0 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.7 C=C(C)c1cn[nH]c1 271570a_100000694244_100000238712 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.7 C=C(C)c1nc[nH]n1 271570a_100000694244_100000761765 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,0,0|2,0,1]=3 16 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 C=C(C)c1nncs1 271570a_100000694244_100000739804 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,0,0|1,0,2]=3 20 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,0,0,0|1,0,2]=3 23 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,0,0|1,0,2]=3 26 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,0,0|2,0,1]=3 27 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,0,0,0|1,0,2]=3 29 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [1,0,0,0,0,0|1,0,2]=4 30 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [1,0,0,0,0,0|1,0,2]=4 31 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,0,0|1,0,1]=3 32 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,0,0,0,0,0|1,0,2]=4 36 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [1,0,0,0,0,0|1,0,2]=4 39 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [1,0,0,0,0,0|1,0,1]=3 40 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,0,0,0|1,0,2]=4 41 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,0,0,0,0,0|1,0,2]=4 42 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,0,0,0,0,0|2,0,1]=4 85 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,0,0,0,0,0|2,0,1]=4 89 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,0,0,0,0,0|2,0,1]=4 90 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,0,0,0,0,0|2,0,1]=4 95 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,0,0,0,0,0|2,0,1]=4 96 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,0,0,0,0,0|2,0,1]=4 99 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,0,0,0,0,0|2,0,1]=4 100 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,0,0,0,0,0|2,0,1]=4 101 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,0,0,0|1,0,2]=4 104 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,1,0,0,0,0|1,0,2]=4 107 B9R1.11 CCC(=O)N1CC=CC1 1626a_100015195280_100000210414 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.11 CCC(=O)N1CC=CC1 240690a_100015195280_100000210414 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,0,0,0|1,0,2]=4 110 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,0,0,0|1,0,2]=4 111 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,0,0,0|1,0,2]=4 112 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,1,0,0,0,0|1,0,2]=4 118 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,1,0,0,0,0|1,0,2]=4 119 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,1,0,0,0,0|1,0,2]=4 120 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,1,0,0,0,0|1,0,2]=4 121 B9R1.11 CNC(=O)N1CC=CC1 2708a_100102657272_100015195280 [0,1,0,0,0,0|2,0,1]=4 122 B9R1.11 CNC(=O)N1CC=CC1 273464a_100102657272_100015195280 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,1,0,0,0,0|1,0,1]=3 124 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.11 CNC(C)c1ccn[nH]1 269862a_106832991636_100000747476 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.11 CNC(C)c1ncc[nH]1 269862a_106832991636_100000718901 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,1,0,0,0,0|1,0,2]=4 130 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,1,0,0,0,0|1,0,2]=4 131 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,1,0,0,0,0|1,0,2]=4 132 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,1,0,0,0,0|1,0,2]=4 134 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,1,0,0,0,0|1,0,2]=4 135 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,1,0,0,0,0|1,0,2]=4 136 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,0,0,0|1,0,2]=4 137 B9R1.11 O=C(CF)C1=CCOC1 1458a_100000139269_100015361967 [0,1,0,0,0,0|2,0,1]=4 138 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.11 O=C(CF)C1CC=CC1 1458a_100000759439_100015361967 [0,1,0,0,0,0|1,0,2]=4 140 B9R1.11 O=C(CO)N1CC=CC1 240690a_100015195280_100000210174 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.35 C=C(C)c1cc([nH]n1)C 271570a_100000694244_100015199547 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.35 C=C(C)c1cc([nH]n1)N 271570a_100000694244_100009822546 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.35 C=C(C)c1cc(n[nH]1)Br 271570a_100000694244_100160470719 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.35 C=C(C)c1cc(ns1)C 271570a_100000694244_100009815735 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.35 C=C(C)c1ccn(n1)C 271570a_100000694244_100000752436 [0,1,0,0,0,0|2,0,1]=4 150 B9R1.35 C=C(C)c1cn(cn1)C 271570a_100000694244_100000040308 [0,1,0,0,0,0|2,0,1]=4 151 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,1,0,0,0,0|2,0,1]=4 154 B9R1.35 C=C(C)c1csc(n1)N 271570a_100000694244_100011998049 [0,1,0,0,0,0|2,0,1]=4 155 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.35 C=C(C)c1nc(cs1)Br 271570a_100000694244_200016082925 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.35 C=C(C)c1nc(cs1)N 271570a_100000694244_200015188442 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,1,0,0,0,0|0,0,3]=4 161 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,1,0,0,0,0|1,0,2]=4 162 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,1,0,0,0,0|1,0,2]=4 163 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,0,0|1,0,0]=2 164 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,0,0,0|0,0,0]=1 165 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,0,0|1,0,0]=2 166 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,0,0|1,0,0]=2 167 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [0,1,0,0,0,0|2,0,1]=4 168 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [0,1,0,0,0,0|2,0,1]=4 169 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,0,0,0|1,0,1]=3 172 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,0,0,0|1,0,1]=3 173 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,1,0,0,0,0|1,0,1]=3 174 B9R1.35 CC(N)c1cc(cs1)O 271570a_203496583355_100159270200 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,1,0,0,0,0|2,0,1]=4 176 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,0,0,0|1,0,0]=2 177 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,1,0,0,0,0|0,0,3]=4 185 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,1,0,0,0,0|1,0,2]=4 186 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,1,0,0,0,0|1,0,2]=4 187 B9R1.41 C=C(C)c1[nH]cnc1Cl 271570a_100000694244_100010200774 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.41 C=C(C)c1cncn1C 271570a_100000694244_100009814087 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.41 C=C(C)c1cscc1Br 271570a_100000694244_100010143727 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.41 C=C(C)c1n[nH]cc1Br 271570a_100000694244_100015839836 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.41 C=C(C)c1n[nH]cc1C 271570a_100000694244_100009871783 [0,1,0,0,0,0|2,0,1]=4 195 B9R1.41 C=C(C)c1n[nH]cc1N 271570a_100000694244_100010894806 [0,1,0,0,0,0|2,0,1]=4 196 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [0,1,0,0,0,0|2,0,1]=4 197 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.41 C=C(C)c1ncnn1C 271570a_100000694244_100000732653 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [0,1,0,0,0,0|2,0,1]=4 200 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,0,0|1,0,0]=2 204 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.41 CC(C)c1[nH]ncc1O 271570a_203496583355_100000690187 [0,1,0,0,0,0|2,0,1]=4 206 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,1,0,0,0,0|1,0,2]=4 207 B9R1.41 NC(=O)c1[nH]ncc1O 271570a_203496583355_200009820792 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,1,0,0,0,0|1,0,2]=4 210 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,0,1,0,0,0|1,0,0]=2 211 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,0,1,0,0,0|1,0,0]=2 212 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,0,1,0,0,0|1,0,2]=4 213 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,0,1,0,0,0|1,0,2]=4 214 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,0,1,0,0,0|1,0,2]=4 215 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,0,1,0,0,0|2,0,1]=4 216 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,0,1,0,0,0|2,0,1]=4 217 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,0,1,0,0,0|2,0,1]=4 218 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,0,1,0,0,0|2,0,1]=4 219 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [0,0,1,0,0,0|1,0,2]=4 220 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,0,1,0,0,0|1,0,2]=4 221 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,0,1,0,0,0|1,0,2]=4 222 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,0,1,0,0,0|1,0,2]=4 223 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [0,0,1,0,0,0|1,0,1]=3 224 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,0,1,0,0,0|1,0,2]=4 225 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,0,1,0,0,0|1,0,2]=4 226 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,0,1,0,0,0|1,0,2]=4 227 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,0,1,0,0,0|2,0,1]=4 228 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,1,0,0,0|1,0,2]=4 229 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,1,0,0,0|1,0,2]=4 230 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,1,0,0,0|1,0,2]=4 231 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,1,0,0,0|1,0,2]=4 232 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,1,0,0,0|1,0,2]=4 233 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,0,1,0,0,0|2,0,1]=4 234 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,0,1,0,0,0|2,0,1]=4 235 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,0,1,0,0,0|2,0,1]=4 236 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,0,1,0,0,0|2,0,1]=4 237 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,0,1,0,0,0|2,0,1]=4 238 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,0,1,0,0,0|1,0,2]=4 239 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,0,1,0,0,0|1,0,2]=4 240 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,0,1,0,0,0|2,0,1]=4 241 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,0,1,0,0,0|2,0,1]=4 242 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,0,1,0,0,0|2,0,1]=4 243 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,0,1,0,0,0|2,0,1]=4 244 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,1,0,0,0|1,0,2]=4 245 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,1,0,0,0|1,0,2]=4 246 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,1,0,0,0|1,0,2]=4 247 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,1,0,0,0|1,0,2]=4 248 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,0,1,0,0,0|1,0,2]=4 249 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,0,1,0,0,0|1,0,2]=4 250 B9R2.2 c1c[nH]c(n1)C2CC2 271570a_100011220607_100025796157 [0,0,0,1,0,0|2,0,1]=4 251 B9R2.2 c1coc(c1)C2CC2 271570a_100011220607_100009814098 [0,0,0,1,0,0|2,0,1]=4 252 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [0,0,0,1,0,0|2,0,1]=4 253 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,0,1|2,0,0]=3 254 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,0,1|1,0,1]=3 255 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,0,0,0,0,1|1,0,1]=3 256 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,0,0,0,0,1|1,0,1]=3 257 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [0,0,0,0,0,1|2,0,0]=3 258 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,0,0,0,0,1|1,0,1]=3 259 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [0,0,0,0,0,1|2,0,1]=4 260 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,0,0,0,0,1|1,0,1]=3 261 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [0,0,0,0,0,1|2,0,1]=4 262 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,0,0,0,0,1|1,0,1]=3 263 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,0,0,1|1,0,2]=4 264 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,0,0,1|1,0,2]=4 265 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,0,0,1|1,0,2]=4 266 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,0,0,0,0,1|1,0,2]=4 267 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,0,0,1|1,0,2]=4 268 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [0,0,0,0,0,1|2,0,1]=4 269 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,0,0,0,0,1|2,0,1]=4 270 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,0,0,0,0,1|2,0,1]=4 271 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,0,0,0,0,1|2,0,1]=4 272 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,0,0,1|1,0,2]=4 273 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,0,1|1,0,0]=2 274 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,0,0,0,0,1|3,0,0]=4 275 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,0,0,0,0,1|3,0,0]=4 276 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,0,0,0,0,1|3,0,0]=4 277 B9R1.6 CN(C)c1cccnn1 27a_100102631434_100016991348 [0,0,0,0,0,1|2,0,1]=4 278 B9R1.6 CN(C)c1ccncn1 27a_100102631434_100000703185 [0,0,0,0,0,1|2,0,1]=4 279 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [0,0,0,0,0,1|2,0,1]=4 280 B9R1.6 CN(C)c1ncccn1 27a_100102631434_100000211032 [0,0,0,0,0,1|2,0,1]=4 281 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,0,0,0,0,1|3,0,0]=4 282 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,0,0,0,0,1|3,0,0]=4 283 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,0,0,0,0,1|3,0,0]=4 284 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,0,0,1|1,0,2]=4 285 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,0,0,1|1,0,2]=4 286 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,0,0,1|1,0,2]=4 287 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,0,0,0,0,1|1,0,2]=4 288 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,0,0,1|1,0,2]=4 289 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,0,1|1,0,0]=2 290 B9R1.13 CC(=Cc1c[nH]cn1)C 271570a_100102525489_100000756875 [0,0,0,0,0,1|2,0,1]=4 291 B9R1.13 CC(=Cc1cc[nH]n1)C 271570a_100102525489_100000062575 [0,0,0,0,0,1|2,0,1]=4 292 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,0,0,0,1|2,0,0]=3 293 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,0,0,0,1|2,0,0]=3 294 B9R1.13 CC(=Cc1ccoc1)C 271570a_100102525489_100011215275 [0,0,0,0,0,1|3,0,0]=4 295 B9R1.13 CC(=Cc1ccsc1)C 271570a_100102525489_100000738268 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.13 CC(=Cc1ccsn1)C 271570a_100102525489_100009818082 [0,0,0,0,0,1|2,0,1]=4 297 B9R1.13 CC(=Cc1cnco1)C 271570a_100102525489_100020591547 [0,0,0,0,0,1|3,0,0]=4 298 B9R1.13 CC(=Cc1cncs1)C 271570a_100102525489_100011934649 [0,0,0,0,0,1|3,0,0]=4 299 B9R1.13 CC(=Cc1cscn1)C 271570a_100102525489_100000751502 [0,0,0,0,0,1|2,0,1]=4 300 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [0,0,0,0,0,1|2,0,0]=3 301 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,0,0,0,0,1|2,0,1]=4 302 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [0,0,0,0,0,1|2,0,1]=4 303 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,0,0,1|1,0,2]=4 304 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,0,0,1|1,0,2]=4 305 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,0,0,0,0,1|1,0,2]=4 306 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,0,1|1,0,1]=3 307 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,0,1|1,0,1]=3 308 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,0,1|0,0,0]=1 309 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,0,1|1,0,0]=2 310 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,0,1|1,0,0]=2 311 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,0,0,0,0,1|1,0,0]=2 312 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,0,0,0,0,1|1,0,0]=2 313 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,0,1|2,0,0]=3 314 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,0,1|1,0,1]=3 315 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,0,1|2,0,0]=3 316 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,0,1|2,0,0]=3 317 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,0,1|2,0,0]=3 318 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,0,1|1,0,1]=3 319 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,0,1|1,0,1]=3 320 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,0,1|1,0,1]=3 321 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,0,1|1,0,1]=3 322 B9R1.13 CC(=O)Cc1nnn[nH]1 1458a_100000070787_100000765167 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,0,1|2,0,0]=3 324 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,0,1|1,0,1]=3 325 B9R1.13 CC(=O)Cn1ccnc1 1458a_100000739072_200000210301 [0,0,0,0,0,1|3,0,0]=4 326 B9R1.13 CC(=O)Cn1ccnn1 1458a_100000080816_200000210301 [0,0,0,0,0,1|2,0,1]=4 327 B9R1.13 CC(=O)Cn1cncn1 1458a_100000070787_200020645497 [0,0,0,0,0,1|2,0,1]=4 328 B9R1.13 CC(=O)Cn1cncn1 1458a_100000699347_200000210301 [0,0,0,0,0,1|2,0,1]=4 329 B9R1.13 CC(=O)Cn1nccn1 1458a_100000080817_200000210301 [0,0,0,0,0,1|2,0,1]=4 330 B9R1.13 CC(=O)NC1C=CN=N1 11a_100134613517_100015343762 [0,0,0,0,0,1|1,0,2]=4 331 B9R1.13 CC(=O)NC1C=CN=N1 240690a_100134613517_100015343762 [0,0,0,0,0,1|1,0,2]=4 332 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [0,0,0,0,0,1|1,0,2]=4 333 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [0,0,0,0,0,1|1,0,2]=4 334 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [0,0,0,0,0,1|1,0,2]=4 335 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [0,0,0,0,0,1|1,0,2]=4 336 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [0,0,0,0,0,1|2,0,1]=4 337 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [0,0,0,0,0,1|2,0,1]=4 338 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [0,0,0,0,0,1|2,0,1]=4 339 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [0,0,0,0,0,1|2,0,1]=4 340 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100000210206_100025796157 [0,0,0,0,0,1|2,0,1]=4 341 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100025796157_100000210206 [0,0,0,0,0,1|2,0,1]=4 342 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [0,0,0,0,0,1|3,0,0]=4 343 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [0,0,0,0,0,1|3,0,0]=4 344 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [0,0,0,0,0,1|3,0,0]=4 345 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [0,0,0,0,0,1|3,0,0]=4 346 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [0,0,0,0,0,1|3,0,0]=4 347 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [0,0,0,0,0,1|3,0,0]=4 348 B9R1.13 CN(C)Cc1ccn[nH]1 2230a_100102631434_100000728653 [0,0,0,0,0,1|3,0,0]=4 349 B9R1.13 CN(C)Cc1ccn[nH]1 269982a_100102631434_100000728653 [0,0,0,0,0,1|3,0,0]=4 350 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100015184136_200000210301 [0,0,0,0,0,1|3,0,0]=4 351 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100102631434_100016991755 [0,0,0,0,0,1|3,0,0]=4 352 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100015184136_200000210301 [0,0,0,0,0,1|3,0,0]=4 353 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100102631434_100016991755 [0,0,0,0,0,1|3,0,0]=4 354 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [0,0,0,0,0,1|3,0,0]=4 355 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [0,0,0,0,0,1|3,0,0]=4 356 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [0,0,0,0,0,1|3,0,0]=4 357 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [0,0,0,0,0,1|3,0,0]=4 358 B9R1.13 CN([13CH3])Cc1ncc[nH]1 2230a_100015184136_200025704644 [0,0,0,0,0,1|3,0,0]=4 359 B9R1.13 CN([13CH3])Cc1ncc[nH]1 269982a_100015184136_200025704644 [0,0,0,0,0,1|3,0,0]=4 360 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,0,0,1|1,0,2]=4 361 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,0,0,1|1,0,2]=4 362 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,0,0,0,0,1|1,0,2]=4 363 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,0,1|1,0,1]=3 364 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,0,1|0,0,0]=1 365 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,0,1|1,0,0]=2 366 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,0,1|1,0,0]=2 367 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,0,0,0,0,1|1,0,0]=2 368 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,0,1|2,0,0]=3 369 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,0,1|2,0,0]=3 370 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,0,1|1,0,1]=3 371 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,0,1|2,0,0]=3 372 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,0,1|1,0,1]=3 373 B9R1.13 [13CH3]C(=O)Cn1ccnc1 1458a_100000739072_200025704644 [0,0,0,0,0,1|3,0,0]=4 374 B9R1.13 [13CH3]C(=O)Cn1ccnn1 1458a_100000080816_200025704644 [0,0,0,0,0,1|2,0,1]=4 375 B9R1.13 [13CH3]C(=O)Cn1cncn1 1458a_100000699347_200025704644 [0,0,0,0,0,1|2,0,1]=4 376 B9R1.13 [13CH3]C(=O)Cn1nccn1 1458a_100000080817_200025704644 [0,0,0,0,0,1|2,0,1]=4 377 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,1,0,0,0|0,0,2]=4 378 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,1,0,0,0|0,0,0]=2 379 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,1,0,0,0|0,0,0]=2 380 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,1,0,0,0|0,0,2]=4 381 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,1,0,0,0|0,0,2]=4 382 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,1,0,0,0|0,0,2]=4 383 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,1,0,0,0|0,0,1]=3 384 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,1,0,0,0|0,0,1]=3 385 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,1,0,0,0|0,0,1]=3 386 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,1,0,0,0|0,0,2]=4 387 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,1,0,0,0|0,0,2]=4 388 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,1,0,0,0|0,0,2]=4 389 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,1,0,0,0|1,0,1]=4 390 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|0,0,2]=4 391 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|0,0,2]=4 392 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,1,0,0,0|1,0,1]=4 393 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,1,0,0,0|1,0,1]=4 394 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,0,1,0,0,0|0,0,2]=4 395 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,1,0,0,0|0,0,2]=4 396 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,1,0,0,0|0,0,2]=4 397 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,0,1,0,0,0|0,0,2]=4 398 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,0,1,0,0,0|0,0,2]=4 399 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,0,1,0,0,0|1,0,1]=4 400 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,0,1,0,0,0|1,0,1]=4 401 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [2,0,0,0,0,0|1,0,1]=4 402 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [2,0,0,0,0,0|1,0,1]=4 403 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [2,0,0,0,0,0|1,0,1]=4 404 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,1,0,0,0|1,0,0]=3 405 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,1,1,0,0,0|1,0,0]=3 406 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,1,1,0,0,0|1,0,0]=3 407 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,1,1,0,0,0|1,0,0]=3 408 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,1,1,0,0,0|1,0,0]=3 409 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,1,1,0,0,0|0,0,2]=4 410 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,1,1,0,0,0|0,0,2]=4 411 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,1,1,0,0,0|0,0,2]=4 412 B8R0.6 C=CCNNC(=O)CC 22a_100020588587_100000210414 [0,1,1,0,0,0|1,0,1]=4 413 B8R0.6 C=CCNNC(=O)CO 22a_100020588587_100000210174 [0,1,1,0,0,0|1,0,1]=4 414 B8R0.6 C=CCNNC(=O)NC 273464a_100102657272_100020588587 [0,1,1,0,0,0|1,0,1]=4 415 B8R0.6 C=CCNNC(=O)NC 512a_100020588587_100102657272 [0,1,1,0,0,0|1,0,1]=4 416 B8R0.6 C=CCNNC(=O)NC 512a_106832991638_100020588587 [0,1,1,0,0,0|1,0,1]=4 417 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [0,1,1,0,0,0|1,0,1]=4 418 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [0,1,1,0,0,0|1,0,1]=4 419 B8R0.8 C=CCNC(=O)C(=C)C 1626a_100020586998_100000185857 [0,1,1,0,0,0|1,0,1]=4 420 B8R0.8 C=CCNC(=O)C(=O)N 240690a_100020586998_100011215815 [0,1,1,0,0,0|1,0,1]=4 421 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,1,1,0,0,0|0,0,2]=4 422 B8R0.9 C=CC(=NNC(=O)C)C 4a_100000189765_200015361842 [0,1,1,0,0,0|1,0,1]=4 423 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,1,1,0,0,0|2,0,0]=4 424 B8R0.9 C=CC(=O)NCC(=C)C 1626a_100000765925_100000185746 [0,1,1,0,0,0|1,0,1]=4 425 B8R0.9 C=CC(=O)NCC(=C)C 240690a_100000765925_200121576911 [0,1,1,0,0,0|1,0,1]=4 426 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,1,1,0,0,0|0,0,1]=3 427 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [0,1,1,0,0,0|1,0,1]=4 428 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,1,1,0,0,0|0,0,1]=3 429 B8R0.9 C=CC(=O)NNC(=O)C 22a_100000189765_100000185746 [0,1,1,0,0,0|1,0,0]=3 430 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,1,0,0,0|1,0,0]=3 431 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,1,0,0,0|1,0,0]=3 432 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,1,1,0,0,0|2,0,0]=4 433 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,1,1,0,0,0|2,0,0]=4 434 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,1,1,0,0,0|1,0,1]=4 435 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,1,1,0,0,0|1,0,1]=4 436 B8R0.2 C=CC(=O)C(C)C(=O)C 1458a_100000185746_100000179758 [0,1,1,0,0,0|1,0,1]=4 437 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,1,1,0,0,0|1,0,1]=4 438 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,1,0,0,0,0|1,0,1]=4 439 B8R1.1 C=Cc1cc(n[nH]1)Br 271570a_100011290941_100160470719 [1,1,0,0,0,0|1,0,1]=4 440 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [1,1,0,0,0,0|1,0,1]=4 441 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,1,0,0,0,0|1,0,1]=4 442 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [1,1,0,0,0,0|1,0,1]=4 443 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [1,1,0,0,0,0|1,0,1]=4 444 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,1,0,0,0,0|1,0,1]=4 445 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.1 CSc1cc(n[nH]1)Br 62a_100160470719_200000210301 [1,1,0,0,0,0|2,0,0]=4 449 B8R1.1 CSc1cc(n[nH]1)Br 62a_200000210301_100160470719 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [1,1,0,0,0,0|2,0,0]=4 452 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [1,1,0,0,0,0|2,0,0]=4 454 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [1,1,0,0,0,0|2,0,0]=4 455 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [1,1,0,0,0,0|2,0,0]=4 456 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [1,1,0,0,0,0|2,0,0]=4 458 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [1,1,0,0,0,0|2,0,0]=4 459 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [1,1,0,0,0,0|2,0,0]=4 462 B8R1.1 N#Cc1cc(c[nH]1)O 271570a_203496583355_100009952751 [1,1,0,0,0,0|1,0,1]=4 463 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,1,0,0,0,0|2,0,0]=4 464 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,1,0,0,0,0|1,0,0]=3 465 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,1,0,0,0,0|1,0,0]=3 466 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,1,0,0,0,0|1,0,0]=3 467 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,1,0,0,0,0|1,0,0]=3 468 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [1,1,0,0,0,0|2,0,0]=4 469 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,1,0,0,0,0|2,0,0]=4 470 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [1,1,0,0,0,0|1,0,1]=4 471 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [1,1,0,0,0,0|1,0,1]=4 472 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [1,1,0,0,0,0|1,0,1]=4 473 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_100160470719_200025704644 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.1 [13CH3]Sc1cc(n[nH]1)Br 62a_200025704644_100160470719 [1,1,0,0,0,0|2,0,0]=4 475 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [1,1,0,0,0,0|2,0,0]=4 476 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [1,1,0,0,0,0|2,0,0]=4 477 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,1,0,0,0,0|1,0,1]=4 478 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [1,1,0,0,0,0|1,0,1]=4 479 B8R1.8 C=C=Cc1ncc[nH]1 271570a_100015277604_100025796157 [1,1,0,0,0,0|1,0,1]=4 480 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [1,1,0,0,0,0|1,0,1]=4 481 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [1,1,0,0,0,0|1,0,1]=4 482 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,1,0,0,0,0|1,0,0]=3 483 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,1,0,0,0,0|1,0,0]=3 484 B8R1.8 CC=Cc1ccoc1 271570a_100016259895_100011215275 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.8 CC=Cc1ccsc1 271570a_100016259895_100000738268 [1,1,0,0,0,0|2,0,0]=4 486 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [1,1,0,0,0,0|1,0,1]=4 487 B8R1.8 CC=Cc1cnco1 271570a_100016259895_100020591547 [1,1,0,0,0,0|2,0,0]=4 488 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [1,1,0,0,0,0|2,0,0]=4 489 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [1,1,0,0,0,0|1,0,1]=4 490 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [1,1,0,0,0,0|1,0,0]=3 491 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,1,0,0,0,0|1,0,1]=4 492 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,1,0,0,0,0|1,0,1]=4 493 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,1,0,0,0,0|1,0,1]=4 494 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,1,0,0,0,0|1,0,1]=4 495 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,1,0,0,0,0|1,0,1]=4 496 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,1,0,0,0,0|1,0,1]=4 497 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [1,1,0,0,0,0|1,0,1]=4 498 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [1,1,0,0,0,0|1,0,1]=4 499 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,1,0,0,0,0|1,0,1]=4 500 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,1,0,0,0,0|1,0,1]=4 501 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,1,0,0,0,0|1,0,1]=4 502 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,1,0,0,0,0|1,0,1]=4 503 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,1,0,0,0,0|1,0,1]=4 504 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,1,0,0,0,0|1,0,1]=4 505 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,1,0,0,0,0|1,0,1]=4 506 B8R1.8 CNCc1ccn[nH]1 2230a_106832991635_100000728653 [1,1,0,0,0,0|1,0,1]=4 507 B8R1.8 CNCc1ccn[nH]1 34a_100102657272_100000728653 [1,1,0,0,0,0|1,0,1]=4 508 B8R1.8 CNCc1ccn[nH]1 7a_106832991635_100000728653 [1,1,0,0,0,0|1,0,1]=4 509 B8R1.8 CNCc1cnc[nH]1 207a_100102657272_100000742939 [1,1,0,0,0,0|1,0,1]=4 510 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [1,1,0,0,0,0|1,0,1]=4 511 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [1,1,0,0,0,0|1,0,1]=4 512 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [1,1,0,0,0,0|1,0,1]=4 513 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [1,1,0,0,0,0|1,0,1]=4 514 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,1,0,0,0,0|1,0,1]=4 515 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,1,0,0,0,0|1,0,1]=4 516 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [1,1,0,0,0,0|1,0,1]=4 517 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,1,0,0,0,0|1,0,1]=4 518 B8R1.8 CSCc1ccn[nH]1 62a_100000728653_200000210301 [1,1,0,0,0,0|1,0,1]=4 519 B8R1.8 CSCc1ccn[nH]1 62a_200000210301_100000728653 [1,1,0,0,0,0|1,0,1]=4 520 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,1,0,0,0,0|1,0,1]=4 521 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,1,0,0,0,0|1,0,1]=4 522 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [1,1,0,0,0,0|2,0,0]=4 523 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [1,1,0,0,0,0|2,0,0]=4 524 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [1,1,0,0,0,0|2,0,0]=4 525 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [1,1,0,0,0,0|2,0,0]=4 526 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [1,1,0,0,0,0|2,0,0]=4 527 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [1,1,0,0,0,0|2,0,0]=4 528 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,1,0,0,0,0|1,0,1]=4 529 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,1,0,0,0,0|1,0,1]=4 530 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,1,0,0,0,0|1,0,1]=4 531 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,1,0,0,0,0|1,0,1]=4 532 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,1,0,0,0,0|1,0,1]=4 533 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_100000728653_200025704644 [1,1,0,0,0,0|1,0,1]=4 534 B8R1.8 [13CH3]SCc1ccn[nH]1 62a_200025704644_100000728653 [1,1,0,0,0,0|1,0,1]=4 535 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,1,0,0,0,0|1,0,1]=4 536 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,1,0,0,0,0|1,0,1]=4 537 B8R1.11 C=Cc1[nH]cnc1Cl 271570a_100011290941_100010200774 [1,1,0,0,0,0|1,0,1]=4 538 B8R1.11 C=Cc1ccnn1C 271570a_100011290941_100000688441 [1,1,0,0,0,0|1,0,1]=4 539 B8R1.11 C=Cc1cncn1C 271570a_100011290941_100009814087 [1,1,0,0,0,0|1,0,1]=4 540 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [1,1,0,0,0,0|1,0,1]=4 541 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [1,1,0,0,0,0|1,0,1]=4 542 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [1,1,0,0,0,0|1,0,1]=4 543 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [1,1,0,0,0,0|2,0,0]=4 544 B8R1.11 CSc1[nH]cnc1Cl 62a_100010200774_200000210301 [1,1,0,0,0,0|2,0,0]=4 545 B8R1.11 CSc1[nH]cnc1Cl 62a_200000210301_100010200774 [1,1,0,0,0,0|2,0,0]=4 546 B8R1.11 CSc1ccnn1C 62a_100000688441_200000210301 [1,1,0,0,0,0|2,0,0]=4 547 B8R1.11 CSc1ccnn1C 62a_200000210301_100000688441 [1,1,0,0,0,0|2,0,0]=4 548 B8R1.11 CSc1cncn1C 62a_100009814087_200000210301 [1,1,0,0,0,0|2,0,0]=4 549 B8R1.11 CSc1cncn1C 62a_200000210301_100009814087 [1,1,0,0,0,0|2,0,0]=4 550 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [1,1,0,0,0,0|2,0,0]=4 551 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [1,1,0,0,0,0|2,0,0]=4 552 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [1,1,0,0,0,0|2,0,0]=4 553 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [1,1,0,0,0,0|2,0,0]=4 554 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,1,0,0,0,0|2,0,0]=4 555 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,1,0,0,0,0|2,0,0]=4 556 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,1,0,0,0,0|2,0,0]=4 557 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,1,0,0,0,0|2,0,0]=4 558 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,1,0,0,0,0|2,0,0]=4 559 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [1,1,0,0,0,0|2,0,0]=4 560 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [1,1,0,0,0,0|2,0,0]=4 561 B8R1.11 Cn1cncc1S[13CH3] 62a_100009814087_200025704644 [1,1,0,0,0,0|2,0,0]=4 562 B8R1.11 Cn1cncc1S[13CH3] 62a_200025704644_100009814087 [1,1,0,0,0,0|2,0,0]=4 563 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [1,1,0,0,0,0|2,0,0]=4 564 B8R1.11 Cn1nccc1S[13CH3] 62a_100000688441_200025704644 [1,1,0,0,0,0|2,0,0]=4 565 B8R1.11 Cn1nccc1S[13CH3] 62a_200025704644_100000688441 [1,1,0,0,0,0|2,0,0]=4 566 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [1,1,0,0,0,0|2,0,0]=4 567 B8R1.11 O=Cc1cscc1O 271570a_203496583355_100000685484 [1,1,0,0,0,0|2,0,0]=4 568 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,1,0,0,0,0|1,0,0]=3 569 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,1,0,0,0,0|1,0,0]=3 570 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_100010200774_200025704644 [1,1,0,0,0,0|2,0,0]=4 571 B8R1.11 [13CH3]Sc1[nH]cnc1Cl 62a_200025704644_100010200774 [1,1,0,0,0,0|2,0,0]=4 572 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [1,1,0,0,0,0|2,0,0]=4 573 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [1,1,0,0,0,0|2,0,0]=4 574 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,1,0,0,1,0|0,0,2]=4 575 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,1,0,0,1,0|0,0,2]=4 576 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [0,1,0,0,0,1|1,0,0]=3 578 B10R1.13 C=C(C)c1ccc(=O)[nH]n1 271570a_100000694244_100009820020 [0,1,0,0,0,1|1,0,0]=3 579 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,1,0,0,0,1|2,0,0]=4 583 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,1,0,0,0,1|2,0,0]=4 584 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,1,0,0,0,1|2,0,0]=4 586 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [0,1,0,0,0,1|1,0,1]=4 587 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,0,0,1|1,0,1]=4 588 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,1,0,0,0,1|1,0,1]=4 589 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [0,1,0,0,0,1|1,0,1]=4 590 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [0,1,0,0,0,1|1,0,1]=4 591 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,1,0,0,0,1|1,0,1]=4 592 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [0,1,0,0,0,1|1,0,1]=4 593 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,1,0,0,0,1|1,0,1]=4 594 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [0,1,0,0,0,1|1,0,1]=4 595 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [0,1,0,0,0,1|1,0,1]=4 596 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [0,1,0,0,0,1|1,0,1]=4 597 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [0,1,0,0,0,1|1,0,1]=4 598 B10R1.13 C=C(C)c1ccc(nn1)N 271570a_100000694244_100009816609 [0,1,0,0,0,1|1,0,1]=4 599 B10R1.13 C=C(C)c1cnc(=O)[nH]c1 271570a_100000694244_102495366499 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [0,1,0,0,0,1|1,0,1]=4 601 B10R1.13 C=C(C)c1cnc(cn1)F 271570a_100000694244_100009856528 [0,1,0,0,0,1|1,0,1]=4 602 B10R1.13 C=C(C)c1cnc(cn1)N 271570a_100000694244_100000761932 [0,1,0,0,0,1|1,0,1]=4 603 B10R1.13 C=C(C)c1ncc(cn1)Br 271570a_100000694244_100000690281 [0,1,0,0,0,1|1,0,1]=4 604 B10R1.13 C=C(C)c1ncc(cn1)C 271570a_100000694244_100011825175 [0,1,0,0,0,1|1,0,1]=4 605 B10R1.13 C=C(C)c1ncc(cn1)Cl 271570a_100000694244_100011356929 [0,1,0,0,0,1|1,0,1]=4 606 B10R1.13 C=C(C)c1ncc(cn1)F 271570a_100000694244_100000685220 [0,1,0,0,0,1|1,0,1]=4 607 B10R1.13 C=C(C)c1ncc(cn1)N 271570a_100000694244_100000068403 [0,1,0,0,0,1|1,0,1]=4 608 B10R1.13 C=C(C)c1ncc(cn1)O 271570a_100000694244_100000730009 [0,1,0,0,0,1|1,0,1]=4 609 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,1,0,0,0,1|0,0,2]=4 610 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,0,1|1,0,0]=3 611 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,0,1|1,0,0]=3 612 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,0,1|1,0,0]=3 613 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,0,1|1,0,0]=3 614 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,0,1|1,0,0]=3 615 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,0,1|1,0,0]=3 616 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,0,1|1,0,0]=3 617 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,0,1|0,0,1]=3 618 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,0,1|0,0,1]=3 619 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,1,0,0,0,1|0,0,1]=3 620 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,1,0,0,0,1|1,0,1]=4 621 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,1,0,0,0,1|0,0,1]=3 622 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.13 CS(=O)c1ncc(cn1)O 271570a_203496583355_100010117237 [0,1,0,0,0,1|1,0,1]=4 624 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,0,1|1,0,0]=3 625 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,0,1|1,0,1]=4 627 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,0,1|1,0,1]=4 628 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,1,0,0,0,1|1,0,1]=4 629 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,1,0,0,0,1|1,0,1]=4 630 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,1,0,0,0,1|1,0,1]=4 631 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,1,0,0,0,1|0,0,2]=4 632 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,0,1|1,0,0]=3 633 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,0,1|1,0,0]=3 634 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,0,1|1,0,0]=3 635 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,0,1|1,0,0]=3 636 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,0,1|1,0,0]=3 637 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,1,0,0,0,1|1,0,0]=3 638 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,1,0,0,0,1|1,0,0]=3 639 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,1,0,0,0,1|1,0,0]=3 640 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,1,0,0,0,1|1,0,0]=3 641 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,1,0,0,0,1|1,0,0]=3 642 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,1,0,0,0,1|1,0,0]=3 643 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,1,0,0,0,1|1,0,0]=3 644 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [0,1,0,0,0,1|1,0,0]=3 645 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,1,0,0,0,1|1,0,0]=3 646 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,1,0,0,0,1|1,0,1]=4 647 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [0,1,0,0,0,1|1,0,1]=4 648 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,1,0,0,0,1|1,0,1]=4 655 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,1,0,0,0,1|1,0,1]=4 656 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,1,0,0,0,1|1,0,1]=4 657 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,1,0,0,0,1|1,0,1]=4 658 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,1,0,0,0,1|1,0,1]=4 659 B10R1.61 C=C(C)c1ccn[nH]c1=O 271570a_100000694244_100000087129 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [0,1,0,0,0,1|2,0,0]=4 663 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [0,1,0,0,0,1|2,0,0]=4 665 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,1,0,0,0,1|1,0,1]=4 667 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,1,0,0,0,1|1,0,1]=4 668 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,1,0,0,0,1|1,0,1]=4 669 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,1,0,0,0,1|1,0,1]=4 670 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,1,0,0,0,1|1,0,1]=4 671 B10R1.61 C=C(C)c1ncc[nH]c1=O 271570a_100000694244_100000763361 [0,1,0,0,0,1|1,0,1]=4 672 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,1,0,0,0,1|1,0,1]=4 673 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,1,0,0,0,1|1,0,1]=4 674 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,1,0,0,0,1|1,0,1]=4 675 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,1,0,0,0,1|1,0,1]=4 676 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,1,0,0,0,1|1,0,1]=4 677 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,1,0,0,0,1|1,0,1]=4 678 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [0,1,0,0,0,1|1,0,1]=4 679 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [0,1,0,0,0,1|1,0,1]=4 680 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [0,1,0,0,0,1|1,0,1]=4 681 B10R1.61 C=C(C)c1ncncc1C 271570a_100000694244_100011998708 [0,1,0,0,0,1|1,0,1]=4 682 B10R1.61 C=C(C)c1ncncc1F 271570a_100000694244_100000069762 [0,1,0,0,0,1|1,0,1]=4 683 B10R1.61 C=C(C)c1ncncc1N 271570a_100000694244_100000709731 [0,1,0,0,0,1|1,0,1]=4 684 B10R1.61 C=C(C)c1nnccc1C 271570a_100000694244_100000089043 [0,1,0,0,0,1|1,0,1]=4 685 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,0,1|1,0,0]=3 686 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,0,1|1,0,0]=3 687 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,0,1|1,0,0]=3 688 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,0,1|1,0,0]=3 689 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,0,1|1,0,0]=3 690 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,0,1|1,0,0]=3 691 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,0,1|1,0,0]=3 692 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,0,1|1,0,0]=3 693 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,0,1|0,0,1]=3 694 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,1,0,0,0,1|1,0,0]=3 695 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,0,1|0,0,1]=3 696 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,0,1|0,0,1]=3 697 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,1,0,0,0,1|0,0,1]=3 698 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,0,1|1,0,0]=3 700 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,0,1|2,0,0]=4 701 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,0,1|1,0,1]=4 702 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,0,1|1,0,1]=4 704 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,0,1|1,0,1]=4 705 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,1,0,0,0,1|1,0,1]=4 706 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,0,1|1,0,0]=3 707 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,0,1|1,0,0]=3 708 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,0,1|1,0,0]=3 709 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,0,1|1,0,0]=3 710 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,0,1|1,0,0]=3 711 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,0,1|1,0,0]=3 712 B10R1.113 C=C(C)c1c[n+](ccn1)[O-] 271570a_100000694244_100009880115 [0,1,0,0,0,1|1,0,1]=4 713 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,1,0,0,0,1|1,0,1]=4 714 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,1,0,0,0,1|1,0,1]=4 715 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,1,0,0,0,1|1,0,1]=4 716 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,1,0,0,0,1|1,0,1]=4 717 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,1,0,0,0,1|1,0,1]=4 718 B10R1.113 C=C(C)c1cc(cnn1)C 271570a_100000694244_100000070100 [0,1,0,0,0,1|1,0,1]=4 719 B10R1.113 C=C(C)c1cc(cnn1)O 271570a_100000694244_200010734679 [0,1,0,0,0,1|1,0,1]=4 720 B10R1.113 C=C(C)c1cc(ncn1)C 271570a_100000694244_100000744208 [0,1,0,0,0,1|1,0,1]=4 721 B10R1.113 C=C(C)c1cc(ncn1)F 271570a_100000694244_200009880791 [0,1,0,0,0,1|1,0,1]=4 722 B10R1.113 C=C(C)c1cc(ncn1)N 271570a_100000694244_100000701291 [0,1,0,0,0,1|1,0,1]=4 723 B10R1.113 C=C(C)c1cc(ncn1)O 271570a_100000694244_100000765262 [0,1,0,0,0,1|1,0,1]=4 724 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.113 C=C(C)c1cc[nH]c(=O)n1 271570a_100000694244_200000134032 [0,1,0,0,0,1|1,0,1]=4 726 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [0,1,0,0,0,1|1,0,1]=4 727 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [0,1,0,0,0,1|1,0,1]=4 728 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [0,1,0,0,0,1|1,0,0]=3 729 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,1,0,0,0,1|2,0,0]=4 733 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,1,0,0,0,1|1,0,1]=4 738 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,0,1|1,0,1]=4 739 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,1,0,0,0,1|1,0,1]=4 740 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,1,0,0,0,1|1,0,1]=4 741 B10R1.113 C=C(C)c1ccnc(c1)Br 271570a_100000694244_100009814637 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.113 C=C(C)c1ccnc(c1)F 271570a_100000694244_100009816116 [0,1,0,0,0,1|2,0,0]=4 745 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.113 C=C(C)c1ccnc(n1)C 271570a_100000694244_100000749937 [0,1,0,0,0,1|1,0,1]=4 747 B10R1.113 C=C(C)c1ccnc(n1)N 271570a_100000694244_100009820717 [0,1,0,0,0,1|1,0,1]=4 748 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [0,1,0,0,0,1|1,0,1]=4 749 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,1,0,0,0,1|1,0,1]=4 750 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [0,1,0,0,0,1|1,0,1]=4 751 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [0,1,0,0,0,1|1,0,1]=4 752 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [0,1,0,0,0,1|1,0,1]=4 753 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [0,1,0,0,0,1|1,0,1]=4 754 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [0,1,0,0,0,1|1,0,1]=4 755 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [0,1,0,0,0,1|1,0,1]=4 756 B10R1.113 C=C(C)c1cncc(n1)F 271570a_100000694244_200009863489 [0,1,0,0,0,1|1,0,1]=4 757 B10R1.113 C=C(C)c1cncc(n1)N 271570a_100000694244_100009819714 [0,1,0,0,0,1|1,0,1]=4 758 B10R1.113 C=C(C)c1cncc(n1)O 271570a_100000694244_100011269956 [0,1,0,0,0,1|1,0,1]=4 759 B10R1.113 C=C(C)c1nccc(n1)C 271570a_100000694244_100011243806 [0,1,0,0,0,1|1,0,1]=4 760 B10R1.113 C=C(C)c1nccc(n1)N 271570a_100000694244_100000757536 [0,1,0,0,0,1|1,0,1]=4 761 B10R1.113 C=C(C)c1nccc(n1)O 271570a_100000694244_100011649813 [0,1,0,0,0,1|1,0,1]=4 762 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,0,1|0,0,1]=3 763 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,0,1|1,0,0]=3 764 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,0,1|1,0,0]=3 765 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,0,1|1,0,0]=3 766 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,0,1|1,0,0]=3 767 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,0,1|1,0,0]=3 768 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,0,1|1,0,0]=3 769 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,0,1|1,0,0]=3 770 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,1|0,0,1]=3 771 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,1,0,0,0,1|1,0,0]=3 772 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,0,1|0,0,1]=3 773 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,0,1|0,0,1]=3 774 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,1,0,0,0,1|2,0,0]=4 775 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,0,1|1,0,0]=3 776 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,0,1|1,0,1]=4 777 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,1,0,0,0,1|1,0,1]=4 778 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,0,1|2,0,0]=4 779 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,1|1,0,1]=4 780 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,1,0,0,0,1|2,0,0]=4 781 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,1,0,0,0,1|1,0,1]=4 782 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,0,1|1,0,1]=4 783 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,1,0,0,0,1|1,0,1]=4 784 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,0,1|1,0,0]=3 785 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,0,1|1,0,0]=3 786 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,0,1|1,0,0]=3 787 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,0,1|1,0,0]=3 788 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,0,1|1,0,0]=3 789 B10R1.23 CC(=C(C)c1ccco1)C 271570a_200000049429_100009814098 [0,1,0,0,0,1|2,0,0]=4 790 B10R1.23 CC(=C(C)c1cccs1)C 271570a_200000049429_100011215356 [0,1,0,0,0,1|2,0,0]=4 791 B10R1.23 CC(=C(C)c1ncc[nH]1)C 271570a_200000049429_100025796157 [0,1,0,0,0,1|2,0,0]=4 792 B10R1.23 CC(=O)C(C)n1cccc1 1458a_100000243804_200000210301 [0,1,0,0,0,1|2,0,0]=4 793 B10R1.23 CC(C(=O)[13CH3])n1cccc1 1458a_100000243804_200025704644 [0,1,0,0,0,1|2,0,0]=4 794 B10R1.27 C#CC(=O)Cc1ccn[nH]1 1458a_100000211873_100000728653 [0,1,0,0,0,1|1,0,1]=4 795 B10R1.27 C=CC(=O)Cc1ccn[nH]1 1458a_100000185746_100000728653 [0,1,0,0,0,1|1,0,1]=4 796 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,1,0,0,0,1|1,0,1]=4 797 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,1,0,0,0,1|1,0,1]=4 798 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,1,0,0,0,1|0,0,0]=2 799 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,1,0,0,0,1|1,0,0]=3 800 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,1,0,0,0,1|1,0,0]=3 801 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000210414_100000728653 [0,1,0,0,0,1|1,0,0]=3 802 B10R1.27 CCC(=O)Cc1ccn[nH]1 1458a_100000752941_100000210202 [0,1,0,0,0,1|1,0,0]=3 803 B10R1.27 CCC(=O)Cc1ccoc1 1458a_100000684892_100000210202 [0,1,0,0,0,1|2,0,0]=4 804 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,1,0,0,0,1|1,0,1]=4 805 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000184062_100000210202 [0,1,0,0,0,1|2,0,0]=4 806 B10R1.27 CCC(=O)Cc1ccsc1 1458a_100000210414_100011233845 [0,1,0,0,0,1|2,0,0]=4 807 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,1,0,0,0,1|2,0,0]=4 808 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,1,0,0,0,1|1,0,1]=4 809 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,1,0,0,0,1|1,0,1]=4 810 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,1,0,0,0,1|1,0,1]=4 811 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,1,0,0,0,1|1,0,1]=4 812 B10R1.27 CCC(=O)Cn1cccc1 1458a_100011196272_100000210202 [0,1,0,0,0,1|2,0,0]=4 813 B10R1.27 CCC(=O)Cn1cccn1 1458a_100000233772_100000210202 [0,1,0,0,0,1|1,0,1]=4 814 B10R1.27 CNC(=O)Cc1c[nH]cn1 240690a_100102657272_100015291406 [0,1,0,0,0,1|1,0,1]=4 815 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,1,0,0,0,1|0,0,0]=2 816 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,1,0,0,0,1|0,0,0]=2 817 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,1,0,0,0,1|0,0,0]=2 818 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,0,1|1,0,0]=3 819 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,0,1|1,0,0]=3 820 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,1,0,0,0,1|1,0,0]=3 821 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,1,0,0,0,1|1,0,0]=3 822 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,1,0,0,0,1|1,0,0]=3 823 B10R1.27 CNC(=O)Cc1ccn[nH]1 11a_106832991635_100000752941 [0,1,0,0,0,1|1,0,0]=3 824 B10R1.27 CNC(=O)Cc1ccn[nH]1 1626a_100102657272_100000752941 [0,1,0,0,0,1|1,0,0]=3 825 B10R1.27 CNC(=O)Cc1ccn[nH]1 240690a_100102657272_100000752941 [0,1,0,0,0,1|1,0,0]=3 826 B10R1.27 CNC(=O)Cc1ccn[nH]1 527a_100102657272_100000752941 [0,1,0,0,0,1|1,0,0]=3 827 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [0,1,0,0,0,1|2,0,0]=4 828 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [0,1,0,0,0,1|2,0,0]=4 829 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [0,1,0,0,0,1|2,0,0]=4 830 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [0,1,0,0,0,1|2,0,0]=4 831 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,1,0,0,0,1|2,0,0]=4 832 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,1,0,0,0,1|2,0,0]=4 833 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,1,0,0,0,1|2,0,0]=4 834 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,1,0,0,0,1|2,0,0]=4 835 B10R1.27 CNC(=O)Cc1cscn1 11a_106832991635_100011438297 [0,1,0,0,0,1|1,0,1]=4 836 B10R1.27 CNC(=O)Cc1cscn1 1626a_100102657272_100011438297 [0,1,0,0,0,1|1,0,1]=4 837 B10R1.27 CNC(=O)Cc1cscn1 240690a_100102657272_100011438297 [0,1,0,0,0,1|1,0,1]=4 838 B10R1.27 CNC(=O)Cc1cscn1 527a_100102657272_100011438297 [0,1,0,0,0,1|1,0,1]=4 839 B10R1.27 CNC(=O)Cn1cccc1 11a_106832991635_100011196272 [0,1,0,0,0,1|2,0,0]=4 840 B10R1.27 CNC(=O)Cn1cccc1 1626a_100102657272_100011196272 [0,1,0,0,0,1|2,0,0]=4 841 B10R1.27 CNC(=O)Cn1cccc1 527a_100102657272_100011196272 [0,1,0,0,0,1|2,0,0]=4 842 B10R1.27 CNC(=O)Cn1cccn1 11a_106832991635_100000233772 [0,1,0,0,0,1|1,0,1]=4 843 B10R1.27 CNC(=O)Cn1cccn1 1626a_100102657272_100000233772 [0,1,0,0,0,1|1,0,1]=4 844 B10R1.27 CNC(=O)Cn1cccn1 240690a_100102657272_100000233772 [0,1,0,0,0,1|1,0,1]=4 845 B10R1.27 CNC(=O)Cn1cccn1 527a_100102657272_100000233772 [0,1,0,0,0,1|1,0,1]=4 846 B10R1.27 O=C(CF)Cc1c[nH]cn1 1458a_100015291406_100015361967 [0,1,0,0,0,1|1,0,1]=4 847 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,1,0,0,0,1|0,0,0]=2 848 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,1,0,0,0,1|1,0,0]=3 849 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,1,0,0,0,1|1,0,0]=3 850 B10R1.27 O=C(CF)Cc1ccn[nH]1 1458a_100000752941_100015361967 [0,1,0,0,0,1|1,0,0]=3 851 B10R1.27 O=C(CF)Cc1ccoc1 1458a_100000684892_100015361967 [0,1,0,0,0,1|2,0,0]=4 852 B10R1.27 O=C(CF)Cc1ccsc1 1458a_100000184062_100015361967 [0,1,0,0,0,1|2,0,0]=4 853 B10R1.27 O=C(CF)Cc1cscn1 1458a_100011438297_100015361967 [0,1,0,0,0,1|1,0,1]=4 854 B10R1.27 O=C(CF)Cn1cccc1 1458a_100011196272_100015361967 [0,1,0,0,0,1|2,0,0]=4 855 B10R1.27 O=C(CF)Cn1cccn1 1458a_100000233772_100015361967 [0,1,0,0,0,1|1,0,1]=4 856 B10R1.27 O=C(CO)Cc1c[nH]cn1 1458a_100000210174_100000707719 [0,1,0,0,0,1|1,0,1]=4 857 B10R1.27 O=C(CO)Cc1ccn[nH]1 1458a_100000210174_100000728653 [0,1,0,0,0,1|1,0,0]=3 858 B10R1.27 O=C(CO)Cc1ccon1 1458a_100000210174_100000234950 [0,1,0,0,0,1|1,0,1]=4 859 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,1,0,0,0,1|2,0,0]=4 860 B10R1.27 O=C(CO)Cc1cncs1 1458a_100000210174_100015185245 [0,1,0,0,0,1|2,0,0]=4 861 B10R1.27 O=C(CO)Cc1cscn1 1458a_100000210174_100000205941 [0,1,0,0,0,1|1,0,1]=4 862 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,1,0,0,0,1|1,0,1]=4 863 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,1,0,0,0,1|1,0,1]=4 864 B10R1.54 CC(=Cc1cc(cs1)C)C 271570a_100102525489_100009876951 [0,1,0,0,0,1|2,0,0]=4 865 B10R1.54 CC(=Cc1cc(n[nH]1)Br)C 271570a_100102525489_100160470719 [0,1,0,0,0,1|2,0,0]=4 866 B10R1.54 CC(=Cc1ccc(s1)Br)C 271570a_100102525489_100010197418 [0,1,0,0,0,1|2,0,0]=4 867 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [0,1,0,0,0,1|2,0,0]=4 868 B10R1.54 CC(=Cc1nc(c[nH]1)C)C 271570a_100102525489_100161115468 [0,1,0,0,0,1|2,0,0]=4 869 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,1,0,0,0,1|1,0,0]=3 870 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,1,0,0,0,1|1,0,0]=3 871 B10R1.54 CC(=O)Cc1cc(no1)Br 1458a_100000070787_100000709089 [0,1,0,0,0,1|2,0,0]=4 872 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000037866_200000210301 [0,1,0,0,0,1|2,0,0]=4 873 B10R1.54 CC(=O)Cc1cc(no1)C 1458a_100000070787_100000707947 [0,1,0,0,0,1|2,0,0]=4 874 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [0,1,0,0,0,1|1,0,1]=4 875 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,1,0,0,0,1|1,0,0]=3 876 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,1,0,0,0,1|1,0,0]=3 877 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,1,0,0,0,1|1,0,0]=3 878 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,1,0,0,0,1|1,0,0]=3 879 B10R1.54 CC(=O)Cc1ccn(n1)C 1458a_100000070787_100000726502 [0,1,0,0,0,1|1,0,1]=4 880 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,1,0,0,0,1|1,0,1]=4 881 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,1,0,0,0,1|1,0,1]=4 882 B10R1.54 CC(=O)Cc1cnc(s1)Br 1458a_100000070787_100000717027 [0,1,0,0,0,1|2,0,0]=4 883 B10R1.54 CC(=O)Cc1cnc(s1)C 1458a_100000070787_100020635045 [0,1,0,0,0,1|2,0,0]=4 884 B10R1.54 CC(=O)Cc1cnc(s1)Cl 1458a_100000070787_100000058068 [0,1,0,0,0,1|2,0,0]=4 885 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,1,0,0,0,1|1,0,1]=4 886 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,1,0,0,0,1|1,0,1]=4 887 B10R1.54 CC(=O)Cc1csc(n1)Cl 1458a_100000070787_100000024076 [0,1,0,0,0,1|1,0,1]=4 888 B10R1.54 CC(=O)Cc1n[nH]c(=O)[nH]1 1458a_100000070787_100000754189 [0,1,0,0,0,1|2,0,0]=4 889 B10R1.54 CC(=O)Cn1cc(cn1)Br 1458a_100000238729_200000210301 [0,1,0,0,0,1|1,0,1]=4 890 B10R1.54 CC(=O)Cn1cc(cn1)C 1458a_100000743463_200000210301 [0,1,0,0,0,1|1,0,1]=4 891 B10R1.54 CC(=O)Cn1cc(cn1)Cl 1458a_100000759256_200000210301 [0,1,0,0,0,1|1,0,1]=4 892 B10R1.54 CC(=O)Cn1cc(cn1)I 1458a_100012072407_200000210301 [0,1,0,0,0,1|1,0,1]=4 893 B10R1.54 CC(=O)Cn1cc(cn1)O 271570a_203496583355_100000763327 [0,1,0,0,0,1|1,0,1]=4 894 B10R1.54 CC(=O)Cn1ccc(n1)C 1458a_100000238720_200000210301 [0,1,0,0,0,1|1,0,1]=4 895 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,1,0,0,0,1|1,0,0]=3 896 B10R1.54 CC(=O)Nc1ncc(s1)O 271570a_203496583355_100000050200 [0,1,0,0,0,1|1,0,1]=4 897 B10R1.54 CN(C)Cc1cc(c[nH]1)Br 270004a_100102631434_100000720742 [0,1,0,0,0,1|2,0,0]=4 898 B10R1.54 Cc1cc(on1)CC(=O)[13CH3] 1458a_100000037866_200025704644 [0,1,0,0,0,1|2,0,0]=4 899 B10R1.54 Cc1ccn(n1)CC(=O)[13CH3] 1458a_100000238720_200025704644 [0,1,0,0,0,1|1,0,1]=4 900 B10R1.54 Cc1cnn(c1)CC(=O)[13CH3] 1458a_100000743463_200025704644 [0,1,0,0,0,1|1,0,1]=4 901 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,1,0,0,0,1|1,0,1]=4 902 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,1,0,0,0,1|1,0,1]=4 903 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,1,0,0,0,1|1,0,0]=3 904 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,1,0,0,0,1|1,0,0]=3 905 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,1,0,0,0,1|1,0,0]=3 906 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Br 1458a_100000238729_200025704644 [0,1,0,0,0,1|1,0,1]=4 907 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Cl 1458a_100000759256_200025704644 [0,1,0,0,0,1|1,0,1]=4 908 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)I 1458a_100012072407_200025704644 [0,1,0,0,0,1|1,0,1]=4 909 B10R1.64 CC(=Cc1[nH]cnc1Cl)C 271570a_100102525489_100010200774 [0,1,0,0,0,1|2,0,0]=4 910 B10R1.64 CC(=Cc1ccnn1C)C 271570a_100102525489_100000688441 [0,1,0,0,0,1|2,0,0]=4 911 B10R1.64 CC(=Cc1cncn1C)C 271570a_100102525489_100009814087 [0,1,0,0,0,1|2,0,0]=4 912 B10R1.64 CC(=Cc1nccn1C)C 271570a_100102525489_100000707724 [0,1,0,0,0,1|2,0,0]=4 913 B10R1.64 CC(=Cc1sccc1Br)C 271570a_100102525489_100012361411 [0,1,0,0,0,1|2,0,0]=4 914 B10R1.64 CC(=Cc1sccc1C)C 271570a_100102525489_100000742657 [0,1,0,0,0,1|2,0,0]=4 915 B10R1.64 CC(=O)Cc1ccnn1C 1458a_100000070787_100000691648 [0,1,0,0,0,1|1,0,0]=3 916 B10R1.64 CC(=O)Cc1ccsc1Br 1458a_100000070787_100009814289 [0,1,0,0,0,1|2,0,0]=4 917 B10R1.64 CC(=O)Cc1ccsc1Cl 1458a_100000070787_100010167017 [0,1,0,0,0,1|2,0,0]=4 918 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,1,0,0,0,1|1,0,1]=4 919 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,1,0,0,0,1|1,0,1]=4 920 B10R1.64 CC(=O)Cn1nccc1C 1458a_100000759144_200000210301 [0,1,0,0,0,1|1,0,1]=4 921 B10R1.64 CN(C)Cc1cccn1C 2230a_100000188278_200000210301 [0,1,0,0,0,1|2,0,0]=4 922 B10R1.64 CN(C)Cc1cccn1C 269982a_100000188278_200000210301 [0,1,0,0,0,1|2,0,0]=4 923 B10R1.64 CN(C)Cc1cccn1C 270004a_100102631434_100000211633 [0,1,0,0,0,1|2,0,0]=4 924 B10R1.64 CN([13CH3])Cc1cccn1C 2230a_100000188278_200025704644 [0,1,0,0,0,1|2,0,0]=4 925 B10R1.64 CN([13CH3])Cc1cccn1C 269982a_100000188278_200025704644 [0,1,0,0,0,1|2,0,0]=4 926 B10R1.64 Cc1ccnn1CC(=O)[13CH3] 1458a_100000759144_200025704644 [0,1,0,0,0,1|1,0,1]=4 927 B10R1.6 CNS(=O)(=O)c1ccco1 270084a_100102657272_200000702926 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.6 CNS(=O)(=O)c1ccco1 274078a_100102657272_200000702926 [0,2,0,0,0,0|2,0,0]=4 929 B10R1.6 CNS(=O)(=O)c1cccs1 270084a_100102657272_100000205146 [0,2,0,0,0,0|2,0,0]=4 930 B10R1.6 CNS(=O)(=O)c1cccs1 274078a_100102657272_100000205146 [0,2,0,0,0,0|2,0,0]=4 931 B10R1.6 CNS(=O)(=O)c1cccs1 40a_100102657272_200000102146 [0,2,0,0,0,0|2,0,0]=4 932 B10R1.9 CCC(NC)c1ccc[nH]1 269862a_106832991636_200000242565 [0,2,0,0,0,0|1,0,1]=4 933 B10R1.11 CCNC(C)c1ccc[nH]1 269862a_100015525214_100000183661 [0,2,0,0,0,0|1,0,1]=4 934 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,2,0,0,0,0|0,0,0]=2 935 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,2,0,0,0,0|1,0,0]=3 936 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,2,0,0,0,0|1,0,0]=3 937 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,2,0,0,0,0|1,0,0]=3 938 B10R1.11 CNCC(=O)c1ccsc1 2230a_106832991635_100011219462 [0,2,0,0,0,0|2,0,0]=4 939 B10R1.11 CNCC(=O)c1ccsc1 34a_100102657272_100011219462 [0,2,0,0,0,0|2,0,0]=4 940 B10R1.11 CNCC(=O)c1ccsc1 7a_106832991635_100011219462 [0,2,0,0,0,0|2,0,0]=4 941 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,2,0,0,0,0|1,0,1]=4 942 B10R1.11 CNCC(=O)n1cccn1 2230a_106832991635_100000077511 [0,2,0,0,0,0|1,0,1]=4 943 B10R1.11 CNCC(=O)n1cccn1 7a_106832991635_100000077511 [0,2,0,0,0,0|1,0,1]=4 944 B10R1.11 COCC(=O)c1ccsc1 34a_100138415774_100011219462 [0,2,0,0,0,0|2,0,0]=4 945 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,2,0,0,0,0|0,0,0]=2 946 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,2,0,0,0,0|0,0,0]=2 947 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,2,0,0,0,0|1,0,0]=3 948 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,2,0,0,0,0|1,0,0]=3 949 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,2,0,0,0,0|1,0,0]=3 950 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,2,0,0,0,0|1,0,0]=3 951 B10R1.11 CSCC(=O)c1ccsc1 62a_100011219462_200000210301 [0,2,0,0,0,0|2,0,0]=4 952 B10R1.11 CSCC(=O)c1ccsc1 62a_200000210301_100011219462 [0,2,0,0,0,0|2,0,0]=4 953 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,2,0,0,0,0|1,0,1]=4 954 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,2,0,0,0,0|1,0,1]=4 955 B10R1.11 CSCC(=O)n1cccn1 62a_100000077511_200000210301 [0,2,0,0,0,0|1,0,1]=4 956 B10R1.11 CSCC(=O)n1cccn1 62a_200000210301_100000077511 [0,2,0,0,0,0|1,0,1]=4 957 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,2,0,0,0,0|0,0,0]=2 958 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,2,0,0,0,0|0,0,0]=2 959 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,2,0,0,0,0|1,0,0]=3 960 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,2,0,0,0,0|1,0,0]=3 961 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,2,0,0,0,0|1,0,0]=3 962 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,2,0,0,0,0|1,0,0]=3 963 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_100011219462_200025704644 [0,2,0,0,0,0|2,0,0]=4 964 B10R1.11 [13CH3]SCC(=O)c1ccsc1 62a_200025704644_100011219462 [0,2,0,0,0,0|2,0,0]=4 965 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,2,0,0,0,0|1,0,1]=4 966 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,2,0,0,0,0|1,0,1]=4 967 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_100000077511_200025704644 [0,2,0,0,0,0|1,0,1]=4 968 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_200025704644_100000077511 [0,2,0,0,0,0|1,0,1]=4 969 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,2,0,0,0,0|1,0,0]=3 970 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,2,0,0,0,0|1,0,0]=3 971 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,2,0,0,0,0|1,0,0]=3 972 B10R1.14 CNC(=O)c1csc(n1)O 271570a_203496583355_100010260535 [0,2,0,0,0,0|1,0,1]=4 973 B10R1.14 CNC(C)c1ccc([nH]1)Br 269862a_106832991636_200010494458 [0,2,0,0,0,0|1,0,1]=4 974 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,2,0,0,0,0|2,0,0]=4 975 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,2,0,0,0,0|1,0,1]=4 976 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,2,0,0,0,0|1,0,0]=3 977 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,2,0,0,0,0|1,0,0]=3 978 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,2,0,0,0,0|0,0,0]=2 979 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,2,0,0,0,0|1,0,0]=3 980 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,2,0,0,0,0|1,0,0]=3 981 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,2,0,0,0,0|1,0,0]=3 982 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,2,0,0,0,0|2,0,0]=4 983 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,2,0,0,0,0|1,0,1]=4 984 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,2,0,0,0,0|2,0,0]=4 985 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,2,0,0,0,0|1,0,1]=4 986 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,2,0,0,0,0|1,0,1]=4 987 B10R1.14 COC(=O)c1nc(n[nH]1)O 271570a_203496583355_100010173354 [0,2,0,0,0,0|2,0,0]=4 988 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,2,0,0,0,0|1,0,1]=4 989 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [0,2,0,0,0,0|2,0,0]=4 990 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.149 CNC(C)c1cccn1C 269862a_106832991636_100000709046 [0,2,0,0,0,0|1,0,1]=4 992 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,2,0,0,0,0|0,0,0]=2 993 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [0,2,0,0,0,0|1,0,0]=3 994 B10R1.149 COC(=O)c1[nH]ncc1O 271570a_203496583355_100011934057 [0,2,0,0,0,0|1,0,0]=3 995 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [0,2,0,0,0,0|2,0,0]=4 996 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [0,2,0,0,0,0|2,0,0]=4 997 B10R1.149 COC(=O)c1cscc1O 271570a_203496583355_100012351140 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,2,0,0,0,0|1,0,1]=4 999 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,2,0,0,0,0|1,0,0]=3 1000 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,2,0,0,0,0|1,0,0]=3 1001 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,2,0,0,0,0|2,0,0]=4 1002 B10R1.31 C=C(C)c1cc(c[nH]1)C=O 271570a_100000694244_100009882863 [0,2,0,0,0,0|1,0,0]=3 1003 B10R1.31 C=C(C)c1cc(cs1)C=O 271570a_100000694244_100000737087 [0,2,0,0,0,0|2,0,0]=4 1004 B10R1.31 C=C(C)c1ccc(o1)C#N 271570a_100000694244_100000764468 [0,2,0,0,0,0|2,0,0]=4 1005 B10R1.31 C=C(C)c1ccc(o1)C=O 271570a_100000694244_100000185145 [0,2,0,0,0,0|2,0,0]=4 1006 B10R1.31 C=C(C)c1ccc(o1)CN 271570a_100000694244_100000708654 [0,2,0,0,0,0|2,0,0]=4 1007 B10R1.31 C=C(C)c1ccc(o1)CO 271570a_100000694244_100000246276 [0,2,0,0,0,0|2,0,0]=4 1008 B10R1.31 C=C(C)c1ccc(s1)C#N 271570a_100000694244_100000737243 [0,2,0,0,0,0|2,0,0]=4 1009 B10R1.31 C=C(C)c1ccc(s1)C=O 271570a_100000694244_100000179771 [0,2,0,0,0,0|2,0,0]=4 1010 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [0,2,0,0,0,0|2,0,0]=4 1011 B10R1.31 C=C(C)c1ccc(s1)CN 271570a_100000694244_100000737305 [0,2,0,0,0,0|2,0,0]=4 1012 B10R1.31 C=C(C)c1ccc(s1)CO 271570a_100000694244_100000246291 [0,2,0,0,0,0|2,0,0]=4 1013 B10R1.31 C=Cc1c[nH]c(c1)C(=O)N 271570a_100011290941_100000229580 [0,2,0,0,0,0|1,0,0]=3 1014 B10R1.31 C=Cc1cc(cs1)C(=O)C 271570a_100011290941_200012344231 [0,2,0,0,0,0|2,0,0]=4 1015 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [0,2,0,0,0,0|0,0,0]=2 1016 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [0,2,0,0,0,0|1,0,0]=3 1017 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [0,2,0,0,0,0|1,0,0]=3 1018 B10R1.31 C=Cc1ccc(s1)C(=O)N 271570a_100011290941_100000162267 [0,2,0,0,0,0|2,0,0]=4 1019 B10R1.31 C=Cc1cnc(s1)C(=O)C 271570a_100011290941_100000693680 [0,2,0,0,0,0|1,0,1]=4 1020 B10R1.31 C=Cc1cnn(c1)C(=O)C 271570a_100011290941_100010205889 [0,2,0,0,0,0|1,0,1]=4 1021 B10R1.31 C=Cc1coc(c1)C(=O)N 271570a_100011290941_200009817131 [0,2,0,0,0,0|2,0,0]=4 1022 B10R1.31 C=Cc1csc(c1)C(=O)C 271570a_100011290941_100000718618 [0,2,0,0,0,0|1,0,0]=3 1023 B10R1.31 C=Cc1csc(c1)C(=O)N 271570a_100011290941_100009812991 [0,2,0,0,0,0|2,0,0]=4 1024 B10R1.31 C=Cc1csc(n1)C(=O)C 271570a_100011290941_100010231720 [0,2,0,0,0,0|1,0,1]=4 1025 B10R1.31 C=Cc1ncc(s1)C(=O)C 271570a_100011290941_200010173910 [0,2,0,0,0,0|2,0,0]=4 1026 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,2,0,0,0,0|1,0,0]=3 1027 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,2,0,0,0,0|1,0,0]=3 1028 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,2,0,0,0,0|0,0,0]=2 1029 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,2,0,0,0,0|1,0,0]=3 1030 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,2,0,0,0,0|1,0,0]=3 1031 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,2,0,0,0,0|1,0,0]=3 1032 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200010173910_200025704644 [0,2,0,0,0,0|2,0,0]=4 1033 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_200010173910 [0,2,0,0,0,0|2,0,0]=4 1034 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [0,2,0,0,0,0|2,0,0]=4 1035 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [0,2,0,0,0,0|2,0,0]=4 1036 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_100010231720_200025704644 [0,2,0,0,0,0|1,0,1]=4 1037 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_200025704644_100010231720 [0,2,0,0,0,0|1,0,1]=4 1038 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_100000693680_200025704644 [0,2,0,0,0,0|1,0,1]=4 1039 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100000693680 [0,2,0,0,0,0|1,0,1]=4 1040 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_100010205889_200025704644 [0,2,0,0,0,0|1,0,1]=4 1041 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_200025704644_100010205889 [0,2,0,0,0,0|1,0,1]=4 1042 B10R1.31 CNc1ncc(s1)C(=O)C 27a_100102657272_200010173910 [0,2,0,0,0,0|2,0,0]=4 1043 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_100000229580_200000210301 [0,2,0,0,0,0|1,0,0]=3 1044 B10R1.31 CSc1c[nH]c(c1)C(=O)N 62a_200000210301_100000229580 [0,2,0,0,0,0|1,0,0]=3 1045 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [0,2,0,0,0,0|2,0,0]=4 1046 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [0,2,0,0,0,0|2,0,0]=4 1047 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,2,0,0,0,0|0,0,0]=2 1048 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,2,0,0,0,0|1,0,0]=3 1049 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,2,0,0,0,0|1,0,0]=3 1050 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,2,0,0,0,0|1,0,0]=3 1051 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,2,0,0,0,0|2,0,0]=4 1052 B10R1.31 CSc1cnc(s1)C(=O)C 62a_100000693680_200000210301 [0,2,0,0,0,0|1,0,1]=4 1053 B10R1.31 CSc1cnc(s1)C(=O)C 62a_200000210301_100000693680 [0,2,0,0,0,0|1,0,1]=4 1054 B10R1.31 CSc1cnn(c1)C(=O)C 62a_100010205889_200000210301 [0,2,0,0,0,0|1,0,1]=4 1055 B10R1.31 CSc1cnn(c1)C(=O)C 62a_200000210301_100010205889 [0,2,0,0,0,0|1,0,1]=4 1056 B10R1.31 CSc1coc(c1)C(=O)N 62a_200000210301_200009817131 [0,2,0,0,0,0|2,0,0]=4 1057 B10R1.31 CSc1coc(c1)C(=O)N 62a_200009817131_200000210301 [0,2,0,0,0,0|2,0,0]=4 1058 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,2,0,0,0,0|1,0,0]=3 1059 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,2,0,0,0,0|1,0,0]=3 1060 B10R1.31 CSc1csc(c1)C(=O)N 62a_100009812991_200000210301 [0,2,0,0,0,0|2,0,0]=4 1061 B10R1.31 CSc1csc(c1)C(=O)N 62a_200000210301_100009812991 [0,2,0,0,0,0|2,0,0]=4 1062 B10R1.31 CSc1csc(n1)C(=O)C 62a_100010231720_200000210301 [0,2,0,0,0,0|1,0,1]=4 1063 B10R1.31 CSc1csc(n1)C(=O)C 62a_200000210301_100010231720 [0,2,0,0,0,0|1,0,1]=4 1064 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200000210301_200010173910 [0,2,0,0,0,0|2,0,0]=4 1065 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200010173910_200000210301 [0,2,0,0,0,0|2,0,0]=4 1066 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_100000229580_200025704644 [0,2,0,0,0,0|1,0,0]=3 1067 B10R1.31 [13CH3]Sc1c[nH]c(c1)C(=O)N 62a_200025704644_100000229580 [0,2,0,0,0,0|1,0,0]=3 1068 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,2,0,0,0,0|2,0,0]=4 1069 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200009817131_200025704644 [0,2,0,0,0,0|2,0,0]=4 1070 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200025704644_200009817131 [0,2,0,0,0,0|2,0,0]=4 1071 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_100009812991_200025704644 [0,2,0,0,0,0|2,0,0]=4 1072 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_200025704644_100009812991 [0,2,0,0,0,0|2,0,0]=4 1073 B10R1.58 C=C(C)c1cc(c(s1)C)C 271570a_100000694244_100009850898 [0,2,0,0,0,0|2,0,0]=4 1074 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,2,0,0,0,0|1,0,0]=3 1075 B10R1.59 C=C(C)c1cc(nn1C)C 271570a_100000694244_100009818511 [0,2,0,0,0,0|2,0,0]=4 1076 B10R1.59 C=C(C)c1cc(nn1C)N 271570a_100000694244_100116209741 [0,2,0,0,0,0|2,0,0]=4 1077 B10R1.59 C=C(C)c1nc(cn1C)C 271570a_100000694244_100009816808 [0,2,0,0,0,0|2,0,0]=4 1078 B10R1.59 C=C(C)c1sc(cc1C)C 271570a_100000694244_100000689295 [0,2,0,0,0,0|2,0,0]=4 1079 B10R1.59 CC(=O)c1sc(nc1C)O 271570a_203496583355_100010106820 [0,2,0,0,0,0|2,0,0]=4 1080 B10R1.194 C=C(C)c1cnc(n1C)C 271570a_100000694244_100000762843 [0,2,0,0,0,0|2,0,0]=4 1081 B10R1.194 C=C(C)c1ncc(n1C)C 271570a_100000694244_100009816807 [0,2,0,0,0,0|2,0,0]=4 1082 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,2,0,0,0,0|2,0,0]=4 1083 B10R1.194 NC(=O)c1scc(c1N)O 271570a_203496583355_100010220608 [0,2,0,0,0,0|2,0,0]=4 1084 B10R1.39 C=C(C)c1[nH]ncc1C#N 271570a_100000694244_100010888374 [0,2,0,0,0,0|2,0,0]=4 1085 B10R1.39 C=C(C)c1ccnn1CC 271570a_100000694244_100000728327 [0,2,0,0,0,0|2,0,0]=4 1086 B10R1.39 C=C(C)c1nccn1CC 271570a_100000694244_100011617267 [0,2,0,0,0,0|2,0,0]=4 1087 B10R1.39 C=C(C)c1sccc1C#N 271570a_100000694244_100009817073 [0,2,0,0,0,0|2,0,0]=4 1088 B10R1.39 C=C(C)c1sccc1C=O 271570a_100000694244_100009816921 [0,2,0,0,0,0|2,0,0]=4 1089 B10R1.39 C=C(C)c1sccc1CC 271570a_100000694244_200009875468 [0,2,0,0,0,0|2,0,0]=4 1090 B10R1.39 C=C(C)c1sccc1CN 271570a_100000694244_100000727803 [0,2,0,0,0,0|2,0,0]=4 1091 B10R1.39 C=C(C)c1sccc1CO 271570a_100000694244_100009816922 [0,2,0,0,0,0|2,0,0]=4 1092 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,2,0,0,0,0|1,0,0]=3 1093 B10R1.39 C=Cc1cn[nH]c1C(=O)N 271570a_100011290941_200009820792 [0,2,0,0,0,0|2,0,0]=4 1094 B10R1.39 C=Cc1ncsc1C(=O)C 271570a_100011290941_200010339033 [0,2,0,0,0,0|2,0,0]=4 1095 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,2,0,0,0,0|1,0,0]=3 1096 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200010339033_200025704644 [0,2,0,0,0,0|2,0,0]=4 1097 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200025704644_200010339033 [0,2,0,0,0,0|2,0,0]=4 1098 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,2,0,0,0,0|1,0,0]=3 1099 B10R1.39 CSc1cn[nH]c1C(=O)N 62a_200000210301_200009820792 [0,2,0,0,0,0|2,0,0]=4 1100 B10R1.39 CSc1cn[nH]c1C(=O)N 62a_200009820792_200000210301 [0,2,0,0,0,0|2,0,0]=4 1101 B10R1.39 CSc1ncsc1C(=O)C 62a_200000210301_200010339033 [0,2,0,0,0,0|2,0,0]=4 1102 B10R1.39 CSc1ncsc1C(=O)C 62a_200010339033_200000210301 [0,2,0,0,0,0|2,0,0]=4 1103 B10R1.39 [13CH3]Sc1cn[nH]c1C(=O)N 62a_200009820792_200025704644 [0,2,0,0,0,0|2,0,0]=4 1104 B10R1.39 [13CH3]Sc1cn[nH]c1C(=O)N 62a_200025704644_200009820792 [0,2,0,0,0,0|2,0,0]=4 1105 B10R1.192 CC(=O)c1c(cnn1C)O 271570a_203496583355_100012349272 [0,2,0,0,0,0|1,0,0]=3 1106 B10R1.192 Cn1ncc(c1C(=O)N)O 271570a_203496583355_100010776205 [0,2,0,0,0,0|2,0,0]=4 1107 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [0,0,1,1,0,0|2,0,0]=4 1108 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [0,0,1,1,0,0|2,0,0]=4 1109 B8R1.4 Nc1cccc(c1)O 271570a_203496583355_100000210019 [0,0,1,1,0,0|0,0,2]=4 1110 B8R1.4 Nc1cccc(n1)O 271570a_203496583355_100000740741 [0,0,1,1,0,0|1,0,1]=4 1111 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [0,0,1,1,0,0|2,0,0]=4 1112 B8R1.5 Cc1ccccc1O 271570a_203496583355_100000210755 [0,0,1,1,0,0|2,0,0]=4 1113 B8R1.5 Cc1ncccc1O 271570a_203496583355_100000751574 [0,0,1,1,0,0|2,0,0]=4 1114 B8R1.5 Nc1ccccc1O 271570a_203496583355_100000210017 [0,0,1,1,0,0|0,0,2]=4 1115 B8R1.5 Nc1cccnc1O 271570a_203496583355_100000688686 [0,0,1,1,0,0|1,0,1]=4 1116 B8R1.5 O=c1[nH]cccc1O 271570a_203496583355_100000050042 [0,0,1,1,0,0|2,0,0]=4 1117 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [1,0,0,0,0,1|1,0,1]=4 1118 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [1,0,0,0,0,1|0,0,2]=4 1119 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [1,0,0,0,0,1|0,0,2]=4 1120 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [1,0,0,0,0,1|0,0,2]=4 1121 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [1,0,0,0,0,1|1,0,1]=4 1122 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [1,0,0,0,0,1|0,0,2]=4 1123 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [1,0,0,0,0,1|0,0,2]=4 1124 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [1,0,0,0,0,1|0,0,2]=4 1125 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [1,0,0,0,0,1|2,0,0]=4 1126 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [1,0,0,0,0,1|1,0,1]=4 1127 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [1,0,0,0,0,1|1,0,1]=4 1128 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [1,0,0,0,0,1|1,0,1]=4 1129 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [1,0,0,0,0,1|1,0,1]=4 1130 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [1,0,0,0,0,1|2,0,0]=4 1131 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [1,0,0,0,0,1|2,0,0]=4 1132 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [1,0,0,0,0,1|1,0,1]=4 1133 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [1,0,0,0,0,1|1,0,1]=4 1134 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [1,0,0,0,0,1|2,0,0]=4 1135 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [1,0,0,0,0,1|2,0,0]=4 1136 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [1,0,0,0,0,1|2,0,0]=4 1137 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [1,0,0,0,0,1|1,0,1]=4 1138 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [1,0,0,0,0,1|1,0,1]=4 1139 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [1,0,0,0,0,1|1,0,1]=4 1140 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [1,0,0,0,0,1|1,0,1]=4 1141 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [1,0,0,0,0,1|1,0,1]=4 1142 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [1,0,0,0,0,1|1,0,1]=4 1143 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [1,0,0,0,0,1|2,0,0]=4 1144 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [1,0,0,0,0,1|2,0,0]=4 1145 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [1,0,0,0,0,1|1,0,1]=4 1146 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [1,0,0,0,0,1|1,0,1]=4 1147 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [1,0,0,0,0,1|1,0,1]=4 1148 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [1,0,0,0,0,1|1,0,1]=4 1149 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [1,0,0,0,0,1|1,0,1]=4 1150 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [1,0,0,0,0,1|1,0,1]=4 1151 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [1,0,0,0,0,1|2,0,0]=4 1152 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [1,0,0,0,0,1|2,0,0]=4 1153 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [1,0,0,0,0,1|2,0,0]=4 1154 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [1,0,0,0,0,1|1,0,1]=4 1155 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [1,0,0,0,0,1|1,0,1]=4 1156 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [1,0,0,0,0,1|2,0,0]=4 1157 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [1,0,0,0,0,1|2,0,0]=4 1158 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [1,0,0,0,0,1|2,0,0]=4 1159 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [1,0,0,0,0,1|1,0,1]=4 1160 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [1,0,0,0,0,1|1,0,1]=4 1161 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [1,0,0,0,0,1|1,0,1]=4 1162 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [1,0,0,0,0,1|1,0,1]=4 1163 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [1,0,0,0,0,1|1,0,1]=4 1164 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [1,0,0,0,0,1|1,0,1]=4 1165 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [1,0,0,0,0,1|2,0,0]=4 1166 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [1,0,0,0,0,1|2,0,0]=4 1167 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [1,0,0,0,0,1|1,0,1]=4 1168 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [1,0,0,0,0,1|1,0,1]=4 1169 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [1,0,0,0,0,1|1,0,1]=4 1170 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [1,0,0,0,0,1|1,0,1]=4 1171 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [1,0,0,0,0,1|1,0,1]=4 1172 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [1,0,0,0,0,1|1,0,1]=4 1173 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,0,2|2,0,0]=4 1174 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,2|1,0,1]=4 1175 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,0,2|1,0,1]=4 1176 B10R1.18 CC(=Cc1cccnn1)C 271570a_100102525489_100016991348 [0,0,0,0,0,2|1,0,1]=4 1177 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [0,0,0,0,0,2|2,0,0]=4 1178 B10R1.18 CC(=Cc1ccncn1)C 271570a_100102525489_100000703185 [0,0,0,0,0,2|1,0,1]=4 1179 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [0,0,0,0,0,2|1,0,1]=4 1180 B10R1.18 CC(=Cc1ncccn1)C 271570a_100102525489_100000211032 [0,0,0,0,0,2|1,0,1]=4 1181 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,0,2|2,0,0]=4 1182 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,2|1,0,0]=3 1183 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,2|0,0,1]=3 1184 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,2|0,0,1]=3 1185 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,2|0,0,1]=3 1186 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,2|0,0,1]=3 1187 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,2|0,0,1]=3 1188 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,2|1,0,0]=3 1189 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,2|0,0,1]=3 1190 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,2|1,0,1]=4 1191 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,2|1,0,1]=4 1192 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,2|0,0,1]=3 1193 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,2|1,0,0]=3 1194 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,2|1,0,0]=3 1195 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,2|1,0,0]=3 1196 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,2|1,0,0]=3 1197 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,0,2|2,0,0]=4 1198 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,2|0,0,1]=3 1199 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,2|0,0,1]=3 1200 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,2|1,0,1]=4 1201 B10R1.66 C=C(C)CSc1ccco1 62a_100000748629_100009814098 [0,0,0,0,0,2|2,0,0]=4 1202 B10R1.66 C=C(C)CSc1ccco1 62a_100009814098_100000211660 [0,0,0,0,0,2|2,0,0]=4 1203 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,0,0,0,0,2|2,0,0]=4 1204 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,0,0,0,0,2|2,0,0]=4 1205 B10R1.66 C=C(C)CSc1ncc[nH]1 62a_100000748629_100025796157 [0,0,0,0,0,2|2,0,0]=4 1206 B10R1.66 C=C(C)CSc1ncc[nH]1 62a_100025796157_100000211660 [0,0,0,0,0,2|2,0,0]=4 1207 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,0,0,0,2|1,0,1]=4 1208 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,0,0,2|1,0,0]=3 1209 B10R1.66 CC(=O)C=Cc1ccoc1 1458a_100000238621_200000210301 [0,0,0,0,0,2|2,0,0]=4 1210 B10R1.66 CC(=O)C=Cc1ccsc1 1458a_100000698588_200000210301 [0,0,0,0,0,2|2,0,0]=4 1211 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,0,0,0,2|1,0,1]=4 1212 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,0,0,0,0,2|1,0,1]=4 1213 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,0,2|1,0,1]=4 1214 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,0,0,2|2,0,0]=4 1215 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,0,2|0,0,0]=2 1216 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,0,2|1,0,0]=3 1217 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,0,2|1,0,0]=3 1218 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,0,2|1,0,0]=3 1219 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,0,0,2|2,0,0]=4 1220 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,0,0,0,0,2|1,0,0]=3 1221 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,0,0,0,0,2|2,0,0]=4 1222 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,0,0,2|1,0,0]=3 1223 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,0,0,2|1,0,1]=4 1224 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,0,0,2|2,0,0]=4 1225 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,0,0,2|2,0,0]=4 1226 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,0,0,2|1,0,1]=4 1227 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,0,0,2|1,0,1]=4 1228 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,0,0,2|1,0,1]=4 1229 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,0,0,2|1,0,1]=4 1230 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,0,0,2|1,0,1]=4 1231 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,0,0,0,0,2|1,0,1]=4 1232 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,0,0,0,0,2|1,0,1]=4 1233 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,0,0,0,0,2|1,0,1]=4 1234 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,0,2|0,0,0]=2 1235 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,0,2|0,0,0]=2 1236 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,0,2|0,0,0]=2 1237 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,0,2|1,0,0]=3 1238 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,0,2|1,0,0]=3 1239 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,0,2|1,0,0]=3 1240 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,0,2|1,0,0]=3 1241 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,0,2|1,0,0]=3 1242 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,0,2|1,0,0]=3 1243 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,0,2|1,0,0]=3 1244 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,0,2|1,0,0]=3 1245 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [0,0,0,0,0,2|2,0,0]=4 1246 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [0,0,0,0,0,2|2,0,0]=4 1247 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [0,0,0,0,0,2|2,0,0]=4 1248 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [0,0,0,0,0,2|2,0,0]=4 1249 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,0,0,0,0,2|1,0,1]=4 1250 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,0,0,0,0,2|1,0,1]=4 1251 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,0,0,0,0,2|1,0,1]=4 1252 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,0,0,0,0,2|2,0,0]=4 1253 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,0,0,0,0,2|2,0,0]=4 1254 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,0,0,0,0,2|2,0,0]=4 1255 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,0,0,0,0,2|2,0,0]=4 1256 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,0,0,0,0,2|2,0,0]=4 1257 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,0,0,0,0,2|2,0,0]=4 1258 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,0,0,0,0,2|2,0,0]=4 1259 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,0,0,0,0,2|2,0,0]=4 1260 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,0,0,0,0,2|2,0,0]=4 1261 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,0,0,0,0,2|2,0,0]=4 1262 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,0,0,2|1,0,1]=4 1263 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,0,0,2|1,0,1]=4 1264 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,0,0,2|1,0,1]=4 1265 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,0,0,2|1,0,1]=4 1266 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,0,0,2|1,0,1]=4 1267 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,0,0,2|1,0,1]=4 1268 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,0,0,2|1,0,1]=4 1269 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,0,0,0,0,2|1,0,0]=3 1270 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,0,0,0,0,2|1,0,0]=3 1271 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,0,0,0,0,2|1,0,0]=3 1272 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,0,0,0,0,2|1,0,1]=4 1273 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,0,0,0,0,2|1,0,1]=4 1274 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,0,0,0,0,2|1,0,1]=4 1275 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,0,0,0,0,2|1,0,1]=4 1276 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,0,0,2|1,0,1]=4 1277 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,0,0,2|1,0,1]=4 1278 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,0,0,2|1,0,1]=4 1279 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,0,0,2|1,0,1]=4 1280 B10R1.66 CC(=O)NCc1nnc[nH]1 11a_200015183720_100015343762 [0,0,0,0,0,2|2,0,0]=4 1281 B10R1.66 CC(=O)NCc1nnc[nH]1 240690a_200015183720_100015343762 [0,0,0,0,0,2|2,0,0]=4 1282 B10R1.66 CC(=O)NCc1nnc[nH]1 527a_200015183720_100103153847 [0,0,0,0,0,2|2,0,0]=4 1283 B10R1.66 CC(=O)NN=C1C=CCC1 4a_100000189765_100000239507 [0,0,0,0,0,2|1,0,1]=4 1284 B10R1.66 CC(=O)NN=C1CC=CC1 4a_100000189765_100000766571 [0,0,0,0,0,2|1,0,1]=4 1285 B10R1.66 CC(=O)NNc1nccs1 22a_100011198208_100000070787 [0,0,0,0,0,2|1,0,1]=4 1286 B10R1.66 NC(=O)CSc1ccco1 62a_100000747473_100009814098 [0,0,0,0,0,2|2,0,0]=4 1287 B10R1.66 NC(=O)CSc1ccco1 62a_100009814098_100000747473 [0,0,0,0,0,2|2,0,0]=4 1288 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,0,0,0,0,2|2,0,0]=4 1289 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,0,0,0,0,2|2,0,0]=4 1290 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100000747473_100025796157 [0,0,0,0,0,2|2,0,0]=4 1291 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100025796157_100000747473 [0,0,0,0,0,2|2,0,0]=4 1292 B10R1.66 O=C([O-])CSc1ccco1 62a_100009814098_100020667443 [0,0,0,0,0,2|2,0,0]=4 1293 B10R1.66 O=C([O-])CSc1ccco1 62a_100020667443_100009814098 [0,0,0,0,0,2|2,0,0]=4 1294 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,0,0,0,0,2|2,0,0]=4 1295 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,0,0,0,0,2|2,0,0]=4 1296 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100020667443_100025796157 [0,0,0,0,0,2|2,0,0]=4 1297 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100025796157_100020667443 [0,0,0,0,0,2|2,0,0]=4 1298 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,0,0,0,2|1,0,1]=4 1299 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,0,0,2|1,0,0]=3 1300 B10R1.66 [13CH3]C(=O)C=Cc1ccoc1 1458a_100000238621_200025704644 [0,0,0,0,0,2|2,0,0]=4 1301 B10R1.66 [13CH3]C(=O)C=Cc1ccsc1 1458a_100000698588_200025704644 [0,0,0,0,0,2|2,0,0]=4 1302 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,0,0,0,2|1,0,1]=4 1303 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,0,0,0,0,2|1,0,1]=4 1304 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,0,0,2|2,0,0]=4 1305 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,0,2|0,0,0]=2 1306 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,0,2|1,0,0]=3 1307 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,0,2|1,0,0]=3 1308 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,0,0,2|2,0,0]=4 1309 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,0,0,0,0,2|1,0,0]=3 1310 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,0,0,0,0,2|2,0,0]=4 1311 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,0,0,2|1,0,0]=3 1312 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,0,0,2|1,0,1]=4 1313 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,0,0,2|2,0,0]=4 1314 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,0,0,2|1,0,1]=4