CCOc1ccc(cc1)Cl 34a_100000210216_100000184674 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.1 C#CCOc1ccc(cc1)Cl 7a_100000210216_100000038162 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.1 C#CCOc1ccc(cc1)F 34a_100000210339_100000184674 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.1 C#CCOc1ccc(cc1)I 34a_100000212066_100000184674 [1,1,0,0,0,0|2,0,0]=4 675 B11R1.1 C#CCOc1ccc(cc1)I 7a_100000212066_100000038162 [1,1,0,0,0,0|2,0,0]=4 676 B11R1.1 C#CCOc1ccc(cc1)N 34a_100000185829_100000184674 [1,1,0,0,0,0|2,0,0]=4 677 B11R1.1 C#CCSc1ccc(cc1)Br 62a_100000038162_100000752885 [1,1,0,0,0,0|2,0,0]=4 678 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [1,1,0,0,0,0|2,0,0]=4 679 B11R1.1 C#CCSc1ccc(cc1)Cl 62a_100000038162_100000755918 [1,1,0,0,0,0|2,0,0]=4 680 B11R1.1 C#CCSc1ccc(cc1)F 62a_100000038162_100000211213 [1,1,0,0,0,0|2,0,0]=4 681 B11R1.1 C#CCSc1ccc(cc1)N 62a_100000038162_100000185761 [1,1,0,0,0,0|2,0,0]=4 682 B11R1.1 C#CCSc1ccc(cc1)O 62a_100000038162_100000185759 [1,1,0,0,0,0|1,0,0]=3 683 B11R1.1 C#CCSc1ccc(cn1)O 62a_100000038162_100000744096 [1,1,0,0,0,0|2,0,0]=4 684 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,1,0,0,0,0|1,0,1]=4 686 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [1,1,0,0,0,0|1,0,1]=4 687 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|1,0,1]=4 688 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|1,0,1]=4 689 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|1,0,1]=4 690 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|1,0,1]=4 691 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|1,0,1]=4 692 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|1,0,1]=4 693 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|1,0,1]=4 694 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|1,0,1]=4 695 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|1,0,1]=4 696 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|0,0,2]=4 697 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|0,0,2]=4 698 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|0,0,2]=4 699 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|0,0,2]=4 700 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|1,0,1]=4 701 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,1,0,0,0,0|2,0,0]=4 702 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [1,1,0,0,0,0|2,0,0]=4 703 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|1,0,1]=4 704 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|1,0,1]=4 705 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 706 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [1,1,0,0,0,0|2,0,0]=4 707 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [1,1,0,0,0,0|1,0,0]=3 708 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [1,1,0,0,0,0|1,0,0]=3 709 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [1,1,0,0,0,0|1,0,0]=3 710 B11R1.1 Cc1ccc(cn1)OCC#N 7a_100000745506_100011215382 [1,1,0,0,0,0|2,0,0]=4 711 B11R1.1 Cc1ccc(cn1)SCC#N 62a_100000751577_100011215382 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.1 Cc1ccc(cn1)SCC#N 62a_100011215382_100000751577 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.1 Cc1ccc(nc1)SCC#N 62a_100011192072_100011215382 [1,1,0,0,0,0|2,0,0]=4 714 B11R1.1 Cc1ccc(nc1)SCC#N 62a_100011215382_100000754016 [1,1,0,0,0,0|2,0,0]=4 715 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,1,0,0,0,0|0,0,0]=2 716 B11R1.1 N#CCNc1ccc(cc1)Br 2230a_100000210018_100011215382 [1,1,0,0,0,0|1,0,0]=3 717 B11R1.1 N#CCNc1ccc(cc1)Cl 2230a_100000210052_100011215382 [1,1,0,0,0,0|1,0,0]=3 718 B11R1.1 N#CCOc1ccc(cc1)Br 7a_100000185759_100011215382 [1,1,0,0,0,0|1,0,0]=3 719 B11R1.1 N#CCOc1ccc(cc1)Cl 7a_100000210216_100011215382 [1,1,0,0,0,0|1,0,0]=3 720 B11R1.1 N#CCOc1ccc(cc1)I 7a_100000212066_100011215382 [1,1,0,0,0,0|1,0,0]=3 721 B11R1.1 N#CCOc1ccc(cc1)O 271570a_203496583355_200000169425 [1,1,0,0,0,0|0,0,0]=2 722 B11R1.1 N#CCOc1ccc(nc1)Br 7a_100000685995_100011215382 [1,1,0,0,0,0|2,0,0]=4 723 B11R1.1 N#CCOc1ccc(nc1)Cl 7a_100000744096_100011215382 [1,1,0,0,0,0|2,0,0]=4 724 B11R1.1 N#CCOc1ccc(nc1)F 7a_100000688820_100011215382 [1,1,0,0,0,0|2,0,0]=4 725 B11R1.1 N#CCOc1ccc(nc1)I 7a_100000687607_100011215382 [1,1,0,0,0,0|2,0,0]=4 726 B11R1.1 N#CCOc1ccc(nc1)N 7a_100015188713_100011215382 [1,1,0,0,0,0|2,0,0]=4 727 B11R1.1 N#CCSc1cc[n+](cc1)[O-] 62a_100011215382_100000039755 [1,1,0,0,0,0|1,0,1]=4 728 B11R1.1 N#CCSc1ccc(=O)[nH]c1 62a_100000212171_100011215382 [1,1,0,0,0,0|1,0,1]=4 729 B11R1.1 N#CCSc1ccc(=O)[nH]c1 62a_100011215382_100000212171 [1,1,0,0,0,0|1,0,1]=4 730 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100000752885_100011215382 [1,1,0,0,0,0|1,0,0]=3 731 B11R1.1 N#CCSc1ccc(cc1)Br 62a_100011215382_100000752885 [1,1,0,0,0,0|1,0,0]=3 732 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100000755918_100011215382 [1,1,0,0,0,0|1,0,0]=3 733 B11R1.1 N#CCSc1ccc(cc1)Cl 62a_100011215382_100000755918 [1,1,0,0,0,0|1,0,0]=3 734 B11R1.1 N#CCSc1ccc(cc1)F 62a_100000211213_100011215382 [1,1,0,0,0,0|1,0,0]=3 735 B11R1.1 N#CCSc1ccc(cc1)F 62a_100011215382_100000211213 [1,1,0,0,0,0|1,0,0]=3 736 B11R1.1 N#CCSc1ccc(cc1)N 62a_100000185761_100011215382 [1,1,0,0,0,0|1,0,0]=3 737 B11R1.1 N#CCSc1ccc(cc1)N 62a_100011215382_100000185761 [1,1,0,0,0,0|1,0,0]=3 738 B11R1.1 N#CCSc1ccc(cc1)O 62a_100011215382_100000185759 [1,1,0,0,0,0|0,0,0]=2 739 B11R1.1 N#CCSc1ccc(cn1)Br 62a_100000686858_100011215382 [1,1,0,0,0,0|2,0,0]=4 740 B11R1.1 N#CCSc1ccc(cn1)Br 62a_100011215382_100000686858 [1,1,0,0,0,0|2,0,0]=4 741 B11R1.1 N#CCSc1ccc(cn1)Cl 62a_100011215382_100011356976 [1,1,0,0,0,0|2,0,0]=4 742 B11R1.1 N#CCSc1ccc(cn1)Cl 62a_100011356976_100011215382 [1,1,0,0,0,0|2,0,0]=4 743 B11R1.1 N#CCSc1ccc(cn1)F 62a_100000744514_100011215382 [1,1,0,0,0,0|2,0,0]=4 744 B11R1.1 N#CCSc1ccc(cn1)F 62a_100011215382_100000744514 [1,1,0,0,0,0|2,0,0]=4 745 B11R1.1 N#CCSc1ccc(cn1)N 62a_100000737798_100011215382 [1,1,0,0,0,0|2,0,0]=4 746 B11R1.1 N#CCSc1ccc(cn1)N 62a_100011215382_100000737798 [1,1,0,0,0,0|2,0,0]=4 747 B11R1.1 N#CCSc1ccc(cn1)O 62a_100000685995_100011215382 [1,1,0,0,0,0|1,0,0]=3 748 B11R1.1 N#CCSc1ccc(cn1)O 62a_100011215382_100000744096 [1,1,0,0,0,0|1,0,0]=3 749 B11R1.1 N#CCSc1ccc(nc1)Br 62a_100009814638_100011215382 [1,1,0,0,0,0|2,0,0]=4 750 B11R1.1 N#CCSc1ccc(nc1)Br 62a_100011215382_100009814638 [1,1,0,0,0,0|2,0,0]=4 751 B11R1.1 N#CCSc1ccc(nc1)Cl 62a_100000034144_100011215382 [1,1,0,0,0,0|2,0,0]=4 752 B11R1.1 N#CCSc1ccc(nc1)Cl 62a_100011215382_100000034144 [1,1,0,0,0,0|2,0,0]=4 753 B11R1.1 N#CCSc1ccc(nc1)F 62a_100000042367_100011215382 [1,1,0,0,0,0|2,0,0]=4 754 B11R1.1 N#CCSc1ccc(nc1)F 62a_100011215382_100000042367 [1,1,0,0,0,0|2,0,0]=4 755 B11R1.1 N#CCSc1ccc(nc1)N 62a_100000187370_100011215382 [1,1,0,0,0,0|2,0,0]=4 756 B11R1.1 N#CCSc1ccc(nc1)N 62a_100011215382_100000187370 [1,1,0,0,0,0|2,0,0]=4 757 B11R1.1 N#CCSc1cnc(cn1)O 62a_100011215382_100015839800 [1,1,0,0,0,0|2,0,0]=4 758 B11R1.1 N#CCSc1cnc(cn1)O 62a_100011934580_100011215382 [1,1,0,0,0,0|2,0,0]=4 759 B11R1.1 N#CCSc1ncc(cn1)O 62a_100000730009_100011215382 [1,1,0,0,0,0|2,0,0]=4 760 B11R1.1 N#CCSc1ncc(cn1)O 62a_100011215382_100000092845 [1,1,0,0,0,0|2,0,0]=4 761 B11R1.1 N#CSCc1ccc(cc1)O 271570a_203496583355_200010141448 [1,1,0,0,0,0|0,0,0]=2 762 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|0,0,2]=4 763 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [1,1,0,0,0,0|0,0,2]=4 764 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [1,1,0,0,0,0|0,0,2]=4 765 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|1,0,1]=4 766 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,1]=4 767 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,1,0,0,0,0|1,0,1]=4 768 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [1,1,0,0,0,0|1,0,1]=4 769 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|1,0,1]=4 770 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [1,1,0,0,0,0|1,0,1]=4 771 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [1,1,0,0,0,0|1,0,1]=4 772 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [1,1,0,0,0,0|1,0,1]=4 773 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [1,1,0,0,0,0|1,0,1]=4 774 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|1,0,1]=4 775 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [1,1,0,0,0,0|1,0,1]=4 776 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [1,1,0,0,0,0|1,0,1]=4 777 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|0,0,2]=4 778 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|1,0,1]=4 779 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|1,0,1]=4 780 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|1,0,1]=4 781 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|1,0,1]=4 782 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,1,0,0,0,0|1,0,1]=4 783 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 784 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 788 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|0,0,2]=4 789 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|1,0,1]=4 790 B11R1.81 CNCc1ccc(cc1Cl)O 34a_200161156549_200000210301 [1,1,0,0,0,0|2,0,0]=4 791 B11R1.81 COCc1ccc(cc1N)O 271570a_203496583355_100013084866 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.81 Cc1cc(ccc1CC#N)O 271570a_203496583355_100000697864 [1,1,0,0,0,0|0,0,0]=2 793 B11R1.81 N#CCc1ccc(cc1F)O 271570a_203496583355_100011295474 [1,1,0,0,0,0|0,0,0]=2 794 B11R1.81 N#CCc1ccc(cc1O)F 271570a_203496583355_100011207962 [1,1,0,0,0,0|1,0,0]=3 795 B11R1.81 N#CCc1ncc(cc1F)O 271570a_203496583355_200012355362 [1,1,0,0,0,0|1,0,0]=3 796 B11R1.81 N#CSc1ccc(cc1F)O 271570a_203496583355_100025703542 [1,1,0,0,0,0|1,0,0]=3 797 B11R1.81 N#CSc1ccc(cc1O)F 271570a_203496583355_100025703547 [1,1,0,0,0,0|2,0,0]=4 798 B11R1.81 N#CSc1ccc(cc1O)N 271570a_203496583355_200012361504 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.81 OCCc1ccc(cc1F)O 271570a_203496583355_100011962869 [1,1,0,0,0,0|1,0,1]=4 800 B11R1.81 [13CH3]NCc1ccc(cc1Cl)O 34a_200161156549_200025704644 [1,1,0,0,0,0|2,0,0]=4 801 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,1,0,0,0,0|1,0,1]=4 802 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,1,0,0,0,0|1,0,1]=4 803 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,1,0,0,0,0|1,0,1]=4 804 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,1,0,0,0,0|1,0,1]=4 805 B11R1.83 C=Cc1ccc(cc1)CC#N 271570a_100011290941_100011217881 [1,1,0,0,0,0|1,0,0]=3 806 B11R1.83 C=Cc1ccc(cc1)NC#N 271570a_100011290941_100011685341 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.83 C=Cc1ccc(cn1)CC#N 271570a_100011290941_100000703598 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.83 C=Cc1ccc(nc1)CC#N 271570a_100011290941_100011824422 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,1,0,0,0,0|1,0,1]=4 810 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,1,0,0,0,0|1,0,1]=4 811 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,1,0,0,0,0|1,0,1]=4 812 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,1,0,0,0,0|1,0,1]=4 813 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [1,1,0,0,0,0|2,0,0]=4 815 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [1,1,0,0,0,0|2,0,0]=4 816 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [1,1,0,0,0,0|2,0,0]=4 817 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [1,1,0,0,0,0|2,0,0]=4 820 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,1,0,0,0,0|2,0,0]=4 826 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.83 CNc1ccc(cc1)CC#N 34a_100000198999_200000210301 [1,1,0,0,0,0|1,0,0]=3 831 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [1,1,0,0,0,0|2,0,0]=4 835 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [1,1,0,0,0,0|2,0,0]=4 836 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [1,1,0,0,0,0|2,0,0]=4 837 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [1,1,0,0,0,0|2,0,0]=4 838 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [1,1,0,0,0,0|0,0,0]=2 839 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [1,1,0,0,0,0|0,0,0]=2 840 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,1,0,0,0,0|1,0,1]=4 841 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,1,0,0,0,0|1,0,1]=4 842 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,1,0,0,0,0|0,0,2]=4 843 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,1,0,0,0,0|1,0,1]=4 844 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,1,0,0,0,0|1,0,1]=4 845 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [1,1,0,0,0,0|2,0,0]=4 848 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [1,1,0,0,0,0|2,0,0]=4 849 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [1,1,0,0,0,0|2,0,0]=4 850 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [1,1,0,0,0,0|2,0,0]=4 851 B11R1.83 CSc1ccc(cc1)CC#N 62a_100011217881_200000210301 [1,1,0,0,0,0|0,1,0]=3 852 B11R1.83 CSc1ccc(cc1)CC#N 62a_200000210301_100011217881 [1,1,0,0,0,0|0,1,0]=3 853 B11R1.83 CSc1ccc(cc1)NC#N 62a_200000210301_100011685341 [1,1,0,0,0,0|1,1,0]=4 854 B11R1.83 CSc1ccc(cn1)CC#N 62a_100000747943_200000210301 [1,1,0,0,0,0|1,1,0]=4 855 B11R1.83 CSc1ccc(cn1)CC#N 62a_200000210301_100000747943 [1,1,0,0,0,0|1,1,0]=4 856 B11R1.83 CSc1ccc(nc1)CC#N 62a_100011824422_200000210301 [1,1,0,0,0,0|1,1,0]=4 857 B11R1.83 CSc1ccc(nc1)CC#N 62a_200000210301_100011824422 [1,1,0,0,0,0|1,1,0]=4 858 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.83 [13CH3]Nc1ccc(cc1)CC#N 34a_100000198999_200025704644 [1,1,0,0,0,0|1,0,0]=3 861 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [1,1,0,0,0,0|0,0,0]=2 862 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [1,1,0,0,0,0|0,0,0]=2 863 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,1,0,0,0,0|1,0,1]=4 865 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,1,0,0,0,0|0,0,2]=4 866 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,1,0,0,0,0|1,0,1]=4 867 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,1,0,0,0,0|1,0,1]=4 868 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_100011217881_200025704644 [1,1,0,0,0,0|0,1,0]=3 871 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_200025704644_100011217881 [1,1,0,0,0,0|0,1,0]=3 872 B11R1.83 [13CH3]Sc1ccc(cc1)NC#N 62a_200025704644_100011685341 [1,1,0,0,0,0|1,1,0]=4 873 B11R1.83 [13CH3]Sc1ccc(cn1)CC#N 62a_100000747943_200025704644 [1,1,0,0,0,0|1,1,0]=4 874 B11R1.83 [13CH3]Sc1ccc(cn1)CC#N 62a_200025704644_100000747943 [1,1,0,0,0,0|1,1,0]=4 875 B11R1.83 [13CH3]Sc1ccc(nc1)CC#N 62a_100011824422_200025704644 [1,1,0,0,0,0|1,1,0]=4 876 B11R1.83 [13CH3]Sc1ccc(nc1)CC#N 62a_200025704644_100011824422 [1,1,0,0,0,0|1,1,0]=4 877 B11R1.192 CCCc1ccc(c(c1)F)O 271570a_203496583355_200010686677 [1,1,0,0,0,0|1,0,1]=4 878 B11R1.192 CNCc1ccc(c(c1)F)O 34a_100000758358_200000210301 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,1,0,0,0,0|2,0,0]=4 880 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.192 Cc1cc(ccc1O)CC#N 271570a_203496583355_100000726167 [1,1,0,0,0,0|0,0,0]=2 883 B11R1.192 N#CCc1ccc(c(c1)F)O 271570a_203496583355_100000691973 [1,1,0,0,0,0|0,0,0]=2 884 B11R1.192 N#CCc1ccc(c(c1)O)F 271570a_203496583355_100000742998 [1,1,0,0,0,0|1,0,0]=3 885 B11R1.192 N#CCc1ccc(c(c1)O)N 271570a_203496583355_100010188563 [1,1,0,0,0,0|1,0,0]=3 886 B11R1.192 N#CCc1cnc(c(c1)F)O 271570a_203496583355_200010066908 [1,1,0,0,0,0|1,0,0]=3 887 B11R1.192 N#CSc1ccc(c(c1)F)O 271570a_203496583355_100025703552 [1,1,0,0,0,0|1,0,0]=3 888 B11R1.192 N#CSc1ccc(c(c1)O)F 271570a_203496583355_100025703566 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.192 N#CSc1ccc(c(c1)O)N 271570a_203496583355_100000683425 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [1,1,0,0,0,0|1,0,1]=4 891 B11R1.192 [13CH3]NCc1ccc(c(c1)F)O 34a_100000758358_200025704644 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,1,0,0,0,0|2,0,0]=4 893 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [1,1,0,0,0,0|1,0,1]=4 894 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [1,1,0,0,0,0|1,0,1]=4 895 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [1,1,0,0,0,0|1,0,1]=4 896 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [1,1,0,0,0,0|1,0,1]=4 897 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [1,1,0,0,0,0|1,0,1]=4 898 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [1,1,0,0,0,0|0,0,1]=3 899 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [1,1,0,0,0,0|0,0,1]=3 900 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [1,1,0,0,0,0|0,1,1]=4 901 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [1,1,0,0,0,0|0,1,1]=4 902 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [1,1,0,0,0,0|1,0,1]=4 903 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [1,1,0,0,0,0|1,0,1]=4 904 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [1,1,0,0,0,0|1,0,1]=4 905 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [1,1,0,0,0,0|1,0,1]=4 906 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [1,1,0,0,0,0|0,0,1]=3 907 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [1,1,0,0,0,0|0,0,1]=3 908 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [1,1,0,0,0,0|1,0,1]=4 909 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [1,1,0,0,0,0|0,1,1]=4 910 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [1,1,0,0,0,0|0,1,1]=4 911 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [1,1,0,0,0,0|1,0,1]=4 912 B11R1.19 CC(C)(C)c1ccc(cc1)O 271570a_203496583355_100011215385 [1,1,0,0,0,0|1,0,1]=4 913 B11R1.19 CC(C)(N)c1ccc(cc1)O 271570a_203496583355_100000739617 [1,1,0,0,0,0|1,0,1]=4 914 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [1,1,0,0,0,0|0,0,1]=3 915 B11R1.19 CC(C)(O)c1ccc(cn1)O 271570a_203496583355_100010246419 [1,1,0,0,0,0|1,0,1]=4 916 B11R1.19 CC(C)(O)c1ccc(nc1)O 271570a_203496583355_100010080785 [1,1,0,0,0,0|1,0,1]=4 917 B11R1.19 CC(F)(F)c1ccc(cc1)O 271570a_203496583355_100009817129 [1,1,0,0,0,0|1,0,1]=4 918 B11R1.19 Oc1ccc(cc1)C(F)(F)F 271570a_203496583355_100000727837 [1,1,0,0,0,0|2,0,0]=4 919 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [1,1,0,0,0,0|1,0,1]=4 920 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [1,1,0,0,0,0|1,0,1]=4 921 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [1,1,0,0,0,0|1,0,1]=4 922 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [1,1,0,0,0,0|2,0,0]=4 923 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [1,1,0,0,0,0|2,0,0]=4 924 B11R1.21 Oc1ccc(cc1F)C(F)F 271570a_203496583355_100010189893 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.166 CC(N)c1ccc(cc1F)O 271570a_203496583355_100000730447 [1,1,0,0,0,0|1,0,1]=4 926 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [1,1,0,0,0,0|2,0,0]=4 927 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [1,1,0,0,0,0|2,0,0]=4 929 B11R1.166 Oc1ccc(c(c1)F)C(F)F 271570a_203496583355_100010169825 [1,1,0,0,0,0|2,0,0]=4 930 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [1,1,0,0,0,0|1,0,0]=3 931 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [1,1,0,0,0,0|1,0,0]=3 932 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [1,1,0,0,0,0|1,0,0]=3 933 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [1,1,0,0,0,0|1,0,0]=3 934 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [1,1,0,0,0,0|1,0,1]=4 935 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [1,1,0,0,0,0|1,0,1]=4 936 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [1,1,0,0,0,0|1,0,1]=4 937 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [1,1,0,0,0,0|1,0,1]=4 938 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,1,0,0,0,0|1,0,1]=4 939 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,1,0,0,0,0|1,0,1]=4 940 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,1,0,0,0,0|1,0,1]=4 941 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,1,0,0,0,0|1,0,1]=4 942 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [1,1,0,0,0,0|2,0,0]=4 943 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|2,0,0]=4 944 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [1,1,0,0,0,0|0,0,0]=2 945 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [1,1,0,0,0,0|1,0,1]=4 946 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [1,1,0,0,0,0|0,0,2]=4 947 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [1,1,0,0,0,0|1,0,1]=4 948 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [1,1,0,0,0,0|1,0,1]=4 949 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [1,1,0,0,0,0|2,0,0]=4 950 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|2,0,0]=4 951 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [1,1,0,0,0,0|0,0,0]=2 952 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [1,1,0,0,0,0|1,0,1]=4 953 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [1,1,0,0,0,0|0,0,2]=4 954 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [1,1,0,0,0,0|1,0,1]=4 955 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [1,1,0,0,0,0|1,0,1]=4 956 B11R1.16 CN(CC#N)c1ccccc1 2230a_100000210012_100011215382 [1,1,0,0,0,0|2,0,0]=4 957 B11R1.16 CN(CC#N)c1ccccc1 269982a_100000210012_100011214920 [1,1,0,0,0,0|2,0,0]=4 958 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,1,0,0,0,0|0,0,2]=4 959 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,1,0,0,0,0|0,0,2]=4 960 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,1,0,0,0,0|0,0,2]=4 961 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,1,0,0,0,0|0,0,2]=4 962 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,1,0,0,0,0|0,0,2]=4 963 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,1,0,0,0,0|0,0,2]=4 964 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,1,0,0,0,0|0,0,2]=4 965 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,1,0,0,0,0|1,0,1]=4 966 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,1,0,0,0,0|1,0,1]=4 967 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,1,0,0,0,0|1,0,1]=4 968 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,1,0,0,0,0|1,0,1]=4 969 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,1,0,0,0,0|1,0,1]=4 970 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,1,0,0,0,0|1,0,1]=4 971 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [1,1,0,0,0,0|0,0,2]=4 972 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,1,0,0,0,0|0,0,2]=4 973 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,1,0,0,0,0|1,0,1]=4 974 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,1,0,0,0,0|1,0,1]=4 975 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,1,0,0,0,0|1,0,1]=4 976 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,1,0,0,0,0|1,0,1]=4 977 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [1,1,0,0,0,0|1,0,1]=4 978 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [1,1,0,0,0,0|0,0,2]=4 979 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|1,0,1]=4 980 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|1,0,1]=4 981 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [1,1,0,0,0,0|1,0,0]=3 982 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [1,1,0,0,0,0|0,0,2]=4 983 B13R1.5 C#CC(C)Nc1ccc(cc1)CO 34a_100011215238_200000035995 [0,1,0,0,0,1|2,0,0]=4 984 B13R1.5 C#CC(C)Nc1ccc(cc1)OC 34a_100000184247_200000035995 [0,1,0,0,0,1|2,0,0]=4 985 B13R1.5 C#CC(C)Oc1ccc(cc1)CO 34a_100000211755_200000035995 [0,1,0,0,0,1|2,0,0]=4 986 B13R1.5 C#CC(C)Oc1ccc(cc1)OC 34a_100000210503_200000035995 [0,1,0,0,0,1|2,0,0]=4 987 B13R1.5 C#CC(C)Sc1ccc(cc1)CO 62a_200000035995_100000690907 [0,1,0,0,0,1|2,0,0]=4 988 B13R1.5 C#CC(C)Sc1ccc(cc1)OC 62a_200000035995_100000171711 [0,1,0,0,0,1|2,0,0]=4 989 B13R1.5 C=Cc1ccc(cc1)OC(C)C#N 7a_100000189437_100000703298 [0,1,0,0,0,1|2,0,0]=4 990 B13R1.5 C=Cc1ccc(cc1)SC(C)C#N 62a_100000703298_100000748128 [0,1,0,0,0,1|2,0,0]=4 991 B13R1.5 C=Cc1ccc(cc1)SC(C)C#N 62a_100000748128_100000703298 [0,1,0,0,0,1|2,0,0]=4 992 B13R1.5 C=Cc1ccc(cc1)SC(F)C#N 62a_100000748128_200000117898 [0,1,0,0,0,1|2,0,0]=4 993 B13R1.5 C=Cc1ccc(cc1)SC(F)C#N 62a_200000117898_100000748128 [0,1,0,0,0,1|2,0,0]=4 994 B13R1.5 CC(C#N)Nc1ccc(cc1)CO 2230a_100011215238_100000184139 [0,1,0,0,0,1|1,0,0]=3 995 B13R1.5 CC(C#N)Oc1ccc(cc1)C#N 7a_100000210344_100000703298 [0,1,0,0,0,1|2,0,0]=4 996 B13R1.5 CC(C#N)Sc1ccc(cc1)C#N 62a_100000703298_100000184291 [0,1,0,0,0,1|2,0,0]=4 997 B13R1.5 CC(C#N)Sc1ccc(cc1)C=O 62a_100000188517_100000703298 [0,1,0,0,0,1|1,0,1]=4 998 B13R1.5 CC(C#N)Sc1ccc(cc1)C=O 62a_100000703298_100000188517 [0,1,0,0,0,1|1,0,1]=4 999 B13R1.5 CC(C#N)Sc1ccc(cc1)CF 62a_100000703298_100010268989 [0,1,0,0,0,1|2,0,0]=4 1000 B13R1.5 CC(C#N)Sc1ccc(cc1)CF 62a_100010268989_100000703298 [0,1,0,0,0,1|2,0,0]=4 1001 B13R1.5 CC(C#N)Sc1ccc(cc1)CN 62a_100000703298_100016989417 [0,1,0,0,0,1|2,0,0]=4 1002 B13R1.5 CC(C#N)Sc1ccc(cc1)CN 62a_100016989417_100000703298 [0,1,0,0,0,1|2,0,0]=4 1003 B13R1.5 CC(C#N)Sc1ccc(cc1)CO 62a_100000690907_100000703298 [0,1,0,0,0,1|1,0,0]=3 1004 B13R1.5 CC(C#N)Sc1ccc(cc1)CO 62a_100000703298_100000690907 [0,1,0,0,0,1|1,0,0]=3 1005 B13R1.5 CC(C#N)Sc1ccc(cc1)NN 62a_100000703298_100016988836 [0,1,0,0,0,1|2,0,0]=4 1006 B13R1.5 CC(C#N)Sc1ccc(cc1)NN 62a_100016988836_100000703298 [0,1,0,0,0,1|2,0,0]=4 1007 B13R1.5 CC(C#N)Sc1ccc(cn1)CO 62a_100000703298_100009816760 [0,1,0,0,0,1|2,0,0]=4 1008 B13R1.5 CC(C#N)Sc1ccc(cn1)CO 62a_100009816760_100000703298 [0,1,0,0,0,1|2,0,0]=4 1009 B13R1.5 CC(C#N)Sc1ccc(nc1)CO 62a_100000703298_100000754261 [0,1,0,0,0,1|2,0,0]=4 1010 B13R1.5 CC(C#N)Sc1ccc(nc1)CO 62a_100000754261_100000703298 [0,1,0,0,0,1|2,0,0]=4 1011 B13R1.5 CCc1ccc(cc1)NC(C)C#N 2230a_100000211069_100000184139 [0,1,0,0,0,1|2,0,0]=4 1012 B13R1.5 CCc1ccc(cc1)OC(C)C#N 7a_100000211359_100000703298 [0,1,0,0,0,1|2,0,0]=4 1013 B13R1.5 CCc1ccc(cc1)SC(C)C#N 62a_100000703298_100011215824 [0,1,0,0,0,1|2,0,0]=4 1014 B13R1.5 CCc1ccc(cc1)SC(C)C#N 62a_100011215824_100000703298 [0,1,0,0,0,1|2,0,0]=4 1015 B13R1.5 CCc1ccc(cc1)SC(F)C#N 62a_100011215824_200000117898 [0,1,0,0,0,1|2,0,0]=4 1016 B13R1.5 CCc1ccc(cc1)SC(F)C#N 62a_200000117898_100011215824 [0,1,0,0,0,1|2,0,0]=4 1017 B13R1.5 CNc1ccc(cc1)SC(C)C#N 62a_100000703298_100000743151 [0,1,0,0,0,1|2,0,0]=4 1018 B13R1.5 CNc1ccc(cc1)SC(C)C#N 62a_100000743151_100000703298 [0,1,0,0,0,1|2,0,0]=4 1019 B13R1.5 CNc1ccc(cc1)SC(F)C#N 62a_100000743151_200000117898 [0,1,0,0,0,1|2,0,0]=4 1020 B13R1.5 CNc1ccc(cc1)SC(F)C#N 62a_200000117898_100000743151 [0,1,0,0,0,1|2,0,0]=4 1021 B13R1.5 COc1ccc(cc1)SC(C)C#N 62a_100000703298_100000171711 [0,1,0,0,0,1|1,0,0]=3 1022 B13R1.5 COc1ccc(cc1)SC(F)C#N 62a_200000117898_100000171711 [0,1,0,0,0,1|1,0,0]=3 1023 B13R1.5 COc1ccc(cn1)SC(C)C#N 62a_100000047065_100000703298 [0,1,0,0,0,1|2,0,0]=4 1024 B13R1.5 COc1ccc(cn1)SC(C)C#N 62a_100000703298_100000047065 [0,1,0,0,0,1|2,0,0]=4 1025 B13R1.5 COc1ccc(cn1)SC(F)C#N 62a_100000047065_200000117898 [0,1,0,0,0,1|2,0,0]=4 1026 B13R1.5 COc1ccc(cn1)SC(F)C#N 62a_200000117898_100000047065 [0,1,0,0,0,1|2,0,0]=4 1027 B13R1.5 COc1ccc(nc1)SC(C)C#N 62a_100000703298_100000744180 [0,1,0,0,0,1|2,0,0]=4 1028 B13R1.5 COc1ccc(nc1)SC(C)C#N 62a_100000755202_100000703298 [0,1,0,0,0,1|2,0,0]=4 1029 B13R1.5 COc1ccc(nc1)SC(F)C#N 62a_100000755202_200000117898 [0,1,0,0,0,1|2,0,0]=4 1030 B13R1.5 COc1ccc(nc1)SC(F)C#N 62a_200000117898_100000744180 [0,1,0,0,0,1|2,0,0]=4 1031 B13R1.5 CSc1ccc(cc1)SC(C)C#N 62a_100000703298_100011263217 [0,1,0,0,0,1|1,1,0]=4 1032 B13R1.5 CSc1ccc(cc1)SC(C)C#N 62a_100011263217_100000703298 [0,1,0,0,0,1|1,1,0]=4 1033 B13R1.5 CSc1ccc(cc1)SC(F)C#N 62a_100011263217_200000117898 [0,1,0,0,0,1|1,1,0]=4 1034 B13R1.5 CSc1ccc(cc1)SC(F)C#N 62a_200000117898_100011263217 [0,1,0,0,0,1|1,1,0]=4 1035 B13R1.5 N#CC(F)Sc1ccc(cc1)C=O 62a_100000188517_200000117898 [0,1,0,0,0,1|1,0,1]=4 1036 B13R1.5 N#CC(F)Sc1ccc(cc1)C=O 62a_200000117898_100000188517 [0,1,0,0,0,1|1,0,1]=4 1037 B13R1.5 N#CC(F)Sc1ccc(cc1)CF 62a_100010268989_200000117898 [0,1,0,0,0,1|2,0,0]=4 1038 B13R1.5 N#CC(F)Sc1ccc(cc1)CF 62a_200000117898_100010268989 [0,1,0,0,0,1|2,0,0]=4 1039 B13R1.5 N#CC(F)Sc1ccc(cc1)CN 62a_100016989417_200000117898 [0,1,0,0,0,1|2,0,0]=4 1040 B13R1.5 N#CC(F)Sc1ccc(cc1)CN 62a_200000117898_100016989417 [0,1,0,0,0,1|2,0,0]=4 1041 B13R1.5 N#CC(F)Sc1ccc(cc1)CO 62a_100000690907_200000117898 [0,1,0,0,0,1|1,0,0]=3 1042 B13R1.5 N#CC(F)Sc1ccc(cc1)CO 62a_200000117898_100000690907 [0,1,0,0,0,1|1,0,0]=3 1043 B13R1.5 N#CC(F)Sc1ccc(cc1)NN 62a_100016988836_200000117898 [0,1,0,0,0,1|2,0,0]=4 1044 B13R1.5 N#CC(F)Sc1ccc(cc1)NN 62a_200000117898_100016988836 [0,1,0,0,0,1|2,0,0]=4 1045 B13R1.5 N#CC(F)Sc1ccc(cn1)CO 62a_100009816760_200000117898 [0,1,0,0,0,1|2,0,0]=4 1046 B13R1.5 N#CC(F)Sc1ccc(cn1)CO 62a_200000117898_100009816760 [0,1,0,0,0,1|2,0,0]=4 1047 B13R1.5 N#CC(F)Sc1ccc(nc1)CO 62a_100000754261_200000117898 [0,1,0,0,0,1|2,0,0]=4 1048 B13R1.5 N#CC(F)Sc1ccc(nc1)CO 62a_200000117898_100000754261 [0,1,0,0,0,1|2,0,0]=4 1049 B13R1.5 N#Cc1ccc(cc1)SC(F)C#N 62a_200000117898_100000184291 [0,1,0,0,0,1|2,0,0]=4 1050 B13R1.19 CC(CC#N)Nc1ccc(cc1)Br 2230a_100000210018_100009813641 [0,1,0,0,0,1|2,0,0]=4 1051 B13R1.19 CC(CC#N)Nc1ccc(cc1)Cl 2230a_100000210052_100009813641 [0,1,0,0,0,1|2,0,0]=4 1052 B13R1.19 CC(CC#N)Oc1ccc(cc1)Br 7a_100000185759_100009813641 [0,1,0,0,0,1|2,0,0]=4 1053 B13R1.19 CC(CC#N)Oc1ccc(cc1)Cl 7a_100000210216_100009813641 [0,1,0,0,0,1|2,0,0]=4 1054 B13R1.19 CC(CC#N)Oc1ccc(cc1)I 7a_100000212066_100009813641 [0,1,0,0,0,1|2,0,0]=4 1055 B13R1.19 CC(CC#N)Sc1ccc(cc1)Br 62a_100000752885_100009813641 [0,1,0,0,0,1|2,0,0]=4 1056 B13R1.19 CC(CC#N)Sc1ccc(cc1)Br 62a_100009813641_100000752885 [0,1,0,0,0,1|2,0,0]=4 1057 B13R1.19 CC(CC#N)Sc1ccc(cc1)Cl 62a_100000755918_100009813641 [0,1,0,0,0,1|2,0,0]=4 1058 B13R1.19 CC(CC#N)Sc1ccc(cc1)Cl 62a_100009813641_100000755918 [0,1,0,0,0,1|2,0,0]=4 1059 B13R1.19 CC(CC#N)Sc1ccc(cc1)F 62a_100000211213_100009813641 [0,1,0,0,0,1|2,0,0]=4 1060 B13R1.19 CC(CC#N)Sc1ccc(cc1)F 62a_100009813641_100000211213 [0,1,0,0,0,1|2,0,0]=4 1061 B13R1.19 CC(CC#N)Sc1ccc(cc1)N 62a_100000185761_100009813641 [0,1,0,0,0,1|2,0,0]=4 1062 B13R1.19 CC(CC#N)Sc1ccc(cc1)N 62a_100009813641_100000185761 [0,1,0,0,0,1|2,0,0]=4 1063 B13R1.19 CC(CC#N)Sc1ccc(cc1)O 62a_100009813641_100000185759 [0,1,0,0,0,1|1,0,0]=3 1064 B13R1.19 CC(CC#N)Sc1ccc(cn1)O 62a_100000685995_100009813641 [0,1,0,0,0,1|2,0,0]=4 1065 B13R1.19 CC(CC#N)Sc1ccc(cn1)O 62a_100009813641_100000744096 [0,1,0,0,0,1|2,0,0]=4 1066 B13R1.19 CN(CC#N)Cc1ccc(cc1)O 2230a_100000207500_100011215382 [0,1,0,0,0,1|2,0,0]=4 1067 B13R1.19 CN(CC#N)Cc1ccc(cc1)O 269982a_100000207500_100011214920 [0,1,0,0,0,1|2,0,0]=4 1068 B13R1.19 Cc1ccc(cc1)OC(C)CC#N 7a_100000210336_100009813641 [0,1,0,0,0,1|2,0,0]=4 1069 B13R1.19 Cc1ccc(cc1)SC(C)CC#N 62a_100000186775_100009813641 [0,1,0,0,0,1|2,0,0]=4 1070 B13R1.19 Cc1ccc(cc1)SC(C)CC#N 62a_100009813641_100000186775 [0,1,0,0,0,1|2,0,0]=4 1071 B13R1.19 N#CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100011214920 [0,1,0,0,0,1|0,0,2]=4 1072 B13R1.19 N#CCC(=O)Nc1ccc(cc1)O 22a_100000185829_100051588842 [0,1,0,0,0,1|0,0,2]=4 1073 B13R1.19 N#CCC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000187967 [0,1,0,0,0,1|0,0,2]=4 1074 B13R1.21 C#CC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_200000035995 [0,1,0,0,0,1|2,0,0]=4 1075 B13R1.21 C#CC(C)N(C)c1ccc(cc1)O 34a_100000182112_200000035995 [0,1,0,0,0,1|2,0,0]=4 1076 B13R1.21 CC(C#N)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000703298 [0,1,0,0,0,1|2,0,0]=4 1077 B13R1.21 CC(C#N)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000703298 [0,1,0,0,0,1|2,0,0]=4 1078 B13R1.21 CC(C#N)C(=O)c1ccc(cc1)F 1458a_100000187176_100000703298 [0,1,0,0,0,1|2,0,0]=4 1079 B13R1.21 CC(C#N)C(=O)c1ccc(cc1)I 1458a_100000187904_100000703298 [0,1,0,0,0,1|2,0,0]=4 1080 B13R1.21 CC(C#N)C(=O)c1ccc(cc1)O 1458a_100000212099_100000703298 [0,1,0,0,0,1|1,0,0]=3 1081 B13R1.21 CC(C#N)N(C)c1ccc(cc1)Br 2230a_100000219623_100000184139 [0,1,0,0,0,1|2,0,0]=4 1082 B13R1.21 CC(C#N)N(C)c1ccc(cc1)Br 269982a_100000219623_100000703298 [0,1,0,0,0,1|2,0,0]=4 1083 B13R1.21 CC(C#N)N(C)c1ccc(cc1)Cl 2230a_100020629279_100000184139 [0,1,0,0,0,1|2,0,0]=4 1084 B13R1.21 CC(C#N)N(C)c1ccc(cc1)Cl 269982a_100020629279_100000703298 [0,1,0,0,0,1|2,0,0]=4 1085 B13R1.21 CC(C#N)N(C)c1ccc(cc1)F 2230a_100000219829_100000184139 [0,1,0,0,0,1|2,0,0]=4 1086 B13R1.21 CC(C#N)N(C)c1ccc(cc1)F 269982a_100000219829_100000703298 [0,1,0,0,0,1|2,0,0]=4 1087 B13R1.21 CC(C#N)N(C)c1ccc(cc1)I 2230a_100000743151_100000184139 [0,1,0,0,0,1|2,0,0]=4 1088 B13R1.21 CC(C#N)N(C)c1ccc(cc1)I 269982a_100000743151_100000703298 [0,1,0,0,0,1|2,0,0]=4 1089 B13R1.21 CC(C#N)N(C)c1ccc(cc1)O 269982a_100000182112_100000703298 [0,1,0,0,0,1|1,0,0]=3 1090 B13R1.21 Cc1ccc(cc1)C(=O)C(C)C#N 1458a_100000188618_100000703298 [0,1,0,0,0,1|2,0,0]=4 1091 B13R1.21 Cc1ccc(cc1)N(C)C(C)C#N 2230a_100000219977_100000184139 [0,1,0,0,0,1|2,0,0]=4 1092 B13R1.21 Cc1ccc(cc1)N(C)C(C)C#N 269982a_100000219977_100000703298 [0,1,0,0,0,1|2,0,0]=4 1093 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,1,0,0,0,1|1,0,1]=4 1094 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,1,0,0,0,1|1,0,1]=4 1095 B13R1.145 CNC(C#N)Cc1ccc(cc1)C 34a_100102657272_100000697087 [0,1,0,0,0,1|2,0,0]=4 1096 B13R1.145 CNC(C#N)Cc1ccc(cc1)C 7a_106832991635_100000697087 [0,1,0,0,0,1|2,0,0]=4 1097 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200000210301 [0,1,0,0,0,1|2,0,0]=4 1098 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200000210301 [0,1,0,0,0,1|2,0,0]=4 1099 B13R1.145 COC(C#N)Cc1ccc(cc1)C 34a_100138415774_100000697087 [0,1,0,0,0,1|1,0,0]=3 1100 B13R1.145 CSC(C#N)Cc1ccc(cc1)C 62a_100000697087_200000210301 [0,1,0,0,0,1|1,1,0]=4 1101 B13R1.145 CSC(C#N)Cc1ccc(cc1)C 62a_200000210301_100000697087 [0,1,0,0,0,1|1,1,0]=4 1102 B13R1.145 Cc1ccc(cc1)CC(C#N)S[13CH3] 62a_100000697087_200025704644 [0,1,0,0,0,1|1,1,0]=4 1103 B13R1.145 Cc1ccc(cc1)CC(C#N)S[13CH3] 62a_200025704644_100000697087 [0,1,0,0,0,1|1,1,0]=4 1104 B13R1.145 Cc1ccc(cc1)SC(C#N)C#N 62a_100000186775_100000722193 [0,1,0,0,0,1|2,0,0]=4 1105 B13R1.145 Cc1ccc(cc1)SC(C#N)C#N 62a_100000722193_100000186775 [0,1,0,0,0,1|2,0,0]=4 1106 B13R1.145 N#CC(C#N)Sc1ccc(cc1)Br 62a_100000722193_100000752885 [0,1,0,0,0,1|2,0,0]=4 1107 B13R1.145 N#CC(C#N)Sc1ccc(cc1)Br 62a_100000752885_100000722193 [0,1,0,0,0,1|2,0,0]=4 1108 B13R1.145 N#CC(C#N)Sc1ccc(cc1)Cl 62a_100000722193_100000755918 [0,1,0,0,0,1|2,0,0]=4 1109 B13R1.145 N#CC(C#N)Sc1ccc(cc1)Cl 62a_100000755918_100000722193 [0,1,0,0,0,1|2,0,0]=4 1110 B13R1.145 N#CC(C#N)Sc1ccc(cc1)F 62a_100000211213_100000722193 [0,1,0,0,0,1|2,0,0]=4 1111 B13R1.145 N#CC(C#N)Sc1ccc(cc1)F 62a_100000722193_100000211213 [0,1,0,0,0,1|2,0,0]=4 1112 B13R1.145 N#CC(C#N)Sc1ccc(cc1)N 62a_100000185761_100000722193 [0,1,0,0,0,1|2,0,0]=4 1113 B13R1.145 N#CC(C#N)Sc1ccc(cc1)N 62a_100000722193_100000185761 [0,1,0,0,0,1|2,0,0]=4 1114 B13R1.145 N#CC(C#N)Sc1ccc(cc1)O 62a_100000722193_100000185759 [0,1,0,0,0,1|1,0,0]=3 1115 B13R1.145 N#CC(C#N)Sc1ccc(cn1)O 62a_100000685995_100000722193 [0,1,0,0,0,1|2,0,0]=4 1116 B13R1.145 N#CC(C#N)Sc1ccc(cn1)O 62a_100000722193_100000744096 [0,1,0,0,0,1|2,0,0]=4 1117 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200025704644 [0,1,0,0,0,1|2,0,0]=4 1118 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200025704644 [0,1,0,0,0,1|2,0,0]=4 1119 B13R1.249 C#CC(C)(C)Nc1ccc(cc1)O 34a_100000185829_100000038118 [0,1,0,0,0,1|2,0,0]=4 1120 B13R1.249 C#CC(C)(C)Sc1ccc(cc1)O 62a_100000038118_100000185759 [0,1,0,0,0,1|2,0,0]=4 1121 B13R1.249 CC(C)(C#N)Nc1ccc(cc1)Br 34a_100000210018_100011162410 [0,1,0,0,0,1|2,0,0]=4 1122 B13R1.249 CC(C)(C#N)Nc1ccc(cc1)Cl 34a_100000210052_100011162410 [0,1,0,0,0,1|2,0,0]=4 1123 B13R1.249 CC(C)(C#N)Nc1ccc(cc1)F 34a_100000185862_100011162410 [0,1,0,0,0,1|2,0,0]=4 1124 B13R1.249 CC(C)(C#N)Nc1ccc(cc1)I 34a_100000185761_100011162410 [0,1,0,0,0,1|2,0,0]=4 1125 B13R1.249 CC(C)(C#N)Nc1ccc(cc1)O 34a_100000185829_100011162410 [0,1,0,0,0,1|1,0,0]=3 1126 B13R1.249 CC(C)(C#N)Oc1ccc(cc1)Br 34a_100000185759_100011162410 [0,1,0,0,0,1|2,0,0]=4 1127 B13R1.249 CC(C)(C#N)Oc1ccc(cc1)Br 7a_100000185759_100011162410 [0,1,0,0,0,1|2,0,0]=4 1128 B13R1.249 CC(C)(C#N)Oc1ccc(cc1)Cl 34a_100000210216_100011162410 [0,1,0,0,0,1|2,0,0]=4 1129 B13R1.249 CC(C)(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100011162410 [0,1,0,0,0,1|2,0,0]=4 1130 B13R1.249 CC(C)(C#N)Oc1ccc(cc1)F 34a_100000210339_100011162410 [0,1,0,0,0,1|2,0,0]=4 1131 B13R1.249 CC(C)(C#N)Oc1ccc(cc1)I 34a_100000212066_100011162410 [0,1,0,0,0,1|2,0,0]=4 1132 B13R1.249 CC(C)(C#N)Oc1ccc(cc1)I 7a_100000212066_100011162410 [0,1,0,0,0,1|2,0,0]=4 1133 B13R1.249 CC(C)(C#N)Oc1ccc(cc1)N 34a_100000185829_100011162410 [0,1,0,0,0,1|2,0,0]=4 1134 B13R1.249 CC(C)(C#N)Sc1ccc(cc1)Br 62a_100000752885_100011162410 [0,1,0,0,0,1|2,0,0]=4 1135 B13R1.249 CC(C)(C#N)Sc1ccc(cc1)Br 62a_100011162410_100000752885 [0,1,0,0,0,1|2,0,0]=4 1136 B13R1.249 CC(C)(C#N)Sc1ccc(cc1)Cl 62a_100000755918_100011162410 [0,1,0,0,0,1|2,0,0]=4 1137 B13R1.249 CC(C)(C#N)Sc1ccc(cc1)Cl 62a_100011162410_100000755918 [0,1,0,0,0,1|2,0,0]=4 1138 B13R1.249 CC(C)(C#N)Sc1ccc(cc1)F 62a_100000211213_100011162410 [0,1,0,0,0,1|2,0,0]=4 1139 B13R1.249 CC(C)(C#N)Sc1ccc(cc1)F 62a_100011162410_100000211213 [0,1,0,0,0,1|2,0,0]=4 1140 B13R1.249 CC(C)(C#N)Sc1ccc(cc1)N 62a_100000185761_100011162410 [0,1,0,0,0,1|2,0,0]=4 1141 B13R1.249 CC(C)(C#N)Sc1ccc(cc1)N 62a_100011162410_100000185761 [0,1,0,0,0,1|2,0,0]=4 1142 B13R1.249 CC(C)(C#N)Sc1ccc(cc1)O 62a_100011162410_100000185759 [0,1,0,0,0,1|1,0,0]=3 1143 B13R1.249 CC(C)(C#N)Sc1ccc(cn1)O 62a_100000685995_100011162410 [0,1,0,0,0,1|2,0,0]=4 1144 B13R1.249 CC(C)(C#N)Sc1ccc(cn1)O 62a_100011162410_100000744096 [0,1,0,0,0,1|2,0,0]=4 1145 B13R1.249 Cc1ccc(cc1)NC(C)(C)C#N 34a_100000124888_100011162410 [0,1,0,0,0,1|2,0,0]=4 1146 B13R1.249 Cc1ccc(cc1)OC(C)(C)C#N 34a_100000210336_100011162410 [0,1,0,0,0,1|2,0,0]=4 1147 B13R1.249 Cc1ccc(cc1)OC(C)(C)C#N 7a_100000210336_100011162410 [0,1,0,0,0,1|2,0,0]=4 1148 B13R1.249 Cc1ccc(cc1)SC(C)(C)C#N 62a_100000186775_100011162410 [0,1,0,0,0,1|2,0,0]=4 1149 B13R1.249 Cc1ccc(cc1)SC(C)(C)C#N 62a_100011162410_100000186775 [0,1,0,0,0,1|2,0,0]=4 1150 B13R1.2679 C#CC(C)Nc1ccc(cc1Br)O 34a_100012001276_200000035995 [0,1,0,0,0,1|2,0,0]=4 1151 B13R1.2679 C#CC(C)Nc1ccc(cc1C)O 34a_100000756630_200000035995 [0,1,0,0,0,1|2,0,0]=4 1152 B13R1.2679 C#CC(C)Nc1ccc(cc1Cl)O 34a_100011215599_200000035995 [0,1,0,0,0,1|2,0,0]=4 1153 B13R1.2679 C#CC(C)Nc1ccc(cc1F)O 34a_100000759473_200000035995 [0,1,0,0,0,1|2,0,0]=4 1154 B13R1.2679 C#CC(C)Nc1ccc(cc1I)O 34a_100010084370_200000035995 [0,1,0,0,0,1|2,0,0]=4 1155 B13R1.2679 C#CC(C)Nc1ccc(cc1O)O 34a_100000106777_200000035995 [0,1,0,0,0,1|2,0,0]=4 1156 B13R1.2679 C#CC(C)Sc1ccc(cc1Br)O 62a_200000035995_100000701344 [0,1,0,0,0,1|2,0,0]=4 1157 B13R1.2679 C#CC(C)Sc1ccc(cc1C)O 62a_200000035995_100000690111 [0,1,0,0,0,1|2,0,0]=4 1158 B13R1.2679 C#CC(C)Sc1ccc(cc1Cl)O 62a_200000035995_100000047559 [0,1,0,0,0,1|2,0,0]=4 1159 B13R1.2679 C#CC(C)Sc1ccc(cc1F)O 62a_200000035995_100000755031 [0,1,0,0,0,1|2,0,0]=4 1160 B13R1.2679 C#CC(C)Sc1ccc(cc1N)O 62a_200000035995_100011999798 [0,1,0,0,0,1|2,0,0]=4 1161 B13R1.2679 C#CC(C)Sc1ccc(cc1O)O 62a_200000035995_100009813921 [0,1,0,0,0,1|2,0,0]=4 1162 B13R1.2679 CC(=Cc1ccc(cc1I)O)C#N 6a_100000051608_200000212204 [0,1,0,0,0,1|1,0,1]=4 1163 B13R1.2679 CC(C#N)Oc1ccc(cc1Br)Br 7a_100000188717_100000703298 [0,1,0,0,0,1|2,0,0]=4 1164 B13R1.2679 CC(C#N)Oc1ccc(cc1Br)Cl 7a_100000211998_100000703298 [0,1,0,0,0,1|2,0,0]=4 1165 B13R1.2679 CC(C#N)Oc1ccc(cc1Br)F 7a_100000211999_100000703298 [0,1,0,0,0,1|2,0,0]=4 1166 B13R1.2679 CC(C#N)Oc1ccc(cc1Br)I 7a_100012361655_100000703298 [0,1,0,0,0,1|2,0,0]=4 1167 B13R1.2679 CC(C#N)Oc1ccc(cc1Br)N 7a_100011534360_100000703298 [0,1,0,0,0,1|2,0,0]=4 1168 B13R1.2679 CC(C#N)Oc1ccc(cc1Cl)Br 7a_100000186472_100000703298 [0,1,0,0,0,1|2,0,0]=4 1169 B13R1.2679 CC(C#N)Oc1ccc(cc1Cl)Cl 7a_100015191787_100000703298 [0,1,0,0,0,1|2,0,0]=4 1170 B13R1.2679 CC(C#N)Oc1ccc(cc1Cl)F 7a_100000212004_100000703298 [0,1,0,0,0,1|2,0,0]=4 1171 B13R1.2679 CC(C#N)Oc1ccc(cc1Cl)I 7a_100012360047_100000703298 [0,1,0,0,0,1|2,0,0]=4 1172 B13R1.2679 CC(C#N)Oc1ccc(cc1Cl)N 7a_100000744943_100000703298 [0,1,0,0,0,1|2,0,0]=4 1173 B13R1.2679 CC(C#N)Oc1ccc(cc1F)Br 7a_100000185481_100000703298 [0,1,0,0,0,1|2,0,0]=4 1174 B13R1.2679 CC(C#N)Oc1ccc(cc1F)Cl 7a_100000230166_100000703298 [0,1,0,0,0,1|2,0,0]=4 1175 B13R1.2679 CC(C#N)Oc1ccc(cc1F)F 7a_100000230127_100000703298 [0,1,0,0,0,1|2,0,0]=4 1176 B13R1.2679 CC(C#N)Oc1ccc(cc1F)I 7a_100011356965_100000703298 [0,1,0,0,0,1|2,0,0]=4 1177 B13R1.2679 CC(C#N)Oc1ccc(cc1F)N 7a_100011220035_100000703298 [0,1,0,0,0,1|2,0,0]=4 1178 B13R1.2679 CC(C#N)Oc1ccc(cc1I)Br 7a_100012355227_100000703298 [0,1,0,0,0,1|2,0,0]=4 1179 B13R1.2679 CC(C#N)Oc1ccc(cc1I)Cl 7a_100011356953_100000703298 [0,1,0,0,0,1|2,0,0]=4 1180 B13R1.2679 CC(C#N)Oc1ccc(cc1I)F 7a_100012355409_100000703298 [0,1,0,0,0,1|2,0,0]=4 1181 B13R1.2679 CC(C#N)Oc1ccc(cc1I)I 7a_100010001573_100000703298 [0,1,0,0,0,1|2,0,0]=4 1182 B13R1.2679 CC(C#N)Oc1ccc(cc1N)Br 7a_100000752626_100000703298 [0,1,0,0,0,1|2,0,0]=4 1183 B13R1.2679 CC(C#N)Oc1ccc(cc1N)Cl 7a_100000210500_100000703298 [0,1,0,0,0,1|2,0,0]=4 1184 B13R1.2679 CC(C#N)Oc1ccc(cc1N)F 7a_100000759472_100000703298 [0,1,0,0,0,1|2,0,0]=4 1185 B13R1.2679 CC(C#N)Oc1ccc(cc1N)I 7a_100000753495_100000703298 [0,1,0,0,0,1|2,0,0]=4 1186 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)Br 62a_100000703298_100011484698 [0,1,0,0,0,1|2,0,0]=4 1187 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)Br 62a_100011484698_100000703298 [0,1,0,0,0,1|2,0,0]=4 1188 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)Cl 62a_100000703298_100011219703 [0,1,0,0,0,1|2,0,0]=4 1189 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)Cl 62a_100011219703_100000703298 [0,1,0,0,0,1|2,0,0]=4 1190 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)F 62a_100000703298_100011217111 [0,1,0,0,0,1|2,0,0]=4 1191 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)F 62a_100011217111_100000703298 [0,1,0,0,0,1|2,0,0]=4 1192 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)N 62a_100000703298_100000750458 [0,1,0,0,0,1|2,0,0]=4 1193 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)N 62a_100000750458_100000703298 [0,1,0,0,0,1|2,0,0]=4 1194 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)O 62a_100000701344_100000703298 [0,1,0,0,0,1|1,0,0]=3 1195 B13R1.2679 CC(C#N)Sc1ccc(cc1Br)O 62a_100000703298_100000701344 [0,1,0,0,0,1|1,0,0]=3 1196 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)Br 62a_100000703298_100011216062 [0,1,0,0,0,1|2,0,0]=4 1197 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)Br 62a_100011216062_100000703298 [0,1,0,0,0,1|2,0,0]=4 1198 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)Cl 62a_100000699841_100000703298 [0,1,0,0,0,1|2,0,0]=4 1199 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)Cl 62a_100000703298_100000699841 [0,1,0,0,0,1|2,0,0]=4 1200 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)F 62a_100000703298_100000733362 [0,1,0,0,0,1|2,0,0]=4 1201 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)F 62a_100000733362_100000703298 [0,1,0,0,0,1|2,0,0]=4 1202 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)N 62a_100000703298_100000761885 [0,1,0,0,0,1|2,0,0]=4 1203 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)N 62a_100000761885_100000703298 [0,1,0,0,0,1|2,0,0]=4 1204 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)O 62a_100000047559_100000703298 [0,1,0,0,0,1|1,0,0]=3 1205 B13R1.2679 CC(C#N)Sc1ccc(cc1Cl)O 62a_100000703298_100000047559 [0,1,0,0,0,1|1,0,0]=3 1206 B13R1.2679 CC(C#N)Sc1ccc(cc1F)Br 62a_100000703298_100009814013 [0,1,0,0,0,1|2,0,0]=4 1207 B13R1.2679 CC(C#N)Sc1ccc(cc1F)Br 62a_100009814013_100000703298 [0,1,0,0,0,1|2,0,0]=4 1208 B13R1.2679 CC(C#N)Sc1ccc(cc1F)Cl 62a_100000703298_100011216042 [0,1,0,0,0,1|2,0,0]=4 1209 B13R1.2679 CC(C#N)Sc1ccc(cc1F)Cl 62a_100011216042_100000703298 [0,1,0,0,0,1|2,0,0]=4 1210 B13R1.2679 CC(C#N)Sc1ccc(cc1F)F 62a_100000703298_100000750030 [0,1,0,0,0,1|2,0,0]=4 1211 B13R1.2679 CC(C#N)Sc1ccc(cc1F)F 62a_100000750030_100000703298 [0,1,0,0,0,1|2,0,0]=4 1212 B13R1.2679 CC(C#N)Sc1ccc(cc1F)N 62a_100000703298_100011356925 [0,1,0,0,0,1|2,0,0]=4 1213 B13R1.2679 CC(C#N)Sc1ccc(cc1F)N 62a_100011356925_100000703298 [0,1,0,0,0,1|2,0,0]=4 1214 B13R1.2679 CC(C#N)Sc1ccc(cc1F)O 62a_100000703298_100000755031 [0,1,0,0,0,1|1,0,0]=3 1215 B13R1.2679 CC(C#N)Sc1ccc(cc1F)O 62a_100000755031_100000703298 [0,1,0,0,0,1|1,0,0]=3 1216 B13R1.2679 CC(C#N)Sc1ccc(cc1N)Br 62a_100000703298_100000743836 [0,1,0,0,0,1|2,0,0]=4 1217 B13R1.2679 CC(C#N)Sc1ccc(cc1N)Br 62a_100000743836_100000703298 [0,1,0,0,0,1|2,0,0]=4 1218 B13R1.2679 CC(C#N)Sc1ccc(cc1N)Cl 62a_100000703298_100000761886 [0,1,0,0,0,1|2,0,0]=4 1219 B13R1.2679 CC(C#N)Sc1ccc(cc1N)Cl 62a_100000761886_100000703298 [0,1,0,0,0,1|2,0,0]=4 1220 B13R1.2679 CC(C#N)Sc1ccc(cc1N)F 62a_100000687223_100000703298 [0,1,0,0,0,1|2,0,0]=4 1221 B13R1.2679 CC(C#N)Sc1ccc(cc1N)F 62a_100000703298_100000687223 [0,1,0,0,0,1|2,0,0]=4 1222 B13R1.2679 CC(C#N)Sc1ccc(cc1N)N 62a_100000703298_200012175722 [0,1,0,0,0,1|2,0,0]=4 1223 B13R1.2679 CC(C#N)Sc1ccc(cc1N)N 62a_200012175722_100000703298 [0,1,0,0,0,1|2,0,0]=4 1224 B13R1.2679 CC(C#N)Sc1ccc(cc1N)O 62a_100000703298_100011999798 [0,1,0,0,0,1|1,0,0]=3 1225 B13R1.2679 CC(C#N)Sc1ccc(cc1N)O 62a_100011999798_100000703298 [0,1,0,0,0,1|1,0,0]=3 1226 B13R1.2679 CC(C#N)Sc1ccc(cc1O)Br 62a_100000703298_100012344904 [0,1,0,0,0,1|2,0,0]=4 1227 B13R1.2679 CC(C#N)Sc1ccc(cc1O)Br 62a_100012344904_100000703298 [0,1,0,0,0,1|2,0,0]=4 1228 B13R1.2679 CC(C#N)Sc1ccc(cc1O)Cl 62a_100000050036_100000703298 [0,1,0,0,0,1|2,0,0]=4 1229 B13R1.2679 CC(C#N)Sc1ccc(cc1O)Cl 62a_100000703298_100000050036 [0,1,0,0,0,1|2,0,0]=4 1230 B13R1.2679 CC(C#N)Sc1ccc(cc1O)F 62a_100000690578_100000703298 [0,1,0,0,0,1|2,0,0]=4 1231 B13R1.2679 CC(C#N)Sc1ccc(cc1O)F 62a_100000703298_100000690578 [0,1,0,0,0,1|2,0,0]=4 1232 B13R1.2679 CC(C#N)Sc1ccc(cc1O)O 62a_100000703298_100009813921 [0,1,0,0,0,1|1,0,0]=3 1233 B13R1.2679 CC(C#N)Sc1ccc(nc1F)O 62a_100000703298_100009879308 [0,1,0,0,0,1|2,0,0]=4 1234 B13R1.2679 CC(C#N)Sc1ccc(nc1F)O 62a_100009879308_100000703298 [0,1,0,0,0,1|2,0,0]=4 1235 B13R1.2679 CC(C#N)Sc1ncc(cc1F)O 62a_100000703298_100000063512 [0,1,0,0,0,1|2,0,0]=4 1236 B13R1.2679 Cc1cc(ccc1NC(C)C#N)Br 7a_100000211769_100000703298 [0,1,0,0,0,1|2,0,0]=4 1237 B13R1.2679 Cc1cc(ccc1NC(C)C#N)Cl 7a_100000210418_100000703298 [0,1,0,0,0,1|2,0,0]=4 1238 B13R1.2679 Cc1cc(ccc1NC(C)C#N)F 7a_100000211637_100000703298 [0,1,0,0,0,1|2,0,0]=4 1239 B13R1.2679 Cc1cc(ccc1NC(C)C#N)I 7a_100000184554_100000703298 [0,1,0,0,0,1|2,0,0]=4 1240 B13R1.2679 Cc1cc(ccc1OC(C)C#N)Br 7a_100000186361_100000703298 [0,1,0,0,0,1|2,0,0]=4 1241 B13R1.2679 Cc1cc(ccc1OC(C)C#N)Cl 7a_100000211091_100000703298 [0,1,0,0,0,1|2,0,0]=4 1242 B13R1.2679 Cc1cc(ccc1OC(C)C#N)F 7a_100000764316_100000703298 [0,1,0,0,0,1|2,0,0]=4 1243 B13R1.2679 Cc1cc(ccc1OC(C)C#N)I 7a_100011218673_100000703298 [0,1,0,0,0,1|2,0,0]=4 1244 B13R1.2679 Cc1cc(ccc1OC(C)C#N)N 7a_100011218179_100000703298 [0,1,0,0,0,1|2,0,0]=4 1245 B13R1.2679 Cc1cc(ccc1SC(C)C#N)Br 62a_100000701812_100000703298 [0,1,0,0,0,1|2,0,0]=4 1246 B13R1.2679 Cc1cc(ccc1SC(C)C#N)Br 62a_100000703298_100000701812 [0,1,0,0,0,1|2,0,0]=4 1247 B13R1.2679 Cc1cc(ccc1SC(C)C#N)Cl 62a_100000703298_100011219607 [0,1,0,0,0,1|2,0,0]=4 1248 B13R1.2679 Cc1cc(ccc1SC(C)C#N)Cl 62a_100011219607_100000703298 [0,1,0,0,0,1|2,0,0]=4 1249 B13R1.2679 Cc1cc(ccc1SC(C)C#N)F 62a_100000703298_100011205405 [0,1,0,0,0,1|2,0,0]=4 1250 B13R1.2679 Cc1cc(ccc1SC(C)C#N)F 62a_100011205405_100000703298 [0,1,0,0,0,1|2,0,0]=4 1251 B13R1.2679 Cc1cc(ccc1SC(C)C#N)N 62a_100000210723_100000703298 [0,1,0,0,0,1|2,0,0]=4 1252 B13R1.2679 Cc1cc(ccc1SC(C)C#N)N 62a_100000703298_100000210723 [0,1,0,0,0,1|2,0,0]=4 1253 B13R1.2679 Cc1cc(ccc1SC(C)C#N)O 62a_100000703298_100000690111 [0,1,0,0,0,1|1,0,0]=3 1254 B13R1.2679 Cc1cc(ccc1SC(F)C#N)Br 62a_100000701812_200000117898 [0,1,0,0,0,1|2,0,0]=4 1255 B13R1.2679 Cc1cc(ccc1SC(F)C#N)Br 62a_200000117898_100000701812 [0,1,0,0,0,1|2,0,0]=4 1256 B13R1.2679 Cc1cc(ccc1SC(F)C#N)Cl 62a_100011219607_200000117898 [0,1,0,0,0,1|2,0,0]=4 1257 B13R1.2679 Cc1cc(ccc1SC(F)C#N)Cl 62a_200000117898_100011219607 [0,1,0,0,0,1|2,0,0]=4 1258 B13R1.2679 Cc1cc(ccc1SC(F)C#N)F 62a_100011205405_200000117898 [0,1,0,0,0,1|2,0,0]=4 1259 B13R1.2679 Cc1cc(ccc1SC(F)C#N)F 62a_200000117898_100011205405 [0,1,0,0,0,1|2,0,0]=4 1260 B13R1.2679 Cc1cc(ccc1SC(F)C#N)N 62a_100000210723_200000117898 [0,1,0,0,0,1|2,0,0]=4 1261 B13R1.2679 Cc1cc(ccc1SC(F)C#N)N 62a_200000117898_100000210723 [0,1,0,0,0,1|2,0,0]=4 1262 B13R1.2679 Cc1cc(ccc1SC(F)C#N)O 62a_200000117898_100000690111 [0,1,0,0,0,1|1,0,0]=3 1263 B13R1.2679 Cc1cc(cnc1SC(C)C#N)O 62a_100000703298_100012000486 [0,1,0,0,0,1|2,0,0]=4 1264 B13R1.2679 Cc1cc(cnc1SC(C)C#N)O 62a_100012000486_100000703298 [0,1,0,0,0,1|2,0,0]=4 1265 B13R1.2679 Cc1cc(cnc1SC(F)C#N)O 62a_100012000486_200000117898 [0,1,0,0,0,1|2,0,0]=4 1266 B13R1.2679 Cc1cc(cnc1SC(F)C#N)O 62a_200000117898_100012000486 [0,1,0,0,0,1|2,0,0]=4 1267 B13R1.2679 Cc1cc(ncc1SC(C)C#N)O 62a_100000703298_100000766222 [0,1,0,0,0,1|2,0,0]=4 1268 B13R1.2679 Cc1cc(ncc1SC(C)C#N)O 62a_100000766222_100000703298 [0,1,0,0,0,1|2,0,0]=4 1269 B13R1.2679 Cc1cc(ncc1SC(F)C#N)O 62a_100000766222_200000117898 [0,1,0,0,0,1|2,0,0]=4 1270 B13R1.2679 Cc1cc(ncc1SC(F)C#N)O 62a_200000117898_100000766222 [0,1,0,0,0,1|2,0,0]=4 1271 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)C#N 7a_100000210800_100000703298 [0,1,0,0,0,1|2,0,0]=4 1272 B13R1.2679 Cc1ccc(c(c1)Br)SC(C)C#N 62a_100000703298_100009813563 [0,1,0,0,0,1|2,0,0]=4 1273 B13R1.2679 Cc1ccc(c(c1)Br)SC(C)C#N 62a_100009813563_100000703298 [0,1,0,0,0,1|2,0,0]=4 1274 B13R1.2679 Cc1ccc(c(c1)Br)SC(F)C#N 62a_100009813563_200000117898 [0,1,0,0,0,1|2,0,0]=4 1275 B13R1.2679 Cc1ccc(c(c1)Br)SC(F)C#N 62a_200000117898_100009813563 [0,1,0,0,0,1|2,0,0]=4 1276 B13R1.2679 Cc1ccc(c(c1)C)NC(C)C#N 7a_100000736561_100000703298 [0,1,0,0,0,1|2,0,0]=4 1277 B13R1.2679 Cc1ccc(c(c1)C)OC(C)C#N 7a_100000211776_100000703298 [0,1,0,0,0,1|2,0,0]=4 1278 B13R1.2679 Cc1ccc(c(c1)C)SC(C)C#N 62a_100000703298_100011217332 [0,1,0,0,0,1|2,0,0]=4 1279 B13R1.2679 Cc1ccc(c(c1)C)SC(C)C#N 62a_100011217332_100000703298 [0,1,0,0,0,1|2,0,0]=4 1280 B13R1.2679 Cc1ccc(c(c1)C)SC(F)C#N 62a_100011217332_200000117898 [0,1,0,0,0,1|2,0,0]=4 1281 B13R1.2679 Cc1ccc(c(c1)C)SC(F)C#N 62a_200000117898_100011217332 [0,1,0,0,0,1|2,0,0]=4 1282 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)C#N 7a_100000749699_100000703298 [0,1,0,0,0,1|2,0,0]=4 1283 B13R1.2679 Cc1ccc(c(c1)Cl)SC(C)C#N 62a_100000703298_100011263221 [0,1,0,0,0,1|2,0,0]=4 1284 B13R1.2679 Cc1ccc(c(c1)Cl)SC(C)C#N 62a_100011263221_100000703298 [0,1,0,0,0,1|2,0,0]=4 1285 B13R1.2679 Cc1ccc(c(c1)Cl)SC(F)C#N 62a_100011263221_200000117898 [0,1,0,0,0,1|2,0,0]=4 1286 B13R1.2679 Cc1ccc(c(c1)Cl)SC(F)C#N 62a_200000117898_100011263221 [0,1,0,0,0,1|2,0,0]=4 1287 B13R1.2679 Cc1ccc(c(c1)F)OC(C)C#N 7a_100011216688_100000703298 [0,1,0,0,0,1|2,0,0]=4 1288 B13R1.2679 Cc1ccc(c(c1)F)SC(C)C#N 62a_100000703298_100011216119 [0,1,0,0,0,1|2,0,0]=4 1289 B13R1.2679 Cc1ccc(c(c1)F)SC(C)C#N 62a_100011216119_100000703298 [0,1,0,0,0,1|2,0,0]=4 1290 B13R1.2679 Cc1ccc(c(c1)F)SC(F)C#N 62a_100011216119_200000117898 [0,1,0,0,0,1|2,0,0]=4 1291 B13R1.2679 Cc1ccc(c(c1)F)SC(F)C#N 62a_200000117898_100011216119 [0,1,0,0,0,1|2,0,0]=4 1292 B13R1.2679 Cc1ccc(c(c1)I)OC(C)C#N 7a_100000765521_100000703298 [0,1,0,0,0,1|2,0,0]=4 1293 B13R1.2679 Cc1ccc(c(c1)N)OC(C)C#N 7a_100011215204_100000703298 [0,1,0,0,0,1|2,0,0]=4 1294 B13R1.2679 Cc1ccc(c(c1)N)SC(C)C#N 62a_100000703298_100011216686 [0,1,0,0,0,1|2,0,0]=4 1295 B13R1.2679 Cc1ccc(c(c1)N)SC(C)C#N 62a_100011216686_100000703298 [0,1,0,0,0,1|2,0,0]=4 1296 B13R1.2679 Cc1ccc(c(c1)N)SC(F)C#N 62a_100011216686_200000117898 [0,1,0,0,0,1|2,0,0]=4 1297 B13R1.2679 Cc1ccc(c(c1)N)SC(F)C#N 62a_200000117898_100011216686 [0,1,0,0,0,1|2,0,0]=4 1298 B13R1.2679 Cc1ccc(c(c1)O)SC(C)C#N 62a_100000703298_100012002257 [0,1,0,0,0,1|2,0,0]=4 1299 B13R1.2679 Cc1ccc(c(c1)O)SC(C)C#N 62a_100012002257_100000703298 [0,1,0,0,0,1|2,0,0]=4 1300 B13R1.2679 Cc1ccc(c(c1)O)SC(F)C#N 62a_100012002257_200000117898 [0,1,0,0,0,1|2,0,0]=4 1301 B13R1.2679 Cc1ccc(c(c1)O)SC(F)C#N 62a_200000117898_100012002257 [0,1,0,0,0,1|2,0,0]=4 1302 B13R1.2679 Cc1nc(ccc1SC(C)C#N)O 62a_100000691680_100000703298 [0,1,0,0,0,1|2,0,0]=4 1303 B13R1.2679 Cc1nc(ccc1SC(C)C#N)O 62a_100000703298_100000691680 [0,1,0,0,0,1|2,0,0]=4 1304 B13R1.2679 Cc1nc(ccc1SC(F)C#N)O 62a_100000691680_200000117898 [0,1,0,0,0,1|2,0,0]=4 1305 B13R1.2679 Cc1nc(ccc1SC(F)C#N)O 62a_200000117898_100000691680 [0,1,0,0,0,1|2,0,0]=4 1306 B13R1.2679 N#CC(=Cc1ccc(cc1I)O)F 6a_100000051608_200000032654 [0,1,0,0,0,1|1,0,1]=4 1307 B13R1.2679 N#CC(F)Sc1ccc(cc1Br)Br 62a_100011484698_200000117898 [0,1,0,0,0,1|2,0,0]=4 1308 B13R1.2679 N#CC(F)Sc1ccc(cc1Br)Br 62a_200000117898_100011484698 [0,1,0,0,0,1|2,0,0]=4 1309 B13R1.2679 N#CC(F)Sc1ccc(cc1Br)Cl 62a_100011219703_200000117898 [0,1,0,0,0,1|2,0,0]=4 1310 B13R1.2679 N#CC(F)Sc1ccc(cc1Br)Cl 62a_200000117898_100011219703 [0,1,0,0,0,1|2,0,0]=4 1311 B13R1.2679 N#CC(F)Sc1ccc(cc1Br)F 62a_100011217111_200000117898 [0,1,0,0,0,1|2,0,0]=4 1312 B13R1.2679 N#CC(F)Sc1ccc(cc1Br)F 62a_200000117898_100011217111 [0,1,0,0,0,1|2,0,0]=4 1313 B13R1.2679 N#CC(F)Sc1ccc(cc1Br)N 62a_100000750458_200000117898 [0,1,0,0,0,1|2,0,0]=4 1314 B13R1.2679 N#CC(F)Sc1ccc(cc1Br)N 62a_200000117898_100000750458 [0,1,0,0,0,1|2,0,0]=4 1315 B13R1.2679 N#CC(F)Sc1ccc(cc1Br)O 62a_100000701344_200000117898 [0,1,0,0,0,1|1,0,0]=3 1316 B13R1.2679 N#CC(F)Sc1ccc(cc1Br)O 62a_200000117898_100000701344 [0,1,0,0,0,1|1,0,0]=3 1317 B13R1.2679 N#CC(F)Sc1ccc(cc1Cl)Br 62a_100011216062_200000117898 [0,1,0,0,0,1|2,0,0]=4 1318 B13R1.2679 N#CC(F)Sc1ccc(cc1Cl)Br 62a_200000117898_100011216062 [0,1,0,0,0,1|2,0,0]=4 1319 B13R1.2679 N#CC(F)Sc1ccc(cc1Cl)Cl 62a_100000699841_200000117898 [0,1,0,0,0,1|2,0,0]=4 1320 B13R1.2679 N#CC(F)Sc1ccc(cc1Cl)Cl 62a_200000117898_100000699841 [0,1,0,0,0,1|2,0,0]=4 1321 B13R1.2679 N#CC(F)Sc1ccc(cc1Cl)F 62a_100000733362_200000117898 [0,1,0,0,0,1|2,0,0]=4 1322 B13R1.2679 N#CC(F)Sc1ccc(cc1Cl)F 62a_200000117898_100000733362 [0,1,0,0,0,1|2,0,0]=4 1323 B13R1.2679 N#CC(F)Sc1ccc(cc1Cl)N 62a_100000761885_200000117898 [0,1,0,0,0,1|2,0,0]=4 1324 B13R1.2679 N#CC(F)Sc1ccc(cc1Cl)N 62a_200000117898_100000761885 [0,1,0,0,0,1|2,0,0]=4 1325 B13R1.2679 N#CC(F)Sc1ccc(cc1Cl)O 62a_100000047559_200000117898 [0,1,0,0,0,1|1,0,0]=3 1326 B13R1.2679 N#CC(F)Sc1ccc(cc1Cl)O 62a_200000117898_100000047559 [0,1,0,0,0,1|1,0,0]=3 1327 B13R1.2679 N#CC(F)Sc1ccc(cc1F)Br 62a_100009814013_200000117898 [0,1,0,0,0,1|2,0,0]=4 1328 B13R1.2679 N#CC(F)Sc1ccc(cc1F)Br 62a_200000117898_100009814013 [0,1,0,0,0,1|2,0,0]=4 1329 B13R1.2679 N#CC(F)Sc1ccc(cc1F)Cl 62a_100011216042_200000117898 [0,1,0,0,0,1|2,0,0]=4 1330 B13R1.2679 N#CC(F)Sc1ccc(cc1F)Cl 62a_200000117898_100011216042 [0,1,0,0,0,1|2,0,0]=4 1331 B13R1.2679 N#CC(F)Sc1ccc(cc1F)F 62a_100000750030_200000117898 [0,1,0,0,0,1|2,0,0]=4 1332 B13R1.2679 N#CC(F)Sc1ccc(cc1F)F 62a_200000117898_100000750030 [0,1,0,0,0,1|2,0,0]=4 1333 B13R1.2679 N#CC(F)Sc1ccc(cc1F)N 62a_100011356925_200000117898 [0,1,0,0,0,1|2,0,0]=4 1334 B13R1.2679 N#CC(F)Sc1ccc(cc1F)N 62a_200000117898_100011356925 [0,1,0,0,0,1|2,0,0]=4 1335 B13R1.2679 N#CC(F)Sc1ccc(cc1F)O 62a_100000755031_200000117898 [0,1,0,0,0,1|1,0,0]=3 1336 B13R1.2679 N#CC(F)Sc1ccc(cc1F)O 62a_200000117898_100000755031 [0,1,0,0,0,1|1,0,0]=3 1337 B13R1.2679 N#CC(F)Sc1ccc(cc1N)Br 62a_100000743836_200000117898 [0,1,0,0,0,1|2,0,0]=4 1338 B13R1.2679 N#CC(F)Sc1ccc(cc1N)Br 62a_200000117898_100000743836 [0,1,0,0,0,1|2,0,0]=4 1339 B13R1.2679 N#CC(F)Sc1ccc(cc1N)Cl 62a_100000761886_200000117898 [0,1,0,0,0,1|2,0,0]=4 1340 B13R1.2679 N#CC(F)Sc1ccc(cc1N)Cl 62a_200000117898_100000761886 [0,1,0,0,0,1|2,0,0]=4 1341 B13R1.2679 N#CC(F)Sc1ccc(cc1N)F 62a_100000687223_200000117898 [0,1,0,0,0,1|2,0,0]=4 1342 B13R1.2679 N#CC(F)Sc1ccc(cc1N)F 62a_200000117898_100000687223 [0,1,0,0,0,1|2,0,0]=4 1343 B13R1.2679 N#CC(F)Sc1ccc(cc1N)N 62a_200000117898_200012175722 [0,1,0,0,0,1|2,0,0]=4 1344 B13R1.2679 N#CC(F)Sc1ccc(cc1N)N 62a_200012175722_200000117898 [0,1,0,0,0,1|2,0,0]=4 1345 B13R1.2679 N#CC(F)Sc1ccc(cc1N)O 62a_100011999798_200000117898 [0,1,0,0,0,1|1,0,0]=3 1346 B13R1.2679 N#CC(F)Sc1ccc(cc1N)O 62a_200000117898_100011999798 [0,1,0,0,0,1|1,0,0]=3 1347 B13R1.2679 N#CC(F)Sc1ccc(cc1O)Br 62a_100012344904_200000117898 [0,1,0,0,0,1|2,0,0]=4 1348 B13R1.2679 N#CC(F)Sc1ccc(cc1O)Br 62a_200000117898_100012344904 [0,1,0,0,0,1|2,0,0]=4 1349 B13R1.2679 N#CC(F)Sc1ccc(cc1O)Cl 62a_100000050036_200000117898 [0,1,0,0,0,1|2,0,0]=4 1350 B13R1.2679 N#CC(F)Sc1ccc(cc1O)Cl 62a_200000117898_100000050036 [0,1,0,0,0,1|2,0,0]=4 1351 B13R1.2679 N#CC(F)Sc1ccc(cc1O)F 62a_100000690578_200000117898 [0,1,0,0,0,1|2,0,0]=4 1352 B13R1.2679 N#CC(F)Sc1ccc(cc1O)F 62a_200000117898_100000690578 [0,1,0,0,0,1|2,0,0]=4 1353 B13R1.2679 N#CC(F)Sc1ccc(cc1O)O 62a_200000117898_100009813921 [0,1,0,0,0,1|1,0,0]=3 1354 B13R1.2679 N#CC(F)Sc1ccc(nc1F)O 62a_100009879308_200000117898 [0,1,0,0,0,1|2,0,0]=4 1355 B13R1.2679 N#CC(F)Sc1ccc(nc1F)O 62a_200000117898_100009879308 [0,1,0,0,0,1|2,0,0]=4 1356 B13R1.2679 N#CC(F)Sc1ncc(cc1F)O 62a_200000117898_100000063512 [0,1,0,0,0,1|2,0,0]=4 1357 B13R1.2879 C#CC(C)Nc1ccc(c(c1)Br)O 34a_100011534360_200000035995 [0,1,0,0,0,1|2,0,0]=4 1358 B13R1.2879 C#CC(C)Nc1ccc(c(c1)C)O 34a_100011218179_200000035995 [0,1,0,0,0,1|2,0,0]=4 1359 B13R1.2879 C#CC(C)Nc1ccc(c(c1)Cl)O 34a_100000744943_200000035995 [0,1,0,0,0,1|2,0,0]=4 1360 B13R1.2879 C#CC(C)Nc1ccc(c(c1)F)O 34a_100011220035_200000035995 [0,1,0,0,0,1|2,0,0]=4 1361 B13R1.2879 C#CC(C)Nc1ccc(c(c1)O)O 34a_100102946323_200000035995 [0,1,0,0,0,1|2,0,0]=4 1362 B13R1.2879 C#CC(C)Sc1ccc(c(c1)Br)O 62a_200000035995_100012361655 [0,1,0,0,0,1|2,0,0]=4 1363 B13R1.2879 C#CC(C)Sc1ccc(c(c1)C)O 62a_200000035995_100000186361 [0,1,0,0,0,1|2,0,0]=4 1364 B13R1.2879 C#CC(C)Sc1ccc(c(c1)Cl)O 62a_200000035995_100012360047 [0,1,0,0,0,1|2,0,0]=4 1365 B13R1.2879 C#CC(C)Sc1ccc(c(c1)F)O 62a_200000035995_100000185481 [0,1,0,0,0,1|2,0,0]=4 1366 B13R1.2879 C#CC(C)Sc1ccc(c(c1)N)O 62a_200000035995_100000752626 [0,1,0,0,0,1|2,0,0]=4 1367 B13R1.2879 C#CC(C)Sc1ccc(c(c1)O)O 62a_200000035995_100009813601 [0,1,0,0,0,1|2,0,0]=4 1368 B13R1.2879 CC(=Cc1ccc(c(c1)Cl)O)C#N 6a_100000186751_200000212204 [0,1,0,0,0,1|1,0,1]=4 1369 B13R1.2879 CC(=Cc1ccc(c(c1)F)O)C#N 6a_100000742332_200000212204 [0,1,0,0,0,1|1,0,1]=4 1370 B13R1.2879 CC(=Cc1ccc(c(c1)I)O)C#N 6a_100000186752_200000212204 [0,1,0,0,0,1|1,0,1]=4 1371 B13R1.2879 CC(C#N)Nc1ccc(c(c1)Br)Br 2230a_100011306057_100000184139 [0,1,0,0,0,1|2,0,0]=4 1372 B13R1.2879 CC(C#N)Nc1ccc(c(c1)Br)Br 7a_100011306057_100000703298 [0,1,0,0,0,1|2,0,0]=4 1373 B13R1.2879 CC(C#N)Nc1ccc(c(c1)Br)Cl 2230a_100000686031_100000184139 [0,1,0,0,0,1|2,0,0]=4 1374 B13R1.2879 CC(C#N)Nc1ccc(c(c1)Br)F 2230a_100000760356_100000184139 [0,1,0,0,0,1|2,0,0]=4 1375 B13R1.2879 CC(C#N)Nc1ccc(c(c1)Br)F 7a_100000760356_100000703298 [0,1,0,0,0,1|2,0,0]=4 1376 B13R1.2879 CC(C#N)Nc1ccc(c(c1)Cl)Br 2230a_100000687081_100000184139 [0,1,0,0,0,1|2,0,0]=4 1377 B13R1.2879 CC(C#N)Nc1ccc(c(c1)Cl)Br 7a_100000687081_100000703298 [0,1,0,0,0,1|2,0,0]=4 1378 B13R1.2879 CC(C#N)Nc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000184139 [0,1,0,0,0,1|2,0,0]=4 1379 B13R1.2879 CC(C#N)Nc1ccc(c(c1)Cl)F 2230a_100000211060_100000184139 [0,1,0,0,0,1|2,0,0]=4 1380 B13R1.2879 CC(C#N)Nc1ccc(c(c1)Cl)F 7a_100000211060_100000703298 [0,1,0,0,0,1|2,0,0]=4 1381 B13R1.2879 CC(C#N)Nc1ccc(c(c1)F)Br 2230a_100000759894_100000184139 [0,1,0,0,0,1|2,0,0]=4 1382 B13R1.2879 CC(C#N)Nc1ccc(c(c1)F)Br 7a_100000759894_100000703298 [0,1,0,0,0,1|2,0,0]=4 1383 B13R1.2879 CC(C#N)Nc1ccc(c(c1)F)Cl 2230a_100000739366_100000184139 [0,1,0,0,0,1|2,0,0]=4 1384 B13R1.2879 CC(C#N)Nc1ccc(c(c1)F)Cl 7a_100000739366_100000703298 [0,1,0,0,0,1|2,0,0]=4 1385 B13R1.2879 CC(C#N)Nc1ccc(c(c1)F)F 2230a_100000210724_100000184139 [0,1,0,0,0,1|2,0,0]=4 1386 B13R1.2879 CC(C#N)Nc1ccc(c(c1)F)F 7a_100000210724_100000703298 [0,1,0,0,0,1|2,0,0]=4 1387 B13R1.2879 CC(C#N)Nc1ccc(c(c1)F)I 7a_100011356925_100000703298 [0,1,0,0,0,1|2,0,0]=4 1388 B13R1.2879 CC(C#N)Nc1ccc(c(c1)F)O 7a_100011220035_100000703298 [0,1,0,0,0,1|1,0,0]=3 1389 B13R1.2879 CC(C#N)Nc1ccc(c(c1)I)F 7a_114828291077_100000703298 [0,1,0,0,0,1|2,0,0]=4 1390 B13R1.2879 CC(C#N)Nc1ccc(c(c1)O)F 7a_100012017398_100000703298 [0,1,0,0,0,1|2,0,0]=4 1391 B13R1.2879 CC(C#N)Oc1ccc(c(c1)Br)Cl 7a_100011933957_100000703298 [0,1,0,0,0,1|2,0,0]=4 1392 B13R1.2879 CC(C#N)Oc1ccc(c(c1)Br)F 7a_100000693481_100000703298 [0,1,0,0,0,1|2,0,0]=4 1393 B13R1.2879 CC(C#N)Oc1ccc(c(c1)Br)I 7a_100000701344_100000703298 [0,1,0,0,0,1|2,0,0]=4 1394 B13R1.2879 CC(C#N)Oc1ccc(c(c1)Br)N 7a_100012001276_100000703298 [0,1,0,0,0,1|2,0,0]=4 1395 B13R1.2879 CC(C#N)Oc1ccc(c(c1)Cl)Br 7a_100011215161_100000703298 [0,1,0,0,0,1|2,0,0]=4 1396 B13R1.2879 CC(C#N)Oc1ccc(c(c1)Cl)Cl 7a_100000211054_100000703298 [0,1,0,0,0,1|2,0,0]=4 1397 B13R1.2879 CC(C#N)Oc1ccc(c(c1)Cl)F 7a_100000211030_100000703298 [0,1,0,0,0,1|2,0,0]=4 1398 B13R1.2879 CC(C#N)Oc1ccc(c(c1)Cl)I 7a_100000047559_100000703298 [0,1,0,0,0,1|2,0,0]=4 1399 B13R1.2879 CC(C#N)Oc1ccc(c(c1)Cl)N 7a_100011215599_100000703298 [0,1,0,0,0,1|2,0,0]=4 1400 B13R1.2879 CC(C#N)Oc1ccc(c(c1)F)Br 7a_100000755031_100000703298 [0,1,0,0,0,1|2,0,0]=4 1401 B13R1.2879 CC(C#N)Oc1ccc(c(c1)F)Cl 7a_100000691581_100000703298 [0,1,0,0,0,1|2,0,0]=4 1402 B13R1.2879 CC(C#N)Oc1ccc(c(c1)F)F 7a_100000181275_100000703298 [0,1,0,0,0,1|2,0,0]=4 1403 B13R1.2879 CC(C#N)Oc1ccc(c(c1)F)I 7a_100009990212_100000703298 [0,1,0,0,0,1|2,0,0]=4 1404 B13R1.2879 CC(C#N)Oc1ccc(c(c1)F)N 7a_100000759473_100000703298 [0,1,0,0,0,1|2,0,0]=4 1405 B13R1.2879 CC(C#N)Oc1ccc(c(c1)I)Br 7a_100012339312_100000703298 [0,1,0,0,0,1|2,0,0]=4 1406 B13R1.2879 CC(C#N)Oc1ccc(c(c1)I)Cl 7a_100000049588_100000703298 [0,1,0,0,0,1|2,0,0]=4 1407 B13R1.2879 CC(C#N)Oc1ccc(c(c1)I)N 7a_100010084370_100000703298 [0,1,0,0,0,1|2,0,0]=4 1408 B13R1.2879 CC(C#N)Oc1ccc(c(c1)N)Br 7a_100011999798_100000703298 [0,1,0,0,0,1|2,0,0]=4 1409 B13R1.2879 CC(C#N)Oc1ccc(c(c1)N)F 7a_100012017239_100000703298 [0,1,0,0,0,1|2,0,0]=4 1410 B13R1.2879 CC(C#N)Sc1cc(c(cn1)O)N 62a_100000703298_100009819941 [0,1,0,0,0,1|2,0,0]=4 1411 B13R1.2879 CC(C#N)Sc1cc(c(cn1)O)N 62a_100009819941_100000703298 [0,1,0,0,0,1|2,0,0]=4 1412 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Br)Br 62a_100000703298_100012356285 [0,1,0,0,0,1|2,0,0]=4 1413 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Br)Br 62a_100012356285_100000703298 [0,1,0,0,0,1|2,0,0]=4 1414 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Br)Cl 62a_100000703298_100012353702 [0,1,0,0,0,1|2,0,0]=4 1415 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Br)Cl 62a_100012353702_100000703298 [0,1,0,0,0,1|2,0,0]=4 1416 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Br)F 62a_100000703298_100012047266 [0,1,0,0,0,1|2,0,0]=4 1417 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Br)F 62a_100012047266_100000703298 [0,1,0,0,0,1|2,0,0]=4 1418 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Br)N 62a_100000703298_100000750455 [0,1,0,0,0,1|2,0,0]=4 1419 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Br)N 62a_100000750455_100000703298 [0,1,0,0,0,1|2,0,0]=4 1420 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Br)O 62a_100000703298_100012361655 [0,1,0,0,0,1|1,0,0]=3 1421 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Br)O 62a_100012361655_100000703298 [0,1,0,0,0,1|1,0,0]=3 1422 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Cl)Br 62a_100000703298_100012047281 [0,1,0,0,0,1|2,0,0]=4 1423 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Cl)Br 62a_100012047281_100000703298 [0,1,0,0,0,1|2,0,0]=4 1424 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Cl)Cl 62a_100000703298_100011214914 [0,1,0,0,0,1|2,0,0]=4 1425 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Cl)Cl 62a_100011214914_100000703298 [0,1,0,0,0,1|2,0,0]=4 1426 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Cl)F 62a_100000703298_100011215976 [0,1,0,0,0,1|2,0,0]=4 1427 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Cl)F 62a_100011215976_100000703298 [0,1,0,0,0,1|2,0,0]=4 1428 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Cl)N 62a_100000703298_100011218065 [0,1,0,0,0,1|2,0,0]=4 1429 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Cl)N 62a_100011218065_100000703298 [0,1,0,0,0,1|2,0,0]=4 1430 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Cl)O 62a_100000703298_100012360047 [0,1,0,0,0,1|1,0,0]=3 1431 B13R1.2879 CC(C#N)Sc1ccc(c(c1)Cl)O 62a_100012360047_100000703298 [0,1,0,0,0,1|1,0,0]=3 1432 B13R1.2879 CC(C#N)Sc1ccc(c(c1)F)Br 62a_100000685389_100000703298 [0,1,0,0,0,1|2,0,0]=4 1433 B13R1.2879 CC(C#N)Sc1ccc(c(c1)F)Br 62a_100000703298_100000685389 [0,1,0,0,0,1|2,0,0]=4 1434 B13R1.2879 CC(C#N)Sc1ccc(c(c1)F)Cl 62a_100000703298_100011216805 [0,1,0,0,0,1|2,0,0]=4 1435 B13R1.2879 CC(C#N)Sc1ccc(c(c1)F)Cl 62a_100011216805_100000703298 [0,1,0,0,0,1|2,0,0]=4 1436 B13R1.2879 CC(C#N)Sc1ccc(c(c1)F)F 62a_100000703298_100000703953 [0,1,0,0,0,1|2,0,0]=4 1437 B13R1.2879 CC(C#N)Sc1ccc(c(c1)F)F 62a_100000703953_100000703298 [0,1,0,0,0,1|2,0,0]=4 1438 B13R1.2879 CC(C#N)Sc1ccc(c(c1)F)N 62a_100000703298_100011215594 [0,1,0,0,0,1|2,0,0]=4 1439 B13R1.2879 CC(C#N)Sc1ccc(c(c1)F)N 62a_100011215594_100000703298 [0,1,0,0,0,1|2,0,0]=4 1440 B13R1.2879 CC(C#N)Sc1ccc(c(c1)F)O 62a_100000185481_100000703298 [0,1,0,0,0,1|1,0,0]=3 1441 B13R1.2879 CC(C#N)Sc1ccc(c(c1)F)O 62a_100000703298_100000185481 [0,1,0,0,0,1|1,0,0]=3 1442 B13R1.2879 CC(C#N)Sc1ccc(c(c1)N)Br 62a_100000703298_100000750456 [0,1,0,0,0,1|2,0,0]=4 1443 B13R1.2879 CC(C#N)Sc1ccc(c(c1)N)Br 62a_100000750456_100000703298 [0,1,0,0,0,1|2,0,0]=4 1444 B13R1.2879 CC(C#N)Sc1ccc(c(c1)N)Cl 62a_100000703298_200000761891 [0,1,0,0,0,1|2,0,0]=4 1445 B13R1.2879 CC(C#N)Sc1ccc(c(c1)N)Cl 62a_200000761891_100000703298 [0,1,0,0,0,1|2,0,0]=4 1446 B13R1.2879 CC(C#N)Sc1ccc(c(c1)N)F 62a_100000703298_100000740924 [0,1,0,0,0,1|2,0,0]=4 1447 B13R1.2879 CC(C#N)Sc1ccc(c(c1)N)F 62a_100000740924_100000703298 [0,1,0,0,0,1|2,0,0]=4 1448 B13R1.2879 CC(C#N)Sc1ccc(c(c1)N)N 62a_100000703298_100011534411 [0,1,0,0,0,1|2,0,0]=4 1449 B13R1.2879 CC(C#N)Sc1ccc(c(c1)N)N 62a_100000741789_100000703298 [0,1,0,0,0,1|2,0,0]=4 1450 B13R1.2879 CC(C#N)Sc1ccc(c(c1)N)O 62a_100000703298_100000752626 [0,1,0,0,0,1|1,0,0]=3 1451 B13R1.2879 CC(C#N)Sc1ccc(c(c1)N)O 62a_100000752626_100000703298 [0,1,0,0,0,1|1,0,0]=3 1452 B13R1.2879 CC(C#N)Sc1ccc(c(c1)O)Br 62a_100000703298_100012356990 [0,1,0,0,0,1|2,0,0]=4 1453 B13R1.2879 CC(C#N)Sc1ccc(c(c1)O)Br 62a_100012356990_100000703298 [0,1,0,0,0,1|2,0,0]=4 1454 B13R1.2879 CC(C#N)Sc1ccc(c(c1)O)Cl 62a_100000703298_100011356854 [0,1,0,0,0,1|2,0,0]=4 1455 B13R1.2879 CC(C#N)Sc1ccc(c(c1)O)Cl 62a_100011356854_100000703298 [0,1,0,0,0,1|2,0,0]=4 1456 B13R1.2879 CC(C#N)Sc1ccc(c(c1)O)F 62a_100000686035_100000703298 [0,1,0,0,0,1|2,0,0]=4 1457 B13R1.2879 CC(C#N)Sc1ccc(c(c1)O)F 62a_100000703298_100000686035 [0,1,0,0,0,1|2,0,0]=4 1458 B13R1.2879 CC(C#N)Sc1ccc(c(c1)O)N 62a_100000703298_100000739049 [0,1,0,0,0,1|2,0,0]=4 1459 B13R1.2879 CC(C#N)Sc1ccc(c(c1)O)N 62a_100000739049_100000703298 [0,1,0,0,0,1|2,0,0]=4 1460 B13R1.2879 CC(C#N)Sc1ccc(c(c1)O)O 62a_100000703298_100009813601 [0,1,0,0,0,1|1,0,0]=3 1461 B13R1.2879 CC(C#N)Sc1ccc(c(n1)Br)O 62a_100000703298_100000725334 [0,1,0,0,0,1|2,0,0]=4 1462 B13R1.2879 CC(C#N)Sc1ccc(c(n1)Br)O 62a_100000725334_100000703298 [0,1,0,0,0,1|2,0,0]=4 1463 B13R1.2879 CC(C#N)Sc1ccc(c(n1)Cl)O 62a_100000703298_100000721234 [0,1,0,0,0,1|2,0,0]=4 1464 B13R1.2879 CC(C#N)Sc1ccc(c(n1)F)O 62a_100000703298_100009819667 [0,1,0,0,0,1|2,0,0]=4 1465 B13R1.2879 CC(C#N)Sc1ccc(c(n1)F)O 62a_100009819667_100000703298 [0,1,0,0,0,1|2,0,0]=4 1466 B13R1.2879 CC(C#N)Sc1ccc(c(n1)N)O 62a_100000685527_100000703298 [0,1,0,0,0,1|2,0,0]=4 1467 B13R1.2879 CC(C#N)Sc1ccc(c(n1)N)O 62a_100000703298_100000685527 [0,1,0,0,0,1|2,0,0]=4 1468 B13R1.2879 CC(C#N)Sc1cnc(c(c1)Cl)O 62a_100000703298_100010238531 [0,1,0,0,0,1|2,0,0]=4 1469 B13R1.2879 CC(C#N)Sc1cnc(c(c1)Cl)O 62a_100010238531_100000703298 [0,1,0,0,0,1|2,0,0]=4 1470 B13R1.2879 CC(C#N)Sc1cnc(c(c1)N)O 62a_100000703298_100000743729 [0,1,0,0,0,1|2,0,0]=4 1471 B13R1.2879 CC(C#N)Sc1cnc(c(c1)N)O 62a_100000743729_100000703298 [0,1,0,0,0,1|2,0,0]=4 1472 B13R1.2879 Cc1cc(ccc1Br)NC(C)C#N 2230a_100000210723_100000184139 [0,1,0,0,0,1|2,0,0]=4 1473 B13R1.2879 Cc1cc(ccc1Br)NC(C)C#N 7a_100000210723_100000703298 [0,1,0,0,0,1|2,0,0]=4 1474 B13R1.2879 Cc1cc(ccc1Br)OC(C)C#N 7a_100000690111_100000703298 [0,1,0,0,0,1|2,0,0]=4 1475 B13R1.2879 Cc1cc(ccc1Br)SC(C)C#N 62a_100000703298_100009813585 [0,1,0,0,0,1|2,0,0]=4 1476 B13R1.2879 Cc1cc(ccc1Br)SC(C)C#N 62a_100009813585_100000703298 [0,1,0,0,0,1|2,0,0]=4 1477 B13R1.2879 Cc1cc(ccc1Br)SC(F)C#N 62a_100009813585_200000117898 [0,1,0,0,0,1|2,0,0]=4 1478 B13R1.2879 Cc1cc(ccc1Br)SC(F)C#N 62a_200000117898_100009813585 [0,1,0,0,0,1|2,0,0]=4 1479 B13R1.2879 Cc1cc(ccc1Cl)NC(C)C#N 2230a_100000187808_100000184139 [0,1,0,0,0,1|2,0,0]=4 1480 B13R1.2879 Cc1cc(ccc1Cl)NC(C)C#N 7a_100000187808_100000703298 [0,1,0,0,0,1|2,0,0]=4 1481 B13R1.2879 Cc1cc(ccc1Cl)OC(C)C#N 7a_100000211092_100000703298 [0,1,0,0,0,1|2,0,0]=4 1482 B13R1.2879 Cc1cc(ccc1Cl)SC(C)C#N 62a_100000049509_100000703298 [0,1,0,0,0,1|2,0,0]=4 1483 B13R1.2879 Cc1cc(ccc1Cl)SC(C)C#N 62a_100000703298_100000049509 [0,1,0,0,0,1|2,0,0]=4 1484 B13R1.2879 Cc1cc(ccc1Cl)SC(F)C#N 62a_100000049509_200000117898 [0,1,0,0,0,1|2,0,0]=4 1485 B13R1.2879 Cc1cc(ccc1Cl)SC(F)C#N 62a_200000117898_100000049509 [0,1,0,0,0,1|2,0,0]=4 1486 B13R1.2879 Cc1cc(ccc1F)NC(C)C#N 2230a_100000750164_100000184139 [0,1,0,0,0,1|2,0,0]=4 1487 B13R1.2879 Cc1cc(ccc1F)NC(C)C#N 7a_100000750164_100000703298 [0,1,0,0,0,1|2,0,0]=4 1488 B13R1.2879 Cc1cc(ccc1F)OC(C)C#N 7a_100000751312_100000703298 [0,1,0,0,0,1|2,0,0]=4 1489 B13R1.2879 Cc1cc(ccc1F)SC(C)C#N 62a_100000703298_100011218330 [0,1,0,0,0,1|2,0,0]=4 1490 B13R1.2879 Cc1cc(ccc1F)SC(C)C#N 62a_100011218330_100000703298 [0,1,0,0,0,1|2,0,0]=4 1491 B13R1.2879 Cc1cc(ccc1F)SC(F)C#N 62a_100011218330_200000117898 [0,1,0,0,0,1|2,0,0]=4 1492 B13R1.2879 Cc1cc(ccc1F)SC(F)C#N 62a_200000117898_100011218330 [0,1,0,0,0,1|2,0,0]=4 1493 B13R1.2879 Cc1cc(ccc1I)NC(C)C#N 7a_100000198070_100000703298 [0,1,0,0,0,1|2,0,0]=4 1494 B13R1.2879 Cc1cc(ccc1I)OC(C)C#N 7a_100000729255_100000703298 [0,1,0,0,0,1|2,0,0]=4 1495 B13R1.2879 Cc1cc(ccc1N)OC(C)C#N 7a_100000756630_100000703298 [0,1,0,0,0,1|2,0,0]=4 1496 B13R1.2879 Cc1cc(ccc1N)SC(C)C#N 62a_100000211769_100000703298 [0,1,0,0,0,1|2,0,0]=4 1497 B13R1.2879 Cc1cc(ccc1N)SC(C)C#N 62a_100000703298_100000211769 [0,1,0,0,0,1|2,0,0]=4 1498 B13R1.2879 Cc1cc(ccc1N)SC(F)C#N 62a_100000211769_200000117898 [0,1,0,0,0,1|2,0,0]=4 1499 B13R1.2879 Cc1cc(ccc1N)SC(F)C#N 62a_200000117898_100000211769 [0,1,0,0,0,1|2,0,0]=4 1500 B13R1.2879 Cc1cc(ccc1O)NC(C)C#N 7a_100011218179_100000703298 [0,1,0,0,0,1|1,0,0]=3 1501 B13R1.2879 Cc1cc(ccc1O)SC(C)C#N 62a_100000703298_100000186361 [0,1,0,0,0,1|1,0,0]=3 1502 B13R1.2879 Cc1cc(ccc1O)SC(F)C#N 62a_200000117898_100000186361 [0,1,0,0,0,1|1,0,0]=3 1503 B13R1.2879 Cc1cc(cnc1O)SC(C)C#N 62a_100000685391_100000703298 [0,1,0,0,0,1|2,0,0]=4 1504 B13R1.2879 Cc1cc(cnc1O)SC(C)C#N 62a_100000703298_100000685391 [0,1,0,0,0,1|2,0,0]=4 1505 B13R1.2879 Cc1cc(cnc1O)SC(F)C#N 62a_100000685391_200000117898 [0,1,0,0,0,1|2,0,0]=4 1506 B13R1.2879 Cc1cc(cnc1O)SC(F)C#N 62a_200000117898_100000685391 [0,1,0,0,0,1|2,0,0]=4 1507 B13R1.2879 Cc1cc(ncc1O)SC(C)C#N 62a_100000703298_100000692680 [0,1,0,0,0,1|2,0,0]=4 1508 B13R1.2879 Cc1cc(ncc1O)SC(F)C#N 62a_200000117898_100000692680 [0,1,0,0,0,1|2,0,0]=4 1509 B13R1.2879 Cc1ccc(cc1Br)NC(C)C#N 2230a_100000736455_100000184139 [0,1,0,0,0,1|2,0,0]=4 1510 B13R1.2879 Cc1ccc(cc1Br)NC(C)C#N 7a_100000736455_100000703298 [0,1,0,0,0,1|2,0,0]=4 1511 B13R1.2879 Cc1ccc(cc1Br)OC(C)C#N 7a_100011380479_100000703298 [0,1,0,0,0,1|2,0,0]=4 1512 B13R1.2879 Cc1ccc(cc1Br)SC(C)C#N 62a_100000703298_100011847877 [0,1,0,0,0,1|2,0,0]=4 1513 B13R1.2879 Cc1ccc(cc1Br)SC(C)C#N 62a_100011847877_100000703298 [0,1,0,0,0,1|2,0,0]=4 1514 B13R1.2879 Cc1ccc(cc1Br)SC(F)C#N 62a_100011847877_200000117898 [0,1,0,0,0,1|2,0,0]=4 1515 B13R1.2879 Cc1ccc(cc1Br)SC(F)C#N 62a_200000117898_100011847877 [0,1,0,0,0,1|2,0,0]=4 1516 B13R1.2879 Cc1ccc(cc1C)NC(C)C#N 2230a_100000724040_100000184139 [0,1,0,0,0,1|2,0,0]=4 1517 B13R1.2879 Cc1ccc(cc1C)NC(C)C#N 7a_100000724040_100000703298 [0,1,0,0,0,1|2,0,0]=4 1518 B13R1.2879 Cc1ccc(cc1C)OC(C)C#N 7a_100000210932_100000703298 [0,1,0,0,0,1|2,0,0]=4 1519 B13R1.2879 Cc1ccc(cc1C)SC(C)C#N 62a_100000703298_100011215607 [0,1,0,0,0,1|2,0,0]=4 1520 B13R1.2879 Cc1ccc(cc1C)SC(C)C#N 62a_100011215607_100000703298 [0,1,0,0,0,1|2,0,0]=4 1521 B13R1.2879 Cc1ccc(cc1C)SC(F)C#N 62a_100011215607_200000117898 [0,1,0,0,0,1|2,0,0]=4 1522 B13R1.2879 Cc1ccc(cc1C)SC(F)C#N 62a_200000117898_100011215607 [0,1,0,0,0,1|2,0,0]=4 1523 B13R1.2879 Cc1ccc(cc1Cl)NC(C)C#N 2230a_100000188892_100000184139 [0,1,0,0,0,1|2,0,0]=4 1524 B13R1.2879 Cc1ccc(cc1Cl)NC(C)C#N 7a_100000188892_100000703298 [0,1,0,0,0,1|2,0,0]=4 1525 B13R1.2879 Cc1ccc(cc1Cl)OC(C)C#N 7a_100011265682_100000703298 [0,1,0,0,0,1|2,0,0]=4 1526 B13R1.2879 Cc1ccc(cc1Cl)SC(C)C#N 62a_100000703298_100011216363 [0,1,0,0,0,1|2,0,0]=4 1527 B13R1.2879 Cc1ccc(cc1Cl)SC(C)C#N 62a_100011216363_100000703298 [0,1,0,0,0,1|2,0,0]=4 1528 B13R1.2879 Cc1ccc(cc1Cl)SC(F)C#N 62a_100011216363_200000117898 [0,1,0,0,0,1|2,0,0]=4 1529 B13R1.2879 Cc1ccc(cc1Cl)SC(F)C#N 62a_200000117898_100011216363 [0,1,0,0,0,1|2,0,0]=4 1530 B13R1.2879 Cc1ccc(cc1F)NC(C)C#N 2230a_100000210958_100000184139 [0,1,0,0,0,1|2,0,0]=4 1531 B13R1.2879 Cc1ccc(cc1F)NC(C)C#N 7a_100000210958_100000703298 [0,1,0,0,0,1|2,0,0]=4 1532 B13R1.2879 Cc1ccc(cc1F)OC(C)C#N 7a_100000722560_100000703298 [0,1,0,0,0,1|2,0,0]=4 1533 B13R1.2879 Cc1ccc(cc1F)SC(C)C#N 62a_100000703298_100000720648 [0,1,0,0,0,1|2,0,0]=4 1534 B13R1.2879 Cc1ccc(cc1F)SC(C)C#N 62a_100000720648_100000703298 [0,1,0,0,0,1|2,0,0]=4 1535 B13R1.2879 Cc1ccc(cc1F)SC(F)C#N 62a_100000720648_200000117898 [0,1,0,0,0,1|2,0,0]=4 1536 B13R1.2879 Cc1ccc(cc1F)SC(F)C#N 62a_200000117898_100000720648 [0,1,0,0,0,1|2,0,0]=4 1537 B13R1.2879 Cc1ccc(cc1I)NC(C)C#N 7a_100000184131_100000703298 [0,1,0,0,0,1|2,0,0]=4 1538 B13R1.2879 Cc1ccc(cc1N)OC(C)C#N 7a_100011216113_100000703298 [0,1,0,0,0,1|2,0,0]=4 1539 B13R1.2879 Cc1ccc(cc1N)SC(C)C#N 62a_100000703298_100000761890 [0,1,0,0,0,1|2,0,0]=4 1540 B13R1.2879 Cc1ccc(cc1N)SC(C)C#N 62a_100000761890_100000703298 [0,1,0,0,0,1|2,0,0]=4 1541 B13R1.2879 Cc1ccc(cc1N)SC(F)C#N 62a_100000761890_200000117898 [0,1,0,0,0,1|2,0,0]=4 1542 B13R1.2879 Cc1ccc(cc1N)SC(F)C#N 62a_200000117898_100000761890 [0,1,0,0,0,1|2,0,0]=4 1543 B13R1.2879 Cc1ccc(cc1O)NC(C)C#N 7a_100000759471_100000703298 [0,1,0,0,0,1|2,0,0]=4 1544 B13R1.2879 Cc1ccc(cc1O)SC(C)C#N 62a_100000685420_100000703298 [0,1,0,0,0,1|2,0,0]=4 1545 B13R1.2879 Cc1ccc(cc1O)SC(C)C#N 62a_100000703298_100000685420 [0,1,0,0,0,1|2,0,0]=4 1546 B13R1.2879 Cc1ccc(cc1O)SC(F)C#N 62a_100000685420_200000117898 [0,1,0,0,0,1|2,0,0]=4 1547 B13R1.2879 Cc1ccc(cc1O)SC(F)C#N 62a_200000117898_100000685420 [0,1,0,0,0,1|2,0,0]=4 1548 B13R1.2879 Cc1nc(ccc1O)SC(C)C#N 62a_100000703298_100010233687 [0,1,0,0,0,1|2,0,0]=4 1549 B13R1.2879 Cc1nc(ccc1O)SC(C)C#N 62a_100010233687_100000703298 [0,1,0,0,0,1|2,0,0]=4 1550 B13R1.2879 Cc1nc(ccc1O)SC(F)C#N 62a_100010233687_200000117898 [0,1,0,0,0,1|2,0,0]=4 1551 B13R1.2879 Cc1nc(ccc1O)SC(F)C#N 62a_200000117898_100010233687 [0,1,0,0,0,1|2,0,0]=4 1552 B13R1.2879 N#CC(=Cc1ccc(c(c1)Cl)O)F 6a_100000186751_200000032654 [0,1,0,0,0,1|1,0,1]=4 1553 B13R1.2879 N#CC(=Cc1ccc(c(c1)F)O)F 6a_100000742332_200000032654 [0,1,0,0,0,1|1,0,1]=4 1554 B13R1.2879 N#CC(=Cc1ccc(c(c1)I)O)F 6a_100000186752_200000032654 [0,1,0,0,0,1|1,0,1]=4 1555 B13R1.2879 N#CC(F)Sc1cc(c(cn1)O)N 62a_100009819941_200000117898 [0,1,0,0,0,1|2,0,0]=4 1556 B13R1.2879 N#CC(F)Sc1cc(c(cn1)O)N 62a_200000117898_100009819941 [0,1,0,0,0,1|2,0,0]=4 1557 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Br)Br 62a_100012356285_200000117898 [0,1,0,0,0,1|2,0,0]=4 1558 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Br)Br 62a_200000117898_100012356285 [0,1,0,0,0,1|2,0,0]=4 1559 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Br)Cl 62a_100012353702_200000117898 [0,1,0,0,0,1|2,0,0]=4 1560 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Br)Cl 62a_200000117898_100012353702 [0,1,0,0,0,1|2,0,0]=4 1561 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Br)F 62a_100012047266_200000117898 [0,1,0,0,0,1|2,0,0]=4 1562 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Br)F 62a_200000117898_100012047266 [0,1,0,0,0,1|2,0,0]=4 1563 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Br)N 62a_100000750455_200000117898 [0,1,0,0,0,1|2,0,0]=4 1564 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Br)N 62a_200000117898_100000750455 [0,1,0,0,0,1|2,0,0]=4 1565 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Br)O 62a_100012361655_200000117898 [0,1,0,0,0,1|1,0,0]=3 1566 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Br)O 62a_200000117898_100012361655 [0,1,0,0,0,1|1,0,0]=3 1567 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Cl)Br 62a_100012047281_200000117898 [0,1,0,0,0,1|2,0,0]=4 1568 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Cl)Br 62a_200000117898_100012047281 [0,1,0,0,0,1|2,0,0]=4 1569 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Cl)Cl 62a_100011214914_200000117898 [0,1,0,0,0,1|2,0,0]=4 1570 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Cl)Cl 62a_200000117898_100011214914 [0,1,0,0,0,1|2,0,0]=4 1571 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Cl)F 62a_100011215976_200000117898 [0,1,0,0,0,1|2,0,0]=4 1572 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Cl)F 62a_200000117898_100011215976 [0,1,0,0,0,1|2,0,0]=4 1573 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Cl)N 62a_100011218065_200000117898 [0,1,0,0,0,1|2,0,0]=4 1574 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Cl)N 62a_200000117898_100011218065 [0,1,0,0,0,1|2,0,0]=4 1575 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Cl)O 62a_100012360047_200000117898 [0,1,0,0,0,1|1,0,0]=3 1576 B13R1.2879 N#CC(F)Sc1ccc(c(c1)Cl)O 62a_200000117898_100012360047 [0,1,0,0,0,1|1,0,0]=3 1577 B13R1.2879 N#CC(F)Sc1ccc(c(c1)F)Br 62a_100000685389_200000117898 [0,1,0,0,0,1|2,0,0]=4 1578 B13R1.2879 N#CC(F)Sc1ccc(c(c1)F)Br 62a_200000117898_100000685389 [0,1,0,0,0,1|2,0,0]=4 1579 B13R1.2879 N#CC(F)Sc1ccc(c(c1)F)Cl 62a_100011216805_200000117898 [0,1,0,0,0,1|2,0,0]=4 1580 B13R1.2879 N#CC(F)Sc1ccc(c(c1)F)Cl 62a_200000117898_100011216805 [0,1,0,0,0,1|2,0,0]=4 1581 B13R1.2879 N#CC(F)Sc1ccc(c(c1)F)F 62a_100000703953_200000117898 [0,1,0,0,0,1|2,0,0]=4 1582 B13R1.2879 N#CC(F)Sc1ccc(c(c1)F)F 62a_200000117898_100000703953 [0,1,0,0,0,1|2,0,0]=4 1583 B13R1.2879 N#CC(F)Sc1ccc(c(c1)F)N 62a_100011215594_200000117898 [0,1,0,0,0,1|2,0,0]=4 1584 B13R1.2879 N#CC(F)Sc1ccc(c(c1)F)N 62a_200000117898_100011215594 [0,1,0,0,0,1|2,0,0]=4 1585 B13R1.2879 N#CC(F)Sc1ccc(c(c1)F)O 62a_100000185481_200000117898 [0,1,0,0,0,1|1,0,0]=3 1586 B13R1.2879 N#CC(F)Sc1ccc(c(c1)F)O 62a_200000117898_100000185481 [0,1,0,0,0,1|1,0,0]=3 1587 B13R1.2879 N#CC(F)Sc1ccc(c(c1)N)Br 62a_100000750456_200000117898 [0,1,0,0,0,1|2,0,0]=4 1588 B13R1.2879 N#CC(F)Sc1ccc(c(c1)N)Br 62a_200000117898_100000750456 [0,1,0,0,0,1|2,0,0]=4 1589 B13R1.2879 N#CC(F)Sc1ccc(c(c1)N)Cl 62a_200000117898_200000761891 [0,1,0,0,0,1|2,0,0]=4 1590 B13R1.2879 N#CC(F)Sc1ccc(c(c1)N)Cl 62a_200000761891_200000117898 [0,1,0,0,0,1|2,0,0]=4 1591 B13R1.2879 N#CC(F)Sc1ccc(c(c1)N)F 62a_100000740924_200000117898 [0,1,0,0,0,1|2,0,0]=4 1592 B13R1.2879 N#CC(F)Sc1ccc(c(c1)N)F 62a_200000117898_100000740924 [0,1,0,0,0,1|2,0,0]=4 1593 B13R1.2879 N#CC(F)Sc1ccc(c(c1)N)N 62a_100000741789_200000117898 [0,1,0,0,0,1|2,0,0]=4 1594 B13R1.2879 N#CC(F)Sc1ccc(c(c1)N)N 62a_200000117898_100011534411 [0,1,0,0,0,1|2,0,0]=4 1595 B13R1.2879 N#CC(F)Sc1ccc(c(c1)N)O 62a_100000752626_200000117898 [0,1,0,0,0,1|1,0,0]=3 1596 B13R1.2879 N#CC(F)Sc1ccc(c(c1)N)O 62a_200000117898_100000752626 [0,1,0,0,0,1|1,0,0]=3 1597 B13R1.2879 N#CC(F)Sc1ccc(c(c1)O)Br 62a_100012356990_200000117898 [0,1,0,0,0,1|2,0,0]=4 1598 B13R1.2879 N#CC(F)Sc1ccc(c(c1)O)Br 62a_200000117898_100012356990 [0,1,0,0,0,1|2,0,0]=4 1599 B13R1.2879 N#CC(F)Sc1ccc(c(c1)O)Cl 62a_100011356854_200000117898 [0,1,0,0,0,1|2,0,0]=4 1600 B13R1.2879 N#CC(F)Sc1ccc(c(c1)O)Cl 62a_200000117898_100011356854 [0,1,0,0,0,1|2,0,0]=4 1601 B13R1.2879 N#CC(F)Sc1ccc(c(c1)O)F 62a_100000686035_200000117898 [0,1,0,0,0,1|2,0,0]=4 1602 B13R1.2879 N#CC(F)Sc1ccc(c(c1)O)F 62a_200000117898_100000686035 [0,1,0,0,0,1|2,0,0]=4 1603 B13R1.2879 N#CC(F)Sc1ccc(c(c1)O)N 62a_100000739049_200000117898 [0,1,0,0,0,1|2,0,0]=4 1604 B13R1.2879 N#CC(F)Sc1ccc(c(c1)O)N 62a_200000117898_100000739049 [0,1,0,0,0,1|2,0,0]=4 1605 B13R1.2879 N#CC(F)Sc1ccc(c(c1)O)O 62a_200000117898_100009813601 [0,1,0,0,0,1|1,0,0]=3 1606 B13R1.2879 N#CC(F)Sc1ccc(c(n1)Br)O 62a_100000725334_200000117898 [0,1,0,0,0,1|2,0,0]=4 1607 B13R1.2879 N#CC(F)Sc1ccc(c(n1)Br)O 62a_200000117898_100000725334 [0,1,0,0,0,1|2,0,0]=4 1608 B13R1.2879 N#CC(F)Sc1ccc(c(n1)Cl)O 62a_200000117898_100000721234 [0,1,0,0,0,1|2,0,0]=4 1609 B13R1.2879 N#CC(F)Sc1ccc(c(n1)F)O 62a_100009819667_200000117898 [0,1,0,0,0,1|2,0,0]=4 1610 B13R1.2879 N#CC(F)Sc1ccc(c(n1)F)O 62a_200000117898_100009819667 [0,1,0,0,0,1|2,0,0]=4 1611 B13R1.2879 N#CC(F)Sc1ccc(c(n1)N)O 62a_100000685527_200000117898 [0,1,0,0,0,1|2,0,0]=4 1612 B13R1.2879 N#CC(F)Sc1ccc(c(n1)N)O 62a_200000117898_100000685527 [0,1,0,0,0,1|2,0,0]=4 1613 B13R1.2879 N#CC(F)Sc1cnc(c(c1)Cl)O 62a_100010238531_200000117898 [0,1,0,0,0,1|2,0,0]=4 1614 B13R1.2879 N#CC(F)Sc1cnc(c(c1)Cl)O 62a_200000117898_100010238531 [0,1,0,0,0,1|2,0,0]=4 1615 B13R1.2879 N#CC(F)Sc1cnc(c(c1)N)O 62a_100000743729_200000117898 [0,1,0,0,0,1|2,0,0]=4 1616 B13R1.2879 N#CC(F)Sc1cnc(c(c1)N)O 62a_200000117898_100000743729 [0,1,0,0,0,1|2,0,0]=4 1617 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,2,0,0,0,0|1,0,1]=4 1618 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,2,0,0,0,0|1,0,1]=4 1619 B13R1.39 CCC(OC)c1ccc(cc1)OC 34a_100000246523_200000210301 [0,2,0,0,0,0|1,0,1]=4 1620 B13R1.39 CCC(OC)c1ccc(cc1)OC 7a_100000246523_200000210301 [0,2,0,0,0,0|1,0,1]=4 1621 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 34a_100000246523_200025704644 [0,2,0,0,0,0|1,0,1]=4 1622 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 7a_100000246523_200025704644 [0,2,0,0,0,0|1,0,1]=4 1623 B13R1.39 CNC(CO)c1ccc(cc1)OC 2230a_100000751956_200000210301 [0,2,0,0,0,0|2,0,0]=4 1624 B13R1.39 CNC(CO)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|2,0,0]=4 1625 B13R1.39 COc1ccc(cc1)C(C#N)OC 34a_100011218237_200000210301 [0,2,0,0,0,0|0,0,0]=2 1626 B13R1.39 COc1ccc(cc1)C(C#N)OC 7a_100011218237_200000210301 [0,2,0,0,0,0|0,0,0]=2 1627 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 34a_100011218237_200025704644 [0,2,0,0,0,0|0,0,0]=2 1628 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 7a_100011218237_200025704644 [0,2,0,0,0,0|0,0,0]=2 1629 B13R1.39 COc1ccc(cc1)C(CN)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|0,0,2]=4 1630 B13R1.39 COc1ccc(cc1)C(CN)O[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|0,0,2]=4 1631 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 2230a_100000751956_200025704644 [0,2,0,0,0,0|2,0,0]=4 1632 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|2,0,0]=4 1633 B13R1.139 C=C=Cc1ccc(cc1)C(C)C#N 271570a_100015277604_100000695319 [0,2,0,0,0,0|2,0,0]=4 1634 B13R1.139 C=C=Cc1ccc(cc1)C(N)C#N 271570a_100015277604_106722365845 [0,2,0,0,0,0|2,0,0]=4 1635 B13R1.139 CC(C#N)c1ccc(cc1)NCF 34a_100000069498_100015361967 [0,2,0,0,0,0|2,0,0]=4 1636 B13R1.139 CC(C#N)c1ccc(cc1)NCF 7a_100000069498_100015361967 [0,2,0,0,0,0|2,0,0]=4 1637 B13R1.139 CC(C#N)c1ccc(cc1)SCF 62a_100000695319_100015361967 [0,2,0,0,0,0|1,1,0]=4 1638 B13R1.139 CC(C#N)c1ccc(cc1)SCF 62a_100015361967_100000695319 [0,2,0,0,0,0|1,1,0]=4 1639 B13R1.139 CC=Cc1ccc(cc1)C(C)C#N 271570a_100016259895_100000695319 [0,2,0,0,0,0|2,0,0]=4 1640 B13R1.139 CC=Cc1ccc(cc1)C(N)C#N 271570a_100016259895_106722365845 [0,2,0,0,0,0|2,0,0]=4 1641 B13R1.139 CCNc1ccc(cc1)C(C)C#N 34a_100000069498_100000210202 [0,2,0,0,0,0|2,0,0]=4 1642 B13R1.139 CCNc1ccc(cc1)C(C)C#N 7a_100000069498_100000210202 [0,2,0,0,0,0|2,0,0]=4 1643 B13R1.139 CCOc1ccc(cc1)C(O)CN 34a_100000067596_100000210202 [0,2,0,0,0,0|0,0,2]=4 1644 B13R1.139 CCSc1ccc(cc1)C(C)C#N 62a_100000210202_100000695319 [0,2,0,0,0,0|1,1,0]=4 1645 B13R1.139 CCSc1ccc(cc1)C(C)C#N 62a_100000695319_100000210202 [0,2,0,0,0,0|1,1,0]=4 1646 B13R1.139 CCSc1ccc(cc1)C(N)C#N 62a_100000210202_106722365845 [0,2,0,0,0,0|1,1,0]=4 1647 B13R1.139 CCSc1ccc(cc1)C(N)C#N 62a_106722365845_100000210202 [0,2,0,0,0,0|1,1,0]=4 1648 B13R1.139 N#CC(N)c1ccc(cc1)SCF 62a_100015361967_106722365845 [0,2,0,0,0,0|1,1,0]=4 1649 B13R1.139 N#CC(N)c1ccc(cc1)SCF 62a_106722365845_100015361967 [0,2,0,0,0,0|1,1,0]=4 1650 B13R1.139 NCC(O)c1ccc(cc1)OCF 34a_100000067596_100015361967 [0,2,0,0,0,0|0,0,2]=4 1651 B13R1.187 C=Cc1ccc(cc1)C(C)(C)C#N 271570a_100011290941_100000740055 [0,2,0,0,0,0|2,0,0]=4 1652 B13R1.187 CC(C)(C#N)c1ccc(cc1)N[13CH3] 34a_100000758047_200025704644 [0,2,0,0,0,0|2,0,0]=4 1653 B13R1.187 CC(C)(C#N)c1ccc(cc1)N[13CH3] 7a_100000758047_200025704644 [0,2,0,0,0,0|2,0,0]=4 1654 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 34a_200000101937_200025704644 [0,2,0,0,0,0|1,0,0]=3 1655 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 7a_200000101937_200025704644 [0,2,0,0,0,0|1,0,0]=3 1656 B13R1.187 CC(C)(C#N)c1ccc(cc1)S[13CH3] 62a_100000740055_200025704644 [0,2,0,0,0,0|1,1,0]=4 1657 B13R1.187 CC(C)(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000740055 [0,2,0,0,0,0|1,1,0]=4 1658 B13R1.187 CNc1ccc(cc1)C(C)(C)C#N 34a_100000758047_200000210301 [0,2,0,0,0,0|2,0,0]=4 1659 B13R1.187 CNc1ccc(cc1)C(C)(C)C#N 7a_100000758047_200000210301 [0,2,0,0,0,0|2,0,0]=4 1660 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 34a_200000101937_200000210301 [0,2,0,0,0,0|1,0,0]=3 1661 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 7a_200000101937_200000210301 [0,2,0,0,0,0|1,0,0]=3 1662 B13R1.187 CSc1ccc(cc1)C(C)(C)C#N 62a_100000740055_200000210301 [0,2,0,0,0,0|1,1,0]=4 1663 B13R1.187 CSc1ccc(cc1)C(C)(C)C#N 62a_200000210301_100000740055 [0,2,0,0,0,0|1,1,0]=4 1664 B13R1.452 CNCC(O)c1ccc(cc1)OC 2230a_100000738651_200000210301 [0,2,0,0,0,0|0,0,2]=4 1665 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|0,0,2]=4 1666 B13R1.452 CNCC(O)c1ccc(cc1)OC 34a_100016988945_200000210301 [0,2,0,0,0,0|0,0,2]=4 1667 B13R1.452 CNCC(O)c1ccc(cc1)O[13CH3] 34a_100016988945_200025704644 [0,2,0,0,0,0|0,0,2]=4 1668 B13R1.452 COc1ccc(cc1)C(=O)CC#N 1458a_100000184203_100011214920 [0,2,0,0,0,0|0,0,2]=4 1669 B13R1.452 COc1ccc(cc1)C(=O)CC#N 7a_100009871544_200000210301 [0,2,0,0,0,0|0,0,2]=4 1670 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 2230a_100000738651_200025704644 [0,2,0,0,0,0|0,0,2]=4 1671 B13R1.452 COc1ccc(cc1)C(O)CN[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|0,0,2]=4 1672 B13R1.452 COc1ccc(cc1)N(C)CC#N 2230a_100000220023_100011215382 [0,2,0,0,0,0|2,0,0]=4 1673 B13R1.452 COc1ccc(cc1)N(C)CC#N 269982a_100000220023_100011214920 [0,2,0,0,0,0|2,0,0]=4 1674 B13R1.452 N#CCC(=O)c1ccc(cc1)CO 1458a_100000183892_100011214920 [0,2,0,0,0,0|0,0,2]=4 1675 B13R1.452 [13CH3]Oc1ccc(cc1)C(=O)CC#N 7a_100009871544_200025704644 [0,2,0,0,0,0|0,0,2]=4 1676 B13R1.537 C=C(C)c1ccc(cc1)C(C)C#N 271570a_100000694244_100000695319 [0,2,0,0,0,0|2,0,0]=4 1677 B13R1.537 C=C(C)c1ccc(cc1)C(N)C#N 271570a_100000694244_106722365845 [0,2,0,0,0,0|2,0,0]=4 1678 B13R1.29 N#CCS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000183622 [0,2,0,0,0,0|1,0,1]=4 1679 B13R1.272 CC(C)(C#N)c1ccc(c(c1)F)O 271570a_203496583355_100010120480 [0,2,0,0,0,0|1,0,0]=3 1680 B13R1.1 C#CC(OCC)c1ccc(cc1)Cl 34a_100011470666_100000210202 [0,2,0,0,0,0|2,0,0]=4 1681 B13R1.1 C#CC(OCC)c1ccc(cc1)Cl 7a_100011470666_100000210202 [0,2,0,0,0,0|2,0,0]=4 1682 B13R1.1 C#CC(OCF)c1ccc(cc1)Cl 34a_100011470666_100015361967 [0,2,0,0,0,0|2,0,0]=4 1683 B13R1.1 C#CC(OCF)c1ccc(cc1)Cl 7a_100011470666_100015361967 [0,2,0,0,0,0|2,0,0]=4 1684 B13R1.1 CCN(CC#N)c1ccc(cc1)O 2230a_100011337800_100011215382 [0,2,0,0,0,0|2,0,0]=4 1685 B13R1.1 CCN(CC#N)c1ccc(cc1)O 269982a_100011337800_100011214920 [0,2,0,0,0,0|2,0,0]=4 1686 B13R1.1 CCNC(C#N)c1ccc(cc1)Cl 2230a_100000747793_100000210202 [0,2,0,0,0,0|2,0,0]=4 1687 B13R1.1 CCNC(C#N)c1ccc(cc1)F 2230a_100020612109_100000210202 [0,2,0,0,0,0|2,0,0]=4 1688 B13R1.1 CCNC(C#N)c1ccc(cc1)F 34a_100020612109_100000210202 [0,2,0,0,0,0|2,0,0]=4 1689 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_100000210202 [0,2,0,0,0,0|1,0,0]=3 1690 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_100000210202 [0,2,0,0,0,0|1,0,0]=3 1691 B13R1.1 Cc1ccc(cc1)[C@H](C#N)OCF 34a_200009814964_100015361967 [0,2,0,0,0,0|1,0,0]=3 1692 B13R1.1 Cc1ccc(cc1)[C@H](C#N)OCF 7a_200009814964_100015361967 [0,2,0,0,0,0|1,0,0]=3 1693 B13R1.1 N#CC(NCF)c1ccc(cc1)F 34a_100020612109_100015361967 [0,2,0,0,0,0|2,0,0]=4 1694 B13R1.331 CNC(C#N)c1ccc(c(c1)Cl)Cl 2230a_100000750753_200000210301 [0,2,0,0,0,0|2,0,0]=4 1695 B13R1.331 [13CH3]NC(C#N)c1ccc(c(c1)Cl)Cl 2230a_100000750753_200025704644 [0,2,0,0,0,0|2,0,0]=4 1696 B13R1.706 CC(C)C(C#N)c1ccc(cc1)O 271570a_203496583355_100000698803 [0,2,0,0,0,0|1,0,0]=3 1697 B13R1.961 COC(OC)c1ccc(cc1F)O 271570a_203496583355_100010185892 [0,2,0,0,0,0|2,0,0]=4 1698 B13R1.17 C#CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000038162 [0,2,0,0,0,0|2,0,0]=4 1699 B13R1.17 C=CCCC(O)c1ccc(cc1)O 271570a_203496583355_200012050447 [0,2,0,0,0,0|1,0,1]=4 1700 B13R1.17 CC(OCC#N)c1ccc(cc1)Br 7a_100000745893_100011215382 [0,2,0,0,0,0|2,0,0]=4 1701 B13R1.17 CC(OCC#N)c1ccc(cc1)F 7a_100000181323_100011215382 [0,2,0,0,0,0|2,0,0]=4 1702 B13R1.17 CC(SCC#N)c1ccc(cc1)Br 62a_100000755118_100011215382 [0,2,0,0,0,0|2,0,0]=4 1703 B13R1.17 CC(SCC#N)c1ccc(cc1)Br 62a_100011215382_100000755118 [0,2,0,0,0,0|2,0,0]=4 1704 B13R1.17 CC(SCC#N)c1ccc(cc1)Cl 62a_100000684792_100011215382 [0,2,0,0,0,0|2,0,0]=4 1705 B13R1.17 CC(SCC#N)c1ccc(cc1)Cl 62a_100011215382_100000684792 [0,2,0,0,0,0|2,0,0]=4 1706 B13R1.17 CC(SCC#N)c1ccc(cc1)F 62a_100000743420_100011215382 [0,2,0,0,0,0|2,0,0]=4 1707 B13R1.17 CC(SCC#N)c1ccc(cc1)F 62a_100011215382_100000743420 [0,2,0,0,0,0|2,0,0]=4 1708 B13R1.17 CCNCC(O)c1ccc(cc1)O 34a_100000067596_100000210202 [0,2,0,0,0,0|0,0,2]=4 1709 B13R1.17 CN(CCC#N)c1ccc(cc1)O 269982a_100000182112_100011215226 [0,2,0,0,0,0|2,0,0]=4 1710 B13R1.17 CN(CSC#N)c1ccc(cc1)O 269982a_100000182112_100000211825 [0,2,0,0,0,0|2,0,0]=4 1711 B13R1.17 C[C@@H](NCC#N)c1ccc(cc1)Br 2230a_100000720352_100011215382 [0,2,0,0,0,0|2,0,0]=4 1712 B13R1.17 C[C@@H](NCC#N)c1ccc(cc1)Cl 2230a_100015205461_100011215382 [0,2,0,0,0,0|2,0,0]=4 1713 B13R1.17 C[C@H](NCC#N)c1ccc(cc1)F 2230a_100025705893_100011215382 [0,2,0,0,0,0|2,0,0]=4 1714 B13R1.17 C[C@H](NCC#N)c1ccc(cc1)I 2230a_100000753911_100011215382 [0,2,0,0,0,0|2,0,0]=4 1715 B13R1.17 C[C@H](NCC#N)c1ccc(cc1)O 2230a_100161106496_100011215382 [0,2,0,0,0,0|1,0,0]=3 1716 B13R1.17 C[C@H](OCC#N)c1ccc(cc1)Cl 7a_100011852131_100011215382 [0,2,0,0,0,0|2,0,0]=4 1717 B13R1.17 Cc1ccc(cc1)C(C)SCC#N 62a_100011215382_100011261388 [0,2,0,0,0,0|2,0,0]=4 1718 B13R1.17 Cc1ccc(cc1)C(C)SCC#N 62a_100011261388_100011215382 [0,2,0,0,0,0|2,0,0]=4 1719 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCC#N 2230a_100016988085_100011215382 [0,2,0,0,0,0|2,0,0]=4 1720 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC#N 7a_100000690690_100011215382 [0,2,0,0,0,0|2,0,0]=4 1721 B13R1.17 N#CCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215226 [0,2,0,0,0,0|0,0,2]=4 1722 B13R1.17 N#CCCC(=O)c1ccc(cc1)O 271570a_203496583355_100000689336 [0,2,0,0,0,0|0,0,2]=4 1723 B13R1.17 N#CCNC(=O)c1ccc(cc1)O 271570a_203496583355_100000752546 [0,2,0,0,0,0|0,0,2]=4 1724 B13R1.17 N#CCNC(=O)c1ccc(cc1)O 527a_100000734998_100000212099 [0,2,0,0,0,0|0,0,2]=4 1725 B13R1.17 Oc1ccc(cc1)C(O)CNCF 34a_100000067596_100015361967 [0,2,0,0,0,0|0,0,2]=4 1726 B13R1.17 [2H]C(OCC#N)c1ccc(cc1)F 7a_217856618577_100011215382 [0,2,0,0,0,0|2,0,0]=4 1727 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 2230a_100016988945_200000210301 [0,2,0,0,0,0|0,0,2]=4 1728 B13R1.132 CN(C)CC(O)c1ccc(cc1)O 269982a_100016988945_200000210301 [0,2,0,0,0,0|0,0,2]=4 1729 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 2230a_100016988945_200025704644 [0,2,0,0,0,0|0,0,2]=4 1730 B13R1.132 CN([13CH3])CC(O)c1ccc(cc1)O 269982a_100016988945_200025704644 [0,2,0,0,0,0|0,0,2]=4 1731 B13R1.466 CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200000210301 [0,2,0,0,0,0|0,0,2]=4 1732 B13R1.466 Cc1cc(ccc1O)C(=O)CC#N 1458a_100000685612_100011214920 [0,2,0,0,0,0|0,0,2]=4 1733 B13R1.466 N#CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100011214920 [0,2,0,0,0,0|0,0,2]=4 1734 B13R1.466 N#CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100011214920 [0,2,0,0,0,0|0,0,2]=4 1735 B13R1.466 N#CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100011214920 [0,2,0,0,0,0|0,0,2]=4 1736 B13R1.466 N#CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100011214920 [0,2,0,0,0,0|0,0,2]=4 1737 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011214920 [0,2,0,0,0,0|0,0,2]=4 1738 B13R1.466 [13CH3]NCC(O)c1ccc(c(c1)O)O 34a_100000106456_200025704644 [0,2,0,0,0,0|0,0,2]=4 1739 B13R1.1511 Cc1cc(ccc1C(=O)CC#N)O 1458a_100000692822_100011214920 [0,2,0,0,0,0|0,0,2]=4 1740 B13R1.1511 Cc1cc(ccc1N(C)CC#N)O 269982a_100161107805_100011214920 [0,2,0,0,0,0|2,0,0]=4 1741 B13R1.1511 N#CCC(=O)c1ccc(cc1Br)O 1458a_100012344906_100011214920 [0,2,0,0,0,0|0,0,2]=4 1742 B13R1.1511 N#CCC(=O)c1ccc(cc1Cl)O 1458a_100000702456_100011214920 [0,2,0,0,0,0|0,0,2]=4 1743 B13R1.1511 N#CCC(=O)c1ccc(cc1F)O 1458a_100000689029_100011214920 [0,2,0,0,0,0|0,0,2]=4 1744 B13R1.1511 N#CCC(=O)c1ccc(cc1O)O 1458a_100000212172_100011214920 [0,2,0,0,0,0|0,0,2]=4 1745 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,2,0,0,0,0|1,0,1]=4 1746 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,2,0,0,0,0|1,0,1]=4 1747 B13R1.525 Oc1ccc(cc1)[C@H](O)C(F)(F)F 271570a_203496583355_100010192173 [0,2,0,0,0,0|1,0,1]=4 1748 B11R1.37 C=Cc1ccc(cc1C#N)O 271570a_100011290941_100009818209 [0,0,1,1,0,0|1,0,1]=4 1749 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [1,0,0,1,0,0|1,0,1]=4 1750 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [1,0,0,1,0,0|1,0,1]=4 1751 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,1,0,0|1,0,1]=4 1752 B11R2.36 Oc1ccc2c(c1)CCC2 271570a_203496583355_100000745594 [1,0,0,1,0,0|1,0,1]=4 1753 B11R2.36 Oc1ccc2c(c1)CNC2 271570a_203496583355_100000702344 [1,0,0,1,0,0|2,0,0]=4 1754 B11R2.36 Oc1ccc2c(c1)COC2 271570a_203496583355_100000698232 [1,0,0,1,0,0|2,0,0]=4 1755 B11R2.36 Oc1ccc2c(c1)NCC2 271570a_203496583355_100000754641 [1,0,0,1,0,0|0,0,2]=4 1756 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,1,0,0|1,0,1]=4 1757 B13R2.43 N#Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100010261159 [0,0,0,1,0,1|1,0,1]=4 1758 B13R2.43 N#Cc1cc2cc(ccc2s1)O 271570a_203496583355_200010238524 [0,0,0,1,0,1|1,0,1]=4 1759 B13R2.43 N#Cc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100010739539 [0,0,0,1,0,1|1,0,1]=4 1760 B13R2.102 N#CC1(CC1)c2ccc(cc2)O 271570a_203496583355_100011246087 [0,1,0,1,0,0|1,0,0]=3 1761 B13R2.102 N#CC1(CC1)c2ccc(cn2)O 271570a_203496583355_100012353962 [0,1,0,1,0,0|2,0,0]=4 1762 B13R2.102 N#CC1(CC1)c2ccc(nc2)O 271570a_203496583355_100009851347 [0,1,0,1,0,0|2,0,0]=4 1763 B13R2.102 OCC1(CC1)c2ccc(cc2)O 271570a_203496583355_100010178529 [0,1,0,1,0,0|1,0,1]=4 1764 B13R2.2986 Oc1ccc(cc1)C2(CCC2)O 271570a_203496583355_100010132843 [0,1,0,1,0,0|1,0,1]=4 1765 B13R2.2986 Oc1ccc(cc1)C2(COC2)O 271570a_203496583355_100010074357 [0,1,0,1,0,0|1,0,1]=4 1766 B13R2.12 Oc1ccc(cc1)C2OCCO2 271570a_203496583355_100009813560 [0,1,0,1,0,0|1,0,1]=4 1767 B13R2.662 N#CC1CCc2c1ccc(c2)O 271570a_203496583355_200012360267 [0,1,0,1,0,0|1,0,0]=3 1768 B13R2.662 N#Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100012359395 [0,1,0,1,0,0|1,0,1]=4 1769 B13R2.662 N#Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100010171363 [0,1,0,1,0,0|1,0,1]=4 1770 B13R2.520 Oc1ccc(cc1)C(O)C2CC2 271570a_203496583355_100000756592 [0,1,0,1,0,0|1,0,1]=4 1771 B13R2.5179 Oc1ccc2c(c1)OCCC2O 271570a_203496583355_100012676011 [0,1,0,1,0,0|1,0,1]=4 1772 B9R1.7 N#CCc1cc(cs1)O 271570a_203496583355_100000725765 [1,0,0,0,1,0|1,0,0]=3 1773 B9R1.7 N#CCc1ccc(s1)O 271570a_203496583355_100000740997 [1,0,0,0,1,0|1,0,0]=3 1774 B9R1.7 N#CCn1cc(cn1)O 271570a_203496583355_100000760245 [1,0,0,0,1,0|2,0,0]=4 1775 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [1,0,0,0,0,1|2,0,0]=4 1776 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [1,0,0,0,0,1|2,0,0]=4 1777 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [1,0,0,0,0,1|2,0,0]=4 1778 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [1,0,0,0,0,1|1,0,0]=3 1779 B11R1.40 CC(C#N)Oc1cccnc1 7a_100000210849_100000703298 [1,0,0,0,0,1|2,0,0]=4 1780 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [1,0,0,0,0,1|1,0,0]=3 1781 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [1,0,0,0,0,1|1,0,0]=3 1782 B11R1.40 CC(C#N)Sc1ccccn1 62a_100000703298_100011216584 [1,0,0,0,0,1|2,0,0]=4 1783 B11R1.40 CC(C#N)Sc1ccccn1 62a_100011216584_100000703298 [1,0,0,0,0,1|2,0,0]=4 1784 B11R1.40 CC(C#N)Sc1cccnc1 62a_100000210063_100000703298 [1,0,0,0,0,1|2,0,0]=4 1785 B11R1.40 CC(C#N)Sc1cccnc1 62a_100000703298_100000210063 [1,0,0,0,0,1|2,0,0]=4 1786 B11R1.40 CC(C#N)Sc1ccncc1 62a_100000703298_100000728582 [1,0,0,0,0,1|2,0,0]=4 1787 B11R1.40 CC(C#N)Sc1ccncc1 62a_100000728582_100000703298 [1,0,0,0,0,1|2,0,0]=4 1788 B11R1.40 N#CC(F)Sc1ccccc1 62a_100000719477_200000117898 [1,0,0,0,0,1|1,0,0]=3 1789 B11R1.40 N#CC(F)Sc1ccccc1 62a_200000117898_100000041952 [1,0,0,0,0,1|1,0,0]=3 1790 B11R1.40 N#CC(F)Sc1ccccn1 62a_100011216584_200000117898 [1,0,0,0,0,1|2,0,0]=4 1791 B11R1.40 N#CC(F)Sc1ccccn1 62a_200000117898_100011216584 [1,0,0,0,0,1|2,0,0]=4 1792 B11R1.40 N#CC(F)Sc1cccnc1 62a_100000210063_200000117898 [1,0,0,0,0,1|2,0,0]=4 1793 B11R1.40 N#CC(F)Sc1cccnc1 62a_200000117898_100000210063 [1,0,0,0,0,1|2,0,0]=4 1794 B11R1.40 N#CC(F)Sc1ccncc1 62a_100000728582_200000117898 [1,0,0,0,0,1|2,0,0]=4 1795 B11R1.40 N#CC(F)Sc1ccncc1 62a_200000117898_100000728582 [1,0,0,0,0,1|2,0,0]=4 1796 B13R1.14 C#CC(C)NCc1ccc(cc1)O 34a_100000185549_200000035995 [0,0,0,0,0,2|2,0,0]=4 1797 B13R1.14 C=C(C#N)CNc1ccc(cc1)O 34a_100000185829_100000694840 [0,0,0,0,0,2|1,0,1]=4 1798 B13R1.14 C=CC(O)CNc1ccc(cc1)O 34a_100000185829_100000730141 [0,0,0,0,0,2|1,0,1]=4 1799 B13R1.14 C=CC(O)CSc1ccc(cc1)O 62a_100000730141_100000185759 [0,0,0,0,0,2|1,0,1]=4 1800 B13R1.14 CC(C#N)NCc1ccc(cc1)Br 2230a_100000174875_100000184139 [0,0,0,0,0,2|2,0,0]=4 1801 B13R1.14 CC(C#N)NCc1ccc(cc1)Br 2230a_100000737613_100011217064 [0,0,0,0,0,2|2,0,0]=4 1802 B13R1.14 CC(C#N)NCc1ccc(cc1)Cl 2230a_100000174871_100000184139 [0,0,0,0,0,2|2,0,0]=4 1803 B13R1.14 CC(C#N)NCc1ccc(cc1)Cl 2230a_100000737613_100000694040 [0,0,0,0,0,2|2,0,0]=4 1804 B13R1.14 CC(C#N)NCc1ccc(cc1)F 2230a_100000174882_100000184139 [0,0,0,0,0,2|2,0,0]=4 1805 B13R1.14 CC(C#N)NCc1ccc(cc1)F 2230a_100000737613_100000198546 [0,0,0,0,0,2|2,0,0]=4 1806 B13R1.14 CC(C#N)NCc1ccc(cc1)I 2230a_100000737613_100000189116 [0,0,0,0,0,2|2,0,0]=4 1807 B13R1.14 CC(C#N)NCc1ccc(cc1)I 2230a_100016989417_100000184139 [0,0,0,0,0,2|2,0,0]=4 1808 B13R1.14 CC(C#N)NCc1ccc(nc1)O 2230a_100000757128_100000184139 [0,0,0,0,0,2|2,0,0]=4 1809 B13R1.14 CC(C#N)OCc1ccc(cc1)Br 34a_100011218135_100000189115 [0,0,0,0,0,2|2,0,0]=4 1810 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 34a_100011218135_100000694040 [0,0,0,0,0,2|2,0,0]=4 1811 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 7a_100000211118_100000703298 [0,0,0,0,0,2|2,0,0]=4 1812 B13R1.14 CC(C#N)OCc1ccc(cc1)F 34a_100011218135_100000198546 [0,0,0,0,0,2|2,0,0]=4 1813 B13R1.14 CC(C#N)OCc1ccc(cc1)F 7a_100000210977_100000703298 [0,0,0,0,0,2|2,0,0]=4 1814 B13R1.14 CC(C#N)OCc1ccc(cc1)I 34a_100011218135_100000189116 [0,0,0,0,0,2|2,0,0]=4 1815 B13R1.14 CC(C#N)OCc1ccc(cc1)I 7a_100000690907_100000703298 [0,0,0,0,0,2|2,0,0]=4 1816 B13R1.14 CC(C#N)SCc1ccc(cc1)Br 62a_100000189115_100000703298 [0,0,0,0,0,2|2,0,0]=4 1817 B13R1.14 CC(C#N)SCc1ccc(cc1)Br 62a_100000703298_100000189115 [0,0,0,0,0,2|2,0,0]=4 1818 B13R1.14 CC(C#N)SCc1ccc(cc1)Cl 62a_100000187161_100000703298 [0,0,0,0,0,2|2,0,0]=4 1819 B13R1.14 CC(C#N)SCc1ccc(cc1)Cl 62a_100000703298_100000187161 [0,0,0,0,0,2|2,0,0]=4 1820 B13R1.14 CC(C#N)SCc1ccc(cc1)F 62a_100000198546_100000703298 [0,0,0,0,0,2|2,0,0]=4 1821 B13R1.14 CC(C#N)SCc1ccc(cc1)F 62a_100000703298_100000187164 [0,0,0,0,0,2|2,0,0]=4 1822 B13R1.14 CC(C#N)SCc1ccc(cc1)I 62a_100000189116_100000703298 [0,0,0,0,0,2|2,0,0]=4 1823 B13R1.14 CC(C#N)SCc1ccc(cc1)I 62a_100000703298_100000189116 [0,0,0,0,0,2|2,0,0]=4 1824 B13R1.14 CCC(O)CNc1ccc(cc1)O 34a_100000185829_100011218378 [0,0,0,0,0,2|1,0,1]=4 1825 B13R1.14 CCC(O)CSc1ccc(cc1)O 62a_100011218378_100000185759 [0,0,0,0,0,2|1,0,1]=4 1826 B13R1.14 Cc1ccc(cc1)CNC(C)C#N 2230a_100000174908_100000184139 [0,0,0,0,0,2|2,0,0]=4 1827 B13R1.14 Cc1ccc(cc1)CNC(C)C#N 2230a_100000737613_100000210814 [0,0,0,0,0,2|2,0,0]=4 1828 B13R1.14 Cc1ccc(cc1)COC(C)C#N 34a_100011218135_100000210814 [0,0,0,0,0,2|2,0,0]=4 1829 B13R1.14 Cc1ccc(cc1)COC(C)C#N 7a_100011215236_100000703298 [0,0,0,0,0,2|2,0,0]=4 1830 B13R1.14 Cc1ccc(cc1)CSC(C)C#N 62a_100000210814_100000703298 [0,0,0,0,0,2|2,0,0]=4 1831 B13R1.14 Cc1ccc(cc1)CSC(C)C#N 62a_100000703298_100000210814 [0,0,0,0,0,2|2,0,0]=4 1832 B13R1.14 Cc1ccc(cc1)CSC(F)C#N 62a_100000210814_200000117898 [0,0,0,0,0,2|2,0,0]=4 1833 B13R1.14 Cc1ccc(cc1)CSC(F)C#N 62a_200000117898_100000210814 [0,0,0,0,0,2|2,0,0]=4 1834 B13R1.14 N#CC(F)SCc1ccc(cc1)Br 62a_100000189115_200000117898 [0,0,0,0,0,2|2,0,0]=4 1835 B13R1.14 N#CC(F)SCc1ccc(cc1)Br 62a_200000117898_100000189115 [0,0,0,0,0,2|2,0,0]=4 1836 B13R1.14 N#CC(F)SCc1ccc(cc1)Cl 62a_100000187161_200000117898 [0,0,0,0,0,2|2,0,0]=4 1837 B13R1.14 N#CC(F)SCc1ccc(cc1)Cl 62a_200000117898_100000187161 [0,0,0,0,0,2|2,0,0]=4 1838 B13R1.14 N#CC(F)SCc1ccc(cc1)F 62a_100000198546_200000117898 [0,0,0,0,0,2|2,0,0]=4 1839 B13R1.14 N#CC(F)SCc1ccc(cc1)F 62a_200000117898_100000187164 [0,0,0,0,0,2|2,0,0]=4 1840 B13R1.14 N#CC(F)SCc1ccc(cc1)I 62a_100000189116_200000117898 [0,0,0,0,0,2|2,0,0]=4 1841 B13R1.14 N#CC(F)SCc1ccc(cc1)I 62a_200000117898_100000189116 [0,0,0,0,0,2|2,0,0]=4 1842 B13R1.14 OCC(O)CNc1ccc(cc1)O 34a_100000185829_100011219619 [0,0,0,0,0,2|1,0,1]=4 1843 B13R1.14 OCC(O)CSc1ccc(cc1)O 62a_100011219619_100000185759 [0,0,0,0,0,2|1,0,1]=4 1844 B13R1.14 OC[C@H](O)CNc1ccc(cc1)O 34a_100000185829_100009815848 [0,0,0,0,0,2|1,0,1]=4 1845 B13R1.14 OC[C@H](O)CSc1ccc(cc1)O 62a_100009815848_100000185759 [0,0,0,0,0,2|1,0,1]=4 1846 B13R1.14 Oc1ccc(cc1)NC[C@@H](O)CF 34a_100000185829_100015614560 [0,0,0,0,0,2|1,0,1]=4 1847 B13R1.14 Oc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185759 [0,0,0,0,0,2|1,0,1]=4