0 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,0,0|2,1,0]=3 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|4,0,0]=4 5 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.7 C=C(C)c1nc[nH]n1 271570a_100000694244_100000761765 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,0,0|1,1,0]=2 13 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,0,0,0,0,0|1,0,0]=1 14 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.7 C=C(C)c1nncs1 271570a_100000694244_100000739804 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,0,0,0|1,0,3]=4 21 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.7 CN(C)c1ncns1 27a_100102631434_100000693119 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.7 CN(C)c1nncs1 27a_100102631434_100000739804 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,0,0,0|1,0,3]=4 30 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,0,0|1,1,1]=4 33 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,0,0|1,0,1]=3 34 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.1 C=Cc1nc[nH]n1 271570a_100011290941_100000761765 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [1,0,0,0,0,0|1,0,1]=3 39 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,0,0,0|0,1,1]=3 40 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,0,0,0,0,0|0,0,1]=2 41 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [1,0,0,0,0,0|1,0,1]=3 42 B7R1.1 C=Cc1nncs1 271570a_100011290941_100000739804 [1,0,0,0,0,0|1,0,1]=3 43 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,0,0|2,1,0]=4 50 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,0,0|2,1,0]=4 51 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 CSc1nc[nH]n1 62a_100000761765_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 CSc1nc[nH]n1 62a_200000210301_100000761765 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,0,0,0,0,0|1,1,0]=3 66 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,0,0,0,0,0|1,1,0]=3 67 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,0,0,0,0,0|1,0,0]=2 69 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 CSc1nncs1 62a_100000739804_200000210301 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 CSc1nncs1 62a_200000210301_100000739804 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,0,0|2,1,0]=4 78 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,0,0|2,1,0]=4 79 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_100000761765_200025704644 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_200025704644_100000761765 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,0,0,0,0,0|1,1,0]=3 94 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,0,0,0,0,0|1,1,0]=3 95 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,0,0,0,0,0|1,0,0]=2 96 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,0,0,0,0,0|1,0,0]=2 97 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [1,0,0,0,0,0|2,0,0]=3 99 B7R1.1 [13CH3]Sc1nncs1 62a_100000739804_200025704644 [1,0,0,0,0,0|2,0,0]=3 100 B7R1.1 [13CH3]Sc1nncs1 62a_200025704644_100000739804 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.11 CC(N[13CH3])c1nccs1 2230a_100000725601_200025704644 [0,1,0,0,0,0|1,0,1]=3 103 B9R1.11 CC(O[13CH3])c1nccs1 7a_100000751044_200025704644 [0,1,0,0,0,0|0,0,2]=3 104 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.11 CCC(=O)N1CC=CC1 1626a_100015195280_100000210414 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.11 CCC(=O)N1CC=CC1 240690a_100015195280_100000210414 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.11 CNC(=O)C1CC=CC1 11a_106832991635_100000759439 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.11 CNC(=O)C1CC=CC1 1626a_100102657272_100000759439 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.11 CNC(=O)C1CC=CC1 240690a_100102657272_100000759439 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.11 CNC(=O)C1CC=CC1 527a_100102657272_100000759439 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.11 CNC(=O)N1CC=CC1 2708a_100102657272_100015195280 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.11 CNC(=O)N1CC=CC1 273464a_100102657272_100015195280 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.11 CNC(C)c1ncc[nH]1 269862a_106832991636_100000718901 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.11 CNC(C)c1nccs1 2230a_100000725601_200000210301 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.11 COC(C)c1nccs1 7a_100000751044_200000210301 [0,1,0,0,0,0|0,0,2]=3 118 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,1,0,0,0,0|1,0,2]=4 119 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,1,0,0,0,0|1,0,2]=4 120 B9R1.11 O=C(CF)C1CC=CC1 1458a_100000759439_100015361967 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.11 O=C(CO)N1CC=CC1 240690a_100015195280_100000210174 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.35 C=C(C)c1cc([nH]n1)C 271570a_100000694244_100015199547 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.35 C=C(C)c1cc([nH]n1)N 271570a_100000694244_100009822546 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.35 C=C(C)c1cc(ns1)C 271570a_100000694244_100009815735 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.35 C=C(C)c1ccn(n1)C 271570a_100000694244_100000752436 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.35 C=C(C)c1cn(cn1)C 271570a_100000694244_100000040308 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.35 C=C(C)c1csc(n1)N 271570a_100000694244_100011998049 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.35 C=C(C)c1n[nH]c(n1)C 271570a_100000694244_100000732540 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.35 C=C(C)c1n[nH]c(n1)N 271570a_100000694244_100015184587 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.35 C=C(C)c1nc(cs1)Br 271570a_100000694244_200016082925 [0,1,0,0,0,0|1,0,0]=2 138 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.35 C=C(C)c1nc(cs1)N 271570a_100000694244_200015188442 [0,1,0,0,0,0|1,0,0]=2 140 B9R1.35 C=C(C)c1nc(ns1)C 271570a_100000694244_100000709739 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,1,0,0,0,0|1,0,0]=2 142 B9R1.35 C=C(C)c1ncn(n1)C 271570a_100000694244_100009819955 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.35 C=C(C)c1nnc(o1)C 271570a_100000694244_100000708914 [0,1,0,0,0,0|2,1,0]=4 144 B9R1.35 C=C(C)c1nnc(s1)C 271570a_100000694244_100000686958 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.35 C=C(C)c1nnc(s1)N 271570a_100000694244_100000738278 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.35 C=C(C)c1noc(n1)C 271570a_100000694244_100012003639 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.35 CC(=O)C1CSC(=N1)N 1458a_100000002200_200000210301 [0,1,0,0,0,0|2,0,1]=4 148 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,0,0,0|1,0,1]=3 150 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,0,0|1,1,0]=3 151 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,0,0,0|0,0,0]=1 157 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,0,0,0|0,0,0]=1 158 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.35 CC(C)c1nc(cs1)O 271570a_203496583355_200011934575 [0,1,0,0,0,0|1,0,1]=3 160 B9R1.35 CC(C)c1nnc(s1)O 271570a_203496583355_100000687747 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.35 CC(N)c1cc(cs1)O 271570a_203496583355_100159270200 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,1,0,0,0,0|2,0,1]=4 163 B9R1.35 CN(C)c1nc(cs1)O 271570a_203496583355_100012356714 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.35 CN(C)c1ncc(s1)O 271570a_203496583355_100012356744 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.35 CN(C)c1nnc(s1)N 27a_100102631434_100000738278 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.35 Cc1nnc(s1)N(C)C 27a_100102631434_100000686958 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.35 Cc1noc(n1)C(=O)N 270196a_100000212224_100011215815 [0,1,0,0,0,0|2,1,0]=4 168 B9R1.35 Cc1nsc(n1)N(C)C 27a_100102631434_100000709739 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,0,0,0|2,0,1]=4 170 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,0,0,0|2,1,0]=4 171 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.35 Oc1cnc(s1)C(F)F 271570a_203496583355_100010742959 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.35 [13CH3]C(=O)C1CSC(=N1)N 1458a_100000002200_200025704644 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.41 C=C(C)c1n[nH]cc1Br 271570a_100000694244_100015839836 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.41 C=C(C)c1n[nH]cc1C 271570a_100000694244_100009871783 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.41 C=C(C)c1n[nH]cc1N 271570a_100000694244_100010894806 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.41 C=C(C)c1ncnn1C 271570a_100000694244_100000732653 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,0,0|1,0,0]=2 189 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,1,0,0,0,0|2,0,0]=3 190 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,0,1,0,0,0|2,0,0]=3 191 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,0,1,0,0,0|2,0,0]=3 192 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,0,1,0,0,0|1,0,2]=4 193 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,0,1,0,0,0|1,0,2]=4 194 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,0,1,0,0,0|2,0,1]=4 195 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,0,1,0,0,0|2,1,0]=4 196 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,0,1,0,0,0|2,0,1]=4 197 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,0,1,0,0,0|2,0,1]=4 198 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,0,1,0,0,0|3,0,0]=4 199 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,0,1,0,0,0|3,0,0]=4 200 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,0,1,0,0,0|3,0,0]=4 201 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,0,1,0,0,0|3,0,0]=4 202 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,0,1,0,0,0|2,0,1]=4 203 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,0,1,0,0,0|2,0,1]=4 204 B9R2.2 c1c[nH]c(n1)C2CC2 271570a_100011220607_100025796157 [0,0,0,1,0,0|2,0,1]=4 205 B9R2.2 c1coc(n1)C2CC2 271570a_100011220607_100011787736 [0,0,0,1,0,0|1,1,1]=4 206 B9R2.2 c1csc(c1)C2CC2 271570a_100011220607_100011215356 [0,0,0,1,0,0|2,0,1]=4 207 B9R2.2 c1csc(n1)C2CC2 271570a_100011220607_100000211983 [0,0,0,1,0,0|1,0,1]=3 208 B9R2.2 c1nnc(s1)C2CC2 271570a_100011220607_100000739804 [0,0,0,1,0,0|2,0,1]=4 209 B9R2.2 c1nsc(n1)C2CC2 271570a_100011220607_100000693119 [0,0,0,1,0,0|2,0,1]=4 210 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,0,1|2,0,0]=3 212 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,0,0,0,0,1|2,0,0]=3 213 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,0,0,0,0,1|2,0,0]=3 214 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [0,0,0,0,0,1|3,0,0]=4 215 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,0,0,0,0,1|2,0,0]=3 216 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,0,0,0,0,1|2,0,0]=3 218 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,0,0,0,0,1|2,0,0]=3 220 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,0,0,1|2,0,1]=4 225 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,0,1|2,0,0]=3 226 B9R1.6 CN(C)c1cccnn1 27a_100102631434_100016991348 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.6 CN(C)c1ccncn1 27a_100102631434_100000703185 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.6 CN(C)c1ncccn1 27a_100102631434_100000211032 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,0,0,1|2,0,1]=4 231 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,0,1|2,0,0]=3 232 B9R1.13 CC(=Cc1c[nH]cn1)C 271570a_100102525489_100000756875 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.13 CC(=Cc1cc[nH]n1)C 271570a_100102525489_100000062575 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,0,0,0,1|2,1,0]=4 235 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,0,0,0,1|2,0,0]=3 236 B9R1.13 CC(=Cc1ccsn1)C 271570a_100102525489_100009818082 [0,0,0,0,0,1|3,0,0]=4 237 B9R1.13 CC(=Cc1cncs1)C 271570a_100102525489_100011934649 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.13 CC(=Cc1cscn1)C 271570a_100102525489_100000751502 [0,0,0,0,0,1|3,0,0]=4 239 B9R1.13 CC(=Cc1nc[nH]n1)C 271570a_100102525489_100000761765 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [0,0,0,0,0,1|2,0,0]=3 241 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,0,0,0,0,1|1,1,0]=3 242 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [0,0,0,0,0,1|1,0,0]=2 243 B9R1.13 CC(=Cc1ncns1)C 271570a_100102525489_100000693119 [0,0,0,0,0,1|2,0,0]=3 244 B9R1.13 CC(=Cc1nncs1)C 271570a_100102525489_100000739804 [0,0,0,0,0,1|2,0,0]=3 245 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,0,0,0,0,1|2,0,1]=4 246 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [0,0,0,0,0,1|2,0,0]=3 247 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,0,0,0,1|1,0,1]=3 249 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,0,0,0,1|1,1,0]=3 250 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,0,0,0,1|1,0,0]=2 251 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [0,0,0,0,0,1|2,0,1]=4 252 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [0,0,0,0,0,1|2,0,1]=4 253 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [0,0,0,0,0,1|2,0,0]=3 255 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,0,0,0,1|3,0,0]=4 257 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [0,0,0,0,0,1|2,0,0]=3 258 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [0,0,0,0,0,1|2,0,0]=3 259 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [0,0,0,0,0,1|2,0,0]=3 260 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,0,0,0,1|0,1,0]=2 261 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,0,0,0,1|0,0,0]=1 262 B9R1.13 CC(=O)Cc1nnn[nH]1 1458a_100000070787_100000765167 [0,0,0,0,0,1|3,0,0]=4 263 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,0,0,0,1|3,0,0]=4 264 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [0,0,0,0,0,1|2,0,0]=3 265 B9R1.13 CC(=O)Cn1ccnn1 1458a_100000080816_200000210301 [0,0,0,0,0,1|3,0,0]=4 266 B9R1.13 CC(=O)Cn1cncn1 1458a_100000070787_200020645497 [0,0,0,0,0,1|3,0,0]=4 267 B9R1.13 CC(=O)Cn1cncn1 1458a_100000699347_200000210301 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.13 CC(=O)Cn1nccn1 1458a_100000080817_200000210301 [0,0,0,0,0,1|2,0,0]=3 269 B9R1.13 CC(=O)NC1C=CN=N1 11a_100134613517_100015343762 [0,0,0,0,0,1|2,0,1]=4 270 B9R1.13 CC(=O)NC1C=CN=N1 240690a_100134613517_100015343762 [0,0,0,0,0,1|2,0,1]=4 271 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [0,0,0,0,0,1|2,0,1]=4 272 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [0,0,0,0,0,1|2,0,1]=4 273 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [0,0,0,0,0,1|2,0,1]=4 274 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [0,0,0,0,0,1|2,0,1]=4 275 B9R1.13 CC(C)Nc1ncns1 27a_100138425928_100000693119 [0,0,0,0,0,1|2,0,1]=4 276 B9R1.13 CC(C)Nc1nncs1 27a_100138425928_100000739804 [0,0,0,0,0,1|2,0,1]=4 277 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [0,0,0,0,0,1|2,0,1]=4 278 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [0,0,0,0,0,1|2,0,1]=4 279 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100000210206_100025796157 [0,0,0,0,0,1|2,0,1]=4 280 B9R1.13 CC(C)Sc1ncc[nH]1 62a_100025796157_100000210206 [0,0,0,0,0,1|2,0,1]=4 281 B9R1.13 CC(C)Sc1ncco1 62a_100000210206_100011787736 [0,0,0,0,0,1|1,1,1]=4 282 B9R1.13 CC(C)Sc1ncco1 62a_100011787736_100000210206 [0,0,0,0,0,1|1,1,1]=4 283 B9R1.13 CC(C)Sc1nccs1 62a_100000210206_100000211983 [0,0,0,0,0,1|1,0,1]=3 284 B9R1.13 CC(C)Sc1nccs1 62a_100000211983_100000210206 [0,0,0,0,0,1|1,0,1]=3 285 B9R1.13 CC(C)Sc1ncns1 62a_100000210206_100000693119 [0,0,0,0,0,1|2,0,1]=4 286 B9R1.13 CC(C)Sc1ncns1 62a_100000693119_100000210206 [0,0,0,0,0,1|2,0,1]=4 287 B9R1.13 CC(C)Sc1nncs1 62a_100000210206_100000739804 [0,0,0,0,0,1|2,0,1]=4 288 B9R1.13 CC(C)Sc1nncs1 62a_100000739804_100000210206 [0,0,0,0,0,1|2,0,1]=4 289 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [0,0,0,0,0,1|3,0,0]=4 290 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100015184136_200000210301 [0,0,0,0,0,1|3,0,0]=4 293 B9R1.13 CN(C)Cc1ncc[nH]1 2230a_100102631434_100016991755 [0,0,0,0,0,1|3,0,0]=4 294 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100015184136_200000210301 [0,0,0,0,0,1|3,0,0]=4 295 B9R1.13 CN(C)Cc1ncc[nH]1 269982a_100102631434_100016991755 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.13 CN(C)Cc1ncco1 2230a_100102631434_103436540062 [0,0,0,0,0,1|2,1,0]=4 297 B9R1.13 CN(C)Cc1ncco1 269982a_100102631434_103436540062 [0,0,0,0,0,1|2,1,0]=4 298 B9R1.13 CN(C)Cc1ncco1 270004a_100102631434_100000064290 [0,0,0,0,0,1|2,1,0]=4 299 B9R1.13 CN(C)Cc1nccs1 2230a_100000765864_200000210301 [0,0,0,0,0,1|2,0,0]=3 300 B9R1.13 CN(C)Cc1nccs1 2230a_100102631434_100015184050 [0,0,0,0,0,1|2,0,0]=3 301 B9R1.13 CN(C)Cc1nccs1 269982a_100000765864_200000210301 [0,0,0,0,0,1|2,0,0]=3 302 B9R1.13 CN(C)Cc1nccs1 269982a_100102631434_100015184050 [0,0,0,0,0,1|2,0,0]=3 303 B9R1.13 CN(C)Cc1nccs1 270004a_100102631434_100000750902 [0,0,0,0,0,1|2,0,0]=3 304 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [0,0,0,0,0,1|3,0,0]=4 305 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [0,0,0,0,0,1|3,0,0]=4 306 B9R1.13 CN([13CH3])Cc1ncc[nH]1 2230a_100015184136_200025704644 [0,0,0,0,0,1|3,0,0]=4 307 B9R1.13 CN([13CH3])Cc1ncc[nH]1 269982a_100015184136_200025704644 [0,0,0,0,0,1|3,0,0]=4 308 B9R1.13 CN([13CH3])Cc1nccs1 2230a_100000765864_200025704644 [0,0,0,0,0,1|2,0,0]=3 309 B9R1.13 CN([13CH3])Cc1nccs1 269982a_100000765864_200025704644 [0,0,0,0,0,1|2,0,0]=3 310 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,0,0,0,0,1|2,0,1]=4 311 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [0,0,0,0,0,1|2,0,0]=3 312 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,0,0,0,1|1,0,1]=3 313 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,0,0,0,1|1,1,0]=3 314 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,0,0,0,1|1,0,0]=2 315 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [0,0,0,0,0,1|2,0,1]=4 316 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,0,0,0,1|3,0,0]=4 317 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,0,0,0,1|3,0,0]=4 318 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [0,0,0,0,0,1|2,0,0]=3 319 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,0,0,0,1|3,0,0]=4 320 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [0,0,0,0,0,1|2,0,0]=3 321 B9R1.13 [13CH3]C(=O)Cn1ccnn1 1458a_100000080816_200025704644 [0,0,0,0,0,1|3,0,0]=4 322 B9R1.13 [13CH3]C(=O)Cn1cncn1 1458a_100000699347_200025704644 [0,0,0,0,0,1|3,0,0]=4 323 B9R1.13 [13CH3]C(=O)Cn1nccn1 1458a_100000080817_200025704644 [0,0,0,0,0,1|2,0,0]=3 324 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,1,0,0,0|1,0,1]=4 325 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,1,0,0,0|1,0,0]=3 326 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,1,0,0,0|1,0,0]=3 327 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,1,0,0,0|1,0,1]=4 328 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,1,0,0,0|1,0,1]=4 329 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,1,0,0,0|1,0,1]=4 330 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,1,0,0,0|2,0,0]=4 331 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,1,0,0,0|2,0,0]=4 332 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,1,0,0,0|2,0,0]=4 333 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,1,0,0,0|1,0,1]=4 334 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,1,0,0,0|1,0,1]=4 335 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,1,0,0,0|1,0,1]=4 336 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,1,0,0,0|1,0,1]=4 337 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|1,0,1]=4 338 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|1,0,1]=4 339 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,1,0,0,0|2,0,0]=4 340 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,1,0,0,0|2,0,0]=4 341 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,1,0,0,0|1,0,1]=4 342 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,1,0,0,0|1,0,1]=4 343 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,0,1,0,0,0|1,0,1]=4 344 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,0,1,0,0,0|1,0,1]=4 345 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [2,0,0,0,0,0|1,0,1]=4 346 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [2,0,0,0,0,0|1,0,1]=4 347 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [2,0,0,0,0,0|0,1,1]=4 348 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [2,0,0,0,0,0|0,0,1]=3 349 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [2,0,0,0,0,0|1,0,1]=4 350 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [2,0,0,0,0,0|1,0,1]=4 351 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,1,0,0,0|2,0,0]=4 352 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,1,1,0,0,0|2,0,0]=4 353 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [0,1,1,0,0,0|2,0,0]=4 354 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [0,1,1,0,0,0|2,0,0]=4 355 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [0,1,1,0,0,0|2,0,0]=4 356 B8R0.9 C=CC(=NNC(=O)C)C 4a_100000189765_200015361842 [0,1,1,0,0,0|2,0,0]=4 357 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,1,0,0,0|2,0,0]=4 358 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,1,0,0,0|2,0,0]=4 359 B8R0.28 C=C(C)C=NNC(=O)C 4a_100000189765_100000210575 [0,1,1,0,0,0|2,0,0]=4 360 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,1,1,0,0,0|1,1,0]=4 361 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [1,1,0,0,0,0|1,0,1]=4 362 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [1,1,0,0,0,0|1,0,1]=4 363 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,1,0,0,0,0|1,0,1]=4 364 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [1,1,0,0,0,0|1,0,1]=4 365 B8R1.1 C=Cc1nc(cs1)Br 271570a_100011290941_200016082925 [1,1,0,0,0,0|0,0,1]=3 366 B8R1.1 C=Cc1nc(cs1)C 271570a_100011290941_100011291629 [1,1,0,0,0,0|0,0,1]=3 367 B8R1.1 C=Cc1nc(cs1)N 271570a_100011290941_200015188442 [1,1,0,0,0,0|0,0,1]=3 368 B8R1.1 C=Cc1nc(ns1)C 271570a_100011290941_100000709739 [1,1,0,0,0,0|1,0,1]=4 369 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [1,1,0,0,0,0|0,0,1]=3 370 B8R1.1 C=Cc1nnc(s1)C 271570a_100011290941_100000686958 [1,1,0,0,0,0|1,0,1]=4 371 B8R1.1 C=Cc1nnc(s1)N 271570a_100011290941_100000738278 [1,1,0,0,0,0|1,0,1]=4 372 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [1,1,0,0,0,0|1,0,1]=4 373 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,1,0,0,0,0|1,0,1]=4 374 B8R1.1 CNc1nc(ns1)C 27a_100102657272_100000709739 [1,1,0,0,0,0|2,0,0]=4 375 B8R1.1 CNc1nnc(s1)C 27a_100102657272_100000686958 [1,1,0,0,0,0|2,0,0]=4 376 B8R1.1 CNc1nnc(s1)N 27a_100102657272_100000738278 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.1 CNc1nnc(s1)O 271570a_203496583355_200012111945 [1,1,0,0,0,0|2,0,0]=4 378 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [1,1,0,0,0,0|1,0,0]=3 379 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [1,1,0,0,0,0|1,0,0]=3 380 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [1,1,0,0,0,0|2,0,0]=4 381 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [1,1,0,0,0,0|2,0,0]=4 382 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [1,1,0,0,0,0|2,0,0]=4 384 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [1,1,0,0,0,0|2,0,0]=4 385 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [1,1,0,0,0,0|2,0,0]=4 386 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [1,1,0,0,0,0|2,0,0]=4 387 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [1,1,0,0,0,0|2,0,0]=4 389 B8R1.1 CSc1nc(cs1)Br 62a_200000210301_200016082925 [1,1,0,0,0,0|1,0,0]=3 390 B8R1.1 CSc1nc(cs1)Br 62a_200016082925_200000210301 [1,1,0,0,0,0|1,0,0]=3 391 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [1,1,0,0,0,0|1,0,0]=3 393 B8R1.1 CSc1nc(cs1)N 62a_200000210301_200015188442 [1,1,0,0,0,0|1,0,0]=3 394 B8R1.1 CSc1nc(cs1)N 62a_200015188442_200000210301 [1,1,0,0,0,0|1,0,0]=3 395 B8R1.1 CSc1nc(cs1)O 271570a_203496583355_100000732701 [1,1,0,0,0,0|1,0,0]=3 396 B8R1.1 CSc1nc(ns1)C 62a_100000709739_200000210301 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.1 CSc1nc(ns1)C 62a_200000210301_100000709739 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.1 CSc1nc(ns1)O 271570a_203496583355_200010005773 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [1,1,0,0,0,0|1,0,0]=3 400 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [1,1,0,0,0,0|1,0,0]=3 401 B8R1.1 CSc1nnc(s1)C 62a_100000686958_200000210301 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.1 CSc1nnc(s1)C 62a_200000210301_100000686958 [1,1,0,0,0,0|2,0,0]=4 403 B8R1.1 CSc1nnc(s1)N 62a_100000738278_200000210301 [1,1,0,0,0,0|2,0,0]=4 404 B8R1.1 CSc1nnc(s1)N 62a_200000210301_100000738278 [1,1,0,0,0,0|2,0,0]=4 405 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [1,1,0,0,0,0|2,0,0]=4 409 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [1,1,0,0,0,0|1,0,0]=3 410 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [1,1,0,0,0,0|1,0,0]=3 411 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [1,1,0,0,0,0|2,0,0]=4 413 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [1,1,0,0,0,0|1,0,0]=3 414 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [1,1,0,0,0,0|1,0,0]=3 415 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_100000686958_200025704644 [1,1,0,0,0,0|2,0,0]=4 416 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_200025704644_100000686958 [1,1,0,0,0,0|2,0,0]=4 417 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_100000709739_200025704644 [1,1,0,0,0,0|2,0,0]=4 418 B8R1.1 Cc1nsc(n1)S[13CH3] 62a_200025704644_100000709739 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.1 N#Cc1nc(cs1)O 271570a_203496583355_100009819034 [1,1,0,0,0,0|1,0,1]=4 420 B8R1.1 NCc1ncc(s1)O 271570a_203496583355_100016991807 [1,1,0,0,0,0|1,0,1]=4 421 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,1,0,0,0,0|1,1,0]=4 422 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,1,0,0,0,0|1,0,0]=3 423 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,1,0,0,0,0|1,1,0]=4 424 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,1,0,0,0,0|1,0,0]=3 425 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [1,1,0,0,0,0|0,0,0]=2 428 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [1,1,0,0,0,0|0,0,0]=2 429 B8R1.1 OCc1nc(cs1)O 271570a_203496583355_100012000107 [1,1,0,0,0,0|0,0,2]=4 430 B8R1.1 OCc1ncc(s1)O 271570a_203496583355_100000696694 [1,1,0,0,0,0|0,0,2]=4 431 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [1,1,0,0,0,0|2,0,0]=4 433 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200016082925_200025704644 [1,1,0,0,0,0|1,0,0]=3 434 B8R1.1 [13CH3]Sc1nc(cs1)Br 62a_200025704644_200016082925 [1,1,0,0,0,0|1,0,0]=3 435 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200015188442_200025704644 [1,1,0,0,0,0|1,0,0]=3 436 B8R1.1 [13CH3]Sc1nc(cs1)N 62a_200025704644_200015188442 [1,1,0,0,0,0|1,0,0]=3 437 B8R1.1 [13CH3]Sc1nnc(s1)N 62a_100000738278_200025704644 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.1 [13CH3]Sc1nnc(s1)N 62a_200025704644_100000738278 [1,1,0,0,0,0|2,0,0]=4 439 B8R1.8 C=C=Cc1cccs1 271570a_100015277604_100011215356 [1,1,0,0,0,0|1,0,1]=4 440 B8R1.8 C=C=Cc1ncc[nH]1 271570a_100015277604_100025796157 [1,1,0,0,0,0|1,0,1]=4 441 B8R1.8 C=C=Cc1ncco1 271570a_100015277604_100011787736 [1,1,0,0,0,0|0,1,1]=4 442 B8R1.8 C=C=Cc1nccs1 271570a_100015277604_100000211983 [1,1,0,0,0,0|0,0,1]=3 443 B8R1.8 C=C=Cc1ncns1 271570a_100015277604_100000693119 [1,1,0,0,0,0|1,0,1]=4 444 B8R1.8 C=C=Cc1nncs1 271570a_100015277604_100000739804 [1,1,0,0,0,0|1,0,1]=4 445 B8R1.8 CC=Cc1c[nH]cn1 271570a_100016259895_100000756875 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.8 CC=Cc1cc[nH]n1 271570a_100016259895_100000062575 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,1,0,0,0,0|1,1,0]=4 448 B8R1.8 CC=Cc1cccs1 271570a_100016259895_100011215356 [1,1,0,0,0,0|1,0,0]=3 449 B8R1.8 CC=Cc1ccsn1 271570a_100016259895_100009818082 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.8 CC=Cc1cncs1 271570a_100016259895_100011934649 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.8 CC=Cc1cscn1 271570a_100016259895_100000751502 [1,1,0,0,0,0|2,0,0]=4 452 B8R1.8 CC=Cc1nc[nH]n1 271570a_100016259895_100000761765 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.8 CC=Cc1ncc[nH]1 271570a_100016259895_100025796157 [1,1,0,0,0,0|1,0,0]=3 454 B8R1.8 CC=Cc1ncco1 271570a_100016259895_100011787736 [1,1,0,0,0,0|0,1,0]=3 455 B8R1.8 CC=Cc1nccs1 271570a_100016259895_100000211983 [1,1,0,0,0,0|0,0,0]=2 456 B8R1.8 CC=Cc1ncns1 271570a_100016259895_100000693119 [1,1,0,0,0,0|1,0,0]=3 457 B8R1.8 CC=Cc1nncs1 271570a_100016259895_100000739804 [1,1,0,0,0,0|1,0,0]=3 458 B8R1.8 CCNc1ncns1 27a_100015525214_100000693119 [1,1,0,0,0,0|1,0,1]=4 459 B8R1.8 CCNc1nncs1 27a_100015525214_100000739804 [1,1,0,0,0,0|1,0,1]=4 460 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,1,0,0,0,0|1,0,1]=4 461 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,1,0,0,0,0|1,0,1]=4 462 B8R1.8 CCSc1ncc[nH]1 62a_100000210202_100025796157 [1,1,0,0,0,0|1,0,1]=4 463 B8R1.8 CCSc1ncc[nH]1 62a_100025796157_100000210202 [1,1,0,0,0,0|1,0,1]=4 464 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,1,0,0,0,0|0,1,1]=4 465 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,1,0,0,0,0|0,1,1]=4 466 B8R1.8 CCSc1nccs1 62a_100000210202_100000211983 [1,1,0,0,0,0|0,0,1]=3 467 B8R1.8 CCSc1nccs1 62a_100000211983_100000210202 [1,1,0,0,0,0|0,0,1]=3 468 B8R1.8 CCSc1ncns1 62a_100000210202_100000693119 [1,1,0,0,0,0|1,0,1]=4 469 B8R1.8 CCSc1ncns1 62a_100000693119_100000210202 [1,1,0,0,0,0|1,0,1]=4 470 B8R1.8 CCSc1nncs1 62a_100000210202_100000739804 [1,1,0,0,0,0|1,0,1]=4 471 B8R1.8 CCSc1nncs1 62a_100000739804_100000210202 [1,1,0,0,0,0|1,0,1]=4 472 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,1,0,0,0,0|1,0,1]=4 473 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,1,0,0,0,0|1,0,1]=4 474 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,1,0,0,0,0|1,0,1]=4 475 B8R1.8 CNCc1ncc[nH]1 207a_100102657272_100000743867 [1,1,0,0,0,0|1,0,1]=4 476 B8R1.8 CNCc1ncc[nH]1 2230a_106832991635_100016991755 [1,1,0,0,0,0|1,0,1]=4 477 B8R1.8 CNCc1ncc[nH]1 34a_100102657272_100016991755 [1,1,0,0,0,0|1,0,1]=4 478 B8R1.8 CNCc1ncc[nH]1 7a_106832991635_100000753453 [1,1,0,0,0,0|1,0,1]=4 479 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [1,1,0,0,0,0|0,1,1]=4 480 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [1,1,0,0,0,0|0,1,1]=4 481 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [1,1,0,0,0,0|0,1,1]=4 482 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [1,1,0,0,0,0|0,1,1]=4 483 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [1,1,0,0,0,0|0,1,1]=4 484 B8R1.8 CNCc1nccs1 207a_100102657272_100000750902 [1,1,0,0,0,0|0,0,1]=3 485 B8R1.8 CNCc1nccs1 2230a_100000740555_200000210301 [1,1,0,0,0,0|0,0,1]=3 486 B8R1.8 CNCc1nccs1 2230a_106832991635_100015184050 [1,1,0,0,0,0|0,0,1]=3 487 B8R1.8 CNCc1nccs1 270004a_106832991635_100000750902 [1,1,0,0,0,0|0,0,1]=3 488 B8R1.8 CNCc1nccs1 34a_100102657272_100015184050 [1,1,0,0,0,0|0,0,1]=3 489 B8R1.8 CNCc1nccs1 7a_106832991635_100015184050 [1,1,0,0,0,0|0,0,1]=3 490 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,1,0,0,0,0|1,0,1]=4 491 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,1,0,0,0,0|1,0,1]=4 492 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,1,0,0,0,0|0,1,1]=4 493 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,1,0,0,0,0|0,1,1]=4 494 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [1,1,0,0,0,0|0,0,1]=3 495 B8R1.8 CSCc1ncc[nH]1 62a_100016991755_200000210301 [1,1,0,0,0,0|1,0,1]=4 496 B8R1.8 CSCc1ncc[nH]1 62a_200000210301_100016991755 [1,1,0,0,0,0|1,0,1]=4 497 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [1,1,0,0,0,0|0,1,1]=4 498 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [1,1,0,0,0,0|0,1,1]=4 499 B8R1.8 CSCc1nccs1 62a_100015184050_200000210301 [1,1,0,0,0,0|0,0,1]=3 500 B8R1.8 CSCc1nccs1 62a_200000210301_100015184050 [1,1,0,0,0,0|0,0,1]=3 501 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [1,1,0,0,0,0|2,0,0]=4 502 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [1,1,0,0,0,0|2,0,0]=4 503 B8R1.8 FCSc1ncc[nH]1 62a_100015361967_100025796157 [1,1,0,0,0,0|2,0,0]=4 504 B8R1.8 FCSc1ncc[nH]1 62a_100025796157_100015361967 [1,1,0,0,0,0|2,0,0]=4 505 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [1,1,0,0,0,0|1,1,0]=4 506 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [1,1,0,0,0,0|1,1,0]=4 507 B8R1.8 FCSc1nccs1 62a_100000211983_100015361967 [1,1,0,0,0,0|1,0,0]=3 508 B8R1.8 FCSc1nccs1 62a_100015361967_100000211983 [1,1,0,0,0,0|1,0,0]=3 509 B8R1.8 FCSc1ncns1 62a_100000693119_100015361967 [1,1,0,0,0,0|2,0,0]=4 510 B8R1.8 FCSc1ncns1 62a_100015361967_100000693119 [1,1,0,0,0,0|2,0,0]=4 511 B8R1.8 FCSc1nncs1 62a_100000739804_100015361967 [1,1,0,0,0,0|2,0,0]=4 512 B8R1.8 FCSc1nncs1 62a_100015361967_100000739804 [1,1,0,0,0,0|2,0,0]=4 513 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,1,0,0,0,0|1,0,1]=4 514 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [1,1,0,0,0,0|0,1,1]=4 515 B8R1.8 [13CH3]NCc1nccs1 2230a_100000740555_200025704644 [1,1,0,0,0,0|0,0,1]=3 516 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,1,0,0,0,0|1,0,1]=4 517 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,1,0,0,0,0|0,1,1]=4 518 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_100016991755_200025704644 [1,1,0,0,0,0|1,0,1]=4 519 B8R1.8 [13CH3]SCc1ncc[nH]1 62a_200025704644_100016991755 [1,1,0,0,0,0|1,0,1]=4 520 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [1,1,0,0,0,0|0,1,1]=4 521 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [1,1,0,0,0,0|0,1,1]=4 522 B8R1.8 [13CH3]SCc1nccs1 62a_100015184050_200025704644 [1,1,0,0,0,0|0,0,1]=3 523 B8R1.8 [13CH3]SCc1nccs1 62a_200025704644_100015184050 [1,1,0,0,0,0|0,0,1]=3 524 B8R1.11 C=Cc1nccn1C 271570a_100011290941_100000707724 [1,1,0,0,0,0|1,0,1]=4 525 B8R1.11 C=Cc1sccc1Br 271570a_100011290941_100012361411 [1,1,0,0,0,0|1,0,1]=4 526 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [1,1,0,0,0,0|1,0,1]=4 527 B8R1.11 CSc1nccn1C 62a_100000707724_200000210301 [1,1,0,0,0,0|2,0,0]=4 528 B8R1.11 CSc1nccn1C 62a_200000210301_100000707724 [1,1,0,0,0,0|2,0,0]=4 529 B8R1.11 CSc1sccc1Br 62a_100012361411_200000210301 [1,1,0,0,0,0|2,0,0]=4 530 B8R1.11 CSc1sccc1Br 62a_200000210301_100012361411 [1,1,0,0,0,0|2,0,0]=4 531 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,1,0,0,0,0|2,0,0]=4 532 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,1,0,0,0,0|2,0,0]=4 533 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,1,0,0,0,0|2,0,0]=4 534 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,1,0,0,0,0|2,0,0]=4 535 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,1,0,0,0,0|2,0,0]=4 536 B8R1.11 Cn1ccnc1S[13CH3] 62a_100000707724_200025704644 [1,1,0,0,0,0|2,0,0]=4 537 B8R1.11 Cn1ccnc1S[13CH3] 62a_200025704644_100000707724 [1,1,0,0,0,0|2,0,0]=4 538 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,1,0,0,0,0|1,1,0]=4 539 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [1,1,0,0,0,0|1,0,0]=3 540 B8R1.11 [13CH3]Sc1sccc1Br 62a_100012361411_200025704644 [1,1,0,0,0,0|2,0,0]=4 541 B8R1.11 [13CH3]Sc1sccc1Br 62a_200025704644_100012361411 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.13 C=C(C)c1ccc(=O)[nH]n1 271570a_100000694244_100009820020 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.13 C=C(C)c1ccc(nn1)N 271570a_100000694244_100009816609 [0,1,0,0,0,1|2,0,0]=4 556 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [0,1,0,0,0,1|2,0,0]=4 557 B10R1.13 C=C(C)c1cnc(cn1)F 271570a_100000694244_100009856528 [0,1,0,0,0,1|2,0,0]=4 558 B10R1.13 C=C(C)c1cnc(cn1)N 271570a_100000694244_100000761932 [0,1,0,0,0,1|2,0,0]=4 559 B10R1.13 C=C(C)c1ncc(cn1)Br 271570a_100000694244_100000690281 [0,1,0,0,0,1|2,0,0]=4 560 B10R1.13 C=C(C)c1ncc(cn1)C 271570a_100000694244_100011825175 [0,1,0,0,0,1|2,0,0]=4 561 B10R1.13 C=C(C)c1ncc(cn1)Cl 271570a_100000694244_100011356929 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.13 C=C(C)c1ncc(cn1)F 271570a_100000694244_100000685220 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.13 C=C(C)c1ncc(cn1)N 271570a_100000694244_100000068403 [0,1,0,0,0,1|2,0,0]=4 564 B10R1.13 C=C(C)c1ncc(cn1)O 271570a_100000694244_100000730009 [0,1,0,0,0,1|2,0,0]=4 565 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,1,0,0,0,1|1,0,1]=4 566 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,0,1|2,0,0]=4 567 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,0,1|2,0,0]=4 568 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,0,1|2,0,0]=4 571 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,0,1|1,0,0]=3 574 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,0,1|1,0,0]=3 575 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,1,0,0,0,1|1,0,0]=3 576 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,1,0,0,0,1|1,0,0]=3 578 B10R1.13 CS(=O)c1ncc(cn1)O 271570a_203496583355_100010117237 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,0,1|2,0,0]=4 582 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,1,0,0,0,1|2,0,0]=4 583 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,1,0,0,0,1|2,0,0]=4 584 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,1,0,0,0,1|1,0,1]=4 586 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,0,1|2,0,0]=4 591 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,1,0,0,0,1|2,0,0]=4 593 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,1,0,0,0,1|2,0,0]=4 597 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,1,0,0,0,1|2,0,0]=4 600 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,1,0,0,0,1|2,0,0]=4 602 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,1,0,0,0,1|2,0,0]=4 603 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,1,0,0,0,1|2,0,0]=4 604 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,1,0,0,0,1|2,0,0]=4 605 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,1,0,0,0,1|2,0,0]=4 606 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,1,0,0,0,1|2,0,0]=4 607 B10R1.61 C=C(C)c1ncc[nH]c1=O 271570a_100000694244_100000763361 [0,1,0,0,0,1|2,0,0]=4 608 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,1,0,0,0,1|2,0,0]=4 609 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,1,0,0,0,1|2,0,0]=4 610 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,1,0,0,0,1|2,0,0]=4 611 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,1,0,0,0,1|2,0,0]=4 612 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,1,0,0,0,1|2,0,0]=4 613 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,1,0,0,0,1|2,0,0]=4 614 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [0,1,0,0,0,1|2,0,0]=4 615 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [0,1,0,0,0,1|2,0,0]=4 616 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [0,1,0,0,0,1|2,0,0]=4 617 B10R1.61 C=C(C)c1ncncc1C 271570a_100000694244_100011998708 [0,1,0,0,0,1|2,0,0]=4 618 B10R1.61 C=C(C)c1ncncc1F 271570a_100000694244_100000069762 [0,1,0,0,0,1|2,0,0]=4 619 B10R1.61 C=C(C)c1ncncc1N 271570a_100000694244_100000709731 [0,1,0,0,0,1|2,0,0]=4 620 B10R1.61 C=C(C)c1nnccc1C 271570a_100000694244_100000089043 [0,1,0,0,0,1|2,0,0]=4 621 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,0,1|2,0,0]=4 622 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,0,1|2,0,0]=4 623 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,0,1|2,0,0]=4 624 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,0,1|2,0,0]=4 625 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,0,1|2,0,0]=4 626 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,0,1|2,0,0]=4 627 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,0,1|2,0,0]=4 628 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,0,1|2,0,0]=4 629 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,0,1|1,0,0]=3 630 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,1,0,0,0,1|2,0,0]=4 631 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,0,1|1,0,0]=3 632 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,0,1|1,0,0]=3 633 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,1,0,0,0,1|1,0,0]=3 634 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,0,1|2,0,0]=4 635 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,0,1|2,0,0]=4 636 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,0,1|2,0,0]=4 637 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,0,1|2,0,0]=4 638 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,1,0,0,0,1|2,0,0]=4 639 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,0,1|2,0,0]=4 640 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,0,1|2,0,0]=4 641 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,0,1|2,0,0]=4 642 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,0,1|2,0,0]=4 643 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,0,1|2,0,0]=4 644 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,0,1|2,0,0]=4 645 B10R1.113 C=C(C)c1c[n+](ccn1)[O-] 271570a_100000694244_100009880115 [0,1,0,0,0,1|2,0,0]=4 646 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,1,0,0,0,1|2,0,0]=4 647 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,1,0,0,0,1|2,0,0]=4 648 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,1,0,0,0,1|2,0,0]=4 649 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,1,0,0,0,1|2,0,0]=4 650 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,1,0,0,0,1|2,0,0]=4 651 B10R1.113 C=C(C)c1cc(cnn1)C 271570a_100000694244_100000070100 [0,1,0,0,0,1|2,0,0]=4 652 B10R1.113 C=C(C)c1cc(cnn1)O 271570a_100000694244_200010734679 [0,1,0,0,0,1|2,0,0]=4 653 B10R1.113 C=C(C)c1cc(ncn1)C 271570a_100000694244_100000744208 [0,1,0,0,0,1|2,0,0]=4 654 B10R1.113 C=C(C)c1cc(ncn1)F 271570a_100000694244_200009880791 [0,1,0,0,0,1|2,0,0]=4 655 B10R1.113 C=C(C)c1cc(ncn1)N 271570a_100000694244_100000701291 [0,1,0,0,0,1|2,0,0]=4 656 B10R1.113 C=C(C)c1cc(ncn1)O 271570a_100000694244_100000765262 [0,1,0,0,0,1|2,0,0]=4 657 B10R1.113 C=C(C)c1cc[nH]c(=O)n1 271570a_100000694244_200000134032 [0,1,0,0,0,1|2,0,0]=4 658 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,1,0,0,0,1|2,0,0]=4 659 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,0,1|2,0,0]=4 660 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,1,0,0,0,1|2,0,0]=4 661 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,1,0,0,0,1|2,0,0]=4 662 B10R1.113 C=C(C)c1ccnc(n1)C 271570a_100000694244_100000749937 [0,1,0,0,0,1|2,0,0]=4 663 B10R1.113 C=C(C)c1ccnc(n1)N 271570a_100000694244_100009820717 [0,1,0,0,0,1|2,0,0]=4 664 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [0,1,0,0,0,1|2,0,0]=4 665 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,1,0,0,0,1|2,0,0]=4 666 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [0,1,0,0,0,1|2,0,0]=4 667 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [0,1,0,0,0,1|2,0,0]=4 668 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [0,1,0,0,0,1|2,0,0]=4 669 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [0,1,0,0,0,1|2,0,0]=4 670 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [0,1,0,0,0,1|2,0,0]=4 671 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [0,1,0,0,0,1|2,0,0]=4 672 B10R1.113 C=C(C)c1cncc(n1)F 271570a_100000694244_200009863489 [0,1,0,0,0,1|2,0,0]=4 673 B10R1.113 C=C(C)c1cncc(n1)N 271570a_100000694244_100009819714 [0,1,0,0,0,1|2,0,0]=4 674 B10R1.113 C=C(C)c1cncc(n1)O 271570a_100000694244_100011269956 [0,1,0,0,0,1|2,0,0]=4 675 B10R1.113 C=C(C)c1nccc(n1)C 271570a_100000694244_100011243806 [0,1,0,0,0,1|2,0,0]=4 676 B10R1.113 C=C(C)c1nccc(n1)N 271570a_100000694244_100000757536 [0,1,0,0,0,1|2,0,0]=4 677 B10R1.113 C=C(C)c1nccc(n1)O 271570a_100000694244_100011649813 [0,1,0,0,0,1|2,0,0]=4 678 B10R1.113 C=C(C)c1ncnc(n1)N 271570a_100000694244_100000123831 [0,1,0,0,0,1|2,0,0]=4 679 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,0,1|1,0,0]=3 680 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,0,1|2,0,0]=4 681 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,0,1|2,0,0]=4 682 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,0,1|2,0,0]=4 683 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,0,1|2,0,0]=4 684 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,0,1|2,0,0]=4 685 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,0,1|2,0,0]=4 686 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,0,1|2,0,0]=4 687 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,1|1,0,0]=3 688 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,1,0,0,0,1|2,0,0]=4 689 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,0,1|1,0,0]=3 690 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,0,1|1,0,0]=3 691 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,0,1|2,0,0]=4 692 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,0,1|2,0,0]=4 693 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,1,0,0,0,1|2,0,0]=4 694 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,1|2,0,0]=4 695 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,1,0,0,0,1|2,0,0]=4 696 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,0,1|2,0,0]=4 697 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,1,0,0,0,1|2,0,0]=4 698 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,0,1|2,0,0]=4 699 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,0,1|2,0,0]=4 700 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,0,1|2,0,0]=4 701 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,0,1|2,0,0]=4 702 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,0,1|2,0,0]=4 703 B10R1.23 CC(=C(C)c1cccs1)C 271570a_200000049429_100011215356 [0,1,0,0,0,1|2,0,0]=4 704 B10R1.23 CC(=C(C)c1ncc[nH]1)C 271570a_200000049429_100025796157 [0,1,0,0,0,1|2,0,0]=4 705 B10R1.23 CC(=C(C)c1ncco1)C 271570a_200000049429_100011787736 [0,1,0,0,0,1|1,1,0]=4 706 B10R1.23 CC(=C(C)c1nccs1)C 271570a_200000049429_100000211983 [0,1,0,0,0,1|1,0,0]=3 707 B10R1.23 CC(=C(C)c1ncns1)C 271570a_200000049429_100000693119 [0,1,0,0,0,1|2,0,0]=4 708 B10R1.23 CC(=C(C)c1nncs1)C 271570a_200000049429_100000739804 [0,1,0,0,0,1|2,0,0]=4 709 B10R1.23 CC(c1nccs1)N(C)C 2230a_103437849288_200000210301 [0,1,0,0,0,1|2,0,0]=4 710 B10R1.23 CC(c1nccs1)N(C)C 269982a_103437849288_200000210301 [0,1,0,0,0,1|2,0,0]=4 711 B10R1.23 CC(c1nccs1)N(C)[13CH3] 2230a_103437849288_200025704644 [0,1,0,0,0,1|2,0,0]=4 712 B10R1.23 CC(c1nccs1)N(C)[13CH3] 269982a_103437849288_200025704644 [0,1,0,0,0,1|2,0,0]=4 713 B10R1.27 C#CC(=O)Cc1ncco1 1458a_100000211873_103436540062 [0,1,0,0,0,1|0,1,1]=4 714 B10R1.27 C#CC(=O)Cc1nccs1 1458a_100000211873_100015184050 [0,1,0,0,0,1|0,0,1]=3 715 B10R1.27 C#CC(C)Sc1nccs1 62a_200000035995_100000211983 [0,1,0,0,0,1|1,0,1]=4 716 B10R1.27 C=CC(=O)Cc1ncco1 1458a_100000185746_103436540062 [0,1,0,0,0,1|0,1,1]=4 717 B10R1.27 C=CC(=O)Cc1nccs1 1458a_100000185746_100015184050 [0,1,0,0,0,1|0,0,1]=3 718 B10R1.27 C=CC(C)Sc1nccs1 62a_100011215867_100000211983 [0,1,0,0,0,1|1,0,1]=4 719 B10R1.27 CC(=Cc1nccs1)C#N 6a_100000750902_200000212204 [0,1,0,0,0,1|1,0,0]=3 720 B10R1.27 CC(C#N)Sc1nccs1 62a_100000211983_100000703298 [0,1,0,0,0,1|1,0,1]=4 721 B10R1.27 CC(C#N)Sc1nccs1 62a_100000703298_100000211983 [0,1,0,0,0,1|1,0,1]=4 722 B10R1.27 CC(CO)Sc1nccs1 62a_100012180447_100000211983 [0,1,0,0,0,1|0,0,2]=4 723 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100000210414_100000707719 [0,1,0,0,0,1|2,0,0]=4 724 B10R1.27 CCC(=O)Cc1c[nH]cn1 1458a_100015291406_100000210202 [0,1,0,0,0,1|2,0,0]=4 725 B10R1.27 CCC(=O)Cc1ccc[nH]1 1458a_100000238377_100000210202 [0,1,0,0,0,1|1,0,1]=4 726 B10R1.27 CCC(=O)Cc1ccco1 1458a_100011217309_100000210202 [0,1,0,0,0,1|1,1,0]=4 727 B10R1.27 CCC(=O)Cc1cccs1 1458a_100000210189_100000210202 [0,1,0,0,0,1|1,0,0]=3 728 B10R1.27 CCC(=O)Cc1ccon1 1458a_100000210414_100000234950 [0,1,0,0,0,1|2,0,0]=4 729 B10R1.27 CCC(=O)Cc1cncs1 1458a_100000210414_100015185245 [0,1,0,0,0,1|2,0,0]=4 730 B10R1.27 CCC(=O)Cc1cscn1 1458a_100000210414_100000205941 [0,1,0,0,0,1|2,0,0]=4 731 B10R1.27 CCC(=O)Cc1cscn1 1458a_100011438297_100000210202 [0,1,0,0,0,1|2,0,0]=4 732 B10R1.27 CCC(=O)Cc1ncco1 1458a_100000210414_103436540062 [0,1,0,0,0,1|0,1,0]=3 733 B10R1.27 CCC(=O)Cc1nccs1 1458a_100000210414_100015184050 [0,1,0,0,0,1|0,0,0]=2 734 B10R1.27 CCC(=O)Cn1cccn1 1458a_100000233772_100000210202 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.27 CCC(=O)Cn1nccn1 1458a_100000080817_100000210202 [0,1,0,0,0,1|2,0,0]=4 736 B10R1.27 CCC(C)Sc1nccs1 62a_100000211983_100000758301 [0,1,0,0,0,1|1,0,1]=4 737 B10R1.27 CCC(C)Sc1nccs1 62a_100000758301_100000211983 [0,1,0,0,0,1|1,0,1]=4 738 B10R1.27 CCN(C)Cc1nccs1 2230a_100000225621_100015184050 [0,1,0,0,0,1|2,0,0]=4 739 B10R1.27 CCN(C)Cc1nccs1 2230a_100000765864_100000210202 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.27 CCN(C)Cc1nccs1 269982a_100000225621_100015184050 [0,1,0,0,0,1|2,0,0]=4 741 B10R1.27 CCN(C)Cc1nccs1 269982a_100000765864_100000204670 [0,1,0,0,0,1|2,0,0]=4 742 B10R1.27 CN(CF)Cc1nccs1 269982a_100000765864_100015361967 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.27 CNC(=O)Cc1c[nH]cn1 240690a_100102657272_100015291406 [0,1,0,0,0,1|2,0,0]=4 744 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,1,0,0,0,1|1,0,1]=4 745 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,1,0,0,0,1|1,0,1]=4 746 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,1,0,0,0,1|1,0,1]=4 747 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,1,0,0,0,1|1,1,0]=4 748 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,1,0,0,0,1|1,1,0]=4 749 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,1,0,0,0,1|1,0,0]=3 750 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,1,0,0,0,1|1,0,0]=3 751 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,1,0,0,0,1|1,0,0]=3 752 B10R1.27 CNC(=O)Cc1cscn1 11a_106832991635_100011438297 [0,1,0,0,0,1|2,0,0]=4 753 B10R1.27 CNC(=O)Cc1cscn1 1626a_100102657272_100011438297 [0,1,0,0,0,1|2,0,0]=4 754 B10R1.27 CNC(=O)Cc1cscn1 240690a_100102657272_100011438297 [0,1,0,0,0,1|2,0,0]=4 755 B10R1.27 CNC(=O)Cc1cscn1 527a_100102657272_100011438297 [0,1,0,0,0,1|2,0,0]=4 756 B10R1.27 CNC(=O)Cn1cccn1 11a_106832991635_100000233772 [0,1,0,0,0,1|2,0,0]=4 757 B10R1.27 CNC(=O)Cn1cccn1 1626a_100102657272_100000233772 [0,1,0,0,0,1|2,0,0]=4 758 B10R1.27 CNC(=O)Cn1cccn1 240690a_100102657272_100000233772 [0,1,0,0,0,1|2,0,0]=4 759 B10R1.27 CNC(=O)Cn1cccn1 527a_100102657272_100000233772 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.27 CNC(=O)Cn1nccn1 11a_106832991635_100000080817 [0,1,0,0,0,1|2,0,0]=4 761 B10R1.27 CNC(=O)Cn1nccn1 1626a_100102657272_100000080817 [0,1,0,0,0,1|2,0,0]=4 762 B10R1.27 CNC(=O)Cn1nccn1 240690a_100102657272_100000080817 [0,1,0,0,0,1|2,0,0]=4 763 B10R1.27 CNC(=O)Cn1nccn1 527a_100102657272_100000080817 [0,1,0,0,0,1|2,0,0]=4 764 B10R1.27 COC(C)Sc1nccs1 62a_100000211983_100009879195 [0,1,0,0,0,1|0,0,2]=4 765 B10R1.27 COC(C)Sc1nccs1 62a_100009879195_100000211983 [0,1,0,0,0,1|0,0,2]=4 766 B10R1.27 C[C@H](CO)Sc1nccs1 62a_100000211983_100016084084 [0,1,0,0,0,1|0,0,2]=4 767 B10R1.27 C[C@H](CO)Sc1nccs1 62a_100016084084_100000211983 [0,1,0,0,0,1|0,0,2]=4 768 B10R1.27 N#CC(=Cc1nccs1)F 6a_100000750902_200000032654 [0,1,0,0,0,1|1,0,1]=4 769 B10R1.27 O=C(CF)Cc1c[nH]cn1 1458a_100015291406_100015361967 [0,1,0,0,0,1|2,0,0]=4 770 B10R1.27 O=C(CF)Cc1ccc[nH]1 1458a_100000238377_100015361967 [0,1,0,0,0,1|1,0,1]=4 771 B10R1.27 O=C(CF)Cc1ccco1 1458a_100011217309_100015361967 [0,1,0,0,0,1|1,1,0]=4 772 B10R1.27 O=C(CF)Cc1cccs1 1458a_100000210189_100015361967 [0,1,0,0,0,1|1,0,0]=3 773 B10R1.27 O=C(CF)Cc1cscn1 1458a_100011438297_100015361967 [0,1,0,0,0,1|2,0,0]=4 774 B10R1.27 O=C(CF)Cn1cccn1 1458a_100000233772_100015361967 [0,1,0,0,0,1|2,0,0]=4 775 B10R1.27 O=C(CF)Cn1nccn1 1458a_100000080817_100015361967 [0,1,0,0,0,1|2,0,0]=4 776 B10R1.27 O=C(CO)Cc1c[nH]cn1 1458a_100000210174_100000707719 [0,1,0,0,0,1|2,0,0]=4 777 B10R1.27 O=C(CO)Cc1ccon1 1458a_100000210174_100000234950 [0,1,0,0,0,1|2,0,0]=4 778 B10R1.27 O=C(CO)Cc1cncs1 1458a_100000210174_100015185245 [0,1,0,0,0,1|2,0,0]=4 779 B10R1.27 O=C(CO)Cc1cscn1 1458a_100000210174_100000205941 [0,1,0,0,0,1|2,0,0]=4 780 B10R1.27 O=C(CO)Cc1ncco1 1458a_100000210174_103436540062 [0,1,0,0,0,1|0,1,0]=3 781 B10R1.27 O=C(CO)Cc1nccs1 1458a_100000210174_100015184050 [0,1,0,0,0,1|0,0,0]=2 782 B10R1.54 CC(=Cc1cc(cs1)C)C 271570a_100102525489_100009876951 [0,1,0,0,0,1|2,0,0]=4 783 B10R1.54 CC(=Cc1ccc(s1)Br)C 271570a_100102525489_100010197418 [0,1,0,0,0,1|2,0,0]=4 784 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [0,1,0,0,0,1|2,0,0]=4 785 B10R1.54 CC(=Cc1nc(c[nH]1)C)C 271570a_100102525489_100161115468 [0,1,0,0,0,1|2,0,0]=4 786 B10R1.54 CC(=Cc1nc(cs1)Br)C 271570a_100102525489_200016082925 [0,1,0,0,0,1|1,0,0]=3 787 B10R1.54 CC(=Cc1nc(cs1)C)C 271570a_100102525489_100011291629 [0,1,0,0,0,1|1,0,0]=3 788 B10R1.54 CC(=Cc1nc(cs1)N)C 271570a_100102525489_200015188442 [0,1,0,0,0,1|1,0,0]=3 789 B10R1.54 CC(=Cc1nc(ns1)C)C 271570a_100102525489_100000709739 [0,1,0,0,0,1|2,0,0]=4 790 B10R1.54 CC(=Cc1ncc(s1)C)C 271570a_100102525489_100000690809 [0,1,0,0,0,1|1,0,0]=3 791 B10R1.54 CC(=Cc1nnc(s1)C)C 271570a_100102525489_100000686958 [0,1,0,0,0,1|2,0,0]=4 792 B10R1.54 CC(=Cc1nnc(s1)N)C 271570a_100102525489_100000738278 [0,1,0,0,0,1|2,0,0]=4 793 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100000070787_100000746031 [0,1,0,0,0,1|1,0,0]=3 794 B10R1.54 CC(=O)Cc1cc(cs1)Br 1458a_100011542370_200000210301 [0,1,0,0,0,1|1,0,0]=3 795 B10R1.54 CC(=O)Cc1cc(on1)C 1458a_100000070787_100000199038 [0,1,0,0,0,1|2,0,0]=4 796 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,1,0,0,0,1|1,0,0]=3 797 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,1,0,0,0,1|1,0,0]=3 798 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,1,0,0,0,1|1,0,0]=3 799 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,1,0,0,0,1|1,0,0]=3 800 B10R1.54 CC(=O)Cc1ccn(n1)C 1458a_100000070787_100000726502 [0,1,0,0,0,1|2,0,0]=4 801 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100000070787_100000717665 [0,1,0,0,0,1|2,0,0]=4 802 B10R1.54 CC(=O)Cc1cn(cn1)C 1458a_100011512828_200000210301 [0,1,0,0,0,1|2,0,0]=4 803 B10R1.54 CC(=O)Cc1cnc(s1)Br 1458a_100000070787_100000717027 [0,1,0,0,0,1|2,0,0]=4 804 B10R1.54 CC(=O)Cc1cnc(s1)C 1458a_100000070787_100020635045 [0,1,0,0,0,1|2,0,0]=4 805 B10R1.54 CC(=O)Cc1cnc(s1)Cl 1458a_100000070787_100000058068 [0,1,0,0,0,1|2,0,0]=4 806 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,1,0,0,0,1|2,0,0]=4 807 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,1,0,0,0,1|2,0,0]=4 808 B10R1.54 CC(=O)Cc1csc(n1)Cl 1458a_100000070787_100000024076 [0,1,0,0,0,1|2,0,0]=4 809 B10R1.54 CC(=O)Cc1n[nH]c(=O)[nH]1 1458a_100000070787_100000754189 [0,1,0,0,0,1|2,0,0]=4 810 B10R1.54 CC(=O)Cc1n[nH]c(n1)C 1458a_100011457670_200000210301 [0,1,0,0,0,1|2,0,0]=4 811 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100000070787_100000735555 [0,1,0,0,0,1|1,1,0]=4 812 B10R1.54 CC(=O)Cc1nc(no1)C 1458a_100011441805_200000210301 [0,1,0,0,0,1|1,1,0]=4 813 B10R1.54 CC(=O)Cc1ncn(n1)C 1458a_100000070787_100016995526 [0,1,0,0,0,1|2,0,0]=4 814 B10R1.54 CC(=O)Cc1nnc(o1)C 1458a_100000070787_100000181450 [0,1,0,0,0,1|1,1,0]=4 815 B10R1.54 CC(=O)Cc1nnc(s1)C 1458a_100000070787_100000688753 [0,1,0,0,0,1|1,0,0]=3 816 B10R1.54 CC(=O)Cc1noc(n1)C 1458a_100000070787_100000231061 [0,1,0,0,0,1|2,0,0]=4 817 B10R1.54 CC(=O)Cc1noc(n1)C 1458a_100000105485_200000210301 [0,1,0,0,0,1|2,0,0]=4 818 B10R1.54 CC(=O)Cc1noc(n1)C 270196a_100011229364_100000070787 [0,1,0,0,0,1|2,0,0]=4 819 B10R1.54 CC(=O)Cc1noc(n1)O 270196a_100011229364_100015183105 [0,1,0,0,0,1|2,0,0]=4 820 B10R1.54 CC(=O)Cc1nsc(n1)Cl 1458a_100000070787_100000043760 [0,1,0,0,0,1|2,0,0]=4 821 B10R1.54 CC(=O)Cn1cc(cn1)Br 1458a_100000238729_200000210301 [0,1,0,0,0,1|2,0,0]=4 822 B10R1.54 CC(=O)Cn1cc(cn1)C 1458a_100000743463_200000210301 [0,1,0,0,0,1|2,0,0]=4 823 B10R1.54 CC(=O)Cn1cc(cn1)Cl 1458a_100000759256_200000210301 [0,1,0,0,0,1|2,0,0]=4 824 B10R1.54 CC(=O)Cn1cc(cn1)I 1458a_100012072407_200000210301 [0,1,0,0,0,1|2,0,0]=4 825 B10R1.54 CC(=O)Cn1cc(cn1)O 271570a_203496583355_100000763327 [0,1,0,0,0,1|2,0,0]=4 826 B10R1.54 CC(=O)Cn1ccc(n1)C 1458a_100000238720_200000210301 [0,1,0,0,0,1|2,0,0]=4 827 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,1,0,0,0,1|1,0,0]=3 828 B10R1.54 CC(=O)Nc1ncc(s1)O 271570a_203496583355_100000050200 [0,1,0,0,0,1|0,0,0]=2 829 B10R1.54 CC(=O)Nc1nnc(s1)O 271570a_203496583355_200010004617 [0,1,0,0,0,1|1,0,0]=3 830 B10R1.54 CC(C)Oc1ncc(s1)O 271570a_203496583355_100010238083 [0,1,0,0,0,1|1,0,1]=4 831 B10R1.54 CC(C)Sc1nc(cs1)Br 62a_100000210206_200016082925 [0,1,0,0,0,1|1,0,1]=4 832 B10R1.54 CC(C)Sc1nc(cs1)Br 62a_200016082925_100000210206 [0,1,0,0,0,1|1,0,1]=4 833 B10R1.54 CC(C)Sc1nc(cs1)N 62a_100000210206_200015188442 [0,1,0,0,0,1|1,0,1]=4 834 B10R1.54 CC(C)Sc1nc(cs1)N 62a_200015188442_100000210206 [0,1,0,0,0,1|1,0,1]=4 835 B10R1.54 CN(C)Cc1nc(cs1)Br 270004a_100102631434_100009816814 [0,1,0,0,0,1|2,0,0]=4 836 B10R1.54 CN(C)Cc1ncc(s1)Br 270004a_100102631434_100000699580 [0,1,0,0,0,1|2,0,0]=4 837 B10R1.54 CN(C)Cc1ncc(s1)Cl 270004a_100102631434_100000699884 [0,1,0,0,0,1|2,0,0]=4 838 B10R1.54 Cc1ccn(n1)CC(=O)[13CH3] 1458a_100000238720_200025704644 [0,1,0,0,0,1|2,0,0]=4 839 B10R1.54 Cc1cnc(s1)CN(C)C 270004a_100102631434_100011361622 [0,1,0,0,0,1|2,0,0]=4 840 B10R1.54 Cc1cnc(s1)SC(C)C 62a_100000210206_100000690809 [0,1,0,0,0,1|1,0,1]=4 841 B10R1.54 Cc1cnc(s1)SC(C)C 62a_100000690809_100000210206 [0,1,0,0,0,1|1,0,1]=4 842 B10R1.54 Cc1cnn(c1)CC(=O)[13CH3] 1458a_100000743463_200025704644 [0,1,0,0,0,1|2,0,0]=4 843 B10R1.54 Cc1csc(n1)CN(C)C 2230a_100000757614_200000210301 [0,1,0,0,0,1|2,0,0]=4 844 B10R1.54 Cc1csc(n1)CN(C)C 269982a_100000757614_200000210301 [0,1,0,0,0,1|2,0,0]=4 845 B10R1.54 Cc1csc(n1)CN(C)C 270004a_100102631434_100000756994 [0,1,0,0,0,1|2,0,0]=4 846 B10R1.54 Cc1csc(n1)CN(C)[13CH3] 2230a_100000757614_200025704644 [0,1,0,0,0,1|2,0,0]=4 847 B10R1.54 Cc1csc(n1)CN(C)[13CH3] 269982a_100000757614_200025704644 [0,1,0,0,0,1|2,0,0]=4 848 B10R1.54 Cc1csc(n1)SC(C)C 62a_100000210206_100011291629 [0,1,0,0,0,1|1,0,1]=4 849 B10R1.54 Cc1csc(n1)SC(C)C 62a_100011291629_100000210206 [0,1,0,0,0,1|1,0,1]=4 850 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,1,0,0,0,1|2,0,0]=4 851 B10R1.54 Cc1nc(n[nH]1)CC(=O)[13CH3] 1458a_100011457670_200025704644 [0,1,0,0,0,1|2,0,0]=4 852 B10R1.54 Cc1nc(no1)CC(=O)[13CH3] 1458a_100000105485_200025704644 [0,1,0,0,0,1|2,0,0]=4 853 B10R1.54 Cc1noc(n1)CC(=O)[13CH3] 1458a_100011441805_200025704644 [0,1,0,0,0,1|1,1,0]=4 854 B10R1.54 Cn1cnc(c1)CC(=O)[13CH3] 1458a_100011512828_200025704644 [0,1,0,0,0,1|2,0,0]=4 855 B10R1.54 [13CH3]C(=O)Cc1cc(cs1)Br 1458a_100011542370_200025704644 [0,1,0,0,0,1|1,0,0]=3 856 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,1,0,0,0,1|1,0,0]=3 857 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,1,0,0,0,1|1,0,0]=3 858 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Br 1458a_100000238729_200025704644 [0,1,0,0,0,1|2,0,0]=4 859 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)Cl 1458a_100000759256_200025704644 [0,1,0,0,0,1|2,0,0]=4 860 B10R1.54 [13CH3]C(=O)Cn1cc(cn1)I 1458a_100012072407_200025704644 [0,1,0,0,0,1|2,0,0]=4 861 B10R1.64 CC(=Cc1nccn1C)C 271570a_100102525489_100000707724 [0,1,0,0,0,1|2,0,0]=4 862 B10R1.64 CC(=Cc1sccc1Br)C 271570a_100102525489_100012361411 [0,1,0,0,0,1|2,0,0]=4 863 B10R1.64 CC(=Cc1sccc1C)C 271570a_100102525489_100000742657 [0,1,0,0,0,1|2,0,0]=4 864 B10R1.64 CC(=O)Cc1nc[nH]c1C 1458a_100000070787_100000751220 [0,1,0,0,0,1|2,0,0]=4 865 B10R1.64 CC(=O)Cc1ncoc1C 1458a_100000070787_200000693990 [0,1,0,0,0,1|2,0,0]=4 866 B10R1.64 CC(=O)Cn1nccc1C 1458a_100000759144_200000210301 [0,1,0,0,0,1|2,0,0]=4 867 B10R1.64 Cc1ccnn1CC(=O)[13CH3] 1458a_100000759144_200025704644 [0,1,0,0,0,1|2,0,0]=4 868 B10R1.281 CC(C)(C)Sc1nccs1 62a_100000211941_100000211983 [0,1,0,0,0,1|1,0,1]=4 869 B10R1.281 CC(C)(C)Sc1nccs1 62a_100000211983_100000211941 [0,1,0,0,0,1|1,0,1]=4 870 B10R1.6 CC(C)(O[13CH3])c1nccs1 7a_200009882240_200025704644 [0,2,0,0,0,0|0,0,2]=4 871 B10R1.6 CNS(=O)(=O)c1cccs1 270084a_100102657272_100000205146 [0,2,0,0,0,0|2,0,0]=4 872 B10R1.6 CNS(=O)(=O)c1cccs1 274078a_100102657272_100000205146 [0,2,0,0,0,0|2,0,0]=4 873 B10R1.6 CNS(=O)(=O)c1cccs1 40a_100102657272_200000102146 [0,2,0,0,0,0|2,0,0]=4 874 B10R1.6 COC(C)(C)c1nccs1 7a_200009882240_200000210301 [0,2,0,0,0,0|0,0,2]=4 875 B10R1.9 CCC(NC)c1nccs1 2230a_103436540099_200000210301 [0,2,0,0,0,0|1,0,1]=4 876 B10R1.9 CCC(NC)c1nccs1 269862a_106832991636_100000031915 [0,2,0,0,0,0|1,0,1]=4 877 B10R1.9 CCC(N[13CH3])c1nccs1 2230a_103436540099_200025704644 [0,2,0,0,0,0|1,0,1]=4 878 B10R1.9 CN[C@@H](CO)c1nccs1 2230a_202495363701_200000210301 [0,2,0,0,0,0|0,0,2]=4 879 B10R1.9 [13CH3]N[C@@H](CO)c1nccs1 2230a_202495363701_200025704644 [0,2,0,0,0,0|0,0,2]=4 880 B10R1.11 CC(OCF)c1nccs1 7a_100000751044_100015361967 [0,2,0,0,0,0|0,0,2]=4 881 B10R1.11 CCNC(C)c1nccs1 2230a_100000725601_100000210202 [0,2,0,0,0,0|1,0,1]=4 882 B10R1.11 CCOC(C)c1nccs1 7a_100000751044_100000210202 [0,2,0,0,0,0|0,0,2]=4 883 B10R1.11 CNCC(=O)c1ccc[nH]1 7a_106832991635_200011262396 [0,2,0,0,0,0|1,0,1]=4 884 B10R1.11 CNCC(=O)c1ccco1 7a_106832991635_100000211439 [0,2,0,0,0,0|1,1,0]=4 885 B10R1.11 CNCC(=O)c1cccs1 2230a_106832991635_100000211436 [0,2,0,0,0,0|1,0,0]=3 886 B10R1.11 CNCC(=O)c1cccs1 7a_106832991635_100000211436 [0,2,0,0,0,0|1,0,0]=3 887 B10R1.11 CNCC(=O)c1nccs1 7a_106832991635_100000718653 [0,2,0,0,0,0|0,0,0]=2 888 B10R1.11 CNCC(=O)n1cccn1 2230a_106832991635_100000077511 [0,2,0,0,0,0|2,0,0]=4 889 B10R1.11 CNCC(=O)n1cccn1 7a_106832991635_100000077511 [0,2,0,0,0,0|2,0,0]=4 890 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200000210301_200011262396 [0,2,0,0,0,0|1,0,1]=4 891 B10R1.11 CSCC(=O)c1ccc[nH]1 62a_200011262396_200000210301 [0,2,0,0,0,0|1,0,1]=4 892 B10R1.11 CSCC(=O)c1ccco1 62a_100000211439_200000210301 [0,2,0,0,0,0|1,1,0]=4 893 B10R1.11 CSCC(=O)c1ccco1 62a_200000210301_100000211439 [0,2,0,0,0,0|1,1,0]=4 894 B10R1.11 CSCC(=O)c1cccs1 62a_100000211436_200000210301 [0,2,0,0,0,0|1,0,0]=3 895 B10R1.11 CSCC(=O)c1cccs1 62a_200000210301_100000211436 [0,2,0,0,0,0|1,0,0]=3 896 B10R1.11 CSCC(=O)c1nccs1 62a_100000718653_200000210301 [0,2,0,0,0,0|0,0,0]=2 897 B10R1.11 CSCC(=O)c1nccs1 62a_200000210301_100000718653 [0,2,0,0,0,0|0,0,0]=2 898 B10R1.11 CSCC(=O)n1cccn1 62a_100000077511_200000210301 [0,2,0,0,0,0|2,0,0]=4 899 B10R1.11 CSCC(=O)n1cccn1 62a_200000210301_100000077511 [0,2,0,0,0,0|2,0,0]=4 900 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200011262396_200025704644 [0,2,0,0,0,0|1,0,1]=4 901 B10R1.11 [13CH3]SCC(=O)c1ccc[nH]1 62a_200025704644_200011262396 [0,2,0,0,0,0|1,0,1]=4 902 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_100000211439_200025704644 [0,2,0,0,0,0|1,1,0]=4 903 B10R1.11 [13CH3]SCC(=O)c1ccco1 62a_200025704644_100000211439 [0,2,0,0,0,0|1,1,0]=4 904 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_100000211436_200025704644 [0,2,0,0,0,0|1,0,0]=3 905 B10R1.11 [13CH3]SCC(=O)c1cccs1 62a_200025704644_100000211436 [0,2,0,0,0,0|1,0,0]=3 906 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_100000718653_200025704644 [0,2,0,0,0,0|0,0,0]=2 907 B10R1.11 [13CH3]SCC(=O)c1nccs1 62a_200025704644_100000718653 [0,2,0,0,0,0|0,0,0]=2 908 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_100000077511_200025704644 [0,2,0,0,0,0|2,0,0]=4 909 B10R1.11 [13CH3]SCC(=O)n1cccn1 62a_200025704644_100000077511 [0,2,0,0,0,0|2,0,0]=4 910 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,2,0,0,0,0|1,0,0]=3 911 B10R1.14 CNC(=O)C1=NNC(=O)C1 240690a_100102657272_200000752725 [0,2,0,0,0,0|2,0,0]=4 912 B10R1.14 CNC(=O)C1=NNC(=O)C1 527a_100102657272_200000752725 [0,2,0,0,0,0|2,0,0]=4 913 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,2,0,0,0,0|1,1,0]=4 914 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,2,0,0,0,0|1,0,0]=3 915 B10R1.14 CNC(=O)c1csc(n1)O 271570a_203496583355_100010260535 [0,2,0,0,0,0|2,0,0]=4 916 B10R1.14 CNC(C)c1nc(cs1)C 2230a_100015185622_200000210301 [0,2,0,0,0,0|1,0,1]=4 917 B10R1.14 CNC(C)c1nc(cs1)C 269862a_106832991636_100011857357 [0,2,0,0,0,0|1,0,1]=4 918 B10R1.14 CNC(C)c1ncc(s1)C 269862a_106832991636_100011857370 [0,2,0,0,0,0|1,0,1]=4 919 B10R1.14 COC(=O)c1cc([nH]n1)O 271570a_203496583355_100010760819 [0,2,0,0,0,0|2,0,0]=4 920 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,2,0,0,0,0|1,1,0]=4 921 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,2,0,0,0,0|1,0,0]=3 922 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,2,0,0,0,0|1,0,1]=4 923 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,2,0,0,0,0|1,1,0]=4 924 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,2,0,0,0,0|1,0,0]=3 925 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,2,0,0,0,0|2,0,0]=4 926 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,2,0,0,0,0|2,0,0]=4 927 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,2,0,0,0,0|2,0,0]=4 928 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,2,0,0,0,0|0,0,0]=2 929 B10R1.14 COC(=O)c1nc(n[nH]1)O 271570a_203496583355_100010173354 [0,2,0,0,0,0|2,0,0]=4 930 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,2,0,0,0,0|0,0,0]=2 931 B10R1.14 Cc1csc(n1)C(C)N[13CH3] 2230a_100015185622_200025704644 [0,2,0,0,0,0|1,0,1]=4 932 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,2,0,0,0,0|2,0,0]=4 933 B10R1.149 COC(=O)c1[nH]ccc1O 271570a_203496583355_100102525103 [0,2,0,0,0,0|1,0,1]=4 934 B10R1.149 COC(=O)c1ncsc1O 271570a_203496583355_100009816836 [0,2,0,0,0,0|2,0,0]=4 935 B10R1.149 COC(=O)c1occc1O 271570a_203496583355_100012676306 [0,2,0,0,0,0|1,1,0]=4 936 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [0,2,0,0,0,0|1,0,0]=3 937 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [0,2,0,0,0,0|2,0,0]=4 938 B10R1.55 CC(C)(O)c1nc(cs1)O 271570a_203496583355_100011934576 [0,2,0,0,0,0|0,0,2]=4 939 B10R1.55 CC(C)(O)c1ncc(s1)O 271570a_203496583355_200010140768 [0,2,0,0,0,0|0,0,2]=4 940 B10R1.55 C[Si](C)(C)c1nc(cs1)O 271570a_203496583355_100009816575 [0,2,0,0,0,0|1,1,0]=4 941 B10R1.31 C=C(C)c1cc(cs1)C=O 271570a_100000694244_100000737087 [0,2,0,0,0,0|2,0,0]=4 942 B10R1.31 C=C(C)c1ccc(s1)C#N 271570a_100000694244_100000737243 [0,2,0,0,0,0|2,0,0]=4 943 B10R1.31 C=C(C)c1ccc(s1)C=O 271570a_100000694244_100000179771 [0,2,0,0,0,0|2,0,0]=4 944 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [0,2,0,0,0,0|2,0,0]=4 945 B10R1.31 C=C(C)c1ccc(s1)CN 271570a_100000694244_100000737305 [0,2,0,0,0,0|2,0,0]=4 946 B10R1.31 C=C(C)c1ccc(s1)CO 271570a_100000694244_100000246291 [0,2,0,0,0,0|2,0,0]=4 947 B10R1.31 C=C(C)c1nc(cs1)C#N 271570a_100000694244_100009819631 [0,2,0,0,0,0|1,0,0]=3 948 B10R1.31 C=C(C)c1nc(cs1)C=O 271570a_100000694244_100009816748 [0,2,0,0,0,0|1,0,0]=3 949 B10R1.31 C=C(C)c1nc(cs1)CO 271570a_100000694244_100009816749 [0,2,0,0,0,0|1,0,0]=3 950 B10R1.31 C=C(C)c1ncc(s1)C#N 271570a_100000694244_100009819632 [0,2,0,0,0,0|1,0,0]=3 951 B10R1.31 C=C(C)c1ncc(s1)C=O 271570a_100000694244_100009814069 [0,2,0,0,0,0|1,0,0]=3 952 B10R1.31 C=C(C)c1ncc(s1)CN 271570a_100000694244_100000726991 [0,2,0,0,0,0|1,0,0]=3 953 B10R1.31 C=C(C)c1ncc(s1)CO 271570a_100000694244_100009816753 [0,2,0,0,0,0|1,0,0]=3 954 B10R1.31 C=C(C)c1nnc(s1)NC 271570a_100000694244_200012111945 [0,2,0,0,0,0|2,0,0]=4 955 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [0,2,0,0,0,0|1,0,1]=4 956 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [0,2,0,0,0,0|1,1,0]=4 957 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [0,2,0,0,0,0|1,0,0]=3 958 B10R1.31 C=Cc1ccc(s1)C(=O)N 271570a_100011290941_100000162267 [0,2,0,0,0,0|2,0,0]=4 959 B10R1.31 C=Cc1cnc(s1)C(=O)C 271570a_100011290941_100000693680 [0,2,0,0,0,0|0,0,0]=2 960 B10R1.31 C=Cc1cnc(s1)N(C)C 271570a_100011290941_100012356744 [0,2,0,0,0,0|2,0,0]=4 961 B10R1.31 C=Cc1cnn(c1)C(=O)C 271570a_100011290941_100010205889 [0,2,0,0,0,0|2,0,0]=4 962 B10R1.31 C=Cc1csc(c1)C(=O)C 271570a_100011290941_100000718618 [0,2,0,0,0,0|1,0,0]=3 963 B10R1.31 C=Cc1csc(c1)C(=O)N 271570a_100011290941_100009812991 [0,2,0,0,0,0|2,0,0]=4 964 B10R1.31 C=Cc1csc(n1)C(=O)C 271570a_100011290941_100010231720 [0,2,0,0,0,0|0,0,0]=2 965 B10R1.31 C=Cc1csc(n1)C(C)C 271570a_100011290941_200011934575 [0,2,0,0,0,0|1,0,1]=4 966 B10R1.31 C=Cc1csc(n1)N(C)C 271570a_100011290941_100012356714 [0,2,0,0,0,0|2,0,0]=4 967 B10R1.31 C=Cc1ncc(s1)C(=O)C 271570a_100011290941_200010173910 [0,2,0,0,0,0|2,0,0]=4 968 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [0,2,0,0,0,0|1,0,0]=3 969 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [0,2,0,0,0,0|1,0,0]=3 970 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,2,0,0,0,0|1,0,1]=4 971 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,2,0,0,0,0|1,1,0]=4 972 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,2,0,0,0,0|1,0,0]=3 973 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,2,0,0,0,0|1,0,0]=3 974 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200010173910_200025704644 [0,2,0,0,0,0|2,0,0]=4 975 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_200010173910 [0,2,0,0,0,0|2,0,0]=4 976 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_100010231720_200025704644 [0,2,0,0,0,0|0,0,0]=2 977 B10R1.31 CC(=O)c1nc(cs1)S[13CH3] 62a_200025704644_100010231720 [0,2,0,0,0,0|0,0,0]=2 978 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_100000693680_200025704644 [0,2,0,0,0,0|0,0,0]=2 979 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100000693680 [0,2,0,0,0,0|0,0,0]=2 980 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_100010205889_200025704644 [0,2,0,0,0,0|2,0,0]=4 981 B10R1.31 CC(=O)n1cc(cn1)S[13CH3] 62a_200025704644_100010205889 [0,2,0,0,0,0|2,0,0]=4 982 B10R1.31 CC(C)c1nc(cs1)S[13CH3] 62a_200011934575_200025704644 [0,2,0,0,0,0|1,0,1]=4 983 B10R1.31 CC(C)c1nc(cs1)S[13CH3] 62a_200025704644_200011934575 [0,2,0,0,0,0|1,0,1]=4 984 B10R1.31 CN(C)c1nc(cs1)C#N 27a_100102631434_100009819631 [0,2,0,0,0,0|2,0,0]=4 985 B10R1.31 CN(C)c1nc(cs1)S[13CH3] 62a_100012356714_200025704644 [0,2,0,0,0,0|2,0,0]=4 986 B10R1.31 CN(C)c1nc(cs1)S[13CH3] 62a_200025704644_100012356714 [0,2,0,0,0,0|2,0,0]=4 987 B10R1.31 CN(C)c1ncc(s1)C#N 27a_100102631434_100009819632 [0,2,0,0,0,0|2,0,0]=4 988 B10R1.31 CN(C)c1ncc(s1)C=O 27a_100102631434_100009814069 [0,2,0,0,0,0|2,0,0]=4 989 B10R1.31 CN(C)c1ncc(s1)S[13CH3] 62a_100012356744_200025704644 [0,2,0,0,0,0|2,0,0]=4 990 B10R1.31 CN(C)c1ncc(s1)S[13CH3] 62a_200025704644_100012356744 [0,2,0,0,0,0|2,0,0]=4 991 B10R1.31 CNc1csc(n1)C(C)C 27a_100102657272_200011934575 [0,2,0,0,0,0|1,0,1]=4 992 B10R1.31 CNc1ncc(s1)C(=O)C 27a_100102657272_200010173910 [0,2,0,0,0,0|2,0,0]=4 993 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,2,0,0,0,0|1,0,1]=4 994 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,2,0,0,0,0|1,1,0]=4 995 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,2,0,0,0,0|1,0,0]=3 996 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,2,0,0,0,0|1,0,0]=3 997 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,2,0,0,0,0|2,0,0]=4 998 B10R1.31 CSc1cnc(s1)C(=O)C 62a_100000693680_200000210301 [0,2,0,0,0,0|0,0,0]=2 999 B10R1.31 CSc1cnc(s1)C(=O)C 62a_200000210301_100000693680 [0,2,0,0,0,0|0,0,0]=2 1000 B10R1.31 CSc1cnc(s1)N(C)C 62a_100012356744_200000210301 [0,2,0,0,0,0|2,0,0]=4 1001 B10R1.31 CSc1cnc(s1)N(C)C 62a_200000210301_100012356744 [0,2,0,0,0,0|2,0,0]=4 1002 B10R1.31 CSc1cnn(c1)C(=O)C 62a_100010205889_200000210301 [0,2,0,0,0,0|2,0,0]=4 1003 B10R1.31 CSc1cnn(c1)C(=O)C 62a_200000210301_100010205889 [0,2,0,0,0,0|2,0,0]=4 1004 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [0,2,0,0,0,0|1,0,0]=3 1005 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [0,2,0,0,0,0|1,0,0]=3 1006 B10R1.31 CSc1csc(c1)C(=O)N 62a_100009812991_200000210301 [0,2,0,0,0,0|2,0,0]=4 1007 B10R1.31 CSc1csc(c1)C(=O)N 62a_200000210301_100009812991 [0,2,0,0,0,0|2,0,0]=4 1008 B10R1.31 CSc1csc(n1)C(=O)C 62a_100010231720_200000210301 [0,2,0,0,0,0|0,0,0]=2 1009 B10R1.31 CSc1csc(n1)C(=O)C 62a_200000210301_100010231720 [0,2,0,0,0,0|0,0,0]=2 1010 B10R1.31 CSc1csc(n1)C(C)C 62a_200000210301_200011934575 [0,2,0,0,0,0|1,0,1]=4 1011 B10R1.31 CSc1csc(n1)C(C)C 62a_200011934575_200000210301 [0,2,0,0,0,0|1,0,1]=4 1012 B10R1.31 CSc1csc(n1)N(C)C 62a_100012356714_200000210301 [0,2,0,0,0,0|2,0,0]=4 1013 B10R1.31 CSc1csc(n1)N(C)C 62a_200000210301_100012356714 [0,2,0,0,0,0|2,0,0]=4 1014 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200000210301_200010173910 [0,2,0,0,0,0|2,0,0]=4 1015 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200010173910_200000210301 [0,2,0,0,0,0|2,0,0]=4 1016 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,2,0,0,0,0|2,0,0]=4 1017 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_100009812991_200025704644 [0,2,0,0,0,0|2,0,0]=4 1018 B10R1.31 [13CH3]Sc1csc(c1)C(=O)N 62a_200025704644_100009812991 [0,2,0,0,0,0|2,0,0]=4 1019 B10R1.58 C=C(C)c1cc(c(s1)C)C 271570a_100000694244_100009850898 [0,2,0,0,0,0|2,0,0]=4 1020 B10R1.58 C=C(C)c1nc(c(s1)C)C 271570a_100000694244_100000765934 [0,2,0,0,0,0|1,0,0]=3 1021 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,2,0,0,0,0|1,0,0]=3 1022 B10R1.58 Cc1nc(sc1C)N(C)C 27a_100102631434_100000765934 [0,2,0,0,0,0|2,0,0]=4 1023 B10R1.59 C=C(C)c1nc(cn1C)C 271570a_100000694244_100009816808 [0,2,0,0,0,0|2,0,0]=4 1024 B10R1.59 C=C(C)c1sc(cc1C)C 271570a_100000694244_100000689295 [0,2,0,0,0,0|2,0,0]=4 1025 B10R1.59 CC(=O)c1sc(nc1C)O 271570a_203496583355_100010106820 [0,2,0,0,0,0|2,0,0]=4 1026 B10R1.194 C=C(C)c1ncc(n1C)C 271570a_100000694244_100009816807 [0,2,0,0,0,0|2,0,0]=4 1027 B10R1.194 NC(=O)c1scc(c1N)O 271570a_203496583355_100010220608 [0,2,0,0,0,0|2,0,0]=4 1028 B10R1.39 C=C(C)c1nccn1CC 271570a_100000694244_100011617267 [0,2,0,0,0,0|2,0,0]=4 1029 B10R1.39 C=C(C)c1sccc1C#N 271570a_100000694244_100009817073 [0,2,0,0,0,0|2,0,0]=4 1030 B10R1.39 C=C(C)c1sccc1C=O 271570a_100000694244_100009816921 [0,2,0,0,0,0|2,0,0]=4 1031 B10R1.39 C=C(C)c1sccc1CC 271570a_100000694244_200009875468 [0,2,0,0,0,0|2,0,0]=4 1032 B10R1.39 C=C(C)c1sccc1CN 271570a_100000694244_100000727803 [0,2,0,0,0,0|2,0,0]=4 1033 B10R1.39 C=C(C)c1sccc1CO 271570a_100000694244_100009816922 [0,2,0,0,0,0|2,0,0]=4 1034 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,2,0,0,0,0|1,0,0]=3 1035 B10R1.39 C=Cc1ncsc1C(=O)C 271570a_100011290941_200010339033 [0,2,0,0,0,0|2,0,0]=4 1036 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,2,0,0,0,0|1,0,0]=3 1037 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200010339033_200025704644 [0,2,0,0,0,0|2,0,0]=4 1038 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200025704644_200010339033 [0,2,0,0,0,0|2,0,0]=4 1039 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,2,0,0,0,0|1,0,0]=3 1040 B10R1.39 CSc1ncsc1C(=O)C 62a_200000210301_200010339033 [0,2,0,0,0,0|2,0,0]=4 1041 B10R1.39 CSc1ncsc1C(=O)C 62a_200010339033_200000210301 [0,2,0,0,0,0|2,0,0]=4 1042 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [0,0,1,1,0,0|1,1,0]=4 1043 B8R1.4 Cc1cncc(n1)O 271570a_203496583355_100009842155 [0,0,1,1,0,0|1,1,0]=4 1044 B8R1.5 Cc1cccnc1O 271570a_203496583355_100000751373 [0,0,1,1,0,0|1,1,0]=4 1045 B8R1.5 Cc1nccnc1O 271570a_203496583355_100011999405 [0,0,1,1,0,0|1,1,0]=4 1046 B8R1.5 O=c1[nH]ccnc1O 271570a_203496583355_100000763361 [0,0,1,1,0,0|1,1,0]=4 1047 B10R2.193 c1csc(n1)SC2CC2 62a_100000211983_100000211595 [0,0,0,1,0,1|1,0,1]=4 1048 B10R2.14 Brc1csc(n1)C2CC2 271570a_100011220607_200016082925 [0,1,0,1,0,0|1,0,1]=4 1049 B10R2.14 Cc1cnc(s1)C2CC2 271570a_100011220607_100000690809 [0,1,0,1,0,0|1,0,1]=4 1050 B10R2.14 Cc1csc(n1)C2CC2 271570a_100011220607_100011291629 [0,1,0,1,0,0|1,0,1]=4 1051 B10R2.14 Nc1csc(n1)C2CC2 271570a_100011220607_200015188442 [0,1,0,1,0,0|1,0,1]=4 1052 B10R2.14 Oc1cnc(s1)C2CC2 271570a_203496583355_100012360360 [0,1,0,1,0,0|1,0,1]=4 1053 B10R2.14 Oc1csc(n1)C2CC2 271570a_203496583355_100012360350 [0,1,0,1,0,0|1,0,1]=4 1054 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [1,0,0,0,0,1|1,0,1]=4 1055 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [1,0,0,0,0,1|1,0,1]=4 1056 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [1,0,0,0,0,1|1,0,1]=4 1057 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [1,0,0,0,0,1|1,0,1]=4 1058 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [1,0,0,0,0,1|1,0,1]=4 1059 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [1,0,0,0,0,1|1,0,1]=4 1060 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [1,0,0,0,0,1|2,0,0]=4 1061 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [1,0,0,0,0,1|2,0,0]=4 1062 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [1,0,0,0,0,1|2,0,0]=4 1063 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [1,0,0,0,0,1|2,0,0]=4 1064 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [1,0,0,0,0,1|2,0,0]=4 1065 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [1,0,0,0,0,1|2,0,0]=4 1066 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [1,0,0,0,0,1|2,0,0]=4 1067 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [1,0,0,0,0,1|2,0,0]=4 1068 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [1,0,0,0,0,1|2,0,0]=4 1069 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [1,0,0,0,0,1|2,0,0]=4 1070 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [1,0,0,0,0,1|2,0,0]=4 1071 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [1,0,0,0,0,1|2,0,0]=4 1072 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [1,0,0,0,0,1|2,0,0]=4 1073 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [1,0,0,0,0,1|2,0,0]=4 1074 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [1,0,0,0,0,1|2,0,0]=4 1075 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [1,0,0,0,0,1|2,0,0]=4 1076 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [1,0,0,0,0,1|2,0,0]=4 1077 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [1,0,0,0,0,1|2,0,0]=4 1078 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [1,0,0,0,0,1|2,0,0]=4 1079 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [1,0,0,0,0,1|2,0,0]=4 1080 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [1,0,0,0,0,1|2,0,0]=4 1081 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [1,0,0,0,0,1|2,0,0]=4 1082 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [1,0,0,0,0,1|2,0,0]=4 1083 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [1,0,0,0,0,1|2,0,0]=4 1084 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [1,0,0,0,0,1|2,0,0]=4 1085 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [1,0,0,0,0,1|2,0,0]=4 1086 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [1,0,0,0,0,1|2,0,0]=4 1087 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [1,0,0,0,0,1|2,0,0]=4 1088 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [1,0,0,0,0,1|2,0,0]=4 1089 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [1,0,0,0,0,1|2,0,0]=4 1090 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [1,0,0,0,0,1|2,0,0]=4 1091 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [1,0,0,0,0,1|2,0,0]=4 1092 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,2|2,0,0]=4 1093 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,0,2|2,0,0]=4 1094 B10R1.18 CC(=Cc1cccnn1)C 271570a_100102525489_100016991348 [0,0,0,0,0,2|2,0,0]=4 1095 B10R1.18 CC(=Cc1ccncn1)C 271570a_100102525489_100000703185 [0,0,0,0,0,2|2,0,0]=4 1096 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [0,0,0,0,0,2|2,0,0]=4 1097 B10R1.18 CC(=Cc1ncccn1)C 271570a_100102525489_100000211032 [0,0,0,0,0,2|2,0,0]=4 1098 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,2|2,0,0]=4 1099 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,2|1,0,0]=3 1100 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,2|1,0,0]=3 1101 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,2|1,0,0]=3 1102 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,2|1,0,0]=3 1103 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,2|1,0,0]=3 1104 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,2|2,0,0]=4 1105 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,2|1,0,0]=3 1106 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,2|2,0,0]=4 1107 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,2|2,0,0]=4 1108 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,2|1,0,0]=3 1109 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,2|2,0,0]=4 1110 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,2|2,0,0]=4 1111 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,2|2,0,0]=4 1112 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,2|2,0,0]=4 1113 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,2|1,0,0]=3 1114 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,2|1,0,0]=3 1115 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,2|2,0,0]=4 1116 B10R1.66 C=C(C)CNc1ncns1 27a_100000765925_100000693119 [0,0,0,0,0,2|2,0,0]=4 1117 B10R1.66 C=C(C)CNc1nncs1 27a_100000765925_100000739804 [0,0,0,0,0,2|2,0,0]=4 1118 B10R1.66 C=C(C)CSc1cccs1 62a_100000748629_100011215356 [0,0,0,0,0,2|2,0,0]=4 1119 B10R1.66 C=C(C)CSc1cccs1 62a_100011215356_100000211660 [0,0,0,0,0,2|2,0,0]=4 1120 B10R1.66 C=C(C)CSc1ncc[nH]1 62a_100000748629_100025796157 [0,0,0,0,0,2|2,0,0]=4 1121 B10R1.66 C=C(C)CSc1ncc[nH]1 62a_100025796157_100000211660 [0,0,0,0,0,2|2,0,0]=4 1122 B10R1.66 C=C(C)CSc1ncco1 62a_100000748629_100011787736 [0,0,0,0,0,2|1,1,0]=4 1123 B10R1.66 C=C(C)CSc1ncco1 62a_100011787736_100000211660 [0,0,0,0,0,2|1,1,0]=4 1124 B10R1.66 C=C(C)CSc1nccs1 62a_100000211983_100000211660 [0,0,0,0,0,2|1,0,0]=3 1125 B10R1.66 C=C(C)CSc1nccs1 62a_100000748629_100000211983 [0,0,0,0,0,2|1,0,0]=3 1126 B10R1.66 C=C(C)CSc1ncns1 62a_100000693119_100000211660 [0,0,0,0,0,2|2,0,0]=4 1127 B10R1.66 C=C(C)CSc1ncns1 62a_100000748629_100000693119 [0,0,0,0,0,2|2,0,0]=4 1128 B10R1.66 C=C(C)CSc1nncs1 62a_100000739804_100000211660 [0,0,0,0,0,2|2,0,0]=4 1129 B10R1.66 C=C(C)CSc1nncs1 62a_100000748629_100000739804 [0,0,0,0,0,2|2,0,0]=4 1130 B10R1.66 C=C(F)CSc1nccs1 62a_100000042424_100000211983 [0,0,0,0,0,2|1,0,1]=4 1131 B10R1.66 C=C(F)CSc1nccs1 62a_100000211983_100000042424 [0,0,0,0,0,2|1,0,1]=4 1132 B10R1.66 CC(=O)C=Cc1c[nH]cn1 1458a_100102678534_200000210301 [0,0,0,0,0,2|2,0,0]=4 1133 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,0,0,2|1,0,0]=3 1134 B10R1.66 CC(=O)C=Cc1cscn1 1458a_200000747928_200000210301 [0,0,0,0,0,2|2,0,0]=4 1135 B10R1.66 CC(=O)C=Cc1nccs1 1458a_100102558208_200000210301 [0,0,0,0,0,2|0,0,0]=2 1136 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,0,0,2|2,0,0]=4 1137 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,0,0,2|1,0,1]=4 1138 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,0,0,2|1,1,0]=4 1139 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,0,0,2|1,0,0]=3 1140 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,0,0,2|1,0,0]=3 1141 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,0,0,0,0,2|2,0,0]=4 1142 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,0,0,2|1,0,0]=3 1143 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,0,0,2|0,0,0]=2 1144 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,0,0,2|2,0,0]=4 1145 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,0,0,2|2,0,0]=4 1146 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,0,0,2|2,0,0]=4 1147 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,0,0,2|2,0,0]=4 1148 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,0,0,2|2,0,0]=4 1149 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,0,0,0,0,2|2,0,0]=4 1150 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,0,0,0,0,2|2,0,0]=4 1151 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,0,0,0,0,2|2,0,0]=4 1152 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,0,0,2|1,0,1]=4 1153 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,0,0,2|1,0,1]=4 1154 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,0,0,2|1,0,1]=4 1155 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,0,0,2|1,1,0]=4 1156 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,0,0,2|1,1,0]=4 1157 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,0,0,2|1,1,0]=4 1158 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,0,0,2|1,1,0]=4 1159 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,0,0,2|1,0,0]=3 1160 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,0,0,2|1,0,0]=3 1161 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,0,0,2|1,0,0]=3 1162 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,0,0,2|1,0,0]=3 1163 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,0,0,0,0,2|2,0,0]=4 1164 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,0,0,0,0,2|2,0,0]=4 1165 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,0,0,0,0,2|2,0,0]=4 1166 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,0,0,0,0,2|2,0,0]=4 1167 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,0,0,0,0,2|2,0,0]=4 1168 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,0,0,0,0,2|2,0,0]=4 1169 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,0,0,2|2,0,0]=4 1170 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,0,0,2|2,0,0]=4 1171 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,0,0,2|2,0,0]=4 1172 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,0,0,2|2,0,0]=4 1173 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,0,0,2|2,0,0]=4 1174 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,0,0,2|2,0,0]=4 1175 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,0,0,2|2,0,0]=4 1176 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,0,0,0,0,2|1,0,0]=3 1177 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,0,0,0,0,2|1,0,0]=3 1178 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,0,0,0,0,2|1,0,0]=3 1179 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,0,0,0,0,2|0,1,0]=3 1180 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,0,0,0,0,2|0,1,0]=3 1181 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,0,0,0,0,2|0,1,0]=3 1182 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,0,0,0,0,2|0,1,0]=3 1183 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,0,0,2|0,0,0]=2 1184 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,0,0,2|0,0,0]=2 1185 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,0,0,2|0,0,0]=2 1186 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,0,0,2|0,0,0]=2 1187 B10R1.66 CC(=O)NCc1nnc[nH]1 11a_200015183720_100015343762 [0,0,0,0,0,2|2,0,0]=4 1188 B10R1.66 CC(=O)NCc1nnc[nH]1 240690a_200015183720_100015343762 [0,0,0,0,0,2|2,0,0]=4 1189 B10R1.66 CC(=O)NCc1nnc[nH]1 527a_200015183720_100103153847 [0,0,0,0,0,2|2,0,0]=4 1190 B10R1.66 CC(=O)NN=C1CC=CC1 4a_100000189765_100000766571 [0,0,0,0,0,2|2,0,0]=4 1191 B10R1.66 CC(=O)NNc1nccs1 22a_100011198208_100000070787 [0,0,0,0,0,2|0,0,0]=2 1192 B10R1.66 CC(C)C=Cc1nccs1 271570a_100016257149_100000211983 [0,0,0,0,0,2|1,0,1]=4 1193 B10R1.66 CC(C)CSc1nccs1 62a_100000210624_100000211983 [0,0,0,0,0,2|1,0,1]=4 1194 B10R1.66 CC(C)CSc1nccs1 62a_100000211983_100000210760 [0,0,0,0,0,2|1,0,1]=4 1195 B10R1.66 CC(C)NCc1nccs1 207a_100138425928_100000750902 [0,0,0,0,0,2|1,0,1]=4 1196 B10R1.66 CC(C)NCc1nccs1 2230a_100000740555_100000210206 [0,0,0,0,0,2|1,0,1]=4 1197 B10R1.66 CC(C)NCc1nccs1 2230a_100138425928_100015184050 [0,0,0,0,0,2|1,0,1]=4 1198 B10R1.66 CC(C)NCc1nccs1 34a_100138425928_100015184050 [0,0,0,0,0,2|1,0,1]=4 1199 B10R1.66 CC(C)OCc1nccs1 34a_100000212225_100015184050 [0,0,0,0,0,2|1,0,1]=4 1200 B10R1.66 CC(C)SCc1nccs1 62a_100000210206_100015184050 [0,0,0,0,0,2|1,0,1]=4 1201 B10R1.66 CC(C)SCc1nccs1 62a_100015184050_100000210206 [0,0,0,0,0,2|1,0,1]=4 1202 B10R1.66 CC(O)C=Cc1nccs1 271570a_200011019289_100000211983 [0,0,0,0,0,2|0,0,2]=4 1203 B10R1.66 CC(O)CSc1nccs1 62a_100000211983_100011218427 [0,0,0,0,0,2|0,0,2]=4 1204 B10R1.66 CC(O)CSc1nccs1 62a_100011218427_100000211983 [0,0,0,0,0,2|0,0,2]=4 1205 B10R1.66 C[C@@H](O)CSc1nccs1 62a_100000211983_100009817552 [0,0,0,0,0,2|0,0,2]=4 1206 B10R1.66 C[C@@H](O)CSc1nccs1 62a_100009817552_100000211983 [0,0,0,0,0,2|0,0,2]=4 1207 B10R1.66 NC(=O)CSc1cccs1 62a_100000747473_100011215356 [0,0,0,0,0,2|2,0,0]=4 1208 B10R1.66 NC(=O)CSc1cccs1 62a_100011215356_100000747473 [0,0,0,0,0,2|2,0,0]=4 1209 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100000747473_100025796157 [0,0,0,0,0,2|2,0,0]=4 1210 B10R1.66 NC(=O)CSc1ncc[nH]1 62a_100025796157_100000747473 [0,0,0,0,0,2|2,0,0]=4 1211 B10R1.66 NC(=O)CSc1ncco1 62a_100000747473_100011787736 [0,0,0,0,0,2|1,1,0]=4 1212 B10R1.66 NC(=O)CSc1ncco1 62a_100011787736_100000747473 [0,0,0,0,0,2|1,1,0]=4 1213 B10R1.66 NC(=O)CSc1nccs1 62a_100000211983_100000747473 [0,0,0,0,0,2|1,0,0]=3 1214 B10R1.66 NC(=O)CSc1nccs1 62a_100000747473_100000211983 [0,0,0,0,0,2|1,0,0]=3 1215 B10R1.66 NC(=O)CSc1ncns1 62a_100000693119_100000747473 [0,0,0,0,0,2|2,0,0]=4 1216 B10R1.66 NC(=O)CSc1ncns1 62a_100000747473_100000693119 [0,0,0,0,0,2|2,0,0]=4 1217 B10R1.66 NC(=O)CSc1nncs1 62a_100000739804_100000747473 [0,0,0,0,0,2|2,0,0]=4 1218 B10R1.66 NC(=O)CSc1nncs1 62a_100000747473_100000739804 [0,0,0,0,0,2|2,0,0]=4 1219 B10R1.66 O=C([O-])CSc1cccs1 62a_100011215356_100020667443 [0,0,0,0,0,2|2,0,0]=4 1220 B10R1.66 O=C([O-])CSc1cccs1 62a_100020667443_100011215356 [0,0,0,0,0,2|2,0,0]=4 1221 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100020667443_100025796157 [0,0,0,0,0,2|2,0,0]=4 1222 B10R1.66 O=C([O-])CSc1ncc[nH]1 62a_100025796157_100020667443 [0,0,0,0,0,2|2,0,0]=4 1223 B10R1.66 O=C([O-])CSc1ncco1 62a_100011787736_100020667443 [0,0,0,0,0,2|1,1,0]=4 1224 B10R1.66 O=C([O-])CSc1ncco1 62a_100020667443_100011787736 [0,0,0,0,0,2|1,1,0]=4 1225 B10R1.66 O=C([O-])CSc1nccs1 62a_100000211983_100020667443 [0,0,0,0,0,2|1,0,0]=3 1226 B10R1.66 O=C([O-])CSc1nccs1 62a_100020667443_100000211983 [0,0,0,0,0,2|1,0,0]=3 1227 B10R1.66 O=C([O-])CSc1ncns1 62a_100000693119_100020667443 [0,0,0,0,0,2|2,0,0]=4 1228 B10R1.66 O=C([O-])CSc1ncns1 62a_100020667443_100000693119 [0,0,0,0,0,2|2,0,0]=4 1229 B10R1.66 O=C([O-])CSc1nncs1 62a_100000739804_100020667443 [0,0,0,0,0,2|2,0,0]=4 1230 B10R1.66 O=C([O-])CSc1nncs1 62a_100020667443_100000739804 [0,0,0,0,0,2|2,0,0]=4 1231 B10R1.66 O=[N+]([O-])CSc1nccs1 62a_100000211983_100000761209 [0,0,0,0,0,2|2,0,0]=4 1232 B10R1.66 [13CH3]C(=O)C=Cc1c[nH]cn1 1458a_100102678534_200025704644 [0,0,0,0,0,2|2,0,0]=4 1233 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,0,0,2|1,0,0]=3 1234 B10R1.66 [13CH3]C(=O)C=Cc1cscn1 1458a_200000747928_200025704644 [0,0,0,0,0,2|2,0,0]=4 1235 B10R1.66 [13CH3]C(=O)C=Cc1nccs1 1458a_100102558208_200025704644 [0,0,0,0,0,2|0,0,0]=2 1236 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,0,0,2|1,0,1]=4 1237 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,0,0,2|1,1,0]=4 1238 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,0,0,2|1,0,0]=3 1239 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,0,0,0,0,2|2,0,0]=4 1240 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,0,0,2|1,0,0]=3 1241 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,0,0,2|0,0,0]=2 1242 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,0,0,2|2,0,0]=4