0 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [0,0,0,0,0,0|3,0,0]=3 2 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [0,0,0,0,0,0|4,0,0]=4 3 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [0,0,0,0,0,0|4,0,0]=4 4 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 Oc1cn[nH]c1 271570a_203496583355_100000238712 [0,0,0,0,0,0|1,0,0]=1 8 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 Oc1cnoc1 271570a_203496583355_100009815712 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 Oc1cnsc1 271570a_203496583355_100009815736 [0,0,0,0,0,0|2,0,0]=2 12 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 Oc1nc[nH]n1 271570a_203496583355_100000761765 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [0,1,0,0,0,0|3,0,0]=4 17 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [0,1,0,0,0,0|3,0,0]=4 19 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [0,1,0,0,0,0|3,0,0]=4 20 B7R1.1 C=Cc1cn[nH]c1 271570a_100011290941_100000238712 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.1 C=Cc1cnoc1 271570a_100011290941_100009815712 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.1 C=Cc1cnsc1 271570a_100011290941_100009815736 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [0,1,0,0,0,0|3,0,0]=4 26 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [0,1,0,0,0,0|3,0,0]=4 28 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [0,1,0,0,0,0|3,0,0]=4 29 B7R1.1 CSc1c[nH]nn1 62a_100009819707_200000210301 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.1 CSc1c[nH]nn1 62a_200000210301_100009819707 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [0,1,0,0,0,0|3,0,0]=4 32 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [0,1,0,0,0,0|1,0,0]=2 38 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [0,1,0,0,0,0|1,0,0]=2 39 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [0,1,0,0,0,0|3,0,0]=4 43 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [0,1,0,0,0,0|3,0,0]=4 48 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_100009819707_200025704644 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.1 [13CH3]Sc1c[nH]nn1 62a_200025704644_100009819707 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [0,1,0,0,0,0|3,0,0]=4 54 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [0,1,0,0,0,0|3,0,0]=4 55 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [0,1,0,0,0,0|3,0,0]=4 56 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [0,1,0,0,0,0|3,0,0]=4 57 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [0,1,0,0,0,0|3,0,0]=4 58 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [0,1,0,0,0,0|3,0,0]=4 59 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [0,1,0,0,0,0|1,0,0]=2 60 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [0,1,0,0,0,0|1,0,0]=2 61 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [0,1,0,0,0,0|3,0,0]=4 62 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [0,1,0,0,0,0|3,0,0]=4 63 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [0,1,0,0,0,0|2,0,0]=3 66 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [0,1,0,0,0,0|2,0,0]=3 68 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [0,1,0,0,0,0|2,0,0]=3 69 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [0,1,0,0,0,0|3,0,0]=4 70 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [0,1,0,0,0,0|3,0,0]=4 71 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [0,1,0,0,0,0|3,0,0]=4 72 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [0,1,0,0,0,0|3,0,0]=4 73 B7R1.2 Cc1cn(nn1)C 274090a_200000210301_200000242740 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.2 Cc1cn(nn1)[13CH3] 274090a_200025704644_200000242740 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [0,1,0,0,0,0|1,0,0]=2 80 B7R1.2 Cn1cc(nn1)O 271570a_203496583355_100000760339 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [0,1,0,0,0,0|3,0,0]=4 83 B7R1.2 Cn1ncc(n1)O 271570a_203496583355_100000733932 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.2 Cn1nnc(n1)O 271570a_203496583355_200009870515 [0,1,0,0,0,0|3,0,0]=4 85 B7R1.2 Nc1cc(n[nH]1)O 271570a_203496583355_100009822546 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.2 Oc1cc(n[nH]1)Br 271570a_203496583355_100160470719 [0,1,0,0,0,0|2,1,0]=4 87 B7R1.4 Cc1[nH]cnc1O 271570a_203496583355_100009816806 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.4 Cc1c[nH]nc1O 271570a_203496583355_100009871783 [0,1,0,0,0,0|1,0,0]=2 89 B7R1.4 Cc1ccsc1O 271570a_203496583355_100000742657 [0,1,0,0,0,0|3,0,0]=4 90 B7R1.4 Cc1cscc1O 271570a_203496583355_100000759966 [0,1,0,0,0,0|3,0,0]=4 91 B7R1.4 Cc1n[nH]cc1O 271570a_203496583355_100011912673 [0,1,0,0,0,0|1,0,0]=2 92 B7R1.4 Cc1ncsc1O 271570a_203496583355_100009817116 [0,1,0,0,0,0|3,0,0]=4 93 B7R1.4 Cc1oncc1O 271570a_203496583355_100009872056 [0,1,0,0,0,0|2,0,0]=3 94 B7R1.4 Cc1sccc1O 271570a_203496583355_100000684487 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.4 Cc1scnc1O 271570a_203496583355_100000732656 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.4 Cn1ccnc1O 271570a_203496583355_100000707724 [0,1,0,0,0,0|3,0,0]=4 97 B7R1.4 Cn1cncc1O 271570a_203496583355_100009814087 [0,1,0,0,0,0|3,0,0]=4 98 B7R1.4 Cn1nccc1O 271570a_203496583355_100000688441 [0,1,0,0,0,0|3,0,0]=4 99 B7R1.4 Nc1c[nH]nc1O 271570a_203496583355_100010894806 [0,1,0,0,0,0|1,0,0]=2 100 B7R1.4 Nc1n[nH]cc1O 271570a_203496583355_100000717100 [0,1,0,0,0,0|1,0,0]=2 101 B7R1.4 Nc1nocc1O 271570a_203496583355_100012597345 [0,1,0,0,0,0|2,0,0]=3 102 B7R1.4 Oc1[nH]cnc1Cl 271570a_203496583355_100010200774 [0,1,0,0,0,0|2,1,0]=4 103 B7R1.4 Oc1c[nH]nc1Br 271570a_203496583355_100011012988 [0,1,0,0,0,0|1,0,0]=2 104 B7R1.4 Oc1c[nH]nc1F 271570a_203496583355_100015597042 [0,1,0,0,0,0|1,0,0]=2 105 B7R1.4 Oc1cscc1Br 271570a_203496583355_100010143727 [0,1,0,0,0,0|2,1,0]=4 106 B7R1.4 Oc1n[nH]cc1Br 271570a_203496583355_100015839836 [0,1,0,0,0,0|0,1,0]=2 107 B7R1.4 Oc1sccc1Br 271570a_203496583355_100012361411 [0,1,0,0,0,0|2,1,0]=4 108 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,1,0,0,0|2,0,1]=4 109 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,1,0,0,0|2,0,1]=4 110 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,1,0,0,0|2,0,1]=4 111 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,0,1,0,0,0|1,1,1]=4 112 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,0,1,0,0,0|1,1,1]=4 113 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,0,1,0,0,0|1,1,1]=4 114 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [0,0,1,0,0,0|2,0,1]=4 115 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [0,0,1,0,0,0|2,0,1]=4 116 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [0,0,1,0,0,0|2,0,1]=4 117 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [0,0,1,0,0,0|2,0,1]=4 118 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [0,0,1,0,0,0|2,0,1]=4 119 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [0,0,0,0,0,1|3,0,0]=4 120 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [0,0,0,0,0,1|3,0,0]=4 121 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [0,0,0,0,0,1|2,0,0]=3 122 B7R1.3 Oc1cccnn1 271570a_203496583355_100016991348 [0,0,0,0,0,1|3,0,0]=4 123 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [0,0,0,0,0,1|2,0,0]=3 124 B7R1.3 Oc1ccncn1 271570a_203496583355_100000703185 [0,0,0,0,0,1|2,0,0]=3 125 B7R1.3 Oc1ccnnc1 271570a_203496583355_100000732662 [0,0,0,0,0,1|1,0,1]=3 126 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [0,0,0,0,0,1|2,0,0]=3 127 B7R1.3 Oc1cncnc1 271570a_203496583355_100011206942 [0,0,0,0,0,1|1,0,1]=3 128 B7R1.3 Oc1cnnnc1 271570a_203496583355_100009846058 [0,0,0,0,0,1|1,0,1]=3 129 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,1,0,0,0|1,0,1]=4 130 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,1,0,0,0|1,0,1]=4 131 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,1,0,0,0|1,0,1]=4 132 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,1,0,0,0|1,0,1]=4 133 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,1,0,0,0|1,0,1]=4 134 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [0,1,1,0,0,0|1,1,0]=4 135 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [0,1,1,0,0,0|1,1,0]=4 136 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [0,1,1,0,0,0|2,0,0]=4 137 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [0,1,1,0,0,0|2,0,0]=4 138 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [0,1,1,0,0,0|1,1,0]=4 139 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [0,1,1,0,0,0|1,1,0]=4 140 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [0,1,1,0,0,0|1,1,0]=4 141 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [0,1,1,0,0,0|1,1,0]=4 142 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [0,1,0,0,0,1|2,0,0]=4 143 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [0,1,0,0,0,1|2,0,0]=4 144 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [0,1,0,0,0,1|2,0,0]=4 145 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [0,1,0,0,0,1|1,0,1]=4 146 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [0,1,0,0,0,1|2,0,0]=4 147 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [0,1,0,0,0,1|1,0,1]=4 148 B8R1.2 C=Cc1cnnnc1 271570a_100011290941_100009846058 [0,1,0,0,0,1|1,0,1]=4 149 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [0,1,0,0,0,1|2,0,0]=4 150 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [0,1,0,0,0,1|2,0,0]=4 151 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [0,1,0,0,0,1|2,0,0]=4 152 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [0,1,0,0,0,1|2,0,0]=4 153 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [0,1,0,0,0,1|2,0,0]=4 154 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [0,1,0,0,0,1|1,0,1]=4 155 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [0,1,0,0,0,1|1,0,1]=4 156 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [0,1,0,0,0,1|2,0,0]=4 157 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [0,1,0,0,0,1|2,0,0]=4 158 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [0,1,0,0,0,1|2,0,0]=4 159 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [0,1,0,0,0,1|2,0,0]=4 160 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [0,1,0,0,0,1|2,0,0]=4 161 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [0,1,0,0,0,1|2,0,0]=4 162 B8R1.2 CSc1ccnnc1 62a_100000732662_200000210301 [0,1,0,0,0,1|1,0,1]=4 163 B8R1.2 CSc1ccnnc1 62a_200000210301_100000732662 [0,1,0,0,0,1|1,0,1]=4 164 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [0,1,0,0,0,1|2,0,0]=4 165 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [0,1,0,0,0,1|2,0,0]=4 166 B8R1.2 CSc1cncnc1 62a_100011206942_200000210301 [0,1,0,0,0,1|1,0,1]=4 167 B8R1.2 CSc1cncnc1 62a_200000210301_100011206942 [0,1,0,0,0,1|1,0,1]=4 168 B8R1.2 CSc1cnnnc1 62a_100009846058_200000210301 [0,1,0,0,0,1|1,0,1]=4 169 B8R1.2 CSc1cnnnc1 62a_200000210301_100009846058 [0,1,0,0,0,1|1,0,1]=4 170 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [0,1,0,0,0,1|2,0,0]=4 171 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [0,1,0,0,0,1|2,0,0]=4 172 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [0,1,0,0,0,1|2,0,0]=4 173 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [0,1,0,0,0,1|1,0,1]=4 174 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [0,1,0,0,0,1|1,0,1]=4 175 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [0,1,0,0,0,1|2,0,0]=4 176 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [0,1,0,0,0,1|2,0,0]=4 177 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [0,1,0,0,0,1|2,0,0]=4 178 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [0,1,0,0,0,1|2,0,0]=4 179 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [0,1,0,0,0,1|2,0,0]=4 180 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [0,1,0,0,0,1|2,0,0]=4 181 B8R1.2 [13CH3]Sc1ccnnc1 62a_100000732662_200025704644 [0,1,0,0,0,1|1,0,1]=4 182 B8R1.2 [13CH3]Sc1ccnnc1 62a_200025704644_100000732662 [0,1,0,0,0,1|1,0,1]=4 183 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [0,1,0,0,0,1|2,0,0]=4 184 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [0,1,0,0,0,1|2,0,0]=4 185 B8R1.2 [13CH3]Sc1cncnc1 62a_100011206942_200025704644 [0,1,0,0,0,1|1,0,1]=4 186 B8R1.2 [13CH3]Sc1cncnc1 62a_200025704644_100011206942 [0,1,0,0,0,1|1,0,1]=4 187 B8R1.2 [13CH3]Sc1cnnnc1 62a_100009846058_200025704644 [0,1,0,0,0,1|1,0,1]=4 188 B8R1.2 [13CH3]Sc1cnnnc1 62a_200025704644_100009846058 [0,1,0,0,0,1|1,0,1]=4 189 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [0,1,0,0,0,1|2,0,0]=4 190 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [0,1,0,0,0,1|2,0,0]=4 191 B8R1.3 Cc1cnc(cn1)O 271570a_203496583355_100011999403 [0,1,0,0,0,1|2,0,0]=4 192 B8R1.3 Cc1cnc(nc1)O 271570a_203496583355_100011825175 [0,1,0,0,0,1|1,0,1]=4 193 B8R1.3 Cc1ncc(cn1)O 271570a_203496583355_100000686985 [0,1,0,0,0,1|1,0,1]=4 194 B8R1.3 Nc1ccc(cn1)O 271570a_203496583355_100000187370 [0,1,0,0,0,1|2,0,0]=4 195 B8R1.3 Nc1ccc(nc1)O 271570a_203496583355_100000744251 [0,1,0,0,0,1|2,0,0]=4 196 B8R1.3 Nc1cnc(cn1)O 271570a_203496583355_100000761932 [0,1,0,0,0,1|2,0,0]=4 197 B8R1.3 Nc1cnc(nc1)O 271570a_203496583355_100000068403 [0,1,0,0,0,1|1,0,1]=4 198 B8R1.3 Nc1ncc(cn1)O 271570a_203496583355_100000760574 [0,1,0,0,0,1|1,0,1]=4 199 B8R1.3 O=c1ccc(c[nH]1)O 271570a_203496583355_100000212171 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.3 O=c1ncc(c[nH]1)O 271570a_203496583355_102495366499 [0,1,0,0,0,1|1,0,0]=3 201 B8R1.3 Oc1ccc(cn1)Br 271570a_203496583355_100000686858 [0,1,0,0,0,1|1,1,0]=4 202 B8R1.3 Oc1ccc(cn1)Cl 271570a_203496583355_100011356976 [0,1,0,0,0,1|1,1,0]=4 203 B8R1.3 Oc1ccc(cn1)F 271570a_203496583355_100000744514 [0,1,0,0,0,1|1,1,0]=4 204 B8R1.3 Oc1ccc(nc1)Br 271570a_203496583355_100009814638 [0,1,0,0,0,1|2,0,0]=4 205 B8R1.3 Oc1ccc(nc1)Cl 271570a_203496583355_100000034144 [0,1,0,0,0,1|2,0,0]=4 206 B8R1.3 Oc1ccc(nc1)F 271570a_203496583355_100000748661 [0,1,0,0,0,1|2,0,0]=4 207 B8R1.3 Oc1ccc(nc1)O 271570a_203496583355_100000685995 [0,1,0,0,0,1|2,0,0]=4 208 B8R1.3 Oc1cnc(cn1)F 271570a_203496583355_100009856528 [0,1,0,0,0,1|1,1,0]=4 209 B8R1.3 Oc1cnc(nc1)Br 271570a_203496583355_200012349914 [0,1,0,0,0,1|1,0,1]=4 210 B8R1.3 Oc1cnc(nc1)F 271570a_203496583355_100000685262 [0,1,0,0,0,1|1,0,1]=4 211 B8R1.3 Oc1cnc(nc1)O 271570a_203496583355_100000730009 [0,1,0,0,0,1|1,0,1]=4 212 B8R1.3 Oc1ncc(cn1)Br 271570a_203496583355_100000690281 [0,1,0,0,0,1|0,1,1]=4 213 B8R1.3 Oc1ncc(cn1)Cl 271570a_203496583355_100011356929 [0,1,0,0,0,1|0,1,1]=4 214 B8R1.3 Oc1ncc(cn1)F 271570a_203496583355_100000685220 [0,1,0,0,0,1|0,1,1]=4 215 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [0,1,0,0,0,1|2,0,0]=4 216 B8R1.4 Cc1cc(ncn1)O 271570a_203496583355_100000744208 [0,1,0,0,0,1|2,0,0]=4 217 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [0,1,0,0,0,1|2,0,0]=4 218 B8R1.4 Cc1ccnc(n1)O 271570a_203496583355_100011243806 [0,1,0,0,0,1|2,0,0]=4 219 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [0,1,0,0,0,1|2,0,0]=4 220 B8R1.4 Cc1cncc(n1)O 271570a_203496583355_100009842155 [0,1,0,0,0,1|2,0,0]=4 221 B8R1.4 Cc1cnnc(c1)O 271570a_203496583355_100000070100 [0,1,0,0,0,1|1,0,1]=4 222 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [0,1,0,0,0,1|2,0,0]=4 223 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [0,1,0,0,0,1|2,0,0]=4 224 B8R1.4 Nc1cc(cnn1)O 271570a_203496583355_100000130277 [0,1,0,0,0,1|1,0,1]=4 225 B8R1.4 Nc1cc(ncn1)O 271570a_203496583355_100000701291 [0,1,0,0,0,1|2,0,0]=4 226 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [0,1,0,0,0,1|2,0,0]=4 227 B8R1.4 Nc1ccnc(n1)O 271570a_203496583355_100000757536 [0,1,0,0,0,1|2,0,0]=4 228 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [0,1,0,0,0,1|2,0,0]=4 229 B8R1.4 Nc1cncc(n1)O 271570a_203496583355_100009819714 [0,1,0,0,0,1|2,0,0]=4 230 B8R1.4 Nc1nccc(n1)O 271570a_203496583355_100009820717 [0,1,0,0,0,1|2,0,0]=4 231 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [0,1,0,0,0,1|2,0,0]=4 232 B8R1.4 O=c1cc(cn[nH]1)O 271570a_203496583355_100010197405 [0,1,0,0,0,1|1,0,0]=3 233 B8R1.4 O=c1nc(cc[nH]1)O 271570a_203496583355_200000134032 [0,1,0,0,0,1|2,0,0]=4 234 B8R1.4 Oc1cc(ccn1)Cl 271570a_203496583355_100010167805 [0,1,0,0,0,1|1,1,0]=4 235 B8R1.4 Oc1cc(ccn1)F 271570a_203496583355_100009817058 [0,1,0,0,0,1|1,1,0]=4 236 B8R1.4 Oc1cc(ncn1)F 271570a_203496583355_200009880791 [0,1,0,0,0,1|1,1,0]=4 237 B8R1.4 Oc1cc(ncn1)O 271570a_203496583355_100000765262 [0,1,0,0,0,1|2,0,0]=4 238 B8R1.4 Oc1ccnc(c1)Br 271570a_203496583355_100009814637 [0,1,0,0,0,1|2,0,0]=4 239 B8R1.4 Oc1ccnc(c1)Cl 271570a_203496583355_100000035001 [0,1,0,0,0,1|2,0,0]=4 240 B8R1.4 Oc1ccnc(c1)F 271570a_203496583355_100009816116 [0,1,0,0,0,1|2,0,0]=4 241 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [0,1,0,0,0,1|2,0,0]=4 242 B8R1.4 Oc1ccnc(n1)O 271570a_203496583355_100011649813 [0,1,0,0,0,1|2,0,0]=4 243 B8R1.4 Oc1cncc(c1)Br 271570a_203496583355_100000728054 [0,1,0,0,0,1|1,1,0]=4 244 B8R1.4 Oc1cncc(c1)Cl 271570a_203496583355_100000049639 [0,1,0,0,0,1|1,1,0]=4 245 B8R1.4 Oc1cncc(c1)F 271570a_203496583355_100000744099 [0,1,0,0,0,1|1,1,0]=4 246 B8R1.4 Oc1cncc(c1)O 271570a_203496583355_100000754920 [0,1,0,0,0,1|2,0,0]=4 247 B8R1.4 Oc1cncc(n1)F 271570a_203496583355_200009863489 [0,1,0,0,0,1|1,1,0]=4 248 B8R1.4 Oc1cncc(n1)O 271570a_203496583355_100011269956 [0,1,0,0,0,1|2,0,0]=4 249 B8R1.4 Oc1cnnc(c1)O 271570a_203496583355_200010734679 [0,1,0,0,0,1|1,0,1]=4 250 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,1,0,0,0,1|2,0,0]=4 251 B8R1.5 Cc1ccncc1O 271570a_203496583355_100000761580 [0,1,0,0,0,1|2,0,0]=4 252 B8R1.5 Cc1ccnnc1O 271570a_203496583355_100000089043 [0,1,0,0,0,1|1,0,1]=4 253 B8R1.5 Cc1cnccc1O 271570a_203496583355_100015191297 [0,1,0,0,0,1|2,0,0]=4 254 B8R1.5 Cc1cncnc1O 271570a_203496583355_100011998708 [0,1,0,0,0,1|1,0,1]=4 255 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,1,0,0,0,1|2,0,0]=4 256 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [0,1,0,0,0,1|2,0,0]=4 257 B8R1.5 Cc1ncncc1O 271570a_203496583355_100009819671 [0,1,0,0,0,1|1,0,1]=4 258 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [0,1,0,0,0,1|2,0,0]=4 259 B8R1.5 Nc1ccncc1O 271570a_203496583355_100000047001 [0,1,0,0,0,1|2,0,0]=4 260 B8R1.5 Nc1cnccc1O 271570a_203496583355_100009815883 [0,1,0,0,0,1|2,0,0]=4 261 B8R1.5 Nc1cncnc1O 271570a_203496583355_100000709731 [0,1,0,0,0,1|1,0,1]=4 262 B8R1.5 Nc1cnncc1O 271570a_203496583355_100009829405 [0,1,0,0,0,1|1,0,1]=4 263 B8R1.5 Nc1ncccc1O 271570a_203496583355_100000045569 [0,1,0,0,0,1|2,0,0]=4 264 B8R1.5 Nc1nccnc1O 271570a_203496583355_100000747729 [0,1,0,0,0,1|2,0,0]=4 265 B8R1.5 Nc1ncncc1O 271570a_203496583355_100011996079 [0,1,0,0,0,1|1,0,1]=4 266 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [0,1,0,0,0,1|2,0,0]=4 267 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [0,1,0,0,0,1|2,0,0]=4 268 B8R1.5 O=c1[nH]nccc1O 271570a_203496583355_100000087129 [0,1,0,0,0,1|1,0,0]=3 269 B8R1.5 O=c1cc[nH]cc1O 271570a_203496583355_100009998708 [0,1,0,0,0,1|2,0,0]=4 270 B8R1.5 Oc1c[nH]ccc1=S 271570a_203496583355_200012280681 [0,1,0,0,0,1|2,0,0]=4 271 B8R1.5 Oc1cccnc1Br 271570a_203496583355_100010202626 [0,1,0,0,0,1|2,0,0]=4 272 B8R1.5 Oc1cccnc1Cl 271570a_203496583355_100000036424 [0,1,0,0,0,1|2,0,0]=4 273 B8R1.5 Oc1cccnc1F 271570a_203496583355_100009816115 [0,1,0,0,0,1|2,0,0]=4 274 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [0,1,0,0,0,1|2,0,0]=4 275 B8R1.5 Oc1ccncc1Br 271570a_203496583355_100000726257 [0,1,0,0,0,1|1,1,0]=4 276 B8R1.5 Oc1ccncc1Cl 271570a_203496583355_100000708259 [0,1,0,0,0,1|1,1,0]=4 277 B8R1.5 Oc1ccncc1F 271570a_203496583355_100000047030 [0,1,0,0,0,1|1,1,0]=4 278 B8R1.5 Oc1ccncc1O 271570a_203496583355_100009817591 [0,1,0,0,0,1|2,0,0]=4 279 B8R1.5 Oc1cnccc1Br 271570a_203496583355_100010138639 [0,1,0,0,0,1|1,1,0]=4 280 B8R1.5 Oc1cnccc1Cl 271570a_203496583355_100009995489 [0,1,0,0,0,1|1,1,0]=4 281 B8R1.5 Oc1cnccc1F 271570a_203496583355_100009820683 [0,1,0,0,0,1|1,1,0]=4 282 B8R1.5 Oc1cncnc1Br 271570a_203496583355_200012461658 [0,1,0,0,0,1|1,0,1]=4 283 B8R1.5 Oc1cncnc1Cl 271570a_203496583355_100000758962 [0,1,0,0,0,1|1,0,1]=4 284 B8R1.5 Oc1cncnc1O 271570a_203496583355_100000751107 [0,1,0,0,0,1|1,0,1]=4 285 B8R1.5 Oc1ncccc1Br 271570a_203496583355_100000696092 [0,1,0,0,0,1|1,1,0]=4 286 B8R1.5 Oc1ncccc1Cl 271570a_203496583355_100011356963 [0,1,0,0,0,1|1,1,0]=4 287 B8R1.5 Oc1ncccc1F 271570a_203496583355_100000685392 [0,1,0,0,0,1|1,1,0]=4 288 B8R1.5 Oc1nccnc1F 271570a_203496583355_200010125657 [0,1,0,0,0,1|1,1,0]=4 289 B8R1.5 Oc1ncncc1F 271570a_203496583355_100000069762 [0,1,0,0,0,1|0,1,1]=4 290 B8R1.1 C=Cc1cn(nn1)C 271570a_100011290941_100000760339 [0,2,0,0,0,0|2,0,0]=4 291 B8R1.1 C=Cc1cnn(c1)C 271570a_100011290941_100000748075 [0,2,0,0,0,0|1,0,0]=3 292 B8R1.1 C=Cc1cnn(n1)C 271570a_100011290941_100000733932 [0,2,0,0,0,0|2,0,0]=4 293 B8R1.1 C=Cn1cc(cn1)O 271570a_203496583355_100009816630 [0,2,0,0,0,0|1,0,0]=3 294 B8R1.1 CCn1cc(cn1)O 271570a_203496583355_100011400201 [0,2,0,0,0,0|1,0,0]=3 295 B8R1.1 CCn1cc(nn1)C 274090a_100000204670_200000242740 [0,2,0,0,0,0|2,0,0]=4 296 B8R1.1 COc1cnn(c1)C 34a_100000707646_200000210301 [0,2,0,0,0,0|1,0,0]=3 297 B8R1.1 CSc1cn(nn1)C 62a_100000760339_200000210301 [0,2,0,0,0,0|2,0,0]=4 298 B8R1.1 CSc1cn(nn1)C 62a_200000210301_100000760339 [0,2,0,0,0,0|2,0,0]=4 299 B8R1.1 CSc1cnn(c1)C 62a_100000745744_200000210301 [0,2,0,0,0,0|1,0,0]=3 300 B8R1.1 CSc1cnn(c1)C 62a_200000210301_100000745744 [0,2,0,0,0,0|1,0,0]=3 301 B8R1.1 CSc1cnn(n1)C 62a_100000733932_200000210301 [0,2,0,0,0,0|2,0,0]=4 302 B8R1.1 CSc1cnn(n1)C 62a_200000210301_100000733932 [0,2,0,0,0,0|2,0,0]=4 303 B8R1.1 Cc1cn(nn1)CF 274090a_100015361967_200000242740 [0,2,0,0,0,0|2,0,0]=4 304 B8R1.1 Cn1cc(cn1)O[13CH3] 34a_100000707646_200025704644 [0,2,0,0,0,0|1,0,0]=3 305 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_100000745744_200025704644 [0,2,0,0,0,0|1,0,0]=3 306 B8R1.1 Cn1cc(cn1)S[13CH3] 62a_200025704644_100000745744 [0,2,0,0,0,0|1,0,0]=3 307 B8R1.1 Cn1cc(nn1)CBr 274090a_200000210301_100000184674 [0,2,0,0,0,0|1,1,0]=4 308 B8R1.1 Cn1cc(nn1)CCl 274090a_200000210301_100000038162 [0,2,0,0,0,0|1,1,0]=4 309 B8R1.1 Cn1cc(nn1)CN 274090a_200000210301_100000212058 [0,2,0,0,0,0|2,0,0]=4 310 B8R1.1 Cn1cc(nn1)CO 274090a_200000210301_100000210247 [0,2,0,0,0,0|2,0,0]=4 311 B8R1.1 Cn1cc(nn1)S[13CH3] 62a_100000760339_200025704644 [0,2,0,0,0,0|2,0,0]=4 312 B8R1.1 Cn1cc(nn1)S[13CH3] 62a_200025704644_100000760339 [0,2,0,0,0,0|2,0,0]=4 313 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_100000733932_200025704644 [0,2,0,0,0,0|2,0,0]=4 314 B8R1.1 Cn1ncc(n1)S[13CH3] 62a_200025704644_100000733932 [0,2,0,0,0,0|2,0,0]=4 315 B8R1.1 N#Cc1cc(c[nH]1)O 271570a_203496583355_100009952751 [0,2,0,0,0,0|2,0,0]=4 316 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [0,2,0,0,0,0|2,0,0]=4 317 B8R1.1 [13CH3]n1cc(nn1)CBr 274090a_200025704644_100000184674 [0,2,0,0,0,0|1,1,0]=4 318 B8R1.1 [13CH3]n1cc(nn1)CCl 274090a_200025704644_100000038162 [0,2,0,0,0,0|1,1,0]=4 319 B8R1.1 [13CH3]n1cc(nn1)CN 274090a_200025704644_100000212058 [0,2,0,0,0,0|2,0,0]=4 320 B8R1.1 [13CH3]n1cc(nn1)CO 274090a_200025704644_100000210247 [0,2,0,0,0,0|2,0,0]=4 321 B8R1.7 C=C(C)c1cn[nH]c1 271570a_100000694244_100000238712 [0,2,0,0,0,0|1,0,0]=3 322 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [0,2,0,0,0,0|2,0,0]=4 323 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [0,2,0,0,0,0|2,0,0]=4 324 B8R1.8 C=C=Cc1cn[nH]c1 271570a_100015277604_100000238712 [0,2,0,0,0,0|1,0,0]=3 325 B8R1.8 C=C=Cc1cnoc1 271570a_100015277604_100009815712 [0,2,0,0,0,0|2,0,0]=4 326 B8R1.8 C=C=Cc1cnsc1 271570a_100015277604_100009815736 [0,2,0,0,0,0|2,0,0]=4 327 B8R1.8 CC=Cc1cn[nH]c1 271570a_100016259895_100000238712 [0,2,0,0,0,0|1,0,0]=3 328 B8R1.8 CC=Cc1cnoc1 271570a_100016259895_100009815712 [0,2,0,0,0,0|2,0,0]=4 329 B8R1.8 CC=Cc1cnsc1 271570a_100016259895_100009815736 [0,2,0,0,0,0|2,0,0]=4 330 B8R1.8 CCSc1c[nH]nn1 62a_100000210202_100009819707 [0,2,0,0,0,0|2,0,0]=4 331 B8R1.8 CCSc1c[nH]nn1 62a_100009819707_100000210202 [0,2,0,0,0,0|2,0,0]=4 332 B8R1.8 CCSc1cn[nH]c1 62a_100000210202_100000238712 [0,2,0,0,0,0|1,0,0]=3 333 B8R1.8 CCSc1cn[nH]c1 62a_100000238712_100000210202 [0,2,0,0,0,0|1,0,0]=3 334 B8R1.8 CCSc1cnoc1 62a_100000210202_100009815712 [0,2,0,0,0,0|2,0,0]=4 335 B8R1.8 CCSc1cnoc1 62a_100009815712_100000210202 [0,2,0,0,0,0|2,0,0]=4 336 B8R1.8 CCSc1cnsc1 62a_100000210202_100009815736 [0,2,0,0,0,0|2,0,0]=4 337 B8R1.8 CCSc1cnsc1 62a_100009815736_100000210202 [0,2,0,0,0,0|2,0,0]=4 338 B8R1.8 CNCc1cn[nH]c1 207a_100102657272_100016992096 [0,2,0,0,0,0|1,0,0]=3 339 B8R1.8 CNCc1cn[nH]c1 270004a_106832991635_100016992096 [0,2,0,0,0,0|1,0,0]=3 340 B8R1.8 FCSc1c[nH]nn1 62a_100009819707_100015361967 [0,2,0,0,0,0|1,1,0]=4 341 B8R1.8 FCSc1c[nH]nn1 62a_100015361967_100009819707 [0,2,0,0,0,0|1,1,0]=4 342 B8R1.8 FCSc1cn[nH]c1 62a_100000238712_100015361967 [0,2,0,0,0,0|0,1,0]=3 343 B8R1.8 FCSc1cn[nH]c1 62a_100015361967_100000238712 [0,2,0,0,0,0|0,1,0]=3 344 B8R1.8 FCSc1cnoc1 62a_100009815712_100015361967 [0,2,0,0,0,0|1,1,0]=4 345 B8R1.8 FCSc1cnoc1 62a_100015361967_100009815712 [0,2,0,0,0,0|1,1,0]=4 346 B8R1.8 FCSc1cnsc1 62a_100009815736_100015361967 [0,2,0,0,0,0|1,1,0]=4 347 B8R1.8 FCSc1cnsc1 62a_100015361967_100009815736 [0,2,0,0,0,0|1,1,0]=4 348 B8R1.11 C=Cc1c[nH]nc1Br 271570a_100011290941_100011012988 [0,2,0,0,0,0|1,0,0]=3 349 B8R1.11 C=Cc1c[nH]nc1C 271570a_100011290941_100011912673 [0,2,0,0,0,0|1,0,0]=3 350 B8R1.11 C=Cc1c[nH]nc1F 271570a_100011290941_100015597042 [0,2,0,0,0,0|1,0,0]=3 351 B8R1.11 C=Cc1c[nH]nc1N 271570a_100011290941_100000717100 [0,2,0,0,0,0|1,0,0]=3 352 B8R1.11 C=Cc1cnoc1C 271570a_100011290941_100009872056 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.11 C=Cc1conc1N 271570a_100011290941_100012597345 [0,2,0,0,0,0|2,0,0]=4 354 B8R1.11 C=Cc1n[nH]cc1Br 271570a_100011290941_100015839836 [0,2,0,0,0,0|0,1,0]=3 355 B8R1.11 C=Cc1n[nH]cc1C 271570a_100011290941_100009871783 [0,2,0,0,0,0|1,0,0]=3 356 B8R1.11 C=Cc1n[nH]cc1N 271570a_100011290941_100010894806 [0,2,0,0,0,0|1,0,0]=3 357 B8R1.11 COc1n[nH]cc1O 271570a_203496583355_100010982843 [0,2,0,0,0,0|1,0,0]=3 358 B8R1.11 CSc1c[nH]nc1Br 62a_100011012988_200000210301 [0,2,0,0,0,0|1,0,0]=3 359 B8R1.11 CSc1c[nH]nc1Br 62a_200000210301_100011012988 [0,2,0,0,0,0|1,0,0]=3 360 B8R1.11 CSc1c[nH]nc1C 62a_100000692133_200000210301 [0,2,0,0,0,0|1,0,0]=3 361 B8R1.11 CSc1c[nH]nc1C 62a_200000210301_100000692133 [0,2,0,0,0,0|1,0,0]=3 362 B8R1.11 CSc1c[nH]nc1F 62a_100015597042_200000210301 [0,2,0,0,0,0|1,0,0]=3 363 B8R1.11 CSc1c[nH]nc1F 62a_200000210301_100015597042 [0,2,0,0,0,0|1,0,0]=3 364 B8R1.11 CSc1c[nH]nc1N 62a_100000717100_200000210301 [0,2,0,0,0,0|1,0,0]=3 365 B8R1.11 CSc1c[nH]nc1N 62a_200000210301_100000717100 [0,2,0,0,0,0|1,0,0]=3 366 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [0,2,0,0,0,0|2,0,0]=4 367 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [0,2,0,0,0,0|2,0,0]=4 368 B8R1.11 CSc1conc1N 62a_100012597345_200000210301 [0,2,0,0,0,0|2,0,0]=4 369 B8R1.11 CSc1conc1N 62a_200000210301_100012597345 [0,2,0,0,0,0|2,0,0]=4 370 B8R1.11 CSc1n[nH]cc1Br 62a_100015839836_200000210301 [0,2,0,0,0,0|0,1,0]=3 371 B8R1.11 CSc1n[nH]cc1Br 62a_200000210301_100015839836 [0,2,0,0,0,0|0,1,0]=3 372 B8R1.11 CSc1n[nH]cc1C 62a_100009871783_200000210301 [0,2,0,0,0,0|1,0,0]=3 373 B8R1.11 CSc1n[nH]cc1C 62a_200000210301_100009871783 [0,2,0,0,0,0|1,0,0]=3 374 B8R1.11 CSc1n[nH]cc1N 62a_100010894806_200000210301 [0,2,0,0,0,0|1,0,0]=3 375 B8R1.11 CSc1n[nH]cc1N 62a_200000210301_100010894806 [0,2,0,0,0,0|1,0,0]=3 376 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_100009871783_200025704644 [0,2,0,0,0,0|1,0,0]=3 377 B8R1.11 Cc1c[nH]nc1S[13CH3] 62a_200025704644_100009871783 [0,2,0,0,0,0|1,0,0]=3 378 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_100000692133_200025704644 [0,2,0,0,0,0|1,0,0]=3 379 B8R1.11 Cc1n[nH]cc1S[13CH3] 62a_200025704644_100000692133 [0,2,0,0,0,0|1,0,0]=3 380 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [0,2,0,0,0,0|2,0,0]=4 381 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [0,2,0,0,0,0|2,0,0]=4 382 B8R1.11 N#Cc1cn[nH]c1O 271570a_203496583355_100010888374 [0,2,0,0,0,0|1,0,0]=3 383 B8R1.11 N#Cc1n[nH]cc1O 271570a_203496583355_100009813407 [0,2,0,0,0,0|1,0,0]=3 384 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_100011012988_200025704644 [0,2,0,0,0,0|1,0,0]=3 385 B8R1.11 [13CH3]Sc1c[nH]nc1Br 62a_200025704644_100011012988 [0,2,0,0,0,0|1,0,0]=3 386 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_100015597042_200025704644 [0,2,0,0,0,0|1,0,0]=3 387 B8R1.11 [13CH3]Sc1c[nH]nc1F 62a_200025704644_100015597042 [0,2,0,0,0,0|1,0,0]=3 388 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_100000717100_200025704644 [0,2,0,0,0,0|1,0,0]=3 389 B8R1.11 [13CH3]Sc1c[nH]nc1N 62a_200025704644_100000717100 [0,2,0,0,0,0|1,0,0]=3 390 B8R1.11 [13CH3]Sc1conc1N 62a_100012597345_200025704644 [0,2,0,0,0,0|2,0,0]=4 391 B8R1.11 [13CH3]Sc1conc1N 62a_200025704644_100012597345 [0,2,0,0,0,0|2,0,0]=4 392 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_100015839836_200025704644 [0,2,0,0,0,0|0,1,0]=3 393 B8R1.11 [13CH3]Sc1n[nH]cc1Br 62a_200025704644_100015839836 [0,2,0,0,0,0|0,1,0]=3 394 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_100010894806_200025704644 [0,2,0,0,0,0|1,0,0]=3 395 B8R1.11 [13CH3]Sc1n[nH]cc1N 62a_200025704644_100010894806 [0,2,0,0,0,0|1,0,0]=3 396 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [0,2,0,0,0,0|1,0,0]=3 397 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [0,2,0,0,0,0|1,0,0]=3 398 B8R1.18 Cc1nn(nc1O)C 271570a_203496583355_200009884731 [0,2,0,0,0,0|2,0,0]=4 399 B8R1.18 Cn1cc(c(n1)N)O 271570a_203496583355_100010776223 [0,2,0,0,0,0|1,0,0]=3 400 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [0,2,0,0,0,0|1,0,1]=4 401 B8R1.50 Cc1[nH]nc(c1C)O 271570a_203496583355_100015309786 [0,2,0,0,0,0|1,0,0]=3 402 B8R1.50 Cc1c(cnn1C)O 271570a_203496583355_100000722751 [0,2,0,0,0,0|1,0,0]=3 403 B8R1.50 Cc1n[nH]c(c1O)C 271570a_203496583355_100000238710 [0,2,0,0,0,0|1,0,0]=3 404 B8R1.50 Cc1n[nH]c(c1O)N 271570a_203496583355_100000182022 [0,2,0,0,0,0|1,0,0]=3 405 B8R1.50 Cc1nnn(c1O)C 271570a_203496583355_100016037793 [0,2,0,0,0,0|2,0,0]=4 406 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [0,2,0,0,0,0|2,0,0]=4 407 B8R1.50 Cc1noc(c1O)N 271570a_203496583355_100000754107 [0,2,0,0,0,0|2,0,0]=4 408 B8R1.50 Cc1nsc(c1O)N 271570a_203496583355_100000701153 [0,2,0,0,0,0|2,0,0]=4 409 B8R1.50 Cc1onc(c1O)N 271570a_203496583355_100011216220 [0,2,0,0,0,0|2,0,0]=4 410 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [0,2,0,0,0,0|2,0,0]=4 411 B8R1.50 Cn1ncc(c1F)O 271570a_203496583355_200011161937 [0,2,0,0,0,0|1,0,0]=3