0 B10R1.64 CC(=Cc1c[nH]nc1C)C 271570a_100102525489_100011912673 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.64 CC(=Cc1ccnn1C)C 271570a_100102525489_100000688441 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.64 CC(=Cc1ccsc1C)C 271570a_100102525489_100000684487 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.64 CC(=Cc1cnoc1C)C 271570a_100102525489_100009872056 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.64 CC(=Cc1cscc1C)C 271570a_100102525489_100000759966 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.64 CC(=Cc1nc[nH]c1C)C 271570a_100102525489_100009816806 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.64 CC(=Cc1ncsc1C)C 271570a_100102525489_100000732656 [0,0,0,0,0,0|3,1,0]=4 7 B10R1.64 CC(=Cc1sccc1C)C 271570a_100102525489_100000742657 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.64 CC(=Cc1scnc1C)C 271570a_100102525489_100009817116 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.64 CC(=O)Cc1ccnn1C 1458a_100000070787_100000691648 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.64 CC(=O)Cc1ccsc1Br 1458a_100000070787_100009814289 [0,0,0,0,0,0|2,1,0]=3 11 B10R1.64 CC(=O)Cc1ccsc1Cl 1458a_100000070787_100010167017 [0,0,0,0,0,0|2,1,0]=3 12 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.64 CC(=O)Cc1nonc1C 1458a_100000070787_200000044682 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.64 CC(=O)Cc1nonc1C 1458a_100000238572_200000210301 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.64 CC(=O)Cc1snnc1C 1458a_100000070787_100000732739 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.64 CC(=O)Cn1ccnc1C 1458a_100000740315_200000210301 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.64 CC(=O)Cn1nccc1C 1458a_100000759144_200000210301 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.64 CC(C)Sc1ccnn1C 62a_100000210206_100000688441 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.64 CC(C)Sc1ccnn1C 62a_100000688441_100000210206 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.64 Cc1[nH]cnc1SC(C)C 62a_100000210206_100010186451 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.64 Cc1[nH]cnc1SC(C)C 62a_100010186451_100000210206 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.64 Cc1ccnn1CC(=O)[13CH3] 1458a_100000759144_200025704644 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.64 Cc1ccsc1SC(C)C 62a_100000210206_100010247149 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.64 Cc1ccsc1SC(C)C 62a_100010247149_100000210206 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.64 Cc1cscc1SC(C)C 62a_100000210206_100000759966 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.64 Cc1cscc1SC(C)C 62a_100000759966_100000210206 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.64 Cc1n[nH]cc1SC(C)C 62a_100000210206_100000692133 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.64 Cc1n[nH]cc1SC(C)C 62a_100000692133_100000210206 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.64 Cc1nccn1CC(=O)[13CH3] 1458a_100000740315_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.64 Cc1ncsc1SC(C)C 62a_100000210206_100009817116 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.64 Cc1ncsc1SC(C)C 62a_100009817116_100000210206 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.64 Cc1nonc1CC(=O)[13CH3] 1458a_100000238572_200025704644 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.64 Cc1occc1CN(C)C 2230a_100000745204_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.64 Cc1occc1CN(C)C 269982a_100000745204_200000210301 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.64 Cc1occc1CN(C)[13CH3] 2230a_100000745204_200025704644 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.64 Cc1occc1CN(C)[13CH3] 269982a_100000745204_200025704644 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.64 Cc1ocnc1CN(C)C 2230a_100102631434_200000693990 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.64 Cc1oncc1SC(C)C 62a_100000210206_100009872056 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.64 Cc1oncc1SC(C)C 62a_100009872056_100000210206 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.64 Cc1sccc1SC(C)C 62a_100000210206_100000684487 [0,0,0,0,0,0|1,1,1]=3 42 B10R1.64 Cc1sccc1SC(C)C 62a_100000684487_100000210206 [0,0,0,0,0,0|1,1,1]=3 43 B10R1.64 Cc1scnc1SC(C)C 62a_100000210206_100000732656 [0,0,0,0,0,0|2,1,1]=4 44 B10R1.64 Cc1scnc1SC(C)C 62a_100000732656_100000210206 [0,0,0,0,0,0|2,1,1]=4 45 B9R1.13 CC(=Cc1ccoc1)C 271570a_100102525489_100011215275 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.13 CC(=Cc1ccsc1)C 271570a_100102525489_100000738268 [1,0,0,0,0,0|2,1,0]=4 47 B9R1.13 CC(=Cc1cnoc1)C 271570a_100102525489_100009815712 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [1,0,0,0,0,0|1,1,0]=3 58 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [1,0,0,0,0,0|1,1,0]=3 59 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [1,0,0,0,0,0|2,1,0]=4 61 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [1,0,0,0,0,0|2,1,0]=4 62 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.13 CC(=O)Cn1ccnc1 1458a_100000739072_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.13 CC(C)Sc1ccoc1 62a_100000210206_100011215275 [1,0,0,0,0,0|1,0,1]=3 65 B9R1.13 CC(C)Sc1ccoc1 62a_100011215275_100000210206 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.13 CC(C)Sc1ccon1 62a_100000210206_100009818083 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.13 CC(C)Sc1ccon1 62a_100009818083_100000210206 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.13 CC(C)Sc1ccsc1 62a_100000210206_100000738268 [1,0,0,0,0,0|1,1,1]=4 69 B9R1.13 CC(C)Sc1ccsc1 62a_100000738268_100000210206 [1,0,0,0,0,0|1,1,1]=4 70 B9R1.13 CC(C)Sc1cnoc1 62a_100000210206_100009815712 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.13 CC(C)Sc1cnoc1 62a_100009815712_100000210206 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.13 CN(C)Cc1ccoc1 270004a_100102631434_100011215517 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [1,0,0,0,0,0|1,1,0]=3 80 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [1,0,0,0,0,0|2,1,0]=4 81 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.13 [13CH3]C(=O)Cn1ccnc1 1458a_100000739072_200025704644 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.33 CC=Cc1c[nH]nc1C 271570a_100016259895_100011912673 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.33 CC=Cc1ccnn1C 271570a_100016259895_100000688441 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.33 CC=Cc1ccsc1C 271570a_100016259895_100000684487 [1,0,0,0,0,0|1,1,0]=3 86 B9R1.33 CC=Cc1cnoc1C 271570a_100016259895_100009872056 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.33 CC=Cc1cscc1C 271570a_100016259895_100000759966 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.33 CC=Cc1nc[nH]c1C 271570a_100016259895_100009816806 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.33 CC=Cc1ncsc1C 271570a_100016259895_100000732656 [1,0,0,0,0,0|2,1,0]=4 90 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.33 CC=Cc1scnc1C 271570a_100016259895_100009817116 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.33 CCSc1c[nH]nc1C 62a_100000210202_100000692133 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.33 CCSc1c[nH]nc1C 62a_100000692133_100000210202 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.33 CCSc1ccnn1C 62a_100000210202_100000688441 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.33 CCSc1ccnn1C 62a_100000688441_100000210202 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.33 CCSc1ccsc1C 62a_100000210202_100000684487 [1,0,0,0,0,0|0,1,1]=3 97 B9R1.33 CCSc1ccsc1C 62a_100000684487_100000210202 [1,0,0,0,0,0|0,1,1]=3 98 B9R1.33 CCSc1cnoc1C 62a_100000210202_100009872056 [1,0,0,0,0,0|1,0,1]=3 99 B9R1.33 CCSc1cnoc1C 62a_100009872056_100000210202 [1,0,0,0,0,0|1,0,1]=3 100 B9R1.33 CCSc1cscc1C 62a_100000210202_100000759966 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.33 CCSc1cscc1C 62a_100000759966_100000210202 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.33 CCSc1nc[nH]c1C 62a_100000210202_100010186451 [1,0,0,0,0,0|2,0,1]=4 103 B9R1.33 CCSc1nc[nH]c1C 62a_100010186451_100000210202 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.33 CCSc1ncsc1C 62a_100000210202_100000732656 [1,0,0,0,0,0|1,1,1]=4 105 B9R1.33 CCSc1ncsc1C 62a_100000732656_100000210202 [1,0,0,0,0,0|1,1,1]=4 106 B9R1.33 CCSc1sccc1C 62a_100000210202_100010247149 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.33 CCSc1sccc1C 62a_100010247149_100000210202 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.33 CCSc1scnc1C 62a_100000210202_100009817116 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.33 CCSc1scnc1C 62a_100009817116_100000210202 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.33 CNCc1ncoc1C 2230a_106832991635_200000693990 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.33 CNCc1ncoc1C 34a_100102657272_200000693990 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.33 CNCc1ncoc1C 7a_106832991635_200000693990 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.33 COCc1ccoc1C 34a_100011219433_200000210301 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.33 COCc1ccoc1C 7a_100011219433_200000210301 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.33 COCc1ncoc1C 34a_100012017639_200000210301 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.33 COCc1ncoc1C 34a_100138415774_200000693990 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.33 CSCc1ncoc1C 62a_200000210301_200000693990 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.33 CSCc1ncoc1C 62a_200000693990_200000210301 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.33 Cc1occc1CO[13CH3] 34a_100011219433_200025704644 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.33 Cc1occc1CO[13CH3] 7a_100011219433_200025704644 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.33 Cc1ocnc1CO[13CH3] 34a_100012017639_200025704644 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200000693990_200025704644 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.33 Cc1ocnc1CS[13CH3] 62a_200025704644_200000693990 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.33 Cc1oncc1SCF 62a_100009872056_100015361967 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.33 Cc1oncc1SCF 62a_100015361967_100009872056 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.33 Cc1sccc1SCF 62a_100000684487_100015361967 [1,0,0,0,0,0|1,1,1]=4 127 B9R1.33 Cc1sccc1SCF 62a_100015361967_100000684487 [1,0,0,0,0,0|1,1,1]=4 128 B11R1.57 CC(=Cc1ccoc1C=O)C 271570a_100102525489_100000756499 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.57 CC(=Cc1ccsc1CO)C 271570a_100102525489_100000702026 [0,1,0,0,0,0|2,1,0]=4 130 B11R1.57 CC(C)Sc1ccoc1C=O 62a_100000210206_100000756499 [0,1,0,0,0,0|1,0,2]=4 131 B11R1.57 CC(C)Sc1ccoc1C=O 62a_100000756499_100000210206 [0,1,0,0,0,0|1,0,2]=4 132 B11R1.57 CC(C)Sc1ccsc1CO 62a_100000210206_100000702026 [0,1,0,0,0,0|1,1,1]=4 133 B11R1.57 CC(C)Sc1ccsc1CO 62a_100000702026_100000210206 [0,1,0,0,0,0|1,1,1]=4 134 B11R1.57 CCc1nccn1CC(=O)C 1458a_100000740297_200000210301 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.57 CCc1nccn1CC(=O)[13CH3] 1458a_100000740297_200025704644 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.57 CCn1nccc1CC(=O)C 1458a_100000070787_100025719316 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.57 CSc1sccc1C=C(C)C 271570a_100102525489_200010341309 [0,1,0,0,0,0|2,1,0]=4 138 B11R1.57 CSc1sccc1SC(C)C 62a_100000210206_200010341309 [0,1,0,0,0,0|1,1,1]=4 139 B11R1.57 CSc1sccc1SC(C)C 62a_200010341309_100000210206 [0,1,0,0,0,0|1,1,1]=4 140 B11R1.89 CC(=C(C)c1ccsc1C)C 271570a_200000049429_100000684487 [0,1,0,0,0,0|2,1,0]=4 141 B11R1.89 CC(=C(C)c1cnoc1C)C 271570a_200000049429_100009872056 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.89 CC(=O)C(C)n1ccnc1C 1458a_200000745615_200000210301 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.89 Cc1nccn1C(C)C(=O)[13CH3] 1458a_200000745615_200025704644 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.105 Cc1oncc1SC(C)(C)C 62a_100000211941_100009872056 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.105 Cc1oncc1SC(C)(C)C 62a_100009872056_100000211941 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.105 Cc1sccc1SC(C)(C)C 62a_100000211941_100000684487 [0,1,0,0,0,0|1,1,1]=4 147 B11R1.105 Cc1sccc1SC(C)(C)C 62a_100000684487_100000211941 [0,1,0,0,0,0|1,1,1]=4 148 B11R1.228 C#CC(=O)Cc1ncoc1C 1458a_100000211873_200000693990 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.228 C#CC(C)Sc1ccsc1C 62a_200000035995_100000684487 [0,1,0,0,0,0|1,1,1]=4 150 B11R1.228 C#CC(C)Sc1cnoc1C 62a_200000035995_100009872056 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.228 C=CC(=O)Cc1ncoc1C 1458a_100000185746_200000693990 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.228 C=CC(C)Sc1ccsc1C 62a_100011215867_100000684487 [0,1,0,0,0,0|1,1,1]=4 153 B11R1.228 C=CC(C)Sc1cnoc1C 62a_100011215867_100009872056 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.228 CCC(=O)Cc1ccnn1C 1458a_100000210414_100000691648 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.228 CCC(=O)Cc1ccsc1Br 1458a_100000210414_100009814289 [0,1,0,0,0,0|2,1,0]=4 156 B11R1.228 CCC(=O)Cc1ccsc1Cl 1458a_100000210414_100010167017 [0,1,0,0,0,0|2,1,0]=4 157 B11R1.228 CCC(=O)Cc1nc[nH]c1C 1458a_100000210414_100000751220 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.228 CCC(=O)Cc1ncoc1C 1458a_100000210414_200000693990 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.228 CCC(=O)Cn1ccnc1C 1458a_100000740315_100000210202 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.228 CCC(C)Sc1ccsc1C 62a_100000684487_100000758301 [0,1,0,0,0,0|1,1,1]=4 161 B11R1.228 CCC(C)Sc1ccsc1C 62a_100000758301_100000684487 [0,1,0,0,0,0|1,1,1]=4 162 B11R1.228 CCC(C)Sc1cnoc1C 62a_100000758301_100009872056 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.228 CCC(C)Sc1cnoc1C 62a_100009872056_100000758301 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.228 CCN(C)Cc1ccoc1C 2230a_100000745204_100000210202 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.228 CCN(C)Cc1ccoc1C 269982a_100000745204_100000204670 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.228 CNC(=O)Cn1ccnc1C 11a_106832991635_100000740315 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.228 CNC(=O)Cn1ccnc1C 1626a_100102657272_100000740315 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.228 CNC(=O)Cn1ccnc1C 240690a_100102657272_100000740315 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.228 COC(C)Sc1ccsc1C 62a_100000684487_100009879195 [0,1,0,0,0,0|0,1,2]=4 170 B11R1.228 COC(C)Sc1ccsc1C 62a_100009879195_100000684487 [0,1,0,0,0,0|0,1,2]=4 171 B11R1.228 COC(C)Sc1cnoc1C 62a_100009872056_100009879195 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.228 COC(C)Sc1cnoc1C 62a_100009879195_100009872056 [0,1,0,0,0,0|1,0,2]=4 173 B11R1.228 Cc1[nH]cnc1CC(=O)CO 1458a_100000210174_100000751220 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.228 Cc1nccn1CC(=O)CF 1458a_100000740315_100015361967 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.228 Cc1occc1CN(C)CF 269982a_100000745204_100015361967 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.228 Cc1ocnc1CC(=O)CO 1458a_100000210174_200000693990 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.228 Cc1oncc1SC(C)C#N 62a_100000703298_100009872056 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.228 Cc1oncc1SC(C)C#N 62a_100009872056_100000703298 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.228 Cc1oncc1SC(C)CO 62a_100012180447_100009872056 [0,1,0,0,0,0|1,0,2]=4 180 B11R1.228 Cc1oncc1S[C@H](C)CO 62a_100009872056_100016084084 [0,1,0,0,0,0|1,0,2]=4 181 B11R1.228 Cc1oncc1S[C@H](C)CO 62a_100016084084_100009872056 [0,1,0,0,0,0|1,0,2]=4 182 B11R1.228 Cc1sccc1SC(C)C#N 62a_100000684487_100000703298 [0,1,0,0,0,0|1,1,1]=4 183 B11R1.228 Cc1sccc1SC(C)C#N 62a_100000703298_100000684487 [0,1,0,0,0,0|1,1,1]=4 184 B11R1.228 Cc1sccc1SC(C)CO 62a_100012180447_100000684487 [0,1,0,0,0,0|0,1,2]=4 185 B11R1.228 Cc1sccc1S[C@H](C)CO 62a_100000684487_100016084084 [0,1,0,0,0,0|0,1,2]=4 186 B11R1.228 Cc1sccc1S[C@H](C)CO 62a_100016084084_100000684487 [0,1,0,0,0,0|0,1,2]=4 187 B11R1.228 Cn1nccc1CC(=O)CO 1458a_100000210174_100000691648 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.228 O=C(CO)Cc1ccsc1Br 1458a_100000210174_100009814289 [0,1,0,0,0,0|2,1,0]=4 189 B11R1.228 O=C(CO)Cc1ccsc1Cl 1458a_100000210174_100010167017 [0,1,0,0,0,0|2,1,0]=4 190 B11R1.495 CC(=Cc1c(noc1C)C)C 271570a_100102525489_100000694658 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.495 CC(=Cc1c(noc1C)N)C 271570a_100102525489_100011216220 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.495 CC(=Cc1c(noc1C)O)C 271570a_100102525489_100010730664 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.495 CC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_200000210301 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.495 CC(=O)Cc1c(noc1C)C 1458a_100000070787_100000184612 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.495 CC(=O)Cc1c(noc1C)C 1458a_100000195403_200000210301 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.495 CC(=O)Cn1c(ccc1C)C 1458a_100000238583_200000210301 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.495 Cc1ccc(n1CC(=O)[13CH3])C 1458a_100000238583_200025704644 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.495 Cc1n[nH]c(c1CC(=O)[13CH3])C 1458a_200000188034_200025704644 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.495 Cc1noc(c1CC(=O)[13CH3])C 1458a_100000195403_200025704644 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.495 Cc1noc(c1SC(C)C)C 62a_100000210206_100000694658 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.495 Cc1noc(c1SC(C)C)C 62a_100000694658_100000210206 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.495 Cc1onc(c1SC(C)C)N 62a_100000210206_100011216220 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.495 Cc1onc(c1SC(C)C)N 62a_100011216220_100000210206 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.495 Cc1onc(c1SC(C)C)O 62a_100000210206_100010730664 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.495 Cc1onc(c1SC(C)C)O 62a_100010730664_100000210206 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.645 CC(=Cc1cc(sc1C)C)C 271570a_100102525489_100000688054 [0,1,0,0,0,0|2,1,0]=4 207 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100000070787_100025716357 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100132302298_200000210301 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.645 CC(=O)Cc1cc(sc1Br)Br 1458a_200103147941_200000210301 [0,1,0,0,0,0|2,1,0]=4 210 B11R1.645 CC(=O)Cc1cn(nc1C)C 1458a_100000070787_100015186178 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.645 CC(=O)Cc1nc(sc1C)C 1458a_100000040699_200000210301 [0,1,0,0,0,0|2,1,0]=4 212 B11R1.645 CC(=O)Cc1oc(=O)oc1C 1458a_100000070787_100000068490 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.645 CC(=O)Cc1sc(nc1C)C 1458a_100000070787_100000760948 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.645 CC(=O)Cc1sc(nc1C)C 1458a_100025788167_200000210301 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.645 Cc1cc(c(s1)C)SC(C)C 62a_100000210206_100000688054 [0,1,0,0,0,0|1,1,1]=4 216 B11R1.645 Cc1cc(c(s1)C)SC(C)C 62a_100000688054_100000210206 [0,1,0,0,0,0|1,1,1]=4 217 B11R1.645 Cc1cc(n(n1)C)CC(=O)[13CH3] 1458a_100132302298_200025704644 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.645 Cc1nc(c(s1)C)CC(=O)[13CH3] 1458a_100000040699_200025704644 [0,1,0,0,0,0|2,1,0]=4 219 B11R1.645 Cc1nc(c(s1)CC(=O)[13CH3])C 1458a_100025788167_200025704644 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.645 [13CH3]C(=O)Cc1cc(sc1Br)Br 1458a_200103147941_200025704644 [0,1,0,0,0,0|2,1,0]=4 221 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,0,1,0,0,0|2,0,1]=4 222 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,0,1,0,0,0|2,0,1]=4 223 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,0,1,0,0,0|2,0,1]=4 224 B11R2.115 Cc1oncc1SC2CC2 62a_100009872056_100000211595 [0,0,0,1,0,0|2,0,1]=4 225 B11R2.115 Cc1sccc1SC2CC2 62a_100000684487_100000211595 [0,0,0,1,0,0|1,1,1]=4 226 B9R1.41 C=C(C)c1c[nH]nc1C 271570a_100000694244_100011912673 [0,0,0,0,1,0|3,0,0]=4 227 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [0,0,0,0,1,0|3,0,0]=4 228 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,0,0,0,1,0|1,1,0]=3 229 B9R1.41 C=C(C)c1cnoc1C 271570a_100000694244_100009872056 [0,0,0,0,1,0|2,0,0]=3 230 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,0,0,0,1,0|3,0,0]=4 231 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [0,0,0,0,1,0|3,0,0]=4 232 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [0,0,0,0,1,0|2,1,0]=4 233 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,0,0,0,1,0|3,0,0]=4 234 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [0,0,0,0,1,0|3,0,0]=4 235 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,0,0,0,1,0|3,0,0]=4 236 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,0,0,0,1,0|3,0,0]=4 237 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,0,0,0,0,1|3,0,0]=4 238 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [0,0,0,0,0,1|3,0,0]=4 239 B11R1.86 CC(=Cc1ccncc1C)C 271570a_100102525489_100015191297 [0,0,0,0,0,1|3,0,0]=4 240 B11R1.86 CC(=Cc1cnccc1C)C 271570a_100102525489_100000761580 [0,0,0,0,0,1|3,0,0]=4 241 B11R1.86 CC(=Cc1cncnc1C)C 271570a_100102525489_100009819671 [0,0,0,0,0,1|3,0,0]=4 242 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,0,0,0,0,1|3,0,0]=4 243 B11R1.86 CC(=Cc1nccnc1C)C 271570a_100102525489_100011999405 [0,0,0,0,0,1|3,0,0]=4 244 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,0,0,0,0,1|3,0,0]=4 245 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,0,0,0,0,1|3,0,0]=4 246 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,0,0,0,0,1|2,0,0]=3 247 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,0,0,0,0,1|2,0,0]=3 248 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,0,0,0,0,1|3,0,0]=4 249 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,0,0,0,0,1|3,0,0]=4 250 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,0,0,0,0,1|3,0,0]=4 251 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,0,0,0,0,1|3,0,0]=4 252 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,0,0,0,0,1|3,0,0]=4 253 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,0,0,0,0,1|3,0,0]=4 254 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,0,0,0,0,1|3,0,0]=4 255 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,0,0,0,0,1|3,0,0]=4 256 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,0,0,0,0,1|3,0,0]=4 257 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,0,0,0,0,1|2,0,0]=3 258 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,0,0,0,0,1|3,0,0]=4 259 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,0,0,0,0,1|3,0,0]=4 260 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,0,0,0,0,1|3,0,0]=4 261 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,0,0,0,0,1|2,0,0]=3 262 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,0,0,0,0,1|3,0,0]=4 263 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,0,0,0,0,1|2,0,0]=3 264 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,0,0,0,0,1|3,0,0]=4 265 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,0,0,0,0,1|3,0,0]=4 266 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,0,0,0,0,1|2,0,0]=3 267 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,0,0,0,0,1|2,0,0]=3 268 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,0,0,0,0,1|3,0,0]=4 269 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,0,0,0,0,1|3,0,0]=4 270 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,0,0,0,0,1|3,0,0]=4 271 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,0,0,0,0,1|3,0,0]=4 272 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,0,0,0,0,1|3,0,0]=4 273 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,0,0,0,0,1|3,0,0]=4 274 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,0,0,0,0,1|2,0,0]=3 275 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,0,0,0,0,1|2,0,0]=3 276 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,0,0,0,0,1|2,0,0]=3 277 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,0,0,0,0,1|2,0,0]=3 278 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,0,0,0,0,1|3,0,0]=4 279 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,0,0,0,0,1|3,0,0]=4 280 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,0,0,0,0,1|3,0,0]=4 281 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,0,0,0,0,1|3,0,0]=4 282 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,0,0,0,0,1|3,0,0]=4 283 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,0,0,0,0,1|3,0,0]=4 284 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,0,0,0,0,1|3,0,0]=4 285 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,0,0,0,0,1|3,0,0]=4 286 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,0,0,0,0,1|3,0,0]=4 287 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,0,0,0,0,1|3,0,0]=4 288 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,0,0,0,0,1|3,0,0]=4 289 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,0,0,0,0,1|3,0,0]=4 290 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,0,0,0,0,1|3,0,0]=4 291 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,0,0,0,0,1|3,0,0]=4 292 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,0,0,0,0,1|2,1,0]=4 293 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,0,0,0,0,1|2,1,0]=4 294 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,0,0,0,0,1|2,0,0]=3 295 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [0,0,0,0,0,1|2,0,1]=4 296 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [0,0,0,0,0,1|2,0,1]=4 297 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,0,0,0,0,1|2,0,0]=3 298 B11R1.86 Cc1cccnc1SC(C)C 62a_100000210206_100000751373 [0,0,0,0,0,1|2,0,1]=4 299 B11R1.86 Cc1cccnc1SC(C)C 62a_100000751373_100000210206 [0,0,0,0,0,1|2,0,1]=4 300 B11R1.86 Cc1ccncc1SC(C)C 62a_100000210206_100000761580 [0,0,0,0,0,1|2,0,1]=4 301 B11R1.86 Cc1ccncc1SC(C)C 62a_100000761580_100000210206 [0,0,0,0,0,1|2,0,1]=4 302 B11R1.86 Cc1cnccc1SC(C)C 62a_100000210206_100000765111 [0,0,0,0,0,1|2,0,1]=4 303 B11R1.86 Cc1cnccc1SC(C)C 62a_100000765111_100000210206 [0,0,0,0,0,1|2,0,1]=4 304 B11R1.86 Cc1ncccc1SC(C)C 62a_100000210206_100000751574 [0,0,0,0,0,1|2,0,1]=4 305 B11R1.86 Cc1ncccc1SC(C)C 62a_100000751574_100000210206 [0,0,0,0,0,1|2,0,1]=4 306 B11R1.86 Cc1nccnc1SC(C)C 62a_100000210206_100011999405 [0,0,0,0,0,1|2,0,1]=4 307 B11R1.86 Cc1nccnc1SC(C)C 62a_100011999405_100000210206 [0,0,0,0,0,1|2,0,1]=4 308 B11R1.86 Cc1ncncc1SC(C)C 62a_100000210206_100009819671 [0,0,0,0,0,1|2,0,1]=4 309 B11R1.86 Cc1ncncc1SC(C)C 62a_100009819671_100000210206 [0,0,0,0,0,1|2,0,1]=4 310 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,0,0,0,0,1|3,0,0]=4 311 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,0,0,0,0,1|3,0,0]=4 312 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,0,0,0,0,1|3,0,0]=4 313 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,0,0,0,0,1|3,0,0]=4 314 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,0,0,0,0,1|3,0,0]=4 315 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,0,0,0,0,1|3,0,0]=4 316 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,0,0,0,0,1|3,0,0]=4 317 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,0,0,0,0,1|3,0,0]=4 318 B11R1.90 C=C(C)CSc1c[nH]nc1C 62a_100000692133_100000211660 [0,0,0,0,0,1|3,0,0]=4 319 B11R1.90 C=C(C)CSc1c[nH]nc1C 62a_100000748629_100000692133 [0,0,0,0,0,1|3,0,0]=4 320 B11R1.90 C=C(C)CSc1ccnn1C 62a_100000688441_100000211660 [0,0,0,0,0,1|3,0,0]=4 321 B11R1.90 C=C(C)CSc1ccnn1C 62a_100000748629_100000688441 [0,0,0,0,0,1|3,0,0]=4 322 B11R1.90 C=C(C)CSc1ccsc1C 62a_100000684487_100000211660 [0,0,0,0,0,1|1,1,0]=3 323 B11R1.90 C=C(C)CSc1ccsc1C 62a_100000748629_100000684487 [0,0,0,0,0,1|1,1,0]=3 324 B11R1.90 C=C(C)CSc1cnoc1C 62a_100000748629_100009872056 [0,0,0,0,0,1|2,0,0]=3 325 B11R1.90 C=C(C)CSc1cnoc1C 62a_100009872056_100000211660 [0,0,0,0,0,1|2,0,0]=3 326 B11R1.90 C=C(C)CSc1cscc1C 62a_100000748629_100000759966 [0,0,0,0,0,1|3,0,0]=4 327 B11R1.90 C=C(C)CSc1cscc1C 62a_100000759966_100000211660 [0,0,0,0,0,1|3,0,0]=4 328 B11R1.90 C=C(C)CSc1nc[nH]c1C 62a_100000748629_100010186451 [0,0,0,0,0,1|3,0,0]=4 329 B11R1.90 C=C(C)CSc1nc[nH]c1C 62a_100010186451_100000211660 [0,0,0,0,0,1|3,0,0]=4 330 B11R1.90 C=C(C)CSc1ncsc1C 62a_100000732656_100000211660 [0,0,0,0,0,1|2,1,0]=4 331 B11R1.90 C=C(C)CSc1ncsc1C 62a_100000748629_100000732656 [0,0,0,0,0,1|2,1,0]=4 332 B11R1.90 C=C(C)CSc1sccc1C 62a_100000748629_100010247149 [0,0,0,0,0,1|3,0,0]=4 333 B11R1.90 C=C(C)CSc1sccc1C 62a_100010247149_100000211660 [0,0,0,0,0,1|3,0,0]=4 334 B11R1.90 C=C(C)CSc1scnc1C 62a_100000748629_100009817116 [0,0,0,0,0,1|3,0,0]=4 335 B11R1.90 C=C(C)CSc1scnc1C 62a_100009817116_100000211660 [0,0,0,0,0,1|3,0,0]=4 336 B11R1.90 C=C(F)CSc1ccsc1C 62a_100000042424_100000684487 [0,0,0,0,0,1|1,1,1]=4 337 B11R1.90 C=C(F)CSc1ccsc1C 62a_100000684487_100000042424 [0,0,0,0,0,1|1,1,1]=4 338 B11R1.90 C=C(F)CSc1cnoc1C 62a_100000042424_100009872056 [0,0,0,0,0,1|2,0,1]=4 339 B11R1.90 C=C(F)CSc1cnoc1C 62a_100009872056_100000042424 [0,0,0,0,0,1|2,0,1]=4 340 B11R1.90 CC(=O)C=Cc1ccnn1C 1458a_100102528386_200000210301 [0,0,0,0,0,1|3,0,0]=4 341 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,0,0,0,0,1|3,0,0]=4 342 B11R1.90 CC(=O)CCc1ccnn1C 1458a_100000763893_200000210301 [0,0,0,0,0,1|3,0,0]=4 343 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,0,0,0,0,1|3,0,0]=4 344 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,0,0,0,0,1|3,0,0]=4 345 B11R1.90 CC(=O)CCn1ccnc1C 1458a_100000070787_100000742477 [0,0,0,0,0,1|3,0,0]=4 346 B11R1.90 CC(=O)CCn1ccnc1C 1458a_100000186006_200000210301 [0,0,0,0,0,1|3,0,0]=4 347 B11R1.90 CC(=O)NCc1c[nH]nc1C 240690a_100000737071_100015343762 [0,0,0,0,0,1|3,0,0]=4 348 B11R1.90 CC(=O)NCc1c[nH]nc1C 527a_100000737071_100103153847 [0,0,0,0,0,1|3,0,0]=4 349 B11R1.90 CC(=O)NCc1cccn1C 11a_100011219357_100015343762 [0,0,0,0,0,1|3,0,0]=4 350 B11R1.90 CC(=O)NCc1cccn1C 1626a_100011219357_100015343762 [0,0,0,0,0,1|3,0,0]=4 351 B11R1.90 CC(=O)NCc1cccn1C 240690a_100011219357_100015343762 [0,0,0,0,0,1|3,0,0]=4 352 B11R1.90 CC(=O)NCc1cccn1C 527a_100011219357_100103153847 [0,0,0,0,0,1|3,0,0]=4 353 B11R1.90 CC(=O)NCc1ccnn1C 11a_100025706696_100015343762 [0,0,0,0,0,1|3,0,0]=4 354 B11R1.90 CC(=O)NCc1ccnn1C 240690a_100025706696_100015343762 [0,0,0,0,0,1|3,0,0]=4 355 B11R1.90 CC(=O)NCc1ccnn1C 527a_100025706696_100103153847 [0,0,0,0,0,1|3,0,0]=4 356 B11R1.90 CC(=O)NCc1ccsc1Br 11a_100000727803_100015343762 [0,0,0,0,0,1|2,1,0]=4 357 B11R1.90 CC(=O)NCc1ccsc1Br 1626a_100000727803_100015343762 [0,0,0,0,0,1|2,1,0]=4 358 B11R1.90 CC(=O)NCc1ccsc1Br 240690a_100000727803_100015343762 [0,0,0,0,0,1|2,1,0]=4 359 B11R1.90 CC(=O)NCc1ccsc1Br 527a_100000727803_100103153847 [0,0,0,0,0,1|2,1,0]=4 360 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,0,0,0,0,1|3,0,0]=4 361 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,0,0,0,0,1|3,0,0]=4 362 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,0,0,0,0,1|3,0,0]=4 363 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,0,0,0,0,1|3,0,0]=4 364 B11R1.90 CC(=O)NCc1scnc1C 11a_100000752186_100015343762 [0,0,0,0,0,1|3,0,0]=4 365 B11R1.90 CC(=O)NCc1scnc1C 1626a_100000752186_100015343762 [0,0,0,0,0,1|3,0,0]=4 366 B11R1.90 CC(=O)NCc1scnc1C 240690a_100000752186_100015343762 [0,0,0,0,0,1|3,0,0]=4 367 B11R1.90 CC(=O)NCc1scnc1C 527a_100000752186_100103153847 [0,0,0,0,0,1|3,0,0]=4 368 B11R1.90 Cc1[nH]cnc1SCC(=O)N 62a_100000747473_100010186451 [0,0,0,0,0,1|3,0,0]=4 369 B11R1.90 Cc1[nH]cnc1SCC(=O)N 62a_100010186451_100000747473 [0,0,0,0,0,1|3,0,0]=4 370 B11R1.90 Cc1[nH]cnc1SCC(=O)[O-] 62a_100010186451_100020667443 [0,0,0,0,0,1|3,0,0]=4 371 B11R1.90 Cc1[nH]cnc1SCC(=O)[O-] 62a_100020667443_100010186451 [0,0,0,0,0,1|3,0,0]=4 372 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,0,0,0,0,1|3,0,0]=4 373 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100000747473_100010247149 [0,0,0,0,0,1|3,0,0]=4 374 B11R1.90 Cc1ccsc1SCC(=O)N 62a_100010247149_100000747473 [0,0,0,0,0,1|3,0,0]=4 375 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100010247149_100020667443 [0,0,0,0,0,1|3,0,0]=4 376 B11R1.90 Cc1ccsc1SCC(=O)[O-] 62a_100020667443_100010247149 [0,0,0,0,0,1|3,0,0]=4 377 B11R1.90 Cc1cscc1SCC(=O)N 62a_100000747473_100000759966 [0,0,0,0,0,1|3,0,0]=4 378 B11R1.90 Cc1cscc1SCC(=O)N 62a_100000759966_100000747473 [0,0,0,0,0,1|3,0,0]=4 379 B11R1.90 Cc1cscc1SCC(=O)[O-] 62a_100000759966_100020667443 [0,0,0,0,0,1|3,0,0]=4 380 B11R1.90 Cc1cscc1SCC(=O)[O-] 62a_100020667443_100000759966 [0,0,0,0,0,1|3,0,0]=4 381 B11R1.90 Cc1n[nH]cc1SCC(=O)N 62a_100000692133_100000747473 [0,0,0,0,0,1|3,0,0]=4 382 B11R1.90 Cc1n[nH]cc1SCC(=O)N 62a_100000747473_100000692133 [0,0,0,0,0,1|3,0,0]=4 383 B11R1.90 Cc1n[nH]cc1SCC(=O)[O-] 62a_100000692133_100020667443 [0,0,0,0,0,1|3,0,0]=4 384 B11R1.90 Cc1n[nH]cc1SCC(=O)[O-] 62a_100020667443_100000692133 [0,0,0,0,0,1|3,0,0]=4 385 B11R1.90 Cc1nccn1CCC(=O)[13CH3] 1458a_100000186006_200025704644 [0,0,0,0,0,1|3,0,0]=4 386 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,0,0,0,0,1|3,0,0]=4 387 B11R1.90 Cc1ncsc1SCC(=O)N 62a_100000747473_100009817116 [0,0,0,0,0,1|3,0,0]=4 388 B11R1.90 Cc1ncsc1SCC(=O)N 62a_100009817116_100000747473 [0,0,0,0,0,1|3,0,0]=4 389 B11R1.90 Cc1ncsc1SCC(=O)[O-] 62a_100009817116_100020667443 [0,0,0,0,0,1|3,0,0]=4 390 B11R1.90 Cc1ncsc1SCC(=O)[O-] 62a_100020667443_100009817116 [0,0,0,0,0,1|3,0,0]=4 391 B11R1.90 Cc1occc1COC(C)C 34a_100011219433_100000210206 [0,0,0,0,0,1|1,1,1]=4 392 B11R1.90 Cc1occc1COC(C)C 7a_100011219433_100000210206 [0,0,0,0,0,1|1,1,1]=4 393 B11R1.90 Cc1ocnc1CSC(C)C 62a_100000210206_200000693990 [0,0,0,0,0,1|2,0,1]=4 394 B11R1.90 Cc1ocnc1CSC(C)C 62a_200000693990_100000210206 [0,0,0,0,0,1|2,0,1]=4 395 B11R1.90 Cc1oncc1SCC(=O)N 62a_100000747473_100009872056 [0,0,0,0,0,1|2,0,0]=3 396 B11R1.90 Cc1oncc1SCC(=O)N 62a_100009872056_100000747473 [0,0,0,0,0,1|2,0,0]=3 397 B11R1.90 Cc1oncc1SCC(=O)[O-] 62a_100009872056_100020667443 [0,0,0,0,0,1|2,0,0]=3 398 B11R1.90 Cc1oncc1SCC(=O)[O-] 62a_100020667443_100009872056 [0,0,0,0,0,1|2,0,0]=3 399 B11R1.90 Cc1oncc1SCC(C)C 62a_100000210624_100009872056 [0,0,0,0,0,1|2,0,1]=4 400 B11R1.90 Cc1oncc1SCC(C)C 62a_100009872056_100000210760 [0,0,0,0,0,1|2,0,1]=4 401 B11R1.90 Cc1oncc1SCC(C)O 62a_100009872056_100011218427 [0,0,0,0,0,1|1,0,2]=4 402 B11R1.90 Cc1oncc1SCC(C)O 62a_100011218427_100009872056 [0,0,0,0,0,1|1,0,2]=4 403 B11R1.90 Cc1oncc1SC[C@@H](C)O 62a_100009817552_100009872056 [0,0,0,0,0,1|1,0,2]=4 404 B11R1.90 Cc1oncc1SC[C@@H](C)O 62a_100009872056_100009817552 [0,0,0,0,0,1|1,0,2]=4 405 B11R1.90 Cc1oncc1SC[N+](=O)[O-] 62a_100009872056_100000761209 [0,0,0,0,0,1|3,0,0]=4 406 B11R1.90 Cc1sccc1SCC(=O)N 62a_100000684487_100000747473 [0,0,0,0,0,1|1,1,0]=3 407 B11R1.90 Cc1sccc1SCC(=O)N 62a_100000747473_100000684487 [0,0,0,0,0,1|1,1,0]=3 408 B11R1.90 Cc1sccc1SCC(=O)[O-] 62a_100000684487_100020667443 [0,0,0,0,0,1|1,1,0]=3 409 B11R1.90 Cc1sccc1SCC(=O)[O-] 62a_100020667443_100000684487 [0,0,0,0,0,1|1,1,0]=3 410 B11R1.90 Cc1sccc1SCC(C)C 62a_100000210624_100000684487 [0,0,0,0,0,1|1,1,1]=4 411 B11R1.90 Cc1sccc1SCC(C)C 62a_100000684487_100000210760 [0,0,0,0,0,1|1,1,1]=4 412 B11R1.90 Cc1sccc1SCC(C)O 62a_100000684487_100011218427 [0,0,0,0,0,1|0,1,2]=4 413 B11R1.90 Cc1sccc1SCC(C)O 62a_100011218427_100000684487 [0,0,0,0,0,1|0,1,2]=4 414 B11R1.90 Cc1sccc1SC[C@@H](C)O 62a_100000684487_100009817552 [0,0,0,0,0,1|0,1,2]=4 415 B11R1.90 Cc1sccc1SC[C@@H](C)O 62a_100009817552_100000684487 [0,0,0,0,0,1|0,1,2]=4 416 B11R1.90 Cc1sccc1SC[N+](=O)[O-] 62a_100000684487_100000761209 [0,0,0,0,0,1|2,1,0]=4 417 B11R1.90 Cc1scnc1SCC(=O)N 62a_100000732656_100000747473 [0,0,0,0,0,1|2,1,0]=4 418 B11R1.90 Cc1scnc1SCC(=O)N 62a_100000747473_100000732656 [0,0,0,0,0,1|2,1,0]=4 419 B11R1.90 Cc1scnc1SCC(=O)[O-] 62a_100000732656_100020667443 [0,0,0,0,0,1|2,1,0]=4 420 B11R1.90 Cc1scnc1SCC(=O)[O-] 62a_100020667443_100000732656 [0,0,0,0,0,1|2,1,0]=4 421 B11R1.90 Cn1nccc1C=CC(=O)[13CH3] 1458a_100102528386_200025704644 [0,0,0,0,0,1|3,0,0]=4 422 B11R1.90 Cn1nccc1CCC(=O)[13CH3] 1458a_100000763893_200025704644 [0,0,0,0,0,1|3,0,0]=4 423 B11R1.90 Cn1nccc1SCC(=O)N 62a_100000688441_100000747473 [0,0,0,0,0,1|3,0,0]=4 424 B11R1.90 Cn1nccc1SCC(=O)N 62a_100000747473_100000688441 [0,0,0,0,0,1|3,0,0]=4 425 B11R1.90 Cn1nccc1SCC(=O)[O-] 62a_100000688441_100020667443 [0,0,0,0,0,1|3,0,0]=4 426 B11R1.90 Cn1nccc1SCC(=O)[O-] 62a_100020667443_100000688441 [0,0,0,0,0,1|3,0,0]=4 427 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,0,0,0,0,1|3,0,0]=4 428 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [0,0,0,0,0,1|3,0,0]=4 429 B11R1.157 CC(=Cc1ccnc(c1)C)C 271570a_100102525489_100000758586 [0,0,0,0,0,1|3,0,0]=4 430 B11R1.157 CC(=Cc1ccnc(n1)C)C 271570a_100102525489_100000749937 [0,0,0,0,0,1|3,0,0]=4 431 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,0,0,0,0,1|3,0,0]=4 432 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,0,0,0,0,1|3,0,0]=4 433 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,0,0,0,0,1|3,0,0]=4 434 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,0,0,0,0,1|2,0,0]=3 435 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,0,0,0,0,1|2,0,0]=3 436 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,0,0,0,0,1|3,0,0]=4 437 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,0,0,0,0,1|3,0,0]=4 438 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,0,0,0,0,1|3,0,0]=4 439 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,0,0,0,0,1|3,0,0]=4 440 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,0,0,0,0,1|3,0,0]=4 441 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,0,0,0,0,1|3,0,0]=4 442 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,0,0,0,0,1|3,0,0]=4 443 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,0,0,0,0,1|3,0,0]=4 444 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,0,0,0,0,1|3,0,0]=4 445 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,0,0,0,0,1|3,0,0]=4 446 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,0,0,0,0,1|3,0,0]=4 447 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,0,0,0,0,1|2,0,0]=3 448 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,0,0,0,0,1|2,0,0]=3 449 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,0,0,0,0,1|3,0,0]=4 450 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,0,0,0,0,1|3,0,0]=4 451 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,0,0,0,0,1|3,0,0]=4 452 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,0,0,0,0,1|3,0,0]=4 453 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [0,0,0,0,0,1|3,0,0]=4 454 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [0,0,0,0,0,1|3,0,0]=4 455 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,0,0,0,0,1|2,0,0]=3 456 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,0,0,0,0,1|3,0,0]=4 457 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [0,0,0,0,0,1|3,0,0]=4 458 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,0,0,0,0,1|3,0,0]=4 459 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,0,0,0,0,1|3,0,0]=4 460 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,0,0,0,0,1|3,0,0]=4 461 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,0,0,0,0,1|3,0,0]=4 462 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,0,0,0,0,1|3,0,0]=4 463 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,0,0,0,0,1|2,0,0]=3 464 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,0,0,0,0,1|2,0,0]=3 465 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,0,0,0,0,1|2,0,0]=3 466 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,0,0,0,0,1|2,0,0]=3 467 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,0,0,0,0,1|3,0,0]=4 468 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,0,0,0,0,1|3,0,0]=4 469 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,0,0,0,0,1|3,0,0]=4 470 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,0,0,0,0,1|3,0,0]=4 471 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,0,0,0,0,1|3,0,0]=4 472 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,0,0,0,0,1|3,0,0]=4 473 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,0,0,0,0,1|3,0,0]=4 474 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,0,0,0,0,1|3,0,0]=4 475 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,0,0,0,0,1|3,0,0]=4 476 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,0,0,0,0,1|3,0,0]=4 477 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,0,0,0,0,1|3,0,0]=4 478 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,0,0,0,0,1|3,0,0]=4 479 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,0,0,0,0,1|3,0,0]=4 480 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,0,0,0,0,1|3,0,0]=4 481 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,0,0,0,0,1|3,0,0]=4 482 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,0,0,0,0,1|3,0,0]=4 483 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [0,0,0,0,0,1|3,0,0]=4 484 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,0,0,0,0,1|2,1,0]=4 485 B11R1.157 Cc1cc(ccn1)SC(C)C 62a_100000210206_100000758586 [0,0,0,0,0,1|2,0,1]=4 486 B11R1.157 Cc1cc(ccn1)SC(C)C 62a_100000758586_100000210206 [0,0,0,0,0,1|2,0,1]=4 487 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,0,0,0,0,1|2,0,0]=3 488 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100000210206_100011215228 [0,0,0,0,0,1|2,0,1]=4 489 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100011215228_100000210206 [0,0,0,0,0,1|2,0,1]=4 490 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,0,0,0,0,1|2,0,0]=3 491 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000210206_100000742759 [0,0,0,0,0,1|2,0,1]=4 492 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000742759_100000210206 [0,0,0,0,0,1|2,0,1]=4 493 B11R1.157 Cc1nccc(n1)SC(C)C 62a_100000210206_100000749937 [0,0,0,0,0,1|2,0,1]=4 494 B11R1.157 Cc1nccc(n1)SC(C)C 62a_100000749937_100000210206 [0,0,0,0,0,1|2,0,1]=4 495 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,0,0,0,0,1|3,0,0]=4 496 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,0,0,0,0,1|3,0,0]=4 497 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,0,0,0,0,1|3,0,0]=4 498 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,0,0,0,0,1|3,0,0]=4 499 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,0,0,0,0,1|3,0,0]=4 500 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,0,0,0,0,1|3,0,0]=4 501 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,0,0,0,0,1|3,0,0]=4 502 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,0,0,0,0,1|3,0,0]=4 503 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [0,0,0,0,0,1|3,0,0]=4 504 B8R0.9 C=CC(=NNC(=O)C)C 4a_100000189765_200015361842 [1,0,1,0,0,0|2,0,0]=4 505 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [1,0,1,0,0,0|1,0,1]=4 506 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [1,0,1,0,0,0|1,0,1]=4 507 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [2,0,0,0,0,0|1,0,0]=3 508 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [2,0,0,0,0,0|1,1,0]=4 509 B8R1.8 CC=Cc1cnoc1 271570a_100016259895_100009815712 [2,0,0,0,0,0|2,0,0]=4 510 B8R1.8 CCSc1ccoc1 62a_100000210202_100011215275 [2,0,0,0,0,0|0,0,1]=3 511 B8R1.8 CCSc1ccoc1 62a_100011215275_100000210202 [2,0,0,0,0,0|0,0,1]=3 512 B8R1.8 CCSc1ccon1 62a_100000210202_100009818083 [2,0,0,0,0,0|1,0,1]=4 513 B8R1.8 CCSc1ccon1 62a_100009818083_100000210202 [2,0,0,0,0,0|1,0,1]=4 514 B8R1.8 CCSc1ccsc1 62a_100000210202_100000738268 [2,0,0,0,0,0|0,1,1]=4 515 B8R1.8 CCSc1ccsc1 62a_100000738268_100000210202 [2,0,0,0,0,0|0,1,1]=4 516 B8R1.8 CCSc1cnoc1 62a_100000210202_100009815712 [2,0,0,0,0,0|1,0,1]=4 517 B8R1.8 CCSc1cnoc1 62a_100009815712_100000210202 [2,0,0,0,0,0|1,0,1]=4 518 B8R1.8 CNCc1ccoc1 207a_100102657272_100011215517 [2,0,0,0,0,0|2,0,0]=4 519 B8R1.8 CNCc1ccoc1 2230a_100015206860_200000210301 [2,0,0,0,0,0|2,0,0]=4 520 B8R1.8 CNCc1ccoc1 270004a_106832991635_100011215517 [2,0,0,0,0,0|2,0,0]=4 521 B8R1.8 CNCc1ccoc1 34a_100015206860_200000210301 [2,0,0,0,0,0|2,0,0]=4 522 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [2,0,0,0,0,0|2,0,0]=4 523 B8R1.8 FCSc1ccoc1 62a_100011215275_100015361967 [2,0,0,0,0,0|1,0,1]=4 524 B8R1.8 FCSc1ccoc1 62a_100015361967_100011215275 [2,0,0,0,0,0|1,0,1]=4 525 B8R1.8 [13CH3]NCc1ccoc1 2230a_100015206860_200025704644 [2,0,0,0,0,0|2,0,0]=4 526 B8R1.8 [13CH3]NCc1ccoc1 34a_100015206860_200025704644 [2,0,0,0,0,0|2,0,0]=4 527 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [2,0,0,0,0,0|2,0,0]=4 528 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [2,0,0,0,0,0|0,1,1]=4 529 B8R1.11 C=Cc1cnoc1C 271570a_100011290941_100009872056 [2,0,0,0,0,0|1,0,1]=4 530 B8R1.11 CSc1c[nH]nc1C 62a_100000692133_200000210301 [2,0,0,0,0,0|2,0,0]=4 531 B8R1.11 CSc1c[nH]nc1C 62a_200000210301_100000692133 [2,0,0,0,0,0|2,0,0]=4 532 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [2,0,0,0,0,0|2,0,0]=4 533 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [2,0,0,0,0,0|2,0,0]=4 534 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [2,0,0,0,0,0|0,1,0]=3 535 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [2,0,0,0,0,0|0,1,0]=3 536 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [2,0,0,0,0,0|1,0,0]=3 537 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [2,0,0,0,0,0|1,0,0]=3 538 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [2,0,0,0,0,0|2,0,0]=4 539 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [2,0,0,0,0,0|2,0,0]=4 540 B8R1.11 CSc1nc[nH]c1C 62a_100010186451_200000210301 [2,0,0,0,0,0|2,0,0]=4 541 B8R1.11 CSc1nc[nH]c1C 62a_200000210301_100010186451 [2,0,0,0,0,0|2,0,0]=4 542 B8R1.11 CSc1ncsc1C 62a_100000732656_200000210301 [2,0,0,0,0,0|1,1,0]=4 543 B8R1.11 CSc1ncsc1C 62a_200000210301_100000732656 [2,0,0,0,0,0|1,1,0]=4 544 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [2,0,0,0,0,0|2,0,0]=4 545 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [2,0,0,0,0,0|2,0,0]=4 546 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [2,0,0,0,0,0|2,0,0]=4 547 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [2,0,0,0,0,0|2,0,0]=4 548 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_100010186451_200025704644 [2,0,0,0,0,0|2,0,0]=4 549 B8R1.11 Cc1[nH]cnc1S[13CH3] 62a_200025704644_100010186451 [2,0,0,0,0,0|2,0,0]=4 550 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [2,0,0,0,0,0|2,0,0]=4 551 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [2,0,0,0,0,0|2,0,0]=4 552 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [2,0,0,0,0,0|2,0,0]=4 553 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [2,0,0,0,0,0|2,0,0]=4 554 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_100000692133_200025704644 [2,0,0,0,0,0|2,0,0]=4 555 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_200025704644_100000692133 [2,0,0,0,0,0|2,0,0]=4 556 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [2,0,0,0,0,0|2,0,0]=4 557 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [2,0,0,0,0,0|2,0,0]=4 558 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [2,0,0,0,0,0|1,0,0]=3 559 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [2,0,0,0,0,0|1,0,0]=3 560 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [2,0,0,0,0,0|0,1,0]=3 561 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [2,0,0,0,0,0|0,1,0]=3 562 B8R1.11 Cc1scnc1S[13CH3] 62a_100000732656_200025704644 [2,0,0,0,0,0|1,1,0]=4 563 B8R1.11 Cc1scnc1S[13CH3] 62a_200025704644_100000732656 [2,0,0,0,0,0|1,1,0]=4 564 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [2,0,0,0,0,0|2,0,0]=4 565 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [2,0,0,0,0,0|2,0,0]=4 566 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [2,0,0,0,0,0|1,1,0]=4 567 B10R0.4 CC=CC=CC=NNC(=O)C 4a_100000189765_100000691131 [0,1,1,0,0,0|2,0,0]=4 568 B10R1.23 CC(=C(C)c1ccoc1)C 271570a_200000049429_100011215275 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.27 C#CC(C)Sc1ccoc1 62a_200000035995_100011215275 [1,1,0,0,0,0|1,0,1]=4 570 B10R1.27 C=CC(C)Sc1ccoc1 62a_100011215867_100011215275 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.27 CC(C#N)Sc1ccoc1 62a_100000703298_100011215275 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.27 CC(C#N)Sc1ccoc1 62a_100011215275_100000703298 [1,1,0,0,0,0|1,0,1]=4 573 B10R1.27 CC(CO)Sc1ccoc1 62a_100012180447_100011215275 [1,1,0,0,0,0|0,0,2]=4 574 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [1,1,0,0,0,0|1,1,0]=4 577 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [1,1,0,0,0,0|1,1,0]=4 578 B10R1.27 CCC(C)Sc1ccoc1 62a_100000758301_100011215275 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.27 CCC(C)Sc1ccoc1 62a_100011215275_100000758301 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [1,1,0,0,0,0|1,0,0]=3 581 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [1,1,0,0,0,0|1,0,0]=3 582 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [1,1,0,0,0,0|1,1,0]=4 585 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [1,1,0,0,0,0|1,1,0]=4 586 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [1,1,0,0,0,0|1,1,0]=4 587 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [1,1,0,0,0,0|1,1,0]=4 588 B10R1.27 COC(C)Sc1ccoc1 62a_100009879195_100011215275 [1,1,0,0,0,0|0,0,2]=4 589 B10R1.27 COC(C)Sc1ccoc1 62a_100011215275_100009879195 [1,1,0,0,0,0|0,0,2]=4 590 B10R1.27 C[C@H](CO)Sc1ccoc1 62a_100011215275_100016084084 [1,1,0,0,0,0|0,0,2]=4 591 B10R1.27 C[C@H](CO)Sc1ccoc1 62a_100016084084_100011215275 [1,1,0,0,0,0|0,0,2]=4 592 B10R1.27 O=C(CF)Cc1ccoc1 1458a_100000684892_100015361967 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.27 O=C(CF)Cc1ccsc1 1458a_100000184062_100015361967 [1,1,0,0,0,0|1,1,0]=4 594 B10R1.27 O=C(CO)Cc1ccon1 1458a_100000210174_100000234950 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [1,1,0,0,0,0|1,1,0]=4 596 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.281 CC(C)(C)Sc1ccoc1 62a_100000211941_100011215275 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.281 CC(C)(C)Sc1ccoc1 62a_100011215275_100000211941 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.5 CC=Cc1ccoc1C=O 271570a_100016259895_100000756499 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.5 CC=Cc1ccsc1CO 271570a_100016259895_100000702026 [1,1,0,0,0,0|1,1,0]=4 601 B10R1.5 CC=Cc1ccsc1SC 271570a_100016259895_200010341309 [1,1,0,0,0,0|1,1,0]=4 602 B10R1.5 CCSc1ccoc1C=O 62a_100000210202_100000756499 [1,1,0,0,0,0|0,0,2]=4 603 B10R1.5 CCSc1ccoc1C=O 62a_100000756499_100000210202 [1,1,0,0,0,0|0,0,2]=4 604 B10R1.5 CCSc1ccsc1CO 62a_100000210202_100000702026 [1,1,0,0,0,0|0,1,1]=4 605 B10R1.5 CCSc1ccsc1CO 62a_100000702026_100000210202 [1,1,0,0,0,0|0,1,1]=4 606 B10R1.5 CCSc1ccsc1SC 62a_100000210202_200010341309 [1,1,0,0,0,0|0,1,1]=4 607 B10R1.5 CCSc1ccsc1SC 62a_200010341309_100000210202 [1,1,0,0,0,0|0,1,1]=4 608 B10R1.29 C=CCSc1ccsc1C 62a_100000210623_100000684487 [1,1,0,0,0,0|0,1,1]=4 609 B10R1.29 C=CCSc1ccsc1C 62a_100000684487_100000210623 [1,1,0,0,0,0|0,1,1]=4 610 B10R1.29 C=CCSc1cnoc1C 62a_100000210623_100009872056 [1,1,0,0,0,0|1,0,1]=4 611 B10R1.29 C=CCSc1cnoc1C 62a_100009872056_100000210623 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.29 CCCSc1ccsc1C 62a_100000210303_100000684487 [1,1,0,0,0,0|0,1,1]=4 613 B10R1.29 CCCSc1ccsc1C 62a_100000684487_100000210303 [1,1,0,0,0,0|0,1,1]=4 614 B10R1.29 CCCSc1cnoc1C 62a_100000210303_100009872056 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.29 CCCSc1cnoc1C 62a_100009872056_100000210303 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.29 CCOCc1ccoc1C 34a_100011219433_100000210202 [1,1,0,0,0,0|0,1,1]=4 617 B10R1.29 CCOCc1ccoc1C 7a_100011219433_100000210202 [1,1,0,0,0,0|0,1,1]=4 618 B10R1.29 CCSCc1ncoc1C 62a_100000210202_200000693990 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.29 CCSCc1ncoc1C 62a_200000693990_100000210202 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.29 COCSc1ccsc1C 62a_100000684487_100000766300 [1,1,0,0,0,0|0,1,1]=4 621 B10R1.29 COCSc1ccsc1C 62a_100000766300_100000684487 [1,1,0,0,0,0|0,1,1]=4 622 B10R1.29 COCSc1cnoc1C 62a_100000766300_100009872056 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.29 COCSc1cnoc1C 62a_100009872056_100000766300 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.29 CSCSc1ccsc1C 62a_100000684487_100011218213 [1,1,0,0,0,0|0,1,1]=4 625 B10R1.29 CSCSc1ccsc1C 62a_100011218213_100000684487 [1,1,0,0,0,0|0,1,1]=4 626 B10R1.29 CSCSc1cnoc1C 62a_100009872056_100011218213 [1,1,0,0,0,0|1,0,1]=4 627 B10R1.29 CSCSc1cnoc1C 62a_100011218213_100009872056 [1,1,0,0,0,0|1,0,1]=4 628 B10R1.29 Cc1[nH]cnc1SCC=O 62a_100010186451_200015260668 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.29 Cc1[nH]cnc1SCC=O 62a_200015260668_100010186451 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.29 Cc1ccsc1SCC=O 62a_100010247149_200015260668 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.29 Cc1ccsc1SCC=O 62a_200015260668_100010247149 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.29 Cc1cscc1SCC=O 62a_100000759966_200015260668 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.29 Cc1cscc1SCC=O 62a_200015260668_100000759966 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.29 Cc1n[nH]cc1SCC=O 62a_100000692133_200015260668 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.29 Cc1n[nH]cc1SCC=O 62a_200015260668_100000692133 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.29 Cc1ncsc1SCC=O 62a_100009817116_200015260668 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.29 Cc1ncsc1SCC=O 62a_200015260668_100009817116 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.29 Cc1occc1COCF 34a_100011219433_100015361967 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.29 Cc1occc1COCF 7a_100011219433_100015361967 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.29 Cc1oncc1SCC=O 62a_100009872056_200015260668 [1,1,0,0,0,0|1,0,0]=3 641 B10R1.29 Cc1oncc1SCC=O 62a_200015260668_100009872056 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.29 Cc1oncc1SCCF 62a_100009872056_100011217306 [1,1,0,0,0,0|1,0,1]=4 643 B10R1.29 Cc1oncc1SCCF 62a_100011217306_100009872056 [1,1,0,0,0,0|1,0,1]=4 644 B10R1.29 Cc1oncc1SCCO 62a_100000211926_100009872056 [1,1,0,0,0,0|1,0,1]=4 645 B10R1.29 Cc1oncc1SCCO 62a_100009872056_100000211926 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.29 Cc1sccc1SCC=O 62a_100000684487_200015260668 [1,1,0,0,0,0|0,1,0]=3 647 B10R1.29 Cc1sccc1SCC=O 62a_200015260668_100000684487 [1,1,0,0,0,0|0,1,0]=3 648 B10R1.29 Cc1sccc1SCCF 62a_100000684487_100011217306 [1,1,0,0,0,0|0,1,1]=4 649 B10R1.29 Cc1sccc1SCCF 62a_100011217306_100000684487 [1,1,0,0,0,0|0,1,1]=4 650 B10R1.29 Cc1sccc1SCCO 62a_100000211926_100000684487 [1,1,0,0,0,0|0,1,1]=4 651 B10R1.29 Cc1sccc1SCCO 62a_100000684487_100000211926 [1,1,0,0,0,0|0,1,1]=4 652 B10R1.29 Cc1scnc1SCC=O 62a_100000732656_200015260668 [1,1,0,0,0,0|1,1,0]=4 653 B10R1.29 Cc1scnc1SCC=O 62a_200015260668_100000732656 [1,1,0,0,0,0|1,1,0]=4 654 B10R1.29 Cn1nccc1SCC=O 62a_100000688441_200015260668 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.29 Cn1nccc1SCC=O 62a_200015260668_100000688441 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.130 CC=Cc1cc(sc1C)C 271570a_100016259895_100000688054 [1,1,0,0,0,0|1,1,0]=4 657 B10R1.130 CCSc1cc(sc1C)C 62a_100000210202_100000688054 [1,1,0,0,0,0|0,1,1]=4 658 B10R1.130 CCSc1cc(sc1C)C 62a_100000688054_100000210202 [1,1,0,0,0,0|0,1,1]=4 659 B10R1.130 COCc1cc(oc1C)C 34a_100000688432_200000210301 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.130 COCc1cc(oc1C)C 7a_100000688432_200000210301 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 34a_100000688432_200025704644 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 7a_100000688432_200025704644 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.187 CC=Cc1c(noc1C)C 271570a_100016259895_100000694658 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.187 CC=Cc1c(noc1C)N 271570a_100016259895_100011216220 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.187 CC=Cc1c(noc1C)O 271570a_100016259895_100010730664 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.187 CCSc1c(noc1C)C 62a_100000210202_100000694658 [1,1,0,0,0,0|1,0,1]=4 667 B10R1.187 CCSc1c(noc1C)C 62a_100000694658_100000210202 [1,1,0,0,0,0|1,0,1]=4 668 B10R1.187 CCSc1c(noc1C)N 62a_100000210202_100011216220 [1,1,0,0,0,0|1,0,1]=4 669 B10R1.187 CCSc1c(noc1C)N 62a_100011216220_100000210202 [1,1,0,0,0,0|1,0,1]=4 670 B10R1.187 CCSc1c(noc1C)O 62a_100000210202_100010730664 [1,1,0,0,0,0|1,0,1]=4 671 B10R1.187 CCSc1c(noc1C)O 62a_100010730664_100000210202 [1,1,0,0,0,0|1,0,1]=4 672 B10R1.39 C=C(C)c1ccoc1C=O 271570a_100000694244_100000756499 [0,1,0,0,1,0|1,0,1]=4 673 B10R1.39 C=C(C)c1ccsc1CO 271570a_100000694244_100000702026 [0,1,0,0,1,0|1,1,0]=4 674 B10R1.39 C=C(C)c1ccsc1SC 271570a_100000694244_200010341309 [0,1,0,0,1,0|1,1,0]=4 675 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,1,0,0,1,0|2,0,0]=4 676 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200010339033_200025704644 [0,1,0,0,1,0|2,0,0]=4 677 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200025704644_200010339033 [0,1,0,0,1,0|2,0,0]=4 678 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,1,0,0,1,0|2,0,0]=4 679 B10R1.39 CSc1ncsc1C(=O)C 62a_200000210301_200010339033 [0,1,0,0,1,0|2,0,0]=4 680 B10R1.39 CSc1ncsc1C(=O)C 62a_200010339033_200000210301 [0,1,0,0,1,0|2,0,0]=4 681 B10R1.59 C=C(C)c1cc(sc1C)C 271570a_100000694244_100000688054 [0,1,0,0,1,0|1,1,0]=4 682 B10R1.59 CC(=O)c1sc(nc1C)O 271570a_203496583355_100010106820 [0,1,0,0,1,0|2,0,0]=4 683 B10R1.192 C=C(C)c1c(noc1C)C 271570a_100000694244_100000694658 [0,1,0,0,1,0|2,0,0]=4 684 B10R1.192 C=C(C)c1c(noc1C)N 271570a_100000694244_100011216220 [0,1,0,0,1,0|2,0,0]=4 685 B10R1.192 C=C(C)c1c(noc1C)O 271570a_100000694244_100010730664 [0,1,0,0,1,0|2,0,0]=4 686 B10R1.192 CC(=O)c1c(cnn1C)O 271570a_203496583355_100012349272 [0,1,0,0,1,0|2,0,0]=4 687 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,1,0,0,1,0|2,0,0]=4 688 B12R1.75 CC(=O)Cc1ccccc1CO 1458a_100000070787_100009816955 [0,1,0,0,0,1|2,0,0]=4 689 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_100011350739_200025704644 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.75 CC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_100011350739 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.75 CC(=O)Nc1ccccc1CO 22a_100000212039_100000070787 [0,1,0,0,0,1|2,0,0]=4 692 B12R1.75 CC(=O)Nc1ccccc1N[13CH3] 34a_100011193560_200025704644 [0,1,0,0,0,1|2,0,0]=4 693 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 34a_100000185124_200025704644 [0,1,0,0,0,1|2,0,0]=4 694 B12R1.75 CC(=O)Nc1ccccc1O[13CH3] 7a_100000185124_200025704644 [0,1,0,0,0,1|2,0,0]=4 695 B12R1.75 CC(=O)Nc1ccccc1S[13CH3] 62a_200025704644_100000153524 [0,1,0,0,0,1|2,0,0]=4 696 B12R1.75 CC(=O)Nc1ccncc1S[13CH3] 62a_200025704644_100016132053 [0,1,0,0,0,1|2,0,0]=4 697 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 34a_200000022013_200025704644 [0,1,0,0,0,1|2,0,0]=4 698 B12R1.75 CC(=O)Nc1ncccc1O[13CH3] 7a_200000022013_200025704644 [0,1,0,0,0,1|2,0,0]=4 699 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_100000051690_200025704644 [0,1,0,0,0,1|1,1,0]=4 700 B12R1.75 CC(=O)Oc1ccccc1S[13CH3] 62a_200025704644_100000051690 [0,1,0,0,0,1|1,1,0]=4 701 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200009815371_200025704644 [0,1,0,0,0,1|1,1,0]=4 702 B12R1.75 CC(=O)Oc1cccnc1S[13CH3] 62a_200025704644_200009815371 [0,1,0,0,0,1|1,1,0]=4 703 B12R1.75 CCc1ccccc1NC(=O)C 11a_100000212081_100015343762 [0,1,0,0,0,1|2,0,0]=4 704 B12R1.75 CCc1ccccc1NC(=O)C 1626a_100000212081_100015343762 [0,1,0,0,0,1|2,0,0]=4 705 B12R1.75 CCc1ccccc1NC(=O)C 22a_100000212081_100000070787 [0,1,0,0,0,1|2,0,0]=4 706 B12R1.75 CCc1ccccc1NC(=O)C 527a_100000212081_100103153847 [0,1,0,0,0,1|2,0,0]=4 707 B12R1.75 CNc1ccccc1NC(=O)C 34a_100011193560_200000210301 [0,1,0,0,0,1|2,0,0]=4 708 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000070787_100000210004 [0,1,0,0,0,1|2,0,0]=4 709 B12R1.75 COc1ccccc1CC(=O)C 1458a_100000211604_200000210301 [0,1,0,0,0,1|2,0,0]=4 710 B12R1.75 COc1ccccc1CC(=O)[13CH3] 1458a_100000211604_200025704644 [0,1,0,0,0,1|2,0,0]=4 711 B12R1.75 COc1ccccc1NC(=O)C 11a_100000210025_100015343762 [0,1,0,0,0,1|2,0,0]=4 712 B12R1.75 COc1ccccc1NC(=O)C 1626a_100000210025_100015343762 [0,1,0,0,0,1|2,0,0]=4 713 B12R1.75 COc1ccccc1NC(=O)C 22a_100000210025_100000070787 [0,1,0,0,0,1|2,0,0]=4 714 B12R1.75 COc1ccccc1NC(=O)C 34a_100000185124_200000210301 [0,1,0,0,0,1|2,0,0]=4 715 B12R1.75 COc1ccccc1NC(=O)C 527a_100000210025_100103153847 [0,1,0,0,0,1|2,0,0]=4 716 B12R1.75 COc1ccccc1NC(=O)C 7a_100000185124_200000210301 [0,1,0,0,0,1|2,0,0]=4 717 B12R1.75 COc1cccnc1NC(=O)C 34a_200000022013_200000210301 [0,1,0,0,0,1|2,0,0]=4 718 B12R1.75 COc1cccnc1NC(=O)C 7a_200000022013_200000210301 [0,1,0,0,0,1|2,0,0]=4 719 B12R1.75 COc1cnccc1CC(=O)C 1458a_100000070787_100020635607 [0,1,0,0,0,1|2,0,0]=4 720 B12R1.75 COc1ncccc1CC(=O)C 1458a_100000070787_100020631285 [0,1,0,0,0,1|2,0,0]=4 721 B12R1.75 CSc1ccccc1CC(=O)C 1458a_100000070787_100000699184 [0,1,0,0,0,1|2,0,0]=4 722 B12R1.75 CSc1ccccc1CC(=O)C 62a_100011350739_200000210301 [0,1,0,0,0,1|2,0,0]=4 723 B12R1.75 CSc1ccccc1CC(=O)C 62a_200000210301_100011350739 [0,1,0,0,0,1|2,0,0]=4 724 B12R1.75 CSc1ccccc1NC(=O)C 11a_100000211160_100015343762 [0,1,0,0,0,1|2,0,0]=4 725 B12R1.75 CSc1ccccc1NC(=O)C 22a_100000211160_100000070787 [0,1,0,0,0,1|2,0,0]=4 726 B12R1.75 CSc1ccccc1NC(=O)C 62a_200000210301_100000153524 [0,1,0,0,0,1|2,0,0]=4 727 B12R1.75 CSc1ccccc1OC(=O)C 62a_100000051690_200000210301 [0,1,0,0,0,1|1,1,0]=4 728 B12R1.75 CSc1ccccc1OC(=O)C 62a_200000210301_100000051690 [0,1,0,0,0,1|1,1,0]=4 729 B12R1.75 CSc1cnccc1NC(=O)C 62a_200000210301_100016132053 [0,1,0,0,0,1|2,0,0]=4 730 B12R1.75 CSc1ncccc1OC(=O)C 62a_200000210301_200009815371 [0,1,0,0,0,1|1,1,0]=4 731 B12R1.75 CSc1ncccc1OC(=O)C 62a_200009815371_200000210301 [0,1,0,0,0,1|1,1,0]=4 732 B12R1.124 CC(=O)N(C)c1ccccc1C 11a_100000219699_100015343762 [0,1,0,0,0,1|2,0,0]=4 733 B12R1.124 CC(=O)N(C)c1ccccc1C 1626a_100000219699_100015343762 [0,1,0,0,0,1|2,0,0]=4 734 B12R1.124 CC(=O)N(C)c1ccccc1C 22a_100000219699_100000070787 [0,1,0,0,0,1|2,0,0]=4 735 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,1,0,0,0,1|2,0,0]=4 736 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,1,0,0,0,1|2,0,0]=4 737 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,1,0,0,0,1|2,0,0]=4 738 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,1,0,0,0,1|2,0,0]=4 739 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,1,0,0,0,1|2,0,0]=4 740 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,1,0,0,0,1|2,0,0]=4 741 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [0,1,0,0,0,1|2,0,0]=4 742 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [0,1,0,0,0,1|2,0,0]=4 743 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [0,1,0,0,0,1|2,0,0]=4 744 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [0,1,0,0,0,1|2,0,0]=4 745 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 746 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 747 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,1,0,0,0,1|2,0,0]=4 748 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [0,1,0,0,0,1|2,0,0]=4 749 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [0,1,0,0,0,1|2,0,0]=4 750 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [0,1,0,0,0,1|2,0,0]=4 751 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [0,1,0,0,0,1|2,0,0]=4 752 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [0,1,0,0,0,1|2,0,0]=4 753 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [0,1,0,0,0,1|2,0,0]=4 754 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [0,1,0,0,0,1|2,0,0]=4 755 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [0,1,0,0,0,1|2,0,0]=4 756 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [0,1,0,0,0,1|2,0,0]=4 757 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [0,1,0,0,0,1|2,0,0]=4 758 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [0,1,0,0,0,1|2,0,0]=4 759 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,1,0,0,0,1|2,0,0]=4 760 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,1,0,0,0,1|2,0,0]=4 761 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,1,0,0,0,1|2,0,0]=4 762 B12R1.127 CC(=O)Nc1cc(cnc1C)O 271570a_203496583355_100010117071 [0,1,0,0,0,1|2,0,0]=4 763 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,1,0,0,0,1|1,1,0]=4 764 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,1,0,0,0,1|2,0,0]=4 765 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,1,0,0,0,1|2,0,0]=4 766 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,1,0,0,0,1|2,0,0]=4 767 B12R1.224 CC(=O)Cc1cccc(c1C)Br 1458a_100000070787_100000694682 [0,1,0,0,0,1|2,0,0]=4 768 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [0,1,0,0,0,1|2,0,0]=4 769 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [0,1,0,0,0,1|2,0,0]=4 770 B12R1.224 CC(=O)Cc1cccc(c1C)Cl 1458a_100000070787_100012186920 [0,1,0,0,0,1|2,0,0]=4 771 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000035905_200000210301 [0,1,0,0,0,1|2,0,0]=4 772 B12R1.224 CC(=O)Cc1cccc(c1C)F 1458a_100000070787_100009813626 [0,1,0,0,0,1|2,0,0]=4 773 B12R1.224 CC(=O)Cc1cccc(c1C)I 1458a_100000070787_100010150147 [0,1,0,0,0,1|2,0,0]=4 774 B12R1.224 CC(=O)Cc1nccc(c1C)Cl 1458a_100000070787_100020614443 [0,1,0,0,0,1|2,0,0]=4 775 B12R1.224 CC(=O)Nc1cccc(c1C)Br 11a_100000750434_100015343762 [0,1,0,0,0,1|2,0,0]=4 776 B12R1.224 CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100015343762 [0,1,0,0,0,1|2,0,0]=4 777 B12R1.224 CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000070787 [0,1,0,0,0,1|2,0,0]=4 778 B12R1.224 CC(=O)Nc1cccc(c1C)Br 527a_100000750434_100103153847 [0,1,0,0,0,1|2,0,0]=4 779 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 780 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 781 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,1,0,0,0,1|2,0,0]=4 782 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,1,0,0,0,1|2,0,0]=4 783 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 11a_100000210441_100015343762 [0,1,0,0,0,1|2,0,0]=4 784 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100015343762 [0,1,0,0,0,1|2,0,0]=4 785 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000070787 [0,1,0,0,0,1|2,0,0]=4 786 B12R1.224 CC(=O)Nc1cccc(c1C)Cl 527a_100000210441_100103153847 [0,1,0,0,0,1|2,0,0]=4 787 B12R1.224 CC(=O)Nc1cccc(c1C)F 11a_100000745574_100015343762 [0,1,0,0,0,1|2,0,0]=4 788 B12R1.224 CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100015343762 [0,1,0,0,0,1|2,0,0]=4 789 B12R1.224 CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000070787 [0,1,0,0,0,1|2,0,0]=4 790 B12R1.224 CC(=O)Nc1cccc(c1C)F 527a_100000745574_100103153847 [0,1,0,0,0,1|2,0,0]=4 791 B12R1.224 CC(=O)Nc1cccc(c1C)I 11a_100000761887_100015343762 [0,1,0,0,0,1|2,0,0]=4 792 B12R1.224 CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100015343762 [0,1,0,0,0,1|2,0,0]=4 793 B12R1.224 CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000070787 [0,1,0,0,0,1|2,0,0]=4 794 B12R1.224 CC(=O)Nc1cccc(c1C)I 527a_100000761887_100103153847 [0,1,0,0,0,1|2,0,0]=4 795 B12R1.224 CC(=O)Nc1cccc(c1C)O 11a_100011216573_100015343762 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.224 CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000070787 [0,1,0,0,0,1|2,0,0]=4 797 B12R1.224 CC(=O)Nc1cccc(c1C)O 527a_100011216573_100103153847 [0,1,0,0,0,1|2,0,0]=4 798 B12R1.224 Cc1c(cccc1CC(=O)[13CH3])F 1458a_100000035905_200025704644 [0,1,0,0,0,1|2,0,0]=4 799 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,1,0,0,0,1|2,0,0]=4 801 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,1,0,0,0,1|2,0,0]=4 802 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,1,0,0,0,1|2,0,0]=4 805 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,1,0,0,0,1|2,0,0]=4 806 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,1,0,0,0,1|2,0,0]=4 807 B12R1.233 CC(=O)Cc1cnc(cc1C)F 1458a_100000070787_100010382440 [0,1,0,0,0,1|2,0,0]=4 808 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,1,0,0,0,1|2,0,0]=4 809 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,1,0,0,0,1|2,0,0]=4 810 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,1,0,0,0,1|2,0,0]=4 811 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,1,0,0,0,1|2,0,0]=4 812 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,1,0,0,0,1|2,0,0]=4 813 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,1,0,0,0,1|2,0,0]=4 814 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,1,0,0,0,1|2,0,0]=4 815 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,1,0,0,0,1|2,0,0]=4 817 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,1,0,0,0,1|2,0,0]=4 818 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,1,0,0,0,1|2,0,0]=4 819 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,1,0,0,0,1|2,0,0]=4 822 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,1,0,0,0,1|2,0,0]=4 823 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,1,0,0,0,1|2,0,0]=4 826 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,1,0,0,0,1|2,0,0]=4 827 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,1,0,0,0,1|2,0,0]=4 828 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,1,0,0,0,1|2,0,0]=4 829 B12R1.233 CC(=O)Nc1ncc(cc1C)O 271570a_203496583355_200011934169 [0,1,0,0,0,1|2,0,0]=4 830 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,1,0,0,0,1|2,0,0]=4 831 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,1,0,0,0,1|2,0,0]=4 832 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,1,0,0,0,1|2,0,0]=4 833 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,1|2,0,0]=4 834 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,1|2,0,0]=4 835 B12R1.371 CCC(=O)Cc1cccnc1C 1458a_100000210414_100000732876 [0,1,0,0,0,1|2,0,0]=4 836 B12R1.371 CCC(=O)Cc1ccncc1C 1458a_100000210414_100020672808 [0,1,0,0,0,1|2,0,0]=4 837 B12R1.371 CCC(=O)Cc1cnccc1C 1458a_100000210414_100000690890 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_100000210414_100000696600 [0,1,0,0,0,1|2,0,0]=4 839 B12R1.371 CCC(=O)Cc1ncccc1C 1458a_200000722269_100000210202 [0,1,0,0,0,1|2,0,0]=4 840 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 841 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 842 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 843 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,1,0,0,0,1|2,0,0]=4 844 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,0,1|2,0,0]=4 845 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 846 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 847 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,0,1|2,0,0]=4 848 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,1,0,0,0,1|2,0,0]=4 849 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,1,0,0,0,1|2,0,0]=4 850 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,0,1|2,0,0]=4 852 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,1,0,0,0,1|2,0,0]=4 854 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,0,0,0,1|2,0,0]=4 855 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,0,0,0,1|2,0,0]=4 856 B12R1.371 Cc1cccnc1CC(=O)CF 1458a_200000722269_100015361967 [0,1,0,0,0,1|2,0,0]=4 857 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,1,0,0,0,1|2,0,0]=4 858 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,1,0,0,0,1|2,0,0]=4 860 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,1,0,0,0,1|2,0,0]=4 861 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100000070787_100010146847 [0,1,0,0,0,1|2,0,0]=4 862 B12R1.1009 CC(=O)Cc1c(cccc1Br)C 1458a_100010147022_200000210301 [0,1,0,0,0,1|2,0,0]=4 863 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000070787_100000758300 [0,1,0,0,0,1|2,0,0]=4 864 B12R1.1009 CC(=O)Cc1c(cccc1C)C 1458a_100000689862_200000210301 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.1009 CC(=O)Cc1c(cccc1F)C 1458a_100000070787_100009814554 [0,1,0,0,0,1|2,0,0]=4 866 B12R1.1009 CC(=O)Cc1c(cccc1I)C 1458a_100000070787_100010150146 [0,1,0,0,0,1|2,0,0]=4 867 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 11a_100011834072_100015343762 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.1009 CC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100015343762 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.1009 CC(=O)Nc1c(cccc1C)C 11a_100000185769_100015343762 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.1009 CC(=O)Nc1c(cccc1C)C 1626a_100000185769_100015343762 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.1009 CC(=O)Nc1c(cccc1C)C 22a_100000185769_100000070787 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100015343762 [0,1,0,0,0,1|2,0,0]=4 873 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100015343762 [0,1,0,0,0,1|2,0,0]=4 874 B12R1.1009 CC(=O)Nc1c(cccc1F)C 11a_100000766463_100015343762 [0,1,0,0,0,1|2,0,0]=4 875 B12R1.1009 CC(=O)Nc1c(cccc1F)C 1626a_100000766463_100015343762 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.1009 CC(=O)Nc1c(cccc1F)C 22a_100000766463_100000070787 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.1009 CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000070787 [0,1,0,0,0,1|2,0,0]=4 878 B12R1.1009 CC(=O)Nc1c(cccc1O)C 527a_100000743429_100103153847 [0,1,0,0,0,1|2,0,0]=4 879 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])Br 1458a_100010147022_200025704644 [0,1,0,0,0,1|2,0,0]=4 880 B12R1.1009 Cc1cccc(c1CC(=O)[13CH3])C 1458a_100000689862_200025704644 [0,1,0,0,0,1|2,0,0]=4 881 B12R1.81 C=C(C)CSc1ccoc1C=O 62a_100000748629_100000756499 [0,1,0,0,0,1|1,0,1]=4 882 B12R1.81 C=C(C)CSc1ccoc1C=O 62a_100000756499_100000211660 [0,1,0,0,0,1|1,0,1]=4 883 B12R1.81 C=C(C)CSc1ccsc1CO 62a_100000702026_100000211660 [0,1,0,0,0,1|1,1,0]=4 884 B12R1.81 C=C(C)CSc1ccsc1CO 62a_100000748629_100000702026 [0,1,0,0,0,1|1,1,0]=4 885 B12R1.81 C=C(C)CSc1ccsc1SC 62a_100000748629_200010341309 [0,1,0,0,0,1|1,1,0]=4 886 B12R1.81 C=C(C)CSc1ccsc1SC 62a_200010341309_100000211660 [0,1,0,0,0,1|1,1,0]=4 887 B12R1.81 CSc1sccc1SCC(=O)N 62a_100000747473_200010341309 [0,1,0,0,0,1|1,1,0]=4 888 B12R1.81 CSc1sccc1SCC(=O)N 62a_200010341309_100000747473 [0,1,0,0,0,1|1,1,0]=4 889 B12R1.81 CSc1sccc1SCC(=O)[O-] 62a_100020667443_200010341309 [0,1,0,0,0,1|1,1,0]=4 890 B12R1.81 CSc1sccc1SCC(=O)[O-] 62a_200010341309_100020667443 [0,1,0,0,0,1|1,1,0]=4 891 B12R1.81 NC(=O)CSc1ccoc1C=O 62a_100000747473_100000756499 [0,1,0,0,0,1|1,0,1]=4 892 B12R1.81 NC(=O)CSc1ccoc1C=O 62a_100000756499_100000747473 [0,1,0,0,0,1|1,0,1]=4 893 B12R1.81 NC(=O)CSc1ccsc1CO 62a_100000702026_100000747473 [0,1,0,0,0,1|1,1,0]=4 894 B12R1.81 NC(=O)CSc1ccsc1CO 62a_100000747473_100000702026 [0,1,0,0,0,1|1,1,0]=4 895 B12R1.81 O=C([O-])CSc1ccsc1CO 62a_100000702026_100020667443 [0,1,0,0,0,1|1,1,0]=4 896 B12R1.81 O=C([O-])CSc1ccsc1CO 62a_100020667443_100000702026 [0,1,0,0,0,1|1,1,0]=4 897 B12R1.81 O=Cc1occc1SCC(=O)[O-] 62a_100000756499_100020667443 [0,1,0,0,0,1|1,0,1]=4 898 B12R1.81 O=Cc1occc1SCC(=O)[O-] 62a_100020667443_100000756499 [0,1,0,0,0,1|1,0,1]=4 899 B12R1.145 CC(=O)C(C)Sc1c[nH]nc1C 62a_100000692133_100009814033 [0,1,0,0,0,1|2,0,0]=4 900 B12R1.145 CC(=O)C(C)Sc1c[nH]nc1C 62a_100009814033_100000692133 [0,1,0,0,0,1|2,0,0]=4 901 B12R1.145 CC(=O)C(C)Sc1ccnn1C 62a_100000688441_100009814033 [0,1,0,0,0,1|2,0,0]=4 902 B12R1.145 CC(=O)C(C)Sc1ccnn1C 62a_100009814033_100000688441 [0,1,0,0,0,1|2,0,0]=4 903 B12R1.145 CC(=O)C(C)Sc1ccsc1C 62a_100000684487_100009814033 [0,1,0,0,0,1|0,1,0]=3 904 B12R1.145 CC(=O)C(C)Sc1ccsc1C 62a_100009814033_100000684487 [0,1,0,0,0,1|0,1,0]=3 905 B12R1.145 CC(=O)C(C)Sc1cnoc1C 62a_100009814033_100009872056 [0,1,0,0,0,1|1,0,0]=3 906 B12R1.145 CC(=O)C(C)Sc1cnoc1C 62a_100009872056_100009814033 [0,1,0,0,0,1|1,0,0]=3 907 B12R1.145 CC(=O)C(C)Sc1cscc1C 62a_100000759966_100009814033 [0,1,0,0,0,1|2,0,0]=4 908 B12R1.145 CC(=O)C(C)Sc1cscc1C 62a_100009814033_100000759966 [0,1,0,0,0,1|2,0,0]=4 909 B12R1.145 CC(=O)C(C)Sc1nc[nH]c1C 62a_100009814033_100010186451 [0,1,0,0,0,1|2,0,0]=4 910 B12R1.145 CC(=O)C(C)Sc1nc[nH]c1C 62a_100010186451_100009814033 [0,1,0,0,0,1|2,0,0]=4 911 B12R1.145 CC(=O)C(C)Sc1ncsc1C 62a_100000732656_100009814033 [0,1,0,0,0,1|1,1,0]=4 912 B12R1.145 CC(=O)C(C)Sc1ncsc1C 62a_100009814033_100000732656 [0,1,0,0,0,1|1,1,0]=4 913 B12R1.145 CC(=O)C(C)Sc1sccc1C 62a_100009814033_100010247149 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.145 CC(=O)C(C)Sc1sccc1C 62a_100010247149_100009814033 [0,1,0,0,0,1|2,0,0]=4 915 B12R1.145 CC(=O)C(C)Sc1scnc1C 62a_100009814033_100009817116 [0,1,0,0,0,1|2,0,0]=4 916 B12R1.145 CC(=O)C(C)Sc1scnc1C 62a_100009817116_100009814033 [0,1,0,0,0,1|2,0,0]=4 917 B12R1.145 CC(=O)N(C)Cc1ccoc1C 11a_100000745204_100015343762 [0,1,0,0,0,1|1,0,0]=3 918 B12R1.145 CC(=O)N(C)Cc1ccoc1C 1626a_100000745204_100015343762 [0,1,0,0,0,1|1,0,0]=3 919 B12R1.145 CC(=O)N(C)Cc1ccoc1C 240690a_100000745204_100015343762 [0,1,0,0,0,1|1,0,0]=3 920 B12R1.145 CC(=O)N(C)Cc1ccoc1C 527a_100000745204_100103153847 [0,1,0,0,0,1|1,0,0]=3 921 B12R1.145 Cc1oncc1SC(C)C(=O)N 62a_100000702099_100009872056 [0,1,0,0,0,1|2,0,0]=4 922 B12R1.145 Cc1oncc1SC(C)C(=O)N 62a_100009872056_100000702099 [0,1,0,0,0,1|2,0,0]=4 923 B12R1.145 Cc1oncc1SC(F)C(=O)N 62a_100009813875_100009872056 [0,1,0,0,0,1|2,0,0]=4 924 B12R1.145 Cc1oncc1SC(F)C(=O)N 62a_100009872056_100009813875 [0,1,0,0,0,1|2,0,0]=4 925 B12R1.145 Cc1oncc1SC(F)C(=O)[O-] 62a_100009872056_100020610796 [0,1,0,0,0,1|2,0,0]=4 926 B12R1.145 Cc1oncc1SC(F)C(=O)[O-] 62a_100020610796_100009872056 [0,1,0,0,0,1|2,0,0]=4 927 B12R1.145 Cc1sccc1SC(C)C(=O)N 62a_100000684487_100000702099 [0,1,0,0,0,1|1,1,0]=4 928 B12R1.145 Cc1sccc1SC(C)C(=O)N 62a_100000702099_100000684487 [0,1,0,0,0,1|1,1,0]=4 929 B12R1.145 Cc1sccc1SC(F)C(=O)N 62a_100000684487_100009813875 [0,1,0,0,0,1|1,1,0]=4 930 B12R1.145 Cc1sccc1SC(F)C(=O)N 62a_100009813875_100000684487 [0,1,0,0,0,1|1,1,0]=4 931 B12R1.145 Cc1sccc1SC(F)C(=O)[O-] 62a_100000684487_100020610796 [0,1,0,0,0,1|1,1,0]=4 932 B12R1.145 Cc1sccc1SC(F)C(=O)[O-] 62a_100020610796_100000684487 [0,1,0,0,0,1|1,1,0]=4 933 B12R1.353 CCC(=O)CSc1c[nH]nc1C 62a_100000692133_100000747405 [0,1,0,0,0,1|2,0,0]=4 934 B12R1.353 CCC(=O)CSc1c[nH]nc1C 62a_100000747405_100000692133 [0,1,0,0,0,1|2,0,0]=4 935 B12R1.353 CCC(=O)CSc1ccnn1C 62a_100000688441_100000747405 [0,1,0,0,0,1|2,0,0]=4 936 B12R1.353 CCC(=O)CSc1ccnn1C 62a_100000747405_100000688441 [0,1,0,0,0,1|2,0,0]=4 937 B12R1.353 CCC(=O)CSc1ccsc1C 62a_100000684487_100000747405 [0,1,0,0,0,1|0,1,0]=3 938 B12R1.353 CCC(=O)CSc1ccsc1C 62a_100000747405_100000684487 [0,1,0,0,0,1|0,1,0]=3 939 B12R1.353 CCC(=O)CSc1cnoc1C 62a_100000747405_100009872056 [0,1,0,0,0,1|1,0,0]=3 940 B12R1.353 CCC(=O)CSc1cnoc1C 62a_100009872056_100000747405 [0,1,0,0,0,1|1,0,0]=3 941 B12R1.353 CCC(=O)CSc1cscc1C 62a_100000747405_100000759966 [0,1,0,0,0,1|2,0,0]=4 942 B12R1.353 CCC(=O)CSc1cscc1C 62a_100000759966_100000747405 [0,1,0,0,0,1|2,0,0]=4 943 B12R1.353 CCC(=O)CSc1nc[nH]c1C 62a_100000747405_100010186451 [0,1,0,0,0,1|2,0,0]=4 944 B12R1.353 CCC(=O)CSc1nc[nH]c1C 62a_100010186451_100000747405 [0,1,0,0,0,1|2,0,0]=4 945 B12R1.353 CCC(=O)CSc1ncsc1C 62a_100000732656_100000747405 [0,1,0,0,0,1|1,1,0]=4 946 B12R1.353 CCC(=O)CSc1ncsc1C 62a_100000747405_100000732656 [0,1,0,0,0,1|1,1,0]=4 947 B12R1.353 CCC(=O)CSc1sccc1C 62a_100000747405_100010247149 [0,1,0,0,0,1|2,0,0]=4 948 B12R1.353 CCC(=O)CSc1sccc1C 62a_100010247149_100000747405 [0,1,0,0,0,1|2,0,0]=4 949 B12R1.353 CCC(=O)CSc1scnc1C 62a_100000747405_100009817116 [0,1,0,0,0,1|2,0,0]=4 950 B12R1.353 CCC(=O)CSc1scnc1C 62a_100009817116_100000747405 [0,1,0,0,0,1|2,0,0]=4 951 B12R1.353 CNC(=O)CSc1c[nH]nc1C 62a_100000183359_100000692133 [0,1,0,0,0,1|2,0,0]=4 952 B12R1.353 CNC(=O)CSc1c[nH]nc1C 62a_100000692133_100000183359 [0,1,0,0,0,1|2,0,0]=4 953 B12R1.353 CNC(=O)CSc1ccnn1C 62a_100000183359_100000688441 [0,1,0,0,0,1|2,0,0]=4 954 B12R1.353 CNC(=O)CSc1ccnn1C 62a_100000688441_100000183359 [0,1,0,0,0,1|2,0,0]=4 955 B12R1.353 CNC(=O)CSc1ccsc1C 62a_100000183359_100000684487 [0,1,0,0,0,1|0,1,0]=3 956 B12R1.353 CNC(=O)CSc1ccsc1C 62a_100000684487_100000183359 [0,1,0,0,0,1|0,1,0]=3 957 B12R1.353 CNC(=O)CSc1cnoc1C 62a_100000183359_100009872056 [0,1,0,0,0,1|1,0,0]=3 958 B12R1.353 CNC(=O)CSc1cnoc1C 62a_100009872056_100000183359 [0,1,0,0,0,1|1,0,0]=3 959 B12R1.353 CNC(=O)CSc1cscc1C 62a_100000183359_100000759966 [0,1,0,0,0,1|2,0,0]=4 960 B12R1.353 CNC(=O)CSc1cscc1C 62a_100000759966_100000183359 [0,1,0,0,0,1|2,0,0]=4 961 B12R1.353 CNC(=O)CSc1nc[nH]c1C 62a_100000183359_100010186451 [0,1,0,0,0,1|2,0,0]=4 962 B12R1.353 CNC(=O)CSc1nc[nH]c1C 62a_100010186451_100000183359 [0,1,0,0,0,1|2,0,0]=4 963 B12R1.353 CNC(=O)CSc1ncsc1C 62a_100000183359_100000732656 [0,1,0,0,0,1|1,1,0]=4 964 B12R1.353 CNC(=O)CSc1ncsc1C 62a_100000732656_100000183359 [0,1,0,0,0,1|1,1,0]=4 965 B12R1.353 CNC(=O)CSc1sccc1C 62a_100000183359_100010247149 [0,1,0,0,0,1|2,0,0]=4 966 B12R1.353 CNC(=O)CSc1sccc1C 62a_100010247149_100000183359 [0,1,0,0,0,1|2,0,0]=4 967 B12R1.353 CNC(=O)CSc1scnc1C 62a_100000183359_100009817116 [0,1,0,0,0,1|2,0,0]=4 968 B12R1.353 CNC(=O)CSc1scnc1C 62a_100009817116_100000183359 [0,1,0,0,0,1|2,0,0]=4 969 B12R1.353 COC(=O)CSc1c[nH]nc1C 62a_100000692133_100000747449 [0,1,0,0,0,1|2,0,0]=4 970 B12R1.353 COC(=O)CSc1c[nH]nc1C 62a_100000747449_100000692133 [0,1,0,0,0,1|2,0,0]=4 971 B12R1.353 COC(=O)CSc1ccnn1C 62a_100000688441_100000747449 [0,1,0,0,0,1|2,0,0]=4 972 B12R1.353 COC(=O)CSc1ccnn1C 62a_100000747449_100000688441 [0,1,0,0,0,1|2,0,0]=4 973 B12R1.353 COC(=O)CSc1ccsc1C 62a_100000684487_100000747449 [0,1,0,0,0,1|0,1,0]=3 974 B12R1.353 COC(=O)CSc1ccsc1C 62a_100000747449_100000684487 [0,1,0,0,0,1|0,1,0]=3 975 B12R1.353 COC(=O)CSc1cnoc1C 62a_100000747449_100009872056 [0,1,0,0,0,1|1,0,0]=3 976 B12R1.353 COC(=O)CSc1cnoc1C 62a_100009872056_100000747449 [0,1,0,0,0,1|1,0,0]=3 977 B12R1.353 COC(=O)CSc1cscc1C 62a_100000747449_100000759966 [0,1,0,0,0,1|2,0,0]=4 978 B12R1.353 COC(=O)CSc1cscc1C 62a_100000759966_100000747449 [0,1,0,0,0,1|2,0,0]=4 979 B12R1.353 COC(=O)CSc1nc[nH]c1C 62a_100000747449_100010186451 [0,1,0,0,0,1|2,0,0]=4 980 B12R1.353 COC(=O)CSc1nc[nH]c1C 62a_100010186451_100000747449 [0,1,0,0,0,1|2,0,0]=4 981 B12R1.353 COC(=O)CSc1ncsc1C 62a_100000732656_100000747449 [0,1,0,0,0,1|1,1,0]=4 982 B12R1.353 COC(=O)CSc1ncsc1C 62a_100000747449_100000732656 [0,1,0,0,0,1|1,1,0]=4 983 B12R1.353 COC(=O)CSc1sccc1C 62a_100000747449_100010247149 [0,1,0,0,0,1|2,0,0]=4 984 B12R1.353 COC(=O)CSc1sccc1C 62a_100010247149_100000747449 [0,1,0,0,0,1|2,0,0]=4 985 B12R1.353 COC(=O)CSc1scnc1C 62a_100000747449_100009817116 [0,1,0,0,0,1|2,0,0]=4 986 B12R1.353 COC(=O)CSc1scnc1C 62a_100009817116_100000747449 [0,1,0,0,0,1|2,0,0]=4 987 B12R1.861 C=C(C)CSc1cc(sc1C)C 62a_100000688054_100000211660 [0,1,0,0,0,1|1,1,0]=4 988 B12R1.861 C=C(C)CSc1cc(sc1C)C 62a_100000748629_100000688054 [0,1,0,0,0,1|1,1,0]=4 989 B12R1.861 CC(=O)NN=C1C=C(OC1C)C 4a_100000189765_100000040871 [0,1,0,0,0,1|1,0,1]=4 990 B12R1.861 Cc1cc(c(s1)C)SCC(=O)N 62a_100000688054_100000747473 [0,1,0,0,0,1|1,1,0]=4 991 B12R1.861 Cc1cc(c(s1)C)SCC(=O)N 62a_100000747473_100000688054 [0,1,0,0,0,1|1,1,0]=4 992 B12R1.861 Cc1cc(c(s1)C)SCC(=O)[O-] 62a_100000688054_100020667443 [0,1,0,0,0,1|1,1,0]=4 993 B12R1.861 Cc1cc(c(s1)C)SCC(=O)[O-] 62a_100020667443_100000688054 [0,1,0,0,0,1|1,1,0]=4 994 B12R1.895 C=C(C)CSc1c(noc1C)C 62a_100000694658_100000211660 [0,1,0,0,0,1|2,0,0]=4 995 B12R1.895 C=C(C)CSc1c(noc1C)C 62a_100000748629_100000694658 [0,1,0,0,0,1|2,0,0]=4 996 B12R1.895 C=C(C)CSc1c(noc1C)N 62a_100000748629_100011216220 [0,1,0,0,0,1|2,0,0]=4 997 B12R1.895 C=C(C)CSc1c(noc1C)N 62a_100011216220_100000211660 [0,1,0,0,0,1|2,0,0]=4 998 B12R1.895 C=C(C)CSc1c(noc1C)O 62a_100000748629_100010730664 [0,1,0,0,0,1|2,0,0]=4 999 B12R1.895 C=C(C)CSc1c(noc1C)O 62a_100010730664_100000211660 [0,1,0,0,0,1|2,0,0]=4 1000 B12R1.895 CC(=O)CCc1c(c[nH]c1C)C 1458a_100102525370_200000210301 [0,1,0,0,0,1|2,0,0]=4 1001 B12R1.895 CC(=O)CCc1c(noc1C)C 1458a_100000189609_200000210301 [0,1,0,0,0,1|2,0,0]=4 1002 B12R1.895 CC(=O)NCc1c(noc1C)C 11a_100000174930_100015343762 [0,1,0,0,0,1|2,0,0]=4 1003 B12R1.895 CC(=O)NCc1c(noc1C)C 1626a_100000174930_100015343762 [0,1,0,0,0,1|2,0,0]=4 1004 B12R1.895 CC(=O)NCc1c(noc1C)C 240690a_100000174930_100015343762 [0,1,0,0,0,1|2,0,0]=4 1005 B12R1.895 CC(=O)NCc1c(noc1C)C 527a_100000174930_100103153847 [0,1,0,0,0,1|2,0,0]=4 1006 B12R1.895 Cc1c[nH]c(c1CCC(=O)[13CH3])C 1458a_100102525370_200025704644 [0,1,0,0,0,1|2,0,0]=4 1007 B12R1.895 Cc1noc(c1CCC(=O)[13CH3])C 1458a_100000189609_200025704644 [0,1,0,0,0,1|2,0,0]=4 1008 B12R1.895 Cc1noc(c1SCC(=O)N)C 62a_100000694658_100000747473 [0,1,0,0,0,1|2,0,0]=4 1009 B12R1.895 Cc1noc(c1SCC(=O)N)C 62a_100000747473_100000694658 [0,1,0,0,0,1|2,0,0]=4 1010 B12R1.895 Cc1noc(c1SCC(=O)[O-])C 62a_100000694658_100020667443 [0,1,0,0,0,1|2,0,0]=4 1011 B12R1.895 Cc1noc(c1SCC(=O)[O-])C 62a_100020667443_100000694658 [0,1,0,0,0,1|2,0,0]=4 1012 B12R1.895 Cc1onc(c1SCC(=O)N)N 62a_100000747473_100011216220 [0,1,0,0,0,1|2,0,0]=4 1013 B12R1.895 Cc1onc(c1SCC(=O)N)N 62a_100011216220_100000747473 [0,1,0,0,0,1|2,0,0]=4 1014 B12R1.895 Cc1onc(c1SCC(=O)N)O 62a_100000747473_100010730664 [0,1,0,0,0,1|2,0,0]=4 1015 B12R1.895 Cc1onc(c1SCC(=O)N)O 62a_100010730664_100000747473 [0,1,0,0,0,1|2,0,0]=4 1016 B12R1.895 Cc1onc(c1SCC(=O)[O-])N 62a_100011216220_100020667443 [0,1,0,0,0,1|2,0,0]=4 1017 B12R1.895 Cc1onc(c1SCC(=O)[O-])N 62a_100020667443_100011216220 [0,1,0,0,0,1|2,0,0]=4 1018 B12R1.895 Cc1onc(c1SCC(=O)[O-])O 62a_100010730664_100020667443 [0,1,0,0,0,1|2,0,0]=4 1019 B12R1.895 Cc1onc(c1SCC(=O)[O-])O 62a_100020667443_100010730664 [0,1,0,0,0,1|2,0,0]=4 1020 B12R1.924 CC(=O)NN=C1C=COC1(C)C 4a_100000189765_200000032949 [0,1,0,0,0,1|1,0,1]=4 1021 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,1,0,0,0,1|2,0,0]=4 1022 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,1,0,0,0,1|2,0,0]=4 1023 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,1,0,0,0,1|2,0,0]=4 1024 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,1,0,0,0,1|2,0,0]=4 1025 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,1,0,0,0,1|2,0,0]=4 1026 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,1,0,0,0,1|2,0,0]=4 1027 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,1,0,0,0,1|2,0,0]=4 1028 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,1,0,0,0,1|2,0,0]=4 1029 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [0,1,0,0,0,1|2,0,0]=4 1030 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [0,1,0,0,0,1|2,0,0]=4 1031 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [0,1,0,0,0,1|2,0,0]=4 1032 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [0,1,0,0,0,1|2,0,0]=4 1033 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,1,0,0,0,1|2,0,0]=4 1034 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,1,0,0,0,1|2,0,0]=4 1035 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,1,0,0,0,1|2,0,0]=4 1036 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,1,0,0,0,1|2,0,0]=4 1037 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [0,1,0,0,0,1|2,0,0]=4 1038 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [0,1,0,0,0,1|2,0,0]=4 1039 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [0,1,0,0,0,1|2,0,0]=4 1040 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [0,1,0,0,0,1|2,0,0]=4 1041 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [0,1,0,0,0,1|2,0,0]=4 1042 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [0,1,0,0,0,1|2,0,0]=4 1043 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [0,1,0,0,0,1|2,0,0]=4 1044 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [0,1,0,0,0,1|2,0,0]=4 1045 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [0,1,0,0,0,1|2,0,0]=4 1046 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [0,1,0,0,0,1|2,0,0]=4 1047 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [0,1,0,0,0,1|2,0,0]=4 1048 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [0,1,0,0,0,1|2,0,0]=4 1049 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,1,0,0,0,1|2,0,0]=4 1050 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,1,0,0,0,1|2,0,0]=4 1051 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,1,0,0,0,1|2,0,0]=4 1052 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,1,0,0,0,1|2,0,0]=4 1053 B12R1.19 CC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187074 [0,1,0,0,0,1|2,0,0]=4 1054 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,1,0,0,0,1|2,0,0]=4 1055 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,1,0,0,0,1|2,0,0]=4 1056 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,1,0,0,0,1|2,0,0]=4 1057 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,1,0,0,0,1|2,0,0]=4 1058 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,0,1|2,0,0]=4 1059 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,0,1|2,0,0]=4 1060 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100000210414_100000757606 [0,1,0,0,0,1|2,0,0]=4 1061 B12R1.50 CCC(=O)Cc1cccc(n1)C 1458a_100012001110_100000210202 [0,1,0,0,0,1|2,0,0]=4 1062 B12R1.50 CCC(=O)Cc1ccnc(c1)C 1458a_100000210414_200020672517 [0,1,0,0,0,1|2,0,0]=4 1063 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1064 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1065 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1066 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 1067 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,0,0,0,1|2,0,0]=4 1068 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 1069 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 1070 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 1071 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,1,0,0,0,1|2,0,0]=4 1072 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,1,0,0,0,1|2,0,0]=4 1073 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,1,0,0,0,1|2,0,0]=4 1074 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,1,0,0,0,1|2,0,0]=4 1075 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,0,1|2,0,0]=4 1076 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,0,1|2,0,0]=4 1077 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [0,1,0,0,0,1|2,0,0]=4 1078 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,1,0,0,0,1|2,0,0]=4 1079 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,1,0,0,0,1|2,0,0]=4 1080 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,0,0,0,1|2,0,0]=4 1081 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,0,0,0,1|2,0,0]=4 1082 B12R1.50 Cc1cccc(n1)CC(=O)CF 1458a_100012001110_100015361967 [0,1,0,0,0,1|2,0,0]=4 1083 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,1,0,0,0,1|2,0,0]=4 1084 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000070787_100012348363 [0,1,0,0,0,1|2,0,0]=4 1085 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100000070787_100000181317 [0,1,0,0,0,1|2,0,0]=4 1086 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_200000210301 [0,1,0,0,0,1|2,0,0]=4 1087 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100000070787_100011219130 [0,1,0,0,0,1|2,0,0]=4 1088 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_200000210301 [0,1,0,0,0,1|2,0,0]=4 1089 B12R1.101 CC(=O)Cc1cc(cc(n1)C)C 1458a_100000070787_100012357514 [0,1,0,0,0,1|2,0,0]=4 1090 B12R1.101 CC(=O)Cc1cc(nc(c1)C)C 1458a_100000070787_200000139866 [0,1,0,0,0,1|2,0,0]=4 1091 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 11a_100000695972_100015343762 [0,1,0,0,0,1|2,0,0]=4 1092 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 1626a_100000695972_100015343762 [0,1,0,0,0,1|2,0,0]=4 1093 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 22a_100000695972_100000070787 [0,1,0,0,0,1|2,0,0]=4 1094 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 527a_100000695972_100103153847 [0,1,0,0,0,1|2,0,0]=4 1095 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 11a_100000210930_100015343762 [0,1,0,0,0,1|2,0,0]=4 1096 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100015343762 [0,1,0,0,0,1|2,0,0]=4 1097 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000070787 [0,1,0,0,0,1|2,0,0]=4 1098 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 527a_100000210930_100103153847 [0,1,0,0,0,1|2,0,0]=4 1099 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 11a_100012022512_100015343762 [0,1,0,0,0,1|2,0,0]=4 1100 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 1626a_100012022512_100015343762 [0,1,0,0,0,1|2,0,0]=4 1101 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 22a_100012022512_100000070787 [0,1,0,0,0,1|2,0,0]=4 1102 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 11a_100000742734_100015343762 [0,1,0,0,0,1|2,0,0]=4 1103 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 1626a_100000742734_100015343762 [0,1,0,0,0,1|2,0,0]=4 1104 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 22a_100000742734_100000070787 [0,1,0,0,0,1|2,0,0]=4 1105 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 527a_100000742734_100103153847 [0,1,0,0,0,1|2,0,0]=4 1106 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100015343762 [0,1,0,0,0,1|2,0,0]=4 1107 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000070787 [0,1,0,0,0,1|2,0,0]=4 1108 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100103153847 [0,1,0,0,0,1|2,0,0]=4 1109 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])C 1458a_100011202310_200025704644 [0,1,0,0,0,1|2,0,0]=4 1110 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])F 1458a_100011216671_200025704644 [0,1,0,0,0,1|2,0,0]=4 1111 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,1,0,0,0,1|2,0,0]=4 1112 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,1,0,0,0,1|2,0,0]=4 1113 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,1,0,0,0,1|2,0,0]=4 1114 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,1,0,0,0,1|2,0,0]=4 1115 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,1,0,0,0,1|2,0,0]=4 1116 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,1,0,0,0,1|2,0,0]=4 1117 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,1,0,0,0,1|2,0,0]=4 1118 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [0,1,0,0,0,1|2,0,0]=4 1119 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [0,1,0,0,0,1|2,0,0]=4 1120 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [0,1,0,0,0,1|2,0,0]=4 1121 B12R1.438 CC(=O)Cc1cccc(n1)CO 1458a_100000070787_100009813551 [0,1,0,0,0,1|2,0,0]=4 1122 B12R1.438 CC(=O)Nc1cccc(c1)CF 11a_100000126320_100015343762 [0,1,0,0,0,1|2,0,0]=4 1123 B12R1.438 CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100015343762 [0,1,0,0,0,1|2,0,0]=4 1124 B12R1.438 CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000070787 [0,1,0,0,0,1|2,0,0]=4 1125 B12R1.438 CC(=O)Nc1cccc(c1)CF 527a_100000126320_100103153847 [0,1,0,0,0,1|2,0,0]=4 1126 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [0,1,0,0,0,1|2,0,0]=4 1128 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,1,0,0,0,1|2,0,0]=4 1129 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,1,0,0,0,1|2,0,0]=4 1130 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [0,1,0,0,0,1|2,0,0]=4 1131 B12R1.438 CC(=O)Nc1cccc(n1)S[13CH3] 62a_200025704644_200011307899 [0,1,0,0,0,1|2,0,0]=4 1132 B12R1.438 CC(=O)Nc1ccnc(c1)S[13CH3] 62a_200025704644_100000238608 [0,1,0,0,0,1|2,0,0]=4 1133 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [0,1,0,0,0,1|1,1,0]=4 1134 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [0,1,0,0,0,1|1,1,0]=4 1135 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [0,1,0,0,0,1|2,0,0]=4 1136 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [0,1,0,0,0,1|2,0,0]=4 1137 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [0,1,0,0,0,1|2,0,0]=4 1138 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [0,1,0,0,0,1|2,0,0]=4 1139 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [0,1,0,0,0,1|2,0,0]=4 1140 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [0,1,0,0,0,1|2,0,0]=4 1141 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [0,1,0,0,0,1|2,0,0]=4 1142 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [0,1,0,0,0,1|2,0,0]=4 1143 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,1,0,0,0,1|2,0,0]=4 1144 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,1,0,0,0,1|2,0,0]=4 1145 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,1,0,0,0,1|2,0,0]=4 1146 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,1,0,0,0,1|2,0,0]=4 1147 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,1,0,0,0,1|2,0,0]=4 1148 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,1,0,0,0,1|2,0,0]=4 1149 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,1,0,0,0,1|2,0,0]=4 1150 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,1,0,0,0,1|2,0,0]=4 1151 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,1,0,0,0,1|2,0,0]=4 1152 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [0,1,0,0,0,1|1,1,0]=4 1153 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [0,1,0,0,0,1|2,0,0]=4 1154 B12R1.438 CSc1cc(ccn1)NC(=O)C 62a_200000210301_100000238608 [0,1,0,0,0,1|2,0,0]=4 1155 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [0,1,0,0,0,1|2,0,0]=4 1156 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [0,1,0,0,0,1|2,0,0]=4 1157 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [0,1,0,0,0,1|2,0,0]=4 1158 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [0,1,0,0,0,1|2,0,0]=4 1159 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [0,1,0,0,0,1|2,0,0]=4 1160 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [0,1,0,0,0,1|2,0,0]=4 1161 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [0,1,0,0,0,1|2,0,0]=4 1162 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [0,1,0,0,0,1|2,0,0]=4 1163 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [0,1,0,0,0,1|2,0,0]=4 1164 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [0,1,0,0,0,1|1,1,0]=4 1165 B12R1.438 CSc1cccc(n1)NC(=O)C 62a_200000210301_200011307899 [0,1,0,0,0,1|2,0,0]=4 1166 B12R1.318 C#CCC(=O)Cc1ncoc1C 1458a_100011220946_200000693990 [0,2,0,0,0,0|2,0,0]=4 1167 B12R1.318 C=CCC(=O)Cc1ncoc1C 1458a_100000210193_200000693990 [0,2,0,0,0,0|2,0,0]=4 1168 B12R1.318 CC#CC(=O)Cc1ncoc1C 1458a_100000763181_200000693990 [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.318 CC=CC(=O)Cc1ncoc1C 1458a_100000210699_200000693990 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.318 CCCC(=O)Cc1ncoc1C 1458a_100000211992_200000693990 [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.318 COCC(=O)Cc1ncoc1C 1458a_100000210968_200000693990 [0,2,0,0,0,0|2,0,0]=4 1172 B12R1.318 CSCC(=O)Cc1ncoc1C 1458a_100000184570_200000693990 [0,2,0,0,0,0|2,0,0]=4 1173 B12R1.318 Cc1occc1CN(C)CC=O 2230a_100000745204_200015260668 [0,2,0,0,0,0|2,0,0]=4 1174 B12R1.318 Cc1occc1CN(C)CC=O 269982a_100000745204_200015260668 [0,2,0,0,0,0|2,0,0]=4 1175 B12R1.318 Cc1ocnc1CC(=O)CC#N 1458a_100051588842_200000693990 [0,2,0,0,0,0|2,0,0]=4 1176 B12R1.318 Cc1ocnc1CC(=O)CCO 1458a_100011216618_200000693990 [0,2,0,0,0,0|2,0,0]=4 1177 B12R1.532 CCC(=O)Cc1oc(=O)oc1C 1458a_100000210414_100000068490 [0,2,0,0,0,0|2,0,0]=4 1178 B12R1.532 Cc1oc(=O)oc1CC(=O)CO 1458a_100000210174_100000068490 [0,2,0,0,0,0|2,0,0]=4 1179 B12R1.2217 CCC(=O)Cc1c(noc1C)C 1458a_100000195403_100000210202 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.2217 CCC(=O)Cc1c(noc1C)C 1458a_100000210414_100000184612 [0,2,0,0,0,0|2,0,0]=4 1181 B12R1.2217 CNC(=O)Cc1c(noc1C)C 11a_106832991635_100000195403 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.2217 CNC(=O)Cc1c(noc1C)C 1626a_100102657272_100000195403 [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.2217 CNC(=O)Cc1c(noc1C)C 240690a_100102657272_100000195403 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.2217 CNC(=O)Cc1c(noc1C)C 527a_100102657272_100000195403 [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.2217 Cc1noc(c1CC(=O)CF)C 1458a_100000195403_100015361967 [0,2,0,0,0,0|2,0,0]=4 1186 B12R1.2217 Cc1noc(c1CC(=O)CO)C 1458a_100000210174_100000184612 [0,2,0,0,0,0|2,0,0]=4 1187 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,1,1,0,0|2,0,0]=4 1188 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,1,1,0,0|2,0,0]=4 1189 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,0,1,1,0,0|1,0,1]=4 1190 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,0,1,1,0,0|1,0,1]=4 1191 B10R2.193 c1cc(co1)SC2CC2 62a_100011215275_100000211595 [1,0,0,1,0,0|1,0,1]=4 1192 B12R2.3190 CC(=O)C1Cc2c1cccc2 1458a_200000238571_200000210301 [0,0,0,1,0,1|2,0,0]=4 1193 B12R2.3190 [13CH3]C(=O)C1Cc2c1cccc2 1458a_200000238571_200025704644 [0,0,0,1,0,1|2,0,0]=4 1194 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [1,0,0,0,1,0|1,0,0]=3 1195 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [1,0,0,0,1,0|1,1,0]=4 1196 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [1,0,0,0,1,0|2,0,0]=4 1197 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,0,1,0|0,0,2]=4 1198 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,0,1,0|0,0,2]=4 1199 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,0,1,0|0,0,2]=4 1200 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,0,1,0|0,0,2]=4 1201 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [1,0,0,0,0,1|2,0,0]=4 1202 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [1,0,0,0,0,1|2,0,0]=4 1203 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [1,0,0,0,0,1|2,0,0]=4 1204 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [1,0,0,0,0,1|2,0,0]=4 1205 B10R1.4 CC=Cc1cncnc1C 271570a_100016259895_100009819671 [1,0,0,0,0,1|2,0,0]=4 1206 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [1,0,0,0,0,1|2,0,0]=4 1207 B10R1.4 CC=Cc1nccnc1C 271570a_100016259895_100011999405 [1,0,0,0,0,1|2,0,0]=4 1208 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [1,0,0,0,0,1|1,0,1]=4 1209 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [1,0,0,0,0,1|1,0,1]=4 1210 B10R1.4 CCSc1cccnc1C 62a_100000210202_100000751574 [1,0,0,0,0,1|1,0,1]=4 1211 B10R1.4 CCSc1cccnc1C 62a_100000751574_100000210202 [1,0,0,0,0,1|1,0,1]=4 1212 B10R1.4 CCSc1ccncc1C 62a_100000210202_100000765111 [1,0,0,0,0,1|1,0,1]=4 1213 B10R1.4 CCSc1ccncc1C 62a_100000765111_100000210202 [1,0,0,0,0,1|1,0,1]=4 1214 B10R1.4 CCSc1cnccc1C 62a_100000210202_100000761580 [1,0,0,0,0,1|1,0,1]=4 1215 B10R1.4 CCSc1cnccc1C 62a_100000761580_100000210202 [1,0,0,0,0,1|1,0,1]=4 1216 B10R1.4 CCSc1cncnc1C 62a_100000210202_100009819671 [1,0,0,0,0,1|1,0,1]=4 1217 B10R1.4 CCSc1cncnc1C 62a_100009819671_100000210202 [1,0,0,0,0,1|1,0,1]=4 1218 B10R1.4 CCSc1ncccc1C 62a_100000210202_100000751373 [1,0,0,0,0,1|1,0,1]=4 1219 B10R1.4 CCSc1ncccc1C 62a_100000751373_100000210202 [1,0,0,0,0,1|1,0,1]=4 1220 B10R1.4 CCSc1nccnc1C 62a_100000210202_100011999405 [1,0,0,0,0,1|1,0,1]=4 1221 B10R1.4 CCSc1nccnc1C 62a_100011999405_100000210202 [1,0,0,0,0,1|1,0,1]=4 1222 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000210755_100000211660 [0,0,0,0,0,2|2,0,0]=4 1223 B12R1.125 C=C(C)CSc1ccccc1C 62a_100000748629_100000210755 [0,0,0,0,0,2|2,0,0]=4 1224 B12R1.125 C=C(C)CSc1cccnc1C 62a_100000748629_100000751574 [0,0,0,0,0,2|2,0,0]=4 1225 B12R1.125 C=C(C)CSc1cccnc1C 62a_100000751574_100000211660 [0,0,0,0,0,2|2,0,0]=4 1226 B12R1.125 C=C(C)CSc1ccncc1C 62a_100000748629_100000765111 [0,0,0,0,0,2|2,0,0]=4 1227 B12R1.125 C=C(C)CSc1ccncc1C 62a_100000765111_100000211660 [0,0,0,0,0,2|2,0,0]=4 1228 B12R1.125 C=C(C)CSc1cnccc1C 62a_100000748629_100000761580 [0,0,0,0,0,2|2,0,0]=4 1229 B12R1.125 C=C(C)CSc1cnccc1C 62a_100000761580_100000211660 [0,0,0,0,0,2|2,0,0]=4 1230 B12R1.125 C=C(C)CSc1cncnc1C 62a_100000748629_100009819671 [0,0,0,0,0,2|2,0,0]=4 1231 B12R1.125 C=C(C)CSc1cncnc1C 62a_100009819671_100000211660 [0,0,0,0,0,2|2,0,0]=4 1232 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000748629_100000751373 [0,0,0,0,0,2|2,0,0]=4 1233 B12R1.125 C=C(C)CSc1ncccc1C 62a_100000751373_100000211660 [0,0,0,0,0,2|2,0,0]=4 1234 B12R1.125 C=C(C)CSc1nccnc1C 62a_100000748629_100011999405 [0,0,0,0,0,2|2,0,0]=4 1235 B12R1.125 C=C(C)CSc1nccnc1C 62a_100011999405_100000211660 [0,0,0,0,0,2|2,0,0]=4 1236 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000070787_100011713688 [0,0,0,0,0,2|2,0,0]=4 1237 B12R1.125 CC(=O)CCc1ccccc1C 1458a_100000748742_200000210301 [0,0,0,0,0,2|2,0,0]=4 1238 B12R1.125 CC(=O)COc1ccccc1C 1458a_100000182418_200000210301 [0,0,0,0,0,2|1,1,0]=4 1239 B12R1.125 CC(=O)CSc1ccccc1C 1458a_100000183026_200000210301 [0,0,0,0,0,2|1,0,0]=3 1240 B12R1.125 CC(=O)CSc1ccccc1F 1458a_100000179528_200000210301 [0,0,0,0,0,2|2,0,0]=4 1241 B12R1.125 CC(=O)CSc1ccccc1O 1458a_100000695322_200000210301 [0,0,0,0,0,2|2,0,0]=4 1242 B12R1.125 CC(=O)NCc1ccccc1C 11a_100000174972_100015343762 [0,0,0,0,0,2|2,0,0]=4 1243 B12R1.125 CC(=O)NCc1ccccc1C 1626a_100000174972_100015343762 [0,0,0,0,0,2|2,0,0]=4 1244 B12R1.125 CC(=O)NCc1ccccc1C 240690a_100000174972_100015343762 [0,0,0,0,0,2|2,0,0]=4 1245 B12R1.125 CC(=O)NCc1ccccc1C 527a_100000174972_100103153847 [0,0,0,0,0,2|2,0,0]=4 1246 B12R1.125 CC(=O)NCc1ccncc1C 11a_100000708811_100015343762 [0,0,0,0,0,2|2,0,0]=4 1247 B12R1.125 CC(=O)NCc1ccncc1C 1626a_100000708811_100015343762 [0,0,0,0,0,2|2,0,0]=4 1248 B12R1.125 CC(=O)NCc1ccncc1C 240690a_100000708811_100015343762 [0,0,0,0,0,2|2,0,0]=4 1249 B12R1.125 CC(=O)NCc1ccncc1C 527a_100000708811_100103153847 [0,0,0,0,0,2|2,0,0]=4 1250 B12R1.125 CC(=O)NCc1cnccc1C 11a_100011997553_100015343762 [0,0,0,0,0,2|2,0,0]=4 1251 B12R1.125 CC(=O)NCc1cnccc1C 240690a_100011997553_100015343762 [0,0,0,0,0,2|2,0,0]=4 1252 B12R1.125 CC(=O)NCc1cnccc1C 527a_100011997553_100103153847 [0,0,0,0,0,2|2,0,0]=4 1253 B12R1.125 CC(=O)NCc1ncccc1C 11a_100011223789_100015343762 [0,0,0,0,0,2|2,0,0]=4 1254 B12R1.125 CC(=O)NCc1ncccc1C 1626a_100011223789_100015343762 [0,0,0,0,0,2|2,0,0]=4 1255 B12R1.125 CC(=O)NCc1ncccc1C 240690a_100011223789_100015343762 [0,0,0,0,0,2|2,0,0]=4 1256 B12R1.125 CC(=O)NCc1ncccc1C 527a_100011223789_100103153847 [0,0,0,0,0,2|2,0,0]=4 1257 B12R1.125 CC(=O)NCc1nccnc1C 11a_100020641712_100015343762 [0,0,0,0,0,2|2,0,0]=4 1258 B12R1.125 CC(=O)NCc1nccnc1C 240690a_100020641712_100015343762 [0,0,0,0,0,2|2,0,0]=4 1259 B12R1.125 CC(=O)NCc1nccnc1C 527a_100020641712_100103153847 [0,0,0,0,0,2|2,0,0]=4 1260 B12R1.125 CC(=O)NNc1ccccc1C 22a_100000184220_100000070787 [0,0,0,0,0,2|2,0,0]=4 1261 B12R1.125 CC(=O)NNc1cccnc1C 22a_100000730703_100000070787 [0,0,0,0,0,2|2,0,0]=4 1262 B12R1.125 CC(=O)NNc1ccncc1C 22a_100011935204_100000070787 [0,0,0,0,0,2|2,0,0]=4 1263 B12R1.125 CC(=O)NNc1ncccc1C 22a_100000708268_100000070787 [0,0,0,0,0,2|2,0,0]=4 1264 B12R1.125 Cc1ccccc1CCC(=O)[13CH3] 1458a_100000748742_200025704644 [0,0,0,0,0,2|2,0,0]=4 1265 B12R1.125 Cc1ccccc1OCC(=O)[13CH3] 1458a_100000182418_200025704644 [0,0,0,0,0,2|1,1,0]=4 1266 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000210755_100000747473 [0,0,0,0,0,2|2,0,0]=4 1267 B12R1.125 Cc1ccccc1SCC(=O)N 62a_100000747473_100000210755 [0,0,0,0,0,2|2,0,0]=4 1268 B12R1.125 Cc1ccccc1SCC(=O)[13CH3] 1458a_100000183026_200025704644 [0,0,0,0,0,2|1,0,0]=3 1269 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100000210755_100020667443 [0,0,0,0,0,2|2,0,0]=4 1270 B12R1.125 Cc1ccccc1SCC(=O)[O-] 62a_100020667443_100000210755 [0,0,0,0,0,2|2,0,0]=4 1271 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000747473_100000751373 [0,0,0,0,0,2|2,0,0]=4 1272 B12R1.125 Cc1cccnc1SCC(=O)N 62a_100000751373_100000747473 [0,0,0,0,0,2|2,0,0]=4 1273 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100000751373_100020667443 [0,0,0,0,0,2|2,0,0]=4 1274 B12R1.125 Cc1cccnc1SCC(=O)[O-] 62a_100020667443_100000751373 [0,0,0,0,0,2|2,0,0]=4 1275 B12R1.125 Cc1ccncc1SCC(=O)N 62a_100000747473_100000761580 [0,0,0,0,0,2|2,0,0]=4 1276 B12R1.125 Cc1ccncc1SCC(=O)N 62a_100000761580_100000747473 [0,0,0,0,0,2|2,0,0]=4 1277 B12R1.125 Cc1ccncc1SCC(=O)[O-] 62a_100000761580_100020667443 [0,0,0,0,0,2|2,0,0]=4 1278 B12R1.125 Cc1ccncc1SCC(=O)[O-] 62a_100020667443_100000761580 [0,0,0,0,0,2|2,0,0]=4 1279 B12R1.125 Cc1cnccc1SCC(=O)N 62a_100000747473_100000765111 [0,0,0,0,0,2|2,0,0]=4 1280 B12R1.125 Cc1cnccc1SCC(=O)N 62a_100000765111_100000747473 [0,0,0,0,0,2|2,0,0]=4 1281 B12R1.125 Cc1cnccc1SCC(=O)[O-] 62a_100000765111_100020667443 [0,0,0,0,0,2|2,0,0]=4 1282 B12R1.125 Cc1cnccc1SCC(=O)[O-] 62a_100020667443_100000765111 [0,0,0,0,0,2|2,0,0]=4 1283 B12R1.125 Cc1ncccc1SCC(=O)N 62a_100000747473_100000751574 [0,0,0,0,0,2|2,0,0]=4 1284 B12R1.125 Cc1ncccc1SCC(=O)N 62a_100000751574_100000747473 [0,0,0,0,0,2|2,0,0]=4 1285 B12R1.125 Cc1ncccc1SCC(=O)[O-] 62a_100000751574_100020667443 [0,0,0,0,0,2|2,0,0]=4 1286 B12R1.125 Cc1ncccc1SCC(=O)[O-] 62a_100020667443_100000751574 [0,0,0,0,0,2|2,0,0]=4 1287 B12R1.125 Cc1nccnc1SCC(=O)N 62a_100000747473_100011999405 [0,0,0,0,0,2|2,0,0]=4 1288 B12R1.125 Cc1nccnc1SCC(=O)N 62a_100011999405_100000747473 [0,0,0,0,0,2|2,0,0]=4 1289 B12R1.125 Cc1nccnc1SCC(=O)[O-] 62a_100011999405_100020667443 [0,0,0,0,0,2|2,0,0]=4 1290 B12R1.125 Cc1nccnc1SCC(=O)[O-] 62a_100020667443_100011999405 [0,0,0,0,0,2|2,0,0]=4 1291 B12R1.125 Cc1ncncc1SCC(=O)N 62a_100000747473_100009819671 [0,0,0,0,0,2|2,0,0]=4 1292 B12R1.125 Cc1ncncc1SCC(=O)N 62a_100009819671_100000747473 [0,0,0,0,0,2|2,0,0]=4 1293 B12R1.125 Cc1ncncc1SCC(=O)[O-] 62a_100009819671_100020667443 [0,0,0,0,0,2|2,0,0]=4 1294 B12R1.125 Cc1ncncc1SCC(=O)[O-] 62a_100020667443_100009819671 [0,0,0,0,0,2|2,0,0]=4 1295 B12R1.125 [13CH3]C(=O)CSc1ccccc1F 1458a_100000179528_200025704644 [0,0,0,0,0,2|2,0,0]=4 1296 B12R1.125 [13CH3]C(=O)CSc1ccccc1O 1458a_100000695322_200025704644 [0,0,0,0,0,2|2,0,0]=4 1297 B12R1.130 C=C(C)CCSc1ccsc1C 62a_100000684487_100000730704 [0,0,0,0,0,2|1,1,0]=4 1298 B12R1.130 C=C(C)CCSc1ccsc1C 62a_100000730704_100000684487 [0,0,0,0,0,2|1,1,0]=4 1299 B12R1.130 C=C(C)CCSc1cnoc1C 62a_100000730704_100009872056 [0,0,0,0,0,2|2,0,0]=4 1300 B12R1.130 C=C(C)CCSc1cnoc1C 62a_100009872056_100000730704 [0,0,0,0,0,2|2,0,0]=4 1301 B12R1.130 C=C(C)COCc1ccoc1C 34a_100011219433_100000748629 [0,0,0,0,0,2|1,1,0]=4 1302 B12R1.130 C=C(C)COCc1ccoc1C 7a_100011219433_100000748629 [0,0,0,0,0,2|1,1,0]=4 1303 B12R1.130 C=C(C)CSCc1ncoc1C 62a_100000748629_200000693990 [0,0,0,0,0,2|2,0,0]=4 1304 B12R1.130 C=C(C)CSCc1ncoc1C 62a_200000693990_100000211660 [0,0,0,0,0,2|2,0,0]=4 1305 B12R1.130 CC(=CCSc1ccsc1C)C 62a_100000684487_100000761012 [0,0,0,0,0,2|1,1,0]=4 1306 B12R1.130 CC(=CCSc1ccsc1C)C 62a_100000761012_100000684487 [0,0,0,0,0,2|1,1,0]=4 1307 B12R1.130 CC(=CCSc1cnoc1C)C 62a_100000761012_100009872056 [0,0,0,0,0,2|2,0,0]=4 1308 B12R1.130 CC(=CCSc1cnoc1C)C 62a_100009872056_100000761012 [0,0,0,0,0,2|2,0,0]=4 1309 B12R1.130 CC(=O)CCSc1c[nH]nc1C 62a_100000053229_100000692133 [0,0,0,0,0,2|2,0,0]=4 1310 B12R1.130 CC(=O)CCSc1c[nH]nc1C 62a_100000692133_100000053229 [0,0,0,0,0,2|2,0,0]=4 1311 B12R1.130 CC(=O)CCSc1ccnn1C 62a_100000053229_100000688441 [0,0,0,0,0,2|2,0,0]=4 1312 B12R1.130 CC(=O)CCSc1ccnn1C 62a_100000688441_100000053229 [0,0,0,0,0,2|2,0,0]=4 1313 B12R1.130 CC(=O)CCSc1ccsc1C 62a_100000053229_100000684487 [0,0,0,0,0,2|0,1,0]=3 1314 B12R1.130 CC(=O)CCSc1ccsc1C 62a_100000684487_100000053229 [0,0,0,0,0,2|0,1,0]=3 1315 B12R1.130 CC(=O)CCSc1cnoc1C 62a_100000053229_100009872056 [0,0,0,0,0,2|1,0,0]=3 1316 B12R1.130 CC(=O)CCSc1cnoc1C 62a_100009872056_100000053229 [0,0,0,0,0,2|1,0,0]=3 1317 B12R1.130 CC(=O)CCSc1cscc1C 62a_100000053229_100000759966 [0,0,0,0,0,2|2,0,0]=4 1318 B12R1.130 CC(=O)CCSc1cscc1C 62a_100000759966_100000053229 [0,0,0,0,0,2|2,0,0]=4 1319 B12R1.130 CC(=O)CCSc1nc[nH]c1C 62a_100000053229_100010186451 [0,0,0,0,0,2|2,0,0]=4 1320 B12R1.130 CC(=O)CCSc1nc[nH]c1C 62a_100010186451_100000053229 [0,0,0,0,0,2|2,0,0]=4 1321 B12R1.130 CC(=O)CCSc1ncsc1C 62a_100000053229_100000732656 [0,0,0,0,0,2|1,1,0]=4 1322 B12R1.130 CC(=O)CCSc1ncsc1C 62a_100000732656_100000053229 [0,0,0,0,0,2|1,1,0]=4 1323 B12R1.130 CC(=O)CCSc1sccc1C 62a_100000053229_100010247149 [0,0,0,0,0,2|2,0,0]=4 1324 B12R1.130 CC(=O)CCSc1sccc1C 62a_100010247149_100000053229 [0,0,0,0,0,2|2,0,0]=4 1325 B12R1.130 CC(=O)CCSc1scnc1C 62a_100000053229_100009817116 [0,0,0,0,0,2|2,0,0]=4 1326 B12R1.130 CC(=O)CCSc1scnc1C 62a_100009817116_100000053229 [0,0,0,0,0,2|2,0,0]=4 1327 B12R1.130 CC(=O)COCc1ncoc1C 34a_100000211253_200000693990 [0,0,0,0,0,2|1,1,0]=4 1328 B12R1.130 CC(=O)OCSc1c[nH]nc1C 62a_100000076356_100000692133 [0,0,0,0,0,2|2,0,0]=4 1329 B12R1.130 CC(=O)OCSc1c[nH]nc1C 62a_100000692133_100000076356 [0,0,0,0,0,2|2,0,0]=4 1330 B12R1.130 CC(=O)OCSc1ccnn1C 62a_100000076356_100000688441 [0,0,0,0,0,2|2,0,0]=4 1331 B12R1.130 CC(=O)OCSc1ccnn1C 62a_100000688441_100000076356 [0,0,0,0,0,2|2,0,0]=4 1332 B12R1.130 CC(=O)OCSc1ccsc1C 62a_100000076356_100000684487 [0,0,0,0,0,2|0,1,0]=3 1333 B12R1.130 CC(=O)OCSc1ccsc1C 62a_100000684487_100000076356 [0,0,0,0,0,2|0,1,0]=3 1334 B12R1.130 CC(=O)OCSc1cnoc1C 62a_100000076356_100009872056 [0,0,0,0,0,2|1,0,0]=3 1335 B12R1.130 CC(=O)OCSc1cnoc1C 62a_100009872056_100000076356 [0,0,0,0,0,2|1,0,0]=3 1336 B12R1.130 CC(=O)OCSc1cscc1C 62a_100000076356_100000759966 [0,0,0,0,0,2|2,0,0]=4 1337 B12R1.130 CC(=O)OCSc1cscc1C 62a_100000759966_100000076356 [0,0,0,0,0,2|2,0,0]=4 1338 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100000076356_100010186451 [0,0,0,0,0,2|2,0,0]=4 1339 B12R1.130 CC(=O)OCSc1nc[nH]c1C 62a_100010186451_100000076356 [0,0,0,0,0,2|2,0,0]=4 1340 B12R1.130 CC(=O)OCSc1ncsc1C 62a_100000076356_100000732656 [0,0,0,0,0,2|1,1,0]=4 1341 B12R1.130 CC(=O)OCSc1ncsc1C 62a_100000732656_100000076356 [0,0,0,0,0,2|1,1,0]=4 1342 B12R1.130 CC(=O)OCSc1sccc1C 62a_100000076356_100010247149 [0,0,0,0,0,2|2,0,0]=4 1343 B12R1.130 CC(=O)OCSc1sccc1C 62a_100010247149_100000076356 [0,0,0,0,0,2|2,0,0]=4 1344 B12R1.130 CC(=O)OCSc1scnc1C 62a_100000076356_100009817116 [0,0,0,0,0,2|2,0,0]=4 1345 B12R1.130 CC(=O)OCSc1scnc1C 62a_100009817116_100000076356 [0,0,0,0,0,2|2,0,0]=4 1346 B12R1.130 Cc1occc1COCC(=O)N 34a_100011219433_100000187820 [0,0,0,0,0,2|1,1,0]=4 1347 B12R1.130 Cc1occc1COCC(=O)N 7a_100011219433_100000187820 [0,0,0,0,0,2|1,1,0]=4 1348 B12R1.130 Cc1occc1COCC(=O)[O-] 34a_100011219433_100020667443 [0,0,0,0,0,2|1,1,0]=4 1349 B12R1.130 Cc1ocnc1CSCC(=O)N 62a_100000747473_200000693990 [0,0,0,0,0,2|2,0,0]=4 1350 B12R1.130 Cc1ocnc1CSCC(=O)N 62a_200000693990_100000747473 [0,0,0,0,0,2|2,0,0]=4 1351 B12R1.130 Cc1ocnc1CSCC(=O)[O-] 62a_100020667443_200000693990 [0,0,0,0,0,2|2,0,0]=4 1352 B12R1.130 Cc1ocnc1CSCC(=O)[O-] 62a_200000693990_100020667443 [0,0,0,0,0,2|2,0,0]=4 1353 B12R1.130 Cc1oncc1SCCC(=O)N 62a_100000744528_100009872056 [0,0,0,0,0,2|2,0,0]=4 1354 B12R1.130 Cc1oncc1SCCC(=O)N 62a_100009872056_100000744528 [0,0,0,0,0,2|2,0,0]=4 1355 B12R1.130 Cc1sccc1SCCC(=O)N 62a_100000684487_100000744528 [0,0,0,0,0,2|1,1,0]=4 1356 B12R1.130 Cc1sccc1SCCC(=O)N 62a_100000744528_100000684487 [0,0,0,0,0,2|1,1,0]=4 1357 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100000748629_100011215228 [0,0,0,0,0,2|2,0,0]=4 1358 B12R1.226 C=C(C)CSc1cccc(c1)C 62a_100011215228_100000211660 [0,0,0,0,0,2|2,0,0]=4 1359 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000742759_100000211660 [0,0,0,0,0,2|2,0,0]=4 1360 B12R1.226 C=C(C)CSc1cccc(n1)C 62a_100000748629_100000742759 [0,0,0,0,0,2|2,0,0]=4 1361 B12R1.226 C=C(C)CSc1ccnc(c1)C 62a_100000748629_100000758586 [0,0,0,0,0,2|2,0,0]=4 1362 B12R1.226 C=C(C)CSc1ccnc(c1)C 62a_100000758586_100000211660 [0,0,0,0,0,2|2,0,0]=4 1363 B12R1.226 C=C(C)CSc1ccnc(n1)C 62a_100000748629_100000749937 [0,0,0,0,0,2|2,0,0]=4 1364 B12R1.226 C=C(C)CSc1ccnc(n1)C 62a_100000749937_100000211660 [0,0,0,0,0,2|2,0,0]=4 1365 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,0,0,0,0,2|2,0,0]=4 1366 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,0,0,0,0,2|2,0,0]=4 1367 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,0,0,0,0,2|2,0,0]=4 1368 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,0,0,0,0,2|2,0,0]=4 1369 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,0,0,0,0,2|1,1,0]=4 1370 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [0,0,0,0,0,2|2,0,0]=4 1371 B12R1.226 CC(=O)CSc1nccc(n1)C 1458a_200000179490_200000210301 [0,0,0,0,0,2|2,0,0]=4 1372 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 1373 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 1374 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 1375 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,0,0,0,0,2|2,0,0]=4 1376 B12R1.226 CC(=O)NCc1cccc(n1)C 11a_100000701342_100015343762 [0,0,0,0,0,2|2,0,0]=4 1377 B12R1.226 CC(=O)NCc1cccc(n1)C 1626a_100000701342_100015343762 [0,0,0,0,0,2|2,0,0]=4 1378 B12R1.226 CC(=O)NCc1cccc(n1)C 240690a_100000701342_100015343762 [0,0,0,0,0,2|2,0,0]=4 1379 B12R1.226 CC(=O)NCc1cccc(n1)C 527a_100000701342_100103153847 [0,0,0,0,0,2|2,0,0]=4 1380 B12R1.226 CC(=O)NCc1ccnc(c1)C 11a_100011934566_100015343762 [0,0,0,0,0,2|2,0,0]=4 1381 B12R1.226 CC(=O)NCc1ccnc(c1)C 1626a_100011934566_100015343762 [0,0,0,0,0,2|2,0,0]=4 1382 B12R1.226 CC(=O)NCc1ccnc(c1)C 240690a_100011934566_100015343762 [0,0,0,0,0,2|2,0,0]=4 1383 B12R1.226 CC(=O)NCc1ccnc(c1)C 527a_100011934566_100103153847 [0,0,0,0,0,2|2,0,0]=4 1384 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,0,0,0,0,2|2,0,0]=4 1385 B12R1.226 CC(=O)NNc1cccc(n1)C 22a_100011363444_100000070787 [0,0,0,0,0,2|2,0,0]=4 1386 B12R1.226 Cc1cc(ccn1)SCC(=O)N 62a_100000747473_100000758586 [0,0,0,0,0,2|2,0,0]=4 1387 B12R1.226 Cc1cc(ccn1)SCC(=O)N 62a_100000758586_100000747473 [0,0,0,0,0,2|2,0,0]=4 1388 B12R1.226 Cc1cc(ccn1)SCC(=O)[O-] 62a_100000758586_100020667443 [0,0,0,0,0,2|2,0,0]=4 1389 B12R1.226 Cc1cc(ccn1)SCC(=O)[O-] 62a_100020667443_100000758586 [0,0,0,0,0,2|2,0,0]=4 1390 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,0,0,0,0,2|2,0,0]=4 1391 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,0,0,0,0,2|2,0,0]=4 1392 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,0,0,0,0,2|2,0,0]=4 1393 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,0,0,0,0,2|1,1,0]=4 1394 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,0,0,0,0,2|2,0,0]=4 1395 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,0,0,0,0,2|2,0,0]=4 1396 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,0,0,0,0,2|2,0,0]=4 1397 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,0,0,0,0,2|2,0,0]=4 1398 B12R1.226 Cc1cccc(n1)SCC(=O)N 62a_100000742759_100000747473 [0,0,0,0,0,2|2,0,0]=4 1399 B12R1.226 Cc1cccc(n1)SCC(=O)N 62a_100000747473_100000742759 [0,0,0,0,0,2|2,0,0]=4 1400 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100000742759_100020667443 [0,0,0,0,0,2|2,0,0]=4 1401 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100020667443_100000742759 [0,0,0,0,0,2|2,0,0]=4 1402 B12R1.226 Cc1ccnc(n1)SCC(=O)[13CH3] 1458a_200000179490_200025704644 [0,0,0,0,0,2|2,0,0]=4 1403 B12R1.226 Cc1nccc(n1)SCC(=O)N 62a_100000747473_100000749937 [0,0,0,0,0,2|2,0,0]=4 1404 B12R1.226 Cc1nccc(n1)SCC(=O)N 62a_100000749937_100000747473 [0,0,0,0,0,2|2,0,0]=4 1405 B12R1.226 Cc1nccc(n1)SCC(=O)[O-] 62a_100000749937_100020667443 [0,0,0,0,0,2|2,0,0]=4 1406 B12R1.226 Cc1nccc(n1)SCC(=O)[O-] 62a_100020667443_100000749937 [0,0,0,0,0,2|2,0,0]=4 1407 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [0,0,0,0,0,2|2,0,0]=4