0 B8R1.11 C=Cc1c[nH]nc1C 271570a_100011290941_100011912673 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.11 C=Cc1cnoc1C 271570a_100011290941_100009872056 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.11 C=Cc1cscc1Br 271570a_100011290941_100010143727 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.11 C=Cc1cscc1C 271570a_100011290941_100000759966 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.11 C=Cc1n[nH]cc1C 271570a_100011290941_100009871783 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.11 C=Cc1nc[nH]c1C 271570a_100011290941_100009816806 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.11 C=Cc1ncnn1C 271570a_100011290941_100000732653 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.11 C=Cc1ncsc1C 271570a_100011290941_100000732656 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.11 C=Cc1scnc1C 271570a_100011290941_100009817116 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [0,0,0,0,0,0|1,0,3]=4 16 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [0,0,0,0,0,0|1,0,3]=4 17 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [0,0,0,0,0,0|1,0,3]=4 18 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [0,0,0,0,0,0|1,0,3]=4 19 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [0,0,0,0,0,0|1,0,3]=4 20 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [0,0,0,0,0,0|1,0,3]=4 21 B8R1.11 CNc1ncnn1C 27a_100102657272_100000732653 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.11 CSc1ncnn1C 62a_100000732653_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.11 CSc1ncnn1C 62a_200000210301_100000732653 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.11 Cn1ncnc1S[13CH3] 62a_100000732653_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.11 Cn1ncnc1S[13CH3] 62a_200025704644_100000732653 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,0,0,0|2,0,1]=4 68 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [1,0,0,0,0,0|2,0,1]=4 82 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [1,0,0,0,0,0|2,0,1]=4 83 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [1,0,0,0,0,0|1,0,1]=3 85 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [1,0,0,0,0,0|1,0,1]=3 86 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [1,0,0,0,0,0|1,0,1]=3 87 B7R1.4 Cn1ncnc1O 271570a_203496583355_100000732653 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.14 C=Cc1ccnn1CC 271570a_100011290941_100000728327 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.14 C=Cc1ccoc1C=O 271570a_100011290941_100000756499 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.14 C=Cc1ccsc1C=O 271570a_100011290941_100000766043 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.14 C=Cc1ccsc1CO 271570a_100011290941_100000702026 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.14 C=Cc1ccsc1SC 271570a_100011290941_200010341309 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.14 C=Cc1cscc1C=O 271570a_100011290941_100000685484 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.14 C=Cc1cscc1CC 271570a_100011290941_100011068457 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.14 C=Cc1cscc1CO 271570a_100011290941_100000724555 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.14 C=Cc1nccn1CC 271570a_100011290941_100011617267 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.14 C=Cc1ncnn1CC 271570a_100011290941_100009879425 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.14 C=Cc1sccc1C=O 271570a_100011290941_100009816921 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.14 C=Cc1sccc1CC 271570a_100011290941_200009875468 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.14 C=Cc1sccc1CN 271570a_100011290941_100000727803 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.14 C=Cc1sccc1CO 271570a_100011290941_100009816922 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.14 CCn1ccnc1SC 62a_100011617267_200000210301 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.14 CCn1ccnc1SC 62a_200000210301_100011617267 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.14 CCn1ccnc1S[13CH3] 62a_100011617267_200025704644 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.14 CCn1ccnc1S[13CH3] 62a_200025704644_100011617267 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.14 CCn1nccc1SC 62a_100000728327_200000210301 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.14 CCn1nccc1SC 62a_200000210301_100000728327 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.14 CCn1nccc1S[13CH3] 62a_100000728327_200025704644 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.14 CCn1nccc1S[13CH3] 62a_200025704644_100000728327 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.14 CSc1[nH]cnc1C=O 62a_100015192532_200000210301 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.14 CSc1[nH]cnc1C=O 62a_200000210301_100015192532 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.14 CSc1ccoc1C=O 62a_100000756499_200000210301 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.14 CSc1ccoc1C=O 62a_200000210301_100000756499 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.14 CSc1ccsc1C=O 62a_100000766043_200000210301 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.14 CSc1ccsc1C=O 62a_200000210301_100000766043 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.14 CSc1cn[nH]c1C=O 62a_100000732679_200000210301 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.14 CSc1cn[nH]c1C=O 62a_200000210301_100000732679 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.14 CSc1cscc1C=O 62a_100000685484_200000210301 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.14 CSc1cscc1C=O 62a_200000210301_100000685484 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.14 CSc1sccc1C=O 62a_100009816921_200000210301 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.14 CSc1sccc1C=O 62a_200000210301_100009816921 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_100015192532_200025704644 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.14 [13CH3]Sc1[nH]cnc1C=O 62a_200025704644_100015192532 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_100000756499_200025704644 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.14 [13CH3]Sc1ccoc1C=O 62a_200025704644_100000756499 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_100000766043_200025704644 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.14 [13CH3]Sc1ccsc1C=O 62a_200025704644_100000766043 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.14 [13CH3]Sc1cn[nH]c1C=O 62a_100000732679_200025704644 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.14 [13CH3]Sc1cn[nH]c1C=O 62a_200025704644_100000732679 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.14 [13CH3]Sc1cscc1C=O 62a_100000685484_200025704644 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.14 [13CH3]Sc1cscc1C=O 62a_200025704644_100000685484 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.14 [13CH3]Sc1sccc1C=O 62a_100009816921_200025704644 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.14 [13CH3]Sc1sccc1C=O 62a_200025704644_100009816921 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.22 C=Cc1cc(nn1C)C 271570a_100011290941_100009818511 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.22 C=Cc1cc(nn1C)N 271570a_100011290941_100116209741 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.22 C=Cc1cc(sc1C)C 271570a_100011290941_100000688054 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.22 C=Cc1nc(cn1C)C 271570a_100011290941_100009816808 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.22 C=Cc1sc(cc1C)C 271570a_100011290941_100000689295 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.22 COc1cc(nn1C)C 34a_100000738638_200000210301 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.22 CSc1cc(nn1C)C 62a_100009818511_200000210301 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.22 CSc1cc(nn1C)C 62a_200000210301_100009818511 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.22 CSc1cc(nn1C)N 62a_100116209741_200000210301 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.22 CSc1cc(nn1C)N 62a_200000210301_100116209741 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.22 CSc1nc(cn1C)C 62a_100009816808_200000210301 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.22 CSc1nc(cn1C)C 62a_200000210301_100009816808 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.22 Cc1cc(n(n1)C)O[13CH3] 34a_100000738638_200025704644 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_100009818511_200025704644 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_200025704644_100009818511 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_100009816808_200025704644 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_200025704644_100009816808 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.22 Cc1nc(sc1C=O)O 271570a_203496583355_100010339034 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.22 Cc1oc(nc1C=O)O 271570a_203496583355_200010262729 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.22 Cn1cc(cc1C#N)O 271570a_203496583355_100009830613 [0,1,0,0,0,0|1,0,1]=3 158 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_100116209741_200025704644 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.22 Cn1nc(cc1S[13CH3])N 62a_200025704644_100116209741 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.27 C=Cc1c(nnn1C)C 271570a_100011290941_100016037793 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.27 CCc1c(cnn1C)O 271570a_203496583355_200010713286 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.27 Cn1cnc(c1C=O)O 271570a_203496583355_200000040309 [0,1,0,0,0,0|1,0,0]=2 163 B9R1.27 Cn1ncc(c1C#N)O 271570a_203496583355_100000238715 [0,1,0,0,0,0|2,0,1]=4 164 B9R1.27 Cn1ncc(c1C=O)O 271570a_203496583355_100000763672 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.27 Cn1ncc(c1CO)O 271570a_203496583355_100012039568 [0,1,0,0,0,0|1,0,2]=4 166 B9R1.33 C=C=Cc1ccnn1C 271570a_100015277604_100000688441 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.33 C=C=Cc1ccsc1C 271570a_100015277604_100000684487 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.33 C=C=Cc1cncn1C 271570a_100015277604_100009814087 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.33 C=C=Cc1cscc1C 271570a_100015277604_100000759966 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.33 C=C=Cc1nccn1C 271570a_100015277604_100000707724 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.33 C=C=Cc1ncnn1C 271570a_100015277604_100000732653 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.33 C=C=Cc1sccc1C 271570a_100015277604_100000742657 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.33 CC=Cc1ccnn1C 271570a_100016259895_100000688441 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.33 CC=Cc1ccsc1C 271570a_100016259895_100000684487 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.33 CC=Cc1cncn1C 271570a_100016259895_100009814087 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.33 CC=Cc1cscc1C 271570a_100016259895_100000759966 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.33 CC=Cc1nccn1C 271570a_100016259895_100000707724 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.33 CC=Cc1ncnn1C 271570a_100016259895_100000732653 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.33 CC=Cc1sccc1C 271570a_100016259895_100000742657 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.33 CCOc1ccnn1C 34a_100020632926_100000210202 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.33 CCSc1ccnn1C 62a_100000210202_100000688441 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.33 CCSc1ccnn1C 62a_100000688441_100000210202 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.33 CCSc1cncn1C 62a_100000210202_100009814087 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.33 CCSc1cncn1C 62a_100009814087_100000210202 [0,1,0,0,0,0|2,0,1]=4 185 B9R1.33 CCSc1nccn1C 62a_100000210202_100000707724 [0,1,0,0,0,0|2,0,1]=4 186 B9R1.33 CCSc1nccn1C 62a_100000707724_100000210202 [0,1,0,0,0,0|2,0,1]=4 187 B9R1.33 CNCc1cccn1C 270004a_106832991635_100000211633 [0,1,0,0,0,0|1,0,1]=3 188 B9R1.33 CNCc1cccn1C 34a_100011219357_200000210301 [0,1,0,0,0,0|1,0,1]=3 189 B9R1.33 CNCc1ccnn1C 207a_100102657272_100000737161 [0,1,0,0,0,0|2,0,1]=4 190 B9R1.33 CNCc1ccnn1C 2230a_106832991635_100000691648 [0,1,0,0,0,0|2,0,1]=4 191 B9R1.33 CNCc1ccnn1C 270004a_106832991635_100000737161 [0,1,0,0,0,0|2,0,1]=4 192 B9R1.33 CNCc1ccnn1C 34a_100025706696_200000210301 [0,1,0,0,0,0|2,0,1]=4 193 B9R1.33 CNCc1ccnn1C 34a_100102657272_100000691648 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.33 CNCc1ccnn1C 7a_106832991635_100000691648 [0,1,0,0,0,0|2,0,1]=4 195 B9R1.33 CNCc1cncn1C 207a_100102657272_100000750899 [0,1,0,0,0,0|2,0,1]=4 196 B9R1.33 CNCc1cncn1C 270004a_106832991635_100000750899 [0,1,0,0,0,0|2,0,1]=4 197 B9R1.33 CNCc1nccn1C 207a_100102657272_100000748660 [0,1,0,0,0,0|2,0,1]=4 198 B9R1.33 CNCc1nccn1C 2230a_100015186572_200000210301 [0,1,0,0,0,0|2,0,1]=4 199 B9R1.33 CNCc1nccn1C 2230a_106832991635_100000700302 [0,1,0,0,0,0|2,0,1]=4 200 B9R1.33 CNCc1nccn1C 270004a_106832991635_100000748660 [0,1,0,0,0,0|2,0,1]=4 201 B9R1.33 CNCc1nccn1C 34a_100102657272_100000700302 [0,1,0,0,0,0|2,0,1]=4 202 B9R1.33 CNCc1nccn1C 7a_106832991635_100000700302 [0,1,0,0,0,0|2,0,1]=4 203 B9R1.33 COCc1ccnn1C 34a_100000684702_200000210301 [0,1,0,0,0,0|1,0,2]=4 204 B9R1.33 COCc1ccnn1C 34a_100138415774_100000691648 [0,1,0,0,0,0|1,0,2]=4 205 B9R1.33 COCc1nccn1C 34a_100138415774_100000700302 [0,1,0,0,0,0|1,0,2]=4 206 B9R1.33 COCc1nccn1C 7a_100000691215_200000210301 [0,1,0,0,0,0|1,0,2]=4 207 B9R1.33 CSCc1ccnn1C 62a_100000691648_200000210301 [0,1,0,0,0,0|1,1,1]=4 208 B9R1.33 CSCc1ccnn1C 62a_200000210301_100000691648 [0,1,0,0,0,0|1,1,1]=4 209 B9R1.33 CSCc1nccn1C 62a_100000700302_200000210301 [0,1,0,0,0,0|1,1,1]=4 210 B9R1.33 CSCc1nccn1C 62a_200000210301_100000700302 [0,1,0,0,0,0|1,1,1]=4 211 B9R1.33 Cn1cccc1CN[13CH3] 34a_100011219357_200025704644 [0,1,0,0,0,0|1,0,1]=3 212 B9R1.33 Cn1ccnc1CN[13CH3] 2230a_100015186572_200025704644 [0,1,0,0,0,0|2,0,1]=4 213 B9R1.33 Cn1ccnc1CO[13CH3] 7a_100000691215_200025704644 [0,1,0,0,0,0|1,0,2]=4 214 B9R1.33 Cn1ccnc1CS[13CH3] 62a_100000700302_200025704644 [0,1,0,0,0,0|1,1,1]=4 215 B9R1.33 Cn1ccnc1CS[13CH3] 62a_200025704644_100000700302 [0,1,0,0,0,0|1,1,1]=4 216 B9R1.33 Cn1ccnc1SCF 62a_100000707724_100015361967 [0,1,0,0,0,0|2,0,1]=4 217 B9R1.33 Cn1ccnc1SCF 62a_100015361967_100000707724 [0,1,0,0,0,0|2,0,1]=4 218 B9R1.33 Cn1cncc1SCF 62a_100009814087_100015361967 [0,1,0,0,0,0|2,0,1]=4 219 B9R1.33 Cn1cncc1SCF 62a_100015361967_100009814087 [0,1,0,0,0,0|2,0,1]=4 220 B9R1.33 Cn1nccc1CN[13CH3] 34a_100025706696_200025704644 [0,1,0,0,0,0|2,0,1]=4 221 B9R1.33 Cn1nccc1CO[13CH3] 34a_100000684702_200025704644 [0,1,0,0,0,0|1,0,2]=4 222 B9R1.33 Cn1nccc1CS[13CH3] 62a_100000691648_200025704644 [0,1,0,0,0,0|1,1,1]=4 223 B9R1.33 Cn1nccc1CS[13CH3] 62a_200025704644_100000691648 [0,1,0,0,0,0|1,1,1]=4 224 B9R1.33 Cn1nccc1OCF 34a_100020632926_100015361967 [0,1,0,0,0,0|2,0,1]=4 225 B9R1.33 Cn1nccc1SCF 62a_100000688441_100015361967 [0,1,0,0,0,0|2,0,1]=4 226 B9R1.33 Cn1nccc1SCF 62a_100015361967_100000688441 [0,1,0,0,0,0|2,0,1]=4 227 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.41 C=C(C)c1cncn1C 271570a_100000694244_100009814087 [0,1,0,0,0,0|2,0,0]=3 230 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.41 C=C(C)c1ncnn1C 271570a_100000694244_100000732653 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,0,0,0|0,0,2]=3 236 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,0,0,0|0,0,2]=3 238 B9R1.132 C=Cc1cnc(n1C)C 271570a_100011290941_100000762843 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.132 C=Cc1csc(c1C)C 271570a_100011290941_100009820295 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.132 C=Cc1ncc(n1C)C 271570a_100011290941_100009816807 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.132 CSc1cnc(n1C)C 62a_100000762843_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B9R1.132 CSc1cnc(n1C)C 62a_200000210301_100000762843 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.132 CSc1ncc(n1C)C 62a_100009816807_200000210301 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.132 CSc1ncc(n1C)C 62a_200000210301_100009816807 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_100009816807_200025704644 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.132 Cc1cnc(n1C)S[13CH3] 62a_200025704644_100009816807 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_100000762843_200025704644 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.132 Cc1ncc(n1C)S[13CH3] 62a_200025704644_100000762843 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.132 Cn1c(cnc1C=O)O 271570a_203496583355_200009816901 [0,1,0,0,0,0|1,0,0]=2 250 B9R1.132 Cn1c(cnc1CO)O 271570a_203496583355_100009817024 [0,1,0,0,0,0|1,0,2]=4 251 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [0,0,1,0,0,0|2,0,1]=4 252 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [0,0,1,0,0,0|2,0,1]=4 253 B7R0.7 C=CCN(C)CC=C 2230a_100000210471_200000210301 [0,0,1,0,0,0|1,0,2]=4 254 B7R0.7 C=CCN(C)CC=C 2230a_100000225617_100000210623 [0,0,1,0,0,0|1,0,2]=4 255 B7R0.7 C=CCN(C)CC=C 269982a_100000210471_200000210301 [0,0,1,0,0,0|1,0,2]=4 256 B7R0.7 C=CCN(C)CC=C 269982a_100000225617_100000210623 [0,0,1,0,0,0|1,0,2]=4 257 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,0,1,0,0,0|0,0,2]=3 258 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,0,1,0,0,0|0,0,2]=3 259 B7R0.7 C=CCN([13CH3])CC=C 2230a_100000210471_200025704644 [0,0,1,0,0,0|1,0,2]=4 260 B7R0.7 C=CCN([13CH3])CC=C 269982a_100000210471_200025704644 [0,0,1,0,0,0|1,0,2]=4 261 B7R0.15 CN(C)C(C=O)C=O 2230a_100102631434_100000736813 [0,0,1,0,0,0|1,0,2]=4 262 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [0,0,0,0,0,1|3,0,0]=4 263 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [0,0,0,0,0,1|1,0,1]=3 264 B9R1.2 C=Cc1ccc[n+](c1)[O-] 271570a_100011290941_100009815978 [0,0,0,0,0,1|2,0,1]=4 265 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [0,0,0,0,0,1|2,0,0]=3 268 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [0,0,0,0,0,1|3,0,0]=4 269 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [0,0,0,0,0,1|3,0,0]=4 270 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [0,0,0,0,0,1|3,0,0]=4 271 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [0,0,0,0,0,1|3,0,0]=4 272 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [0,0,0,0,0,1|3,0,0]=4 273 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [0,0,0,0,0,1|3,0,0]=4 274 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [0,0,0,0,0,1|2,0,0]=3 275 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [0,0,0,0,0,1|3,0,0]=4 278 B9R1.2 C=Cc1ccnc(n1)C 271570a_100011290941_100000749937 [0,0,0,0,0,1|3,0,0]=4 279 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [0,0,0,0,0,1|3,0,0]=4 280 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [0,0,0,0,0,1|3,0,0]=4 281 B9R1.2 C=Cc1nccc(n1)C 271570a_100011290941_100011243806 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,0,0,0,0,1|3,0,0]=4 284 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,0,0,0,0,1|3,0,0]=4 285 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,0,0,0,0,1|3,0,0]=4 286 B9R1.2 CSc1ccc[n+](c1)C 62a_100009996589_200000210301 [0,0,0,0,0,1|2,0,1]=4 287 B9R1.2 CSc1ccc[n+](c1)C 62a_200000210301_100009996589 [0,0,0,0,0,1|2,0,1]=4 288 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,0,0,0,0,1|3,0,0]=4 289 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,0,0,0,0,1|3,0,0]=4 290 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_100009996589_200025704644 [0,0,0,0,0,1|2,0,1]=4 293 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_200025704644_100009996589 [0,0,0,0,0,1|2,0,1]=4 294 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,0,0,0,0,1|3,0,0]=4 295 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,0,0,0,0,1|3,0,0]=4 297 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,0,0,0,0,1|3,0,0]=4 300 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,0,0,0,0,1|3,0,0]=4 301 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,0,0,0,0,1|3,0,0]=4 302 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [0,0,0,0,0,1|3,0,0]=4 303 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [0,0,0,0,0,1|2,0,0]=3 304 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [0,0,0,0,0,1|2,0,0]=3 305 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.15 C=Cc1c[nH]ccc1=O 271570a_100011290941_100009998708 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.15 C=Cc1c[nH]ccc1=S 271570a_100011290941_200012280681 [0,0,0,0,0,1|3,0,0]=4 309 B9R1.15 C=Cc1ccc[nH]c1=O 271570a_100011290941_100000050042 [0,0,0,0,0,1|3,0,0]=4 310 B9R1.15 C=Cc1cccc[n+]1C 271570a_100011290941_100000212160 [0,0,0,0,0,1|1,0,1]=3 311 B9R1.15 C=Cc1cccc[n+]1[O-] 271570a_100011290941_200000042595 [0,0,0,0,0,1|2,0,1]=4 312 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [0,0,0,0,0,1|3,0,0]=4 313 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [0,0,0,0,0,1|2,0,0]=3 314 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [0,0,0,0,0,1|3,0,0]=4 315 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [0,0,0,0,0,1|3,0,0]=4 316 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [0,0,0,0,0,1|3,0,0]=4 317 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.15 C=Cc1cccnc1Br 271570a_100011290941_100010202626 [0,0,0,0,0,1|3,0,0]=4 319 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [0,0,0,0,0,1|2,0,0]=3 320 B9R1.15 C=Cc1cccnc1Cl 271570a_100011290941_100000036424 [0,0,0,0,0,1|3,0,0]=4 321 B9R1.15 C=Cc1cccnc1F 271570a_100011290941_100009816115 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.15 C=Cc1ccncc1Br 271570a_100011290941_100000726257 [0,0,0,0,0,1|3,0,0]=4 324 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [0,0,0,0,0,1|2,0,0]=3 325 B9R1.15 C=Cc1ccncc1Cl 271570a_100011290941_100000708259 [0,0,0,0,0,1|3,0,0]=4 326 B9R1.15 C=Cc1ccncc1F 271570a_100011290941_100000047030 [0,0,0,0,0,1|3,0,0]=4 327 B9R1.15 C=Cc1ccncc1N 271570a_100011290941_100009815883 [0,0,0,0,0,1|3,0,0]=4 328 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [0,0,0,0,0,1|3,0,0]=4 329 B9R1.15 C=Cc1cnccc1Br 271570a_100011290941_100010138639 [0,0,0,0,0,1|3,0,0]=4 330 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [0,0,0,0,0,1|2,0,0]=3 331 B9R1.15 C=Cc1cnccc1Cl 271570a_100011290941_100009995489 [0,0,0,0,0,1|3,0,0]=4 332 B9R1.15 C=Cc1cnccc1F 271570a_100011290941_100009820683 [0,0,0,0,0,1|3,0,0]=4 333 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [0,0,0,0,0,1|3,0,0]=4 334 B9R1.15 C=Cc1cncnc1C 271570a_100011290941_100009819671 [0,0,0,0,0,1|3,0,0]=4 335 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [0,0,0,0,0,1|3,0,0]=4 336 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [0,0,0,0,0,1|2,0,0]=3 337 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [0,0,0,0,0,1|3,0,0]=4 338 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [0,0,0,0,0,1|3,0,0]=4 339 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [0,0,0,0,0,1|3,0,0]=4 340 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [0,0,0,0,0,1|3,0,0]=4 341 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [0,0,0,0,0,1|3,0,0]=4 342 B9R1.15 C=Cc1ncncc1C 271570a_100011290941_100011998708 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.15 C=Cc1nnccc1C 271570a_100011290941_100000089043 [0,0,0,0,0,1|3,0,0]=4 344 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [0,0,0,0,0,1|3,0,0]=4 345 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [0,0,0,0,0,1|3,0,0]=4 346 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [0,0,0,0,0,1|3,0,0]=4 349 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [0,0,0,0,0,1|3,0,0]=4 351 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [0,0,0,0,0,1|3,0,0]=4 352 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [0,0,0,0,0,1|3,0,0]=4 353 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [0,0,0,0,0,1|2,0,1]=4 354 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [0,0,0,0,0,1|3,0,0]=4 355 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [0,0,0,0,0,1|3,0,0]=4 356 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [0,0,0,0,0,1|3,0,0]=4 357 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [0,0,0,0,0,1|3,0,0]=4 359 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [0,0,0,0,0,1|3,0,0]=4 360 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [0,0,0,0,0,1|3,0,0]=4 361 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [0,0,0,0,0,1|3,0,0]=4 362 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [0,0,0,0,0,1|3,0,0]=4 363 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [0,0,0,0,0,1|3,0,0]=4 364 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [0,0,0,0,0,1|2,0,1]=4 365 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [0,0,0,0,0,1|3,0,0]=4 366 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [0,0,0,0,0,1|3,0,0]=4 367 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [0,0,0,0,0,1|3,0,0]=4 368 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [0,0,0,0,0,1|3,0,0]=4 369 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [0,0,0,0,0,1|3,0,0]=4 370 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [0,0,0,0,0,1|3,0,0]=4 371 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [0,0,0,0,0,1|3,0,0]=4 372 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [0,0,0,0,0,1|3,0,0]=4 373 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [0,0,0,0,0,1|3,0,0]=4 374 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [0,0,0,0,0,1|3,0,0]=4 375 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [0,0,0,0,0,1|3,0,0]=4 376 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [0,0,0,0,0,1|3,0,0]=4 377 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [0,0,0,0,0,1|3,0,0]=4 378 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [0,0,0,0,0,1|3,0,0]=4 379 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [0,0,0,0,0,1|3,0,0]=4 380 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [0,0,0,0,0,1|3,0,0]=4 381 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [0,0,0,0,0,1|3,0,0]=4 382 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [0,0,0,0,0,1|3,0,0]=4 383 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [0,0,0,0,0,1|2,0,0]=3 384 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [0,0,0,0,0,1|2,0,0]=3 385 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [0,0,0,0,0,1|2,0,0]=3 386 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [0,0,0,0,0,1|2,0,0]=3 387 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [0,0,0,0,0,1|2,0,0]=3 388 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,1,0,0,0|0,0,2]=4 389 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,1,0,0,0|1,0,1]=4 390 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,1,0,0,0|1,0,1]=4 391 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,1,0,0,0|0,0,1]=3 392 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,1,0,0,0|0,0,1]=3 393 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,1,0,0,0|0,0,1]=3 394 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,1,0,0,0|0,0,1]=3 395 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|1,0,1]=4 396 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,1,0,0,0|0,0,1]=3 397 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,1,0,0,0|0,0,1]=3 398 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,1,0,0,0|0,0,1]=3 399 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [1,0,1,0,0,0|2,0,0]=4 400 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [1,0,1,0,0,0|2,0,0]=4 401 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [1,0,1,0,0,0|2,0,0]=4 402 B6R0.1 CNC(=O)C=CBr 1626a_100102657272_100016273825 [1,0,1,0,0,0|1,0,0]=3 403 B6R0.1 CNC(=O)C=CBr 240690a_100102657272_100016273825 [1,0,1,0,0,0|1,0,0]=3 404 B6R0.1 CNC(=O)C=CCl 11a_106832991635_200016279998 [1,0,1,0,0,0|1,0,0]=3 405 B6R0.1 CNC(=O)C=CCl 1626a_100102657272_200016279998 [1,0,1,0,0,0|1,0,0]=3 406 B6R0.1 CNC(=O)C=CCl 240690a_100102657272_200016279998 [1,0,1,0,0,0|1,0,0]=3 407 B6R0.1 CNC(=O)C=CI 1626a_100102657272_100016256311 [1,0,1,0,0,0|1,0,0]=3 408 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [1,0,1,0,0,0|1,0,1]=4 409 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [1,0,1,0,0,0|0,0,1]=3 410 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [1,0,1,0,0,0|0,0,1]=3 411 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,0,1,0,0,0|1,0,1]=4 412 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,0,1,0,0,0|1,0,1]=4 413 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,0,1,0,0,0|1,0,1]=4 414 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,0,1,0,0,0|1,0,1]=4 415 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [2,0,0,0,0,0|0,0,2]=4 416 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [2,0,0,0,0,0|1,0,1]=4 417 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [2,0,0,0,0,0|1,0,1]=4 418 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [2,0,0,0,0,0|1,0,1]=4 419 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [2,0,0,0,0,0|0,0,2]=4 420 B8R0.1 C=CC=CC(=O)NNC 22a_100016993582_100016291481 [0,1,1,0,0,0|2,0,0]=4 421 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,1,0,0,0|2,0,0]=4 422 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,1,1,0,0,0|1,0,0]=3 423 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,1,1,0,0,0|1,0,0]=3 424 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,1,1,0,0,0|1,0,0]=3 425 B8R0.3 C=CCN(C)C(=O)C=C 1626a_100000225617_100000185746 [0,1,1,0,0,0|1,0,1]=4 426 B8R0.3 C=CCN(C)C(=O)C=C 240690a_100000225617_200121576911 [0,1,1,0,0,0|1,0,1]=4 427 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [0,1,1,0,0,0|0,0,2]=4 428 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [0,1,1,0,0,0|0,0,2]=4 429 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [0,1,1,0,0,0|0,0,2]=4 430 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [0,1,1,0,0,0|0,0,2]=4 431 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [0,1,1,0,0,0|0,0,2]=4 432 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,1,1,0,0,0|0,0,2]=4 433 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,1,1,0,0,0|0,0,2]=4 434 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [0,1,1,0,0,0|0,0,2]=4 435 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,1,1,0,0,0|0,0,2]=4 436 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.1 C=Cc1cc(n[nH]1)Br 271570a_100011290941_100160470719 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [1,1,0,0,0,0|2,0,0]=4 439 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,1,0,0,0,0|2,0,0]=4 440 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [1,1,0,0,0,0|2,0,0]=4 441 B8R1.1 N#Cc1cc(c[nH]1)O 271570a_203496583355_100009952751 [1,1,0,0,0,0|1,0,1]=4 442 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,1,0,0,0,0|2,0,0]=4 443 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,1,0,0,0,0|1,0,0]=3 444 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,1,0,0,0,0|1,0,0]=3 446 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,1,0,0,0,0|1,0,0]=3 447 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,1,0,0,0,0|2,0,0]=4 449 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [1,1,0,0,0,0|1,0,1]=4 450 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [1,1,0,0,0,0|1,0,1]=4 451 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [1,1,0,0,0,0|1,0,1]=4 452 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,1,0,0,0,0|2,0,0]=4 454 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [1,1,0,0,0,0|2,0,0]=4 455 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,1,0,0,0,0|2,0,0]=4 456 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.8 C=C=Cc1ncc[nH]1 271570a_100015277604_100025796157 [1,1,0,0,0,0|2,0,0]=4 458 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,1,0,0,0,0|2,0,0]=4 459 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [1,1,0,0,0,0|1,0,1]=4 462 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [1,1,0,0,0,0|1,0,1]=4 463 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [1,1,0,0,0,0|1,0,1]=4 464 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [1,1,0,0,0,0|1,0,1]=4 465 B8R1.18 Cn1cc(nc1N)O 271570a_203496583355_100025756272 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.18 Cn1nc(cc1N)O 271570a_203496583355_100000734454 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.18 Cn1nc(cc1O)N 271570a_203496583355_100116209741 [1,1,0,0,0,0|1,0,1]=4 468 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [1,1,0,0,0,0|1,0,1]=4 469 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [1,1,0,0,0,0|1,0,1]=4 470 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [1,1,0,0,0,0|1,0,1]=4 471 B8R1.50 Cn1ncc(c1F)O 271570a_203496583355_200011161937 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.2 C=Cc1cccn(c1=O)C 271570a_100011290941_100000687173 [0,1,0,0,0,1|1,0,0]=3 478 B10R1.2 COc1cccn(c1=O)C 34a_100000117616_200000210301 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.2 COc1cccn(c1=O)C 7a_100000117616_200000210301 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.2 CSc1cccn(c1=O)C 62a_100000687173_200000210301 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.2 CSc1cccn(c1=O)C 62a_200000210301_100000687173 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.2 Cn1cccc(c1=O)O[13CH3] 34a_100000117616_200025704644 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.2 Cn1cccc(c1=O)O[13CH3] 7a_100000117616_200025704644 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.2 Cn1cccc(c1=O)S[13CH3] 62a_100000687173_200025704644 [0,1,0,0,0,1|2,0,0]=4 486 B10R1.2 Cn1cccc(c1=O)S[13CH3] 62a_200025704644_100000687173 [0,1,0,0,0,1|2,0,0]=4 487 B10R1.2 Nc1c(cccc1C=O)O 271570a_203496583355_100010144990 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.2 O=Cc1cccc(c1F)O 271570a_203496583355_100000766533 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.2 O=Cc1cccc(c1O)F 271570a_203496583355_100011998484 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [0,1,0,0,0,1|2,0,0]=4 492 B10R1.8 C=Cc1cc(cc(c1)C)C 271570a_100011290941_100011215608 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.8 C=Cc1cc(cc(c1)Cl)C 271570a_100011290941_100010172791 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.8 C=Cc1cc(cc(c1)F)C 271570a_100011290941_100011356977 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.8 C=Cc1cc(cc(c1)N)C 271570a_100011290941_100000695972 [0,1,0,0,0,1|2,0,0]=4 496 B10R1.8 C=Cc1cc(cc(c1)O)C 271570a_100011290941_100011999630 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.8 C=Cc1cc(cc(n1)C)C 271570a_100011290941_100000069240 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.8 Cc1cc(cc(c1)C=O)O 271570a_203496583355_100000686105 [0,1,0,0,0,1|1,0,0]=3 499 B10R1.8 Cc1cc(cc(n1)C=O)O 271570a_203496583355_100009814795 [0,1,0,0,0,1|1,0,0]=3 500 B10R1.8 O=Cc1cc(cc(c1)Br)O 271570a_203496583355_100010185649 [0,1,0,0,0,1|2,0,0]=4 501 B10R1.8 O=Cc1cc(cc(c1)F)O 271570a_203496583355_100011794424 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.8 O=Cc1cc(cc(c1)O)O 271570a_203496583355_100010176088 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.10 C=C=Cc1ccc[n+](c1)C 271570a_100015277604_100009996589 [0,1,0,0,0,1|1,0,1]=4 504 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.10 C=C=Cc1cccc(n1)C 271570a_100015277604_100000742759 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [0,1,0,0,0,1|1,0,1]=4 507 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.30 C=Cc1cn(ccc1=O)C 271570a_100011290941_100010750718 [0,1,0,0,0,1|1,0,0]=3 517 B10R1.30 C=Cc1nc(ccc1C)C 271570a_100011290941_100009854376 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.30 C=Cc1nc(ccc1F)C 271570a_100011290941_100009817602 [0,1,0,0,0,1|2,0,0]=4 519 B10R1.30 C=Cc1nc(ccc1N)C 271570a_100011290941_100000685570 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.30 C=Cc1nc(ccc1O)C 271570a_100011290941_100000702858 [0,1,0,0,0,1|2,0,0]=4 521 B10R1.30 CSc1cn(ccc1=O)C 62a_100010750718_200000210301 [0,1,0,0,0,1|2,0,0]=4 522 B10R1.30 CSc1cn(ccc1=O)C 62a_200000210301_100010750718 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [0,1,0,0,0,1|1,0,0]=3 524 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [0,1,0,0,0,1|1,0,0]=3 525 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [0,1,0,0,0,1|2,0,0]=4 527 B10R1.30 Cn1ccc(=O)c(c1)S[13CH3] 62a_100010750718_200025704644 [0,1,0,0,0,1|2,0,0]=4 528 B10R1.30 Cn1ccc(=O)c(c1)S[13CH3] 62a_200025704644_100010750718 [0,1,0,0,0,1|2,0,0]=4 529 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [0,1,0,0,0,1|2,0,0]=4 530 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [0,1,0,0,0,1|2,0,0]=4 531 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [0,1,0,0,0,1|2,0,0]=4 532 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [0,1,0,0,0,1|2,0,0]=4 533 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [0,1,0,0,0,1|2,0,0]=4 534 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [0,1,0,0,0,1|2,0,0]=4 535 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [0,1,0,0,0,1|2,0,0]=4 536 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [0,1,0,0,0,1|2,0,0]=4 538 B10R1.30 O=Cc1nc(ccc1F)O 271570a_203496583355_100009814804 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [0,1,0,0,0,1|1,0,1]=4 540 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,1,0,0,0,1|2,0,0]=4 541 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,0,1|1,0,0]=3 544 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,0,1|1,0,0]=3 551 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,0,1|2,0,0]=4 557 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [0,1,0,0,0,1|1,0,1]=4 559 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [0,1,0,0,0,1|2,0,0]=4 560 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [0,1,0,0,0,1|2,0,0]=4 574 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.172 C=Cc1cccc(n1)C=O 271570a_100011290941_100000688028 [0,1,0,0,0,1|1,0,1]=4 577 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [0,1,0,0,0,1|2,0,0]=4 578 B10R1.172 C=Cc1cccc(n1)CN 271570a_100011290941_100016990191 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.172 C=Cc1cccc(n1)SC 271570a_100011290941_100011960944 [0,1,0,0,0,1|2,0,0]=4 583 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [0,1,0,0,0,1|2,0,0]=4 584 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [0,1,0,0,0,1|1,0,0]=3 586 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [0,1,0,0,0,1|1,0,0]=3 587 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [0,1,0,0,0,1|1,0,0]=3 588 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [0,1,0,0,0,1|1,0,0]=3 589 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [0,1,0,0,0,1|1,0,0]=3 596 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [0,1,0,0,0,1|1,0,0]=3 597 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [0,1,0,0,0,1|1,0,0]=3 598 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [0,1,0,0,0,1|1,0,0]=3 599 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [0,1,0,0,0,1|2,0,0]=4 602 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [0,1,0,0,0,1|1,0,0]=3 604 B10R1.176 C=Cc1ccc(=O)n(n1)C 271570a_100011290941_100009820752 [0,1,0,0,0,1|1,0,0]=3 605 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.176 C=Cc1ccc(c(n1)C)Br 271570a_100011290941_100012360386 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.176 C=Cc1ccc(c(n1)C)C 271570a_100011290941_100000103781 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.176 C=Cc1ccc(c(n1)C)F 271570a_100011290941_100009814307 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.176 C=Cc1ccc(c(n1)C)N 271570a_100011290941_100000760127 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.176 C=Cc1cn(c(=O)cn1)C 271570a_100011290941_100009843036 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.176 C=Cc1cnc(=O)n(c1)C 271570a_100011290941_100009819886 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.176 CSc1ccc(=O)n(c1)C 62a_100011245003_200000210301 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.176 CSc1ccc(=O)n(c1)C 62a_200000210301_100011245003 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.176 CSc1ccc(=O)n(n1)C 62a_100009820752_200000210301 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.176 CSc1ccc(=O)n(n1)C 62a_200000210301_100009820752 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [0,1,0,0,0,1|1,0,0]=3 623 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [0,1,0,0,0,1|2,0,0]=4 625 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [0,1,0,0,0,1|1,0,0]=3 627 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_100011245003_200025704644 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_200025704644_100011245003 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.176 Cn1nc(ccc1=O)S[13CH3] 62a_100009820752_200025704644 [0,1,0,0,0,1|2,0,0]=4 630 B10R1.176 Cn1nc(ccc1=O)S[13CH3] 62a_200025704644_100009820752 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [0,1,0,0,0,1|2,0,0]=4 632 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [0,1,0,0,0,1|2,0,0]=4 633 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [0,1,0,0,0,1|2,0,0]=4 634 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.4 C=C=Cc1cccc[n+]1C 271570a_100015277604_100000212160 [0,1,0,0,0,1|1,0,1]=4 638 B10R1.4 C=C=Cc1ccccc1C 271570a_100015277604_100000210755 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.4 C=C=Cc1cccnc1C 271570a_100015277604_100000751574 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.4 C=C=Cc1ccncc1C 271570a_100015277604_100015191297 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.4 C=C=Cc1cnccc1C 271570a_100015277604_100000761580 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.4 C=C=Cc1ncccc1C 271570a_100015277604_100000751373 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.4 CC=Cc1cccc[n+]1C 271570a_100016259895_100000212160 [0,1,0,0,0,1|1,0,1]=4 644 B10R1.4 CC=Cc1ccccc1C 271570a_100016259895_100000210755 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.4 CC=Cc1cccnc1C 271570a_100016259895_100000751574 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.4 CC=Cc1ccncc1C 271570a_100016259895_100015191297 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.4 CC=Cc1cnccc1C 271570a_100016259895_100000761580 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.4 CC=Cc1ncccc1C 271570a_100016259895_100000751373 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.20 C=Cc1ccccc1C=O 271570a_100011290941_100000211189 [0,1,0,0,0,1|1,0,1]=4 650 B10R1.20 C=Cc1ccccc1CC 271570a_100011290941_100011215823 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.20 C=Cc1ccccc1CN 271570a_100011290941_100000689332 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.20 C=Cc1ccccc1CO 271570a_100011290941_100000187465 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.20 C=Cc1ccccc1NC 271570a_100011290941_100020606079 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.20 C=Cc1ccccc1NC 34a_100012022501_200000210301 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.20 C=Cc1ccccc1N[13CH3] 34a_100012022501_200025704644 [0,1,0,0,0,1|2,0,0]=4 656 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [0,1,0,0,0,1|2,0,0]=4 657 B10R1.20 C=Cc1ccccc1SC 271570a_100011290941_100011217816 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.20 C=Cc1ccccc1SC 62a_100011218376_200000210301 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.20 C=Cc1ccccc1SC 62a_200000210301_100011218376 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_100011218376_200025704644 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.20 C=Cc1ccccc1S[13CH3] 62a_200025704644_100011218376 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.20 C=Cc1cccnc1C=O 271570a_100011290941_100011934733 [0,1,0,0,0,1|1,0,1]=4 663 B10R1.20 C=Cc1cccnc1CC 271570a_100011290941_100009877225 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.20 C=Cc1cccnc1CN 271570a_100011290941_100020591323 [0,1,0,0,0,1|2,0,0]=4 665 B10R1.20 C=Cc1cccnc1CO 271570a_100011290941_100011996772 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.20 C=Cc1cccnc1NC 271570a_100011290941_100000700899 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.20 C=Cc1cccnc1OC 271570a_100011290941_100000047025 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.20 C=Cc1cccnc1SC 271570a_100011290941_100011465278 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.20 C=Cc1ccncc1C=O 271570a_100011290941_100000050567 [0,1,0,0,0,1|1,0,1]=4 670 B10R1.20 C=Cc1ccncc1CC 271570a_100011290941_100025704421 [0,1,0,0,0,1|2,0,0]=4 671 B10R1.20 C=Cc1ccncc1CO 271570a_100011290941_100000117392 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.20 C=Cc1ccncc1OC 271570a_100011290941_100016988167 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.20 C=Cc1cnccc1C=O 271570a_100011290941_100011934409 [0,1,0,0,0,1|1,0,1]=4 674 B10R1.20 C=Cc1cnccc1CC 271570a_100011290941_100009819861 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.20 C=Cc1cnccc1CN 271570a_100011290941_100020640021 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.20 C=Cc1cnccc1CO 271570a_100011290941_100009873359 [0,1,0,0,0,1|2,0,0]=4 677 B10R1.20 C=Cc1cnccc1NC 271570a_100011290941_100010069531 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [0,1,0,0,0,1|2,0,0]=4 679 B10R1.20 C=Cc1ncccc1C=O 271570a_100011290941_100009816751 [0,1,0,0,0,1|1,0,1]=4 680 B10R1.20 C=Cc1ncccc1CN 271570a_100011290941_100015189234 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.20 C=Cc1ncccc1CO 271570a_100011290941_100000748726 [0,1,0,0,0,1|2,0,0]=4 682 B10R1.20 C=Cc1ncccc1NC 271570a_100011290941_200011806188 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.20 CSc1ccccc1C=O 62a_100000210073_200000210301 [0,1,0,0,0,1|1,0,0]=3 685 B10R1.20 CSc1ccccc1C=O 62a_200000210301_100000210073 [0,1,0,0,0,1|1,0,0]=3 686 B10R1.20 CSc1cccnc1C=O 62a_100011934733_200000210301 [0,1,0,0,0,1|1,0,0]=3 687 B10R1.20 CSc1cccnc1C=O 62a_200000210301_100011934733 [0,1,0,0,0,1|1,0,0]=3 688 B10R1.20 CSc1ccncc1C=O 62a_100000050567_200000210301 [0,1,0,0,0,1|1,0,0]=3 689 B10R1.20 CSc1ccncc1C=O 62a_200000210301_100000050567 [0,1,0,0,0,1|1,0,0]=3 690 B10R1.20 CSc1cnccc1C=O 62a_100011934409_200000210301 [0,1,0,0,0,1|1,0,0]=3 691 B10R1.20 CSc1cnccc1C=O 62a_200000210301_100011934409 [0,1,0,0,0,1|1,0,0]=3 692 B10R1.20 CSc1ncccc1C=O 62a_100009816751_200000210301 [0,1,0,0,0,1|1,0,0]=3 693 B10R1.20 CSc1ncccc1C=O 62a_200000210301_100009816751 [0,1,0,0,0,1|1,0,0]=3 694 B10R1.20 CSc1nccnc1C=O 62a_100000051000_200000210301 [0,1,0,0,0,1|2,0,0]=4 695 B10R1.20 CSc1nccnc1C=O 62a_200000210301_100000051000 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_100000210073_200025704644 [0,1,0,0,0,1|1,0,0]=3 697 B10R1.20 [13CH3]Sc1ccccc1C=O 62a_200025704644_100000210073 [0,1,0,0,0,1|1,0,0]=3 698 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_100011934733_200025704644 [0,1,0,0,0,1|1,0,0]=3 699 B10R1.20 [13CH3]Sc1cccnc1C=O 62a_200025704644_100011934733 [0,1,0,0,0,1|1,0,0]=3 700 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_100000050567_200025704644 [0,1,0,0,0,1|1,0,0]=3 701 B10R1.20 [13CH3]Sc1ccncc1C=O 62a_200025704644_100000050567 [0,1,0,0,0,1|1,0,0]=3 702 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_100011934409_200025704644 [0,1,0,0,0,1|1,0,0]=3 703 B10R1.20 [13CH3]Sc1cnccc1C=O 62a_200025704644_100011934409 [0,1,0,0,0,1|1,0,0]=3 704 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_100009816751_200025704644 [0,1,0,0,0,1|1,0,0]=3 705 B10R1.20 [13CH3]Sc1ncccc1C=O 62a_200025704644_100009816751 [0,1,0,0,0,1|1,0,0]=3 706 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_100000051000_200025704644 [0,1,0,0,0,1|2,0,0]=4 707 B10R1.20 [13CH3]Sc1nccnc1C=O 62a_200025704644_100000051000 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.25 C=Cc1cc[n+](cc1C)[O-] 271570a_100011290941_100000074940 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.25 C=Cc1ccc(cc1C)Br 271570a_100011290941_100000701812 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [0,1,0,0,0,1|2,0,0]=4 711 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.25 C=Cc1ccc(cc1C)F 271570a_100011290941_100011205405 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.25 C=Cc1ccc(cc1C)N 271570a_100011290941_100000210723 [0,1,0,0,0,1|2,0,0]=4 714 B10R1.25 C=Cc1ccc(cc1C)O 271570a_100011290941_100000729255 [0,1,0,0,0,1|2,0,0]=4 715 B10R1.25 C=Cc1ccc(nc1C)C 271570a_100011290941_100009813853 [0,1,0,0,0,1|2,0,0]=4 716 B10R1.25 C=Cc1ccc(nc1C)Cl 271570a_100011290941_100000062408 [0,1,0,0,0,1|2,0,0]=4 717 B10R1.25 C=Cc1ccc(nc1C)F 271570a_100011290941_100000688911 [0,1,0,0,0,1|2,0,0]=4 718 B10R1.25 C=Cc1ccc(nc1C)N 271570a_100011290941_100000013003 [0,1,0,0,0,1|2,0,0]=4 719 B10R1.25 C=Cc1ccc(nc1C)O 271570a_100011290941_100000691680 [0,1,0,0,0,1|2,0,0]=4 720 B10R1.25 C=Cc1cnc(cc1C)Br 271570a_100011290941_100009816104 [0,1,0,0,0,1|2,0,0]=4 721 B10R1.25 C=Cc1cnc(cc1C)C 271570a_100011290941_100009819613 [0,1,0,0,0,1|2,0,0]=4 722 B10R1.25 C=Cc1cnc(cc1C)Cl 271570a_100011290941_100010172789 [0,1,0,0,0,1|2,0,0]=4 723 B10R1.25 C=Cc1cnc(cc1C)F 271570a_100011290941_100009820716 [0,1,0,0,0,1|2,0,0]=4 724 B10R1.25 C=Cc1cnc(cc1C)N 271570a_100011290941_100000050067 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.25 C=Cc1cnc(cc1C)O 271570a_100011290941_100010114363 [0,1,0,0,0,1|2,0,0]=4 726 B10R1.25 C=Cc1ncc(cc1C)Br 271570a_100011290941_100012353652 [0,1,0,0,0,1|2,0,0]=4 727 B10R1.25 C=Cc1ncc(cc1C)C 271570a_100011290941_100009864548 [0,1,0,0,0,1|2,0,0]=4 728 B10R1.25 C=Cc1ncc(cc1C)F 271570a_100011290941_100009817009 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.25 C=Cc1ncc(cc1C)N 271570a_100011290941_100000761747 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.25 C=Cc1ncc(cc1C)O 271570a_100011290941_100012000486 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [0,1,0,0,0,1|1,0,0]=3 732 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [0,1,0,0,0,1|1,0,0]=3 733 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [0,1,0,0,0,1|1,0,0]=3 734 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [0,1,0,0,0,1|1,0,0]=3 737 B10R1.25 Nc1cc(ccc1C=O)O 271570a_203496583355_100009814810 [0,1,0,0,0,1|2,0,0]=4 738 B10R1.25 O=Cc1ccc(cc1Br)O 271570a_203496583355_100010185650 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.25 O=Cc1ccc(cc1Cl)O 271570a_203496583355_100000727542 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.25 O=Cc1ccc(cc1F)O 271570a_203496583355_100000211676 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.25 O=Cc1ccc(nc1F)O 271570a_203496583355_100010064369 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.25 O=Cc1ccc(nc1O)F 271570a_203496583355_100009846357 [0,1,0,0,0,1|2,0,0]=4 747 B10R1.25 O=Cc1cnc(cc1O)F 271570a_203496583355_100009862493 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.25 O=Cc1ncc(cc1F)O 271570a_203496583355_100010180630 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,1,0,0,0,1|1,0,1]=4 750 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,1,0,0,0,1|2,0,0]=4 751 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,1,0,0,0,1|2,0,0]=4 752 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [0,1,0,0,0,1|2,0,0]=4 753 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,1,0,0,0,1|2,0,0]=4 754 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,1,0,0,0,1|2,0,0]=4 755 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,0,1|2,0,0]=4 756 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,0,1|1,0,0]=3 757 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,0,1|2,0,0]=4 758 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,0,1|2,0,0]=4 759 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,0,1|2,0,0]=4 761 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,0,1|2,0,0]=4 762 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,0,1|2,0,0]=4 763 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,0,1|2,0,0]=4 764 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,1,0,0,0,1|2,0,0]=4 765 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,0,1|2,0,0]=4 766 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,0,1|2,0,0]=4 767 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,0,1|1,0,0]=3 768 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,0,1|2,0,0]=4 769 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,0,1|2,0,0]=4 770 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,1,0,0,0,1|2,0,0]=4 771 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,0,1|2,0,0]=4 772 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,0,1|2,0,0]=4 773 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,0,1|2,0,0]=4 774 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,0,1|2,0,0]=4 775 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,0,1|2,0,0]=4 776 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,0,1|2,0,0]=4 777 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,0,1|2,0,0]=4 778 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,0,1|2,0,0]=4 779 B10R1.245 C=Cc1c(ccc[n+]1[O-])C 271570a_100011290941_100116209805 [0,1,0,0,0,1|2,0,0]=4 780 B10R1.245 C=Cc1c(cccc1C)C 271570a_100011290941_100000033847 [0,1,0,0,0,1|2,0,0]=4 781 B10R1.245 C=Cc1c(cccc1Cl)C 271570a_100011290941_100000043165 [0,1,0,0,0,1|2,0,0]=4 782 B10R1.245 C=Cc1c(cccc1F)C 271570a_100011290941_100012349962 [0,1,0,0,0,1|2,0,0]=4 783 B10R1.245 C=Cc1c(cccc1N)C 271570a_100011290941_100000684715 [0,1,0,0,0,1|2,0,0]=4 784 B10R1.245 C=Cc1c(cccc1O)C 271570a_100011290941_100000686692 [0,1,0,0,0,1|2,0,0]=4 785 B10R1.245 C=Cc1c(ccnc1C)C 271570a_100011290941_100012000501 [0,1,0,0,0,1|2,0,0]=4 786 B10R1.245 C=Cc1c(ccnc1C)N 271570a_100011290941_100010243816 [0,1,0,0,0,1|2,0,0]=4 787 B10R1.245 C=Cc1c(ccnc1F)C 271570a_100011290941_100009818256 [0,1,0,0,0,1|2,0,0]=4 788 B10R1.245 C=Cc1c(ccnc1N)C 271570a_100011290941_100011998619 [0,1,0,0,0,1|2,0,0]=4 789 B10R1.245 C=Cc1c(ccnc1O)C 271570a_100011290941_100012000493 [0,1,0,0,0,1|2,0,0]=4 790 B10R1.245 C=Cc1c(cncc1C)C 271570a_100011290941_100009817138 [0,1,0,0,0,1|2,0,0]=4 791 B10R1.245 Cc1cccc(c1C=O)O 271570a_203496583355_100000041122 [0,1,0,0,0,1|1,0,0]=3 792 B10R1.245 Nc1cccc(c1C=O)O 271570a_203496583355_100010232536 [0,1,0,0,0,1|2,0,0]=4 793 B10R1.245 Nc1nccc(c1C=O)O 271570a_203496583355_100009843235 [0,1,0,0,0,1|2,0,0]=4 794 B10R1.245 O=Cc1c(cccc1Cl)O 271570a_203496583355_100010147682 [0,1,0,0,0,1|2,0,0]=4 795 B10R1.245 O=Cc1c(cccc1F)O 271570a_203496583355_100000210083 [0,1,0,0,0,1|2,0,0]=4 796 B10R1.245 O=Cc1c(cccc1O)O 271570a_203496583355_100009814793 [0,1,0,0,0,1|2,0,0]=4 797 B10R1.245 O=Cc1c(ccnc1Cl)O 271570a_203496583355_100000047006 [0,1,0,0,0,1|2,0,0]=4 798 B10R1.245 O=Cc1c(ccnc1F)O 271570a_203496583355_100009828249 [0,1,0,0,0,1|2,0,0]=4 799 B10R1.245 O=Cc1c(ccnc1O)O 271570a_203496583355_200010729673 [0,1,0,0,0,1|2,0,0]=4 800 B10R1.245 O=Cc1c(cncc1F)O 271570a_203496583355_100010064882 [0,1,0,0,0,1|2,0,0]=4 801 B10R1.5 C=C=Cc1ccnn1CC 271570a_100015277604_100000728327 [0,2,0,0,0,0|2,0,0]=4 802 B10R1.5 C=C=Cc1nccn1CC 271570a_100015277604_100011617267 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.5 CC=Cc1ccnn1CC 271570a_100016259895_100000728327 [0,2,0,0,0,0|2,0,0]=4 804 B10R1.5 CC=Cc1ccoc1C=O 271570a_100016259895_100000756499 [0,2,0,0,0,0|2,0,0]=4 805 B10R1.5 CC=Cc1ccsc1C=O 271570a_100016259895_100000766043 [0,2,0,0,0,0|2,0,0]=4 806 B10R1.5 CC=Cc1cscc1C=O 271570a_100016259895_100000685484 [0,2,0,0,0,0|2,0,0]=4 807 B10R1.5 CC=Cc1nccn1CC 271570a_100016259895_100011617267 [0,2,0,0,0,0|2,0,0]=4 808 B10R1.5 CC=Cc1sccc1C=O 271570a_100016259895_100009816921 [0,2,0,0,0,0|2,0,0]=4 809 B10R1.5 CCSc1ccoc1C=O 62a_100000210202_100000756499 [0,2,0,0,0,0|2,0,0]=4 810 B10R1.5 CCSc1ccoc1C=O 62a_100000756499_100000210202 [0,2,0,0,0,0|2,0,0]=4 811 B10R1.5 CCSc1ccsc1C=O 62a_100000210202_100000766043 [0,2,0,0,0,0|2,0,0]=4 812 B10R1.5 CCSc1ccsc1C=O 62a_100000766043_100000210202 [0,2,0,0,0,0|2,0,0]=4 813 B10R1.5 CCSc1cscc1C=O 62a_100000210202_100000685484 [0,2,0,0,0,0|2,0,0]=4 814 B10R1.5 CCSc1cscc1C=O 62a_100000685484_100000210202 [0,2,0,0,0,0|2,0,0]=4 815 B10R1.5 CCSc1sccc1C=O 62a_100000210202_100009816921 [0,2,0,0,0,0|2,0,0]=4 816 B10R1.5 CCSc1sccc1C=O 62a_100009816921_100000210202 [0,2,0,0,0,0|2,0,0]=4 817 B10R1.5 CCn1cccc1CNC 2230a_103496549365_200000210301 [0,2,0,0,0,0|1,0,1]=4 818 B10R1.5 CCn1cccc1CNC 270004a_106832991635_100011302050 [0,2,0,0,0,0|1,0,1]=4 819 B10R1.5 CCn1cccc1CNC 34a_103496549365_200000210301 [0,2,0,0,0,0|1,0,1]=4 820 B10R1.5 CCn1cccc1CN[13CH3] 2230a_103496549365_200025704644 [0,2,0,0,0,0|1,0,1]=4 821 B10R1.5 CCn1cccc1CN[13CH3] 34a_103496549365_200025704644 [0,2,0,0,0,0|1,0,1]=4 822 B10R1.5 O=Cc1ccsc1SCF 62a_100009816921_100015361967 [0,2,0,0,0,0|2,0,0]=4 823 B10R1.5 O=Cc1ccsc1SCF 62a_100015361967_100009816921 [0,2,0,0,0,0|2,0,0]=4 824 B10R1.5 O=Cc1cscc1SCF 62a_100000685484_100015361967 [0,2,0,0,0,0|2,0,0]=4 825 B10R1.5 O=Cc1cscc1SCF 62a_100015361967_100000685484 [0,2,0,0,0,0|2,0,0]=4 826 B10R1.5 O=Cc1occc1SCF 62a_100000756499_100015361967 [0,2,0,0,0,0|2,0,0]=4 827 B10R1.5 O=Cc1occc1SCF 62a_100015361967_100000756499 [0,2,0,0,0,0|2,0,0]=4 828 B10R1.5 O=Cc1sccc1SCF 62a_100000766043_100015361967 [0,2,0,0,0,0|2,0,0]=4 829 B10R1.5 O=Cc1sccc1SCF 62a_100015361967_100000766043 [0,2,0,0,0,0|2,0,0]=4 830 B10R1.32 CSc1cc(sc1C=O)C 62a_100011361552_200000210301 [0,2,0,0,0,0|2,0,0]=4 831 B10R1.32 CSc1cc(sc1C=O)C 62a_200000210301_100011361552 [0,2,0,0,0,0|2,0,0]=4 832 B10R1.32 Cc1cc(c(s1)C=O)S[13CH3] 62a_100011361552_200025704644 [0,2,0,0,0,0|2,0,0]=4 833 B10R1.32 Cc1cc(c(s1)C=O)S[13CH3] 62a_200025704644_100011361552 [0,2,0,0,0,0|2,0,0]=4 834 B10R1.39 C=C(C)c1ccnn1CC 271570a_100000694244_100000728327 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.39 C=C(C)c1ccoc1C=O 271570a_100000694244_100000756499 [0,2,0,0,0,0|2,0,0]=4 836 B10R1.39 C=C(C)c1ccsc1C=O 271570a_100000694244_100000766043 [0,2,0,0,0,0|2,0,0]=4 837 B10R1.39 C=C(C)c1cscc1C=O 271570a_100000694244_100000685484 [0,2,0,0,0,0|2,0,0]=4 838 B10R1.39 C=C(C)c1nccn1CC 271570a_100000694244_100011617267 [0,2,0,0,0,0|2,0,0]=4 839 B10R1.39 C=C(C)c1sccc1C=O 271570a_100000694244_100009816921 [0,2,0,0,0,0|2,0,0]=4 840 B10R1.39 C=Cc1ccnn1C(C)C 271570a_100011290941_100010264481 [0,2,0,0,0,0|2,0,0]=4 841 B10R1.39 C=Cc1cncn1C(C)C 271570a_100011290941_100009849687 [0,2,0,0,0,0|2,0,0]=4 842 B10R1.39 C=Cc1nccn1C(C)C 271570a_100011290941_100009820211 [0,2,0,0,0,0|2,0,0]=4 843 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,2,0,0,0,0|2,0,0]=4 844 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,2,0,0,0,0|0,0,2]=4 845 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,2,0,0,0,0|2,0,0]=4 846 B10R1.39 CSc1cscc1C(=O)N 62a_100009817205_200000210301 [0,2,0,0,0,0|2,0,0]=4 847 B10R1.39 CSc1cscc1C(=O)N 62a_200000210301_100009817205 [0,2,0,0,0,0|2,0,0]=4 848 B10R1.39 O=C(O)[C@@H]1C=CCN1CF 269956a_100000057196_100015361967 [0,2,0,0,0,0|0,0,2]=4 849 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_100009817205_200025704644 [0,2,0,0,0,0|2,0,0]=4 850 B10R1.39 [13CH3]Sc1cscc1C(=O)N 62a_200025704644_100009817205 [0,2,0,0,0,0|2,0,0]=4 851 B10R1.257 C=Cc1c(cnn1C)C#N 271570a_100011290941_100000702867 [0,2,0,0,0,0|2,0,0]=4 852 B10R1.257 C=Cc1c(cnn1C)CO 271570a_100011290941_100011063722 [0,2,0,0,0,0|2,0,0]=4 853 B10R1.257 C=Cc1cnn(c1C=O)C 271570a_100011290941_100000763672 [0,2,0,0,0,0|1,0,0]=3 854 B10R1.257 C=Cc1ncn(c1C=O)C 271570a_100011290941_200000040309 [0,2,0,0,0,0|1,0,0]=3 855 B10R1.257 CCn1ncc(c1C=O)O 271570a_203496583355_100000763648 [0,2,0,0,0,0|1,0,0]=3 856 B10R1.257 CSc1cnn(c1C=O)C 62a_100000763672_200000210301 [0,2,0,0,0,0|1,0,0]=3 857 B10R1.257 CSc1cnn(c1C=O)C 62a_200000210301_100000763672 [0,2,0,0,0,0|1,0,0]=3 858 B10R1.257 CSc1ncn(c1C=O)C 62a_200000040309_200000210301 [0,2,0,0,0,0|1,0,0]=3 859 B10R1.257 CSc1ncn(c1C=O)C 62a_200000210301_200000040309 [0,2,0,0,0,0|1,0,0]=3 860 B10R1.257 Cn1cnc(c1C=O)S[13CH3] 62a_200000040309_200025704644 [0,2,0,0,0,0|1,0,0]=3 861 B10R1.257 Cn1cnc(c1C=O)S[13CH3] 62a_200025704644_200000040309 [0,2,0,0,0,0|1,0,0]=3 862 B10R1.257 Cn1ncc(c1C=O)S[13CH3] 62a_100000763672_200025704644 [0,2,0,0,0,0|1,0,0]=3 863 B10R1.257 Cn1ncc(c1C=O)S[13CH3] 62a_200025704644_100000763672 [0,2,0,0,0,0|1,0,0]=3 864 B10R1.35 C=Cc1cc(c(s1)C=O)C 271570a_100011290941_100010221198 [0,2,0,0,0,0|2,0,0]=4 865 B10R1.35 C=Cc1cc(n(c1)C)C#N 271570a_100011290941_100009830613 [0,2,0,0,0,0|1,0,1]=4 866 B10R1.35 CSc1cc(c(s1)C=O)C 62a_100010221198_200000210301 [0,2,0,0,0,0|2,0,0]=4 867 B10R1.35 CSc1cc(c(s1)C=O)C 62a_200000210301_100010221198 [0,2,0,0,0,0|2,0,0]=4 868 B10R1.35 CSc1cc(n(c1)C)C#N 62a_200000210301_100009830613 [0,2,0,0,0,0|1,0,1]=4 869 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_100010221198_200025704644 [0,2,0,0,0,0|2,0,0]=4 870 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_200025704644_100010221198 [0,2,0,0,0,0|2,0,0]=4 871 B10R1.35 Cn1cc(cc1C#N)S[13CH3] 62a_200025704644_100009830613 [0,2,0,0,0,0|1,0,1]=4 872 B10R1.59 C=C(C)c1cc(nn1C)C 271570a_100000694244_100009818511 [0,2,0,0,0,0|2,0,0]=4 873 B10R1.59 C=C(C)c1cc(nn1C)N 271570a_100000694244_100116209741 [0,2,0,0,0,0|2,0,0]=4 874 B10R1.59 C=C(C)c1nc(cn1C)C 271570a_100000694244_100009816808 [0,2,0,0,0,0|2,0,0]=4 875 B10R1.130 C=C=Cc1cc(nn1C)C 271570a_100015277604_100009818511 [0,2,0,0,0,0|2,0,0]=4 876 B10R1.130 C=C=Cc1cc(nn1C)N 271570a_100015277604_100116209741 [0,2,0,0,0,0|2,0,0]=4 877 B10R1.130 C=C=Cc1nc(cn1C)C 271570a_100015277604_100009816808 [0,2,0,0,0,0|2,0,0]=4 878 B10R1.130 CC=Cc1cc(nn1C)C 271570a_100016259895_100009818511 [0,2,0,0,0,0|2,0,0]=4 879 B10R1.130 CC=Cc1cc(nn1C)N 271570a_100016259895_100116209741 [0,2,0,0,0,0|2,0,0]=4 880 B10R1.130 CC=Cc1nc(cn1C)C 271570a_100016259895_100009816808 [0,2,0,0,0,0|2,0,0]=4 881 B10R1.192 CC(=O)c1c(cnn1C)O 271570a_203496583355_100012349272 [0,2,0,0,0,0|1,0,0]=3 882 B10R1.192 Cn1ncc(c1C(=O)N)O 271570a_203496583355_100010776205 [0,2,0,0,0,0|1,0,0]=3 883 B10R1.29 C=CCOc1ccnn1C 34a_100020632926_100015514636 [0,2,0,0,0,0|2,0,0]=4 884 B10R1.29 C=CCSc1ccnn1C 62a_100000210623_100000688441 [0,2,0,0,0,0|2,0,0]=4 885 B10R1.29 C=CCSc1ccnn1C 62a_100000688441_100000210623 [0,2,0,0,0,0|2,0,0]=4 886 B10R1.29 C=CCSc1cncn1C 62a_100000210623_100009814087 [0,2,0,0,0,0|2,0,0]=4 887 B10R1.29 C=CCSc1cncn1C 62a_100009814087_100000210623 [0,2,0,0,0,0|2,0,0]=4 888 B10R1.29 C=CCSc1nccn1C 62a_100000210623_100000707724 [0,2,0,0,0,0|2,0,0]=4 889 B10R1.29 C=CCSc1nccn1C 62a_100000707724_100000210623 [0,2,0,0,0,0|2,0,0]=4 890 B10R1.29 CCNCc1cccn1C 270004a_100015525214_100000211633 [0,2,0,0,0,0|1,0,1]=4 891 B10R1.29 CCNCc1cccn1C 34a_100011219357_100000210202 [0,2,0,0,0,0|1,0,1]=4 892 B10R1.29 CNCCc1cccn1C 2230a_100011251756_200000210301 [0,2,0,0,0,0|1,0,1]=4 893 B10R1.29 CNCCc1cccn1C 34a_100011251756_200000210301 [0,2,0,0,0,0|1,0,1]=4 894 B10R1.29 Cc1ccsc1SCC=O 62a_100010247149_200015260668 [0,2,0,0,0,0|2,0,0]=4 895 B10R1.29 Cc1ccsc1SCC=O 62a_200015260668_100010247149 [0,2,0,0,0,0|2,0,0]=4 896 B10R1.29 Cc1cscc1SCC=O 62a_100000759966_200015260668 [0,2,0,0,0,0|2,0,0]=4 897 B10R1.29 Cc1cscc1SCC=O 62a_200015260668_100000759966 [0,2,0,0,0,0|2,0,0]=4 898 B10R1.29 Cc1sccc1SCC=O 62a_100000684487_200015260668 [0,2,0,0,0,0|2,0,0]=4 899 B10R1.29 Cc1sccc1SCC=O 62a_200015260668_100000684487 [0,2,0,0,0,0|2,0,0]=4 900 B10R1.29 Cn1cccc1CCN[13CH3] 2230a_100011251756_200025704644 [0,2,0,0,0,0|1,0,1]=4 901 B10R1.29 Cn1cccc1CCN[13CH3] 34a_100011251756_200025704644 [0,2,0,0,0,0|1,0,1]=4 902 B10R1.29 Cn1cccc1CNCF 34a_100011219357_100015361967 [0,2,0,0,0,0|1,0,1]=4 903 B10R1.29 Cn1ccnc1SCC=O 62a_100000707724_200015260668 [0,2,0,0,0,0|1,0,0]=3 904 B10R1.29 Cn1ccnc1SCC=O 62a_200015260668_100000707724 [0,2,0,0,0,0|1,0,0]=3 905 B10R1.29 Cn1cncc1SCC=O 62a_100009814087_200015260668 [0,2,0,0,0,0|1,0,0]=3 906 B10R1.29 Cn1cncc1SCC=O 62a_200015260668_100009814087 [0,2,0,0,0,0|1,0,0]=3 907 B10R1.29 Cn1nccc1OCC=O 34a_100020632926_200009817547 [0,2,0,0,0,0|1,0,0]=3 908 B10R1.29 Cn1nccc1SCC=O 62a_100000688441_200015260668 [0,2,0,0,0,0|1,0,0]=3 909 B10R1.29 Cn1nccc1SCC=O 62a_200015260668_100000688441 [0,2,0,0,0,0|1,0,0]=3 910 B10R1.29 Cn1ncnc1SCC=O 62a_100000732653_200015260668 [0,2,0,0,0,0|2,0,0]=4 911 B10R1.29 Cn1ncnc1SCC=O 62a_200015260668_100000732653 [0,2,0,0,0,0|2,0,0]=4 912 B10R1.64 CC(=Cc1ccnn1C)C 271570a_100102525489_100000688441 [0,2,0,0,0,0|2,0,0]=4 913 B10R1.64 CC(=Cc1cncn1C)C 271570a_100102525489_100009814087 [0,2,0,0,0,0|2,0,0]=4 914 B10R1.64 CC(=Cc1nccn1C)C 271570a_100102525489_100000707724 [0,2,0,0,0,0|2,0,0]=4 915 B10R1.64 CC(=O)Cc1ccnn1C 1458a_100000070787_100000691648 [0,2,0,0,0,0|1,0,0]=3 916 B10R1.64 CN(C)Cc1cccn1C 2230a_100000188278_200000210301 [0,2,0,0,0,0|1,0,1]=4 917 B10R1.64 CN(C)Cc1cccn1C 269982a_100000188278_200000210301 [0,2,0,0,0,0|1,0,1]=4 918 B10R1.64 CN(C)Cc1cccn1C 270004a_100102631434_100000211633 [0,2,0,0,0,0|1,0,1]=4 919 B10R1.64 CN([13CH3])Cc1cccn1C 2230a_100000188278_200025704644 [0,2,0,0,0,0|1,0,1]=4 920 B10R1.64 CN([13CH3])Cc1cccn1C 269982a_100000188278_200025704644 [0,2,0,0,0,0|1,0,1]=4 921 B10R1.94 C=C=Cc1cnc(n1C)C 271570a_100015277604_100000762843 [0,2,0,0,0,0|2,0,0]=4 922 B10R1.94 C=C=Cc1ncc(n1C)C 271570a_100015277604_100009816807 [0,2,0,0,0,0|2,0,0]=4 923 B10R1.94 CC=Cc1cnc(n1C)C 271570a_100016259895_100000762843 [0,2,0,0,0,0|2,0,0]=4 924 B10R1.94 CC=Cc1ncc(n1C)C 271570a_100016259895_100009816807 [0,2,0,0,0,0|2,0,0]=4 925 B10R1.94 CNCc1ccc(n1C)C 34a_100000744627_200000210301 [0,2,0,0,0,0|1,0,1]=4 926 B10R1.94 Cc1ccc(n1C)CN[13CH3] 34a_100000744627_200025704644 [0,2,0,0,0,0|1,0,1]=4 927 B10R1.149 CNC(C)c1cccn1C 269862a_106832991636_100000709046 [0,2,0,0,0,0|1,0,1]=4 928 B10R1.194 C=C(C)c1cnc(n1C)C 271570a_100000694244_100000762843 [0,2,0,0,0,0|2,0,0]=4 929 B10R1.194 C=C(C)c1ncc(n1C)C 271570a_100000694244_100009816807 [0,2,0,0,0,0|2,0,0]=4 930 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,2,0,0,0,0|2,0,0]=4 931 B10R1.258 C=Cc1cnc(n1C)C=O 271570a_100011290941_200009816901 [0,2,0,0,0,0|1,0,0]=3 932 B10R1.258 C=Cc1cnc(n1C)CO 271570a_100011290941_100009817024 [0,2,0,0,0,0|2,0,0]=4 933 B10R1.258 CSc1cnc(n1C)C=O 62a_200000210301_200009816901 [0,2,0,0,0,0|1,0,0]=3 934 B10R1.258 CSc1cnc(n1C)C=O 62a_200009816901_200000210301 [0,2,0,0,0,0|1,0,0]=3 935 B10R1.258 Cn1c(cnc1C=O)S[13CH3] 62a_200009816901_200025704644 [0,2,0,0,0,0|1,0,0]=3 936 B10R1.258 Cn1c(cnc1C=O)S[13CH3] 62a_200025704644_200009816901 [0,2,0,0,0,0|1,0,0]=3 937 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [0,0,1,1,0,0|1,0,0]=3 938 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [0,0,1,1,0,0|2,0,0]=4 939 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [0,0,1,1,0,0|2,0,0]=4 940 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [0,0,1,1,0,0|2,0,0]=4 941 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [0,0,1,1,0,0|2,0,0]=4 942 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [0,0,1,1,0,0|2,0,0]=4 943 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [0,0,1,1,0,0|2,0,0]=4 944 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [0,0,1,1,0,0|2,0,0]=4 945 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [0,0,1,1,0,0|2,0,0]=4 946 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [0,0,1,1,0,0|2,0,0]=4 947 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [0,0,1,1,0,0|2,0,0]=4 948 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [0,0,1,1,0,0|1,0,0]=3 949 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [0,0,1,1,0,0|2,0,0]=4 950 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [0,0,1,1,0,0|2,0,0]=4 951 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [0,0,1,1,0,0|2,0,0]=4 952 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [0,0,1,1,0,0|2,0,0]=4 953 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [0,0,1,1,0,0|2,0,0]=4 954 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [0,0,1,1,0,0|2,0,0]=4 955 B8R1.5 C[n+]1ccccc1O 271570a_203496583355_100000212160 [0,0,1,1,0,0|0,0,2]=4 956 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,0,1,1,0,0|1,0,1]=4 957 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [0,0,1,1,0,0|0,0,2]=4 958 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,1,1,0,0|1,0,1]=4