0 B8R1.1 C=Cc1c[nH]c(n1)C 271570a_100011290941_100009814057 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 C=Cc1cc(cs1)C 271570a_100011290941_100009876951 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [0,0,0,0,0,0|2,1,1]=4 3 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [0,0,0,0,0,0|1,1,1]=3 4 B8R1.1 C=Cc1ccn(n1)C 271570a_100011290941_100000752436 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 C=Cc1cnc(s1)C 271570a_100011290941_100000764884 [0,0,0,0,0,0|2,1,1]=4 6 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.1 C=Cc1csc(n1)C 271570a_100011290941_100011934587 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.1 C=Cc1nc(c[nH]1)C 271570a_100011290941_100161115468 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.1 C=Cc1nc(cs1)C 271570a_100011290941_100011291629 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [0,0,0,0,0,0|2,1,1]=4 11 B8R1.1 C=Cc1nnc(o1)C 271570a_100011290941_100000708914 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [0,0,0,0,0,0|2,1,0]=3 14 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.1 CCn1ccc(n1)O 271570a_203496583355_100012350556 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CNc1nnc(o1)C 27a_100102657272_100000708914 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CSc1c[nH]c(n1)C 62a_100009814057_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.1 CSc1c[nH]c(n1)C 62a_200000210301_100009814057 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [0,0,0,0,0,0|3,1,0]=4 24 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [0,0,0,0,0,0|3,1,0]=4 25 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [0,0,0,0,0,0|2,1,0]=3 26 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [0,0,0,0,0,0|2,1,0]=3 27 B8R1.1 CSc1ccn(n1)C 62a_100000752436_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 CSc1ccn(n1)C 62a_200000210301_100000752436 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [0,0,0,0,0,0|3,1,0]=4 30 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [0,0,0,0,0,0|3,1,0]=4 31 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.1 CSc1csc(n1)C 62a_100011934587_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.1 CSc1csc(n1)C 62a_200000210301_100011934587 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.1 CSc1nc(c[nH]1)C 62a_100161115468_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 CSc1nc(c[nH]1)C 62a_200000210301_100161115468 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.1 CSc1nc(cs1)C 62a_100011291629_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.1 CSc1nc(cs1)C 62a_200000210301_100011291629 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 CSc1ncc(s1)C 62a_100000690809_200000210301 [0,0,0,0,0,0|3,1,0]=4 40 B8R1.1 CSc1ncc(s1)C 62a_200000210301_100000690809 [0,0,0,0,0,0|3,1,0]=4 41 B8R1.1 CSc1nnc(o1)C 62a_200000210301_100000708914 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_100161115468_200025704644 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.1 Cc1c[nH]c(n1)S[13CH3] 62a_200025704644_100161115468 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [0,0,0,0,0,0|2,1,0]=3 47 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [0,0,0,0,0,0|2,1,0]=3 48 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_100000690809_200025704644 [0,0,0,0,0,0|3,1,0]=4 49 B8R1.1 Cc1cnc(s1)S[13CH3] 62a_200025704644_100000690809 [0,0,0,0,0,0|3,1,0]=4 50 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.1 Cc1csc(n1)S[13CH3] 62a_100011291629_200025704644 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.1 Cc1csc(n1)S[13CH3] 62a_200025704644_100011291629 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_100009814057_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B8R1.1 Cc1nc(c[nH]1)S[13CH3] 62a_200025704644_100009814057 [0,0,0,0,0,0|4,0,0]=4 56 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_100011934587_200025704644 [0,0,0,0,0,0|4,0,0]=4 57 B8R1.1 Cc1nc(cs1)S[13CH3] 62a_200025704644_100011934587 [0,0,0,0,0,0|4,0,0]=4 58 B8R1.1 Cc1nc(no1)CF 270196a_200000032654_100000070787 [0,0,0,0,0,0|4,0,0]=4 59 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [0,0,0,0,0,0|3,1,0]=4 60 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [0,0,0,0,0,0|3,1,0]=4 61 B8R1.1 Cc1nnc(o1)S[13CH3] 62a_200025704644_100000708914 [0,0,0,0,0,0|4,0,0]=4 62 B8R1.1 Cc1noc(n1)CO 270196a_100000212224_100000210174 [0,0,0,0,0,0|3,0,0]=3 63 B8R1.1 Cn1cc(nn1)CO 274090a_200000210301_100000210247 [0,0,0,0,0,0|4,0,0]=4 64 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [0,0,0,0,0,0|4,0,0]=4 65 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_100000752436_200025704644 [0,0,0,0,0,0|4,0,0]=4 66 B8R1.1 Cn1ccc(n1)S[13CH3] 62a_200025704644_100000752436 [0,0,0,0,0,0|4,0,0]=4 67 B8R1.1 N#Cc1ccc(o1)O 271570a_203496583355_100000764468 [0,0,0,0,0,0|2,0,1]=3 68 B8R1.1 N#Cc1ccc(s1)O 271570a_203496583355_100000737243 [0,0,0,0,0,0|2,1,1]=4 69 B8R1.1 NCc1ccc(o1)O 271570a_203496583355_100000708654 [0,0,0,0,0,0|2,0,0]=2 70 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [0,0,0,0,0,0|2,1,0]=3 71 B8R1.1 NCc1cnc(s1)O 271570a_203496583355_100000726991 [0,0,0,0,0,0|3,1,0]=4 72 B8R1.1 NCc1ncc(s1)O 271570a_203496583355_100016991807 [0,0,0,0,0,0|3,1,0]=4 73 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [0,0,0,0,0,0|1,0,2]=3 74 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [0,0,0,0,0,0|1,1,2]=4 75 B8R1.1 OCc1cc(cs1)O 271570a_203496583355_100000238369 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [0,0,0,0,0,0|1,0,0]=1 77 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [0,0,0,0,0,0|1,1,0]=2 78 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [0,0,0,0,0,0|2,1,0]=3 79 B8R1.1 OCc1csc(n1)O 271570a_203496583355_100009816749 [0,0,0,0,0,0|3,0,0]=3 80 B8R1.1 OCc1nc(cs1)O 271570a_203496583355_100012000107 [0,0,0,0,0,0|3,0,0]=3 81 B8R1.1 OCc1ncc(s1)O 271570a_203496583355_100000696694 [0,0,0,0,0,0|2,1,0]=3 82 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [0,0,0,0,0,0|3,1,0]=4 83 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [0,0,0,0,0,0|3,1,0]=4 84 B8R1.1 [13CH3]n1cc(nn1)CO 274090a_200025704644_100000210247 [0,0,0,0,0,0|4,0,0]=4 85 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,0,0|1,0,1]=3 86 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,0,0|1,1,1]=4 87 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,0,0,0,0,0|2,0,1]=4 88 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,0,0,0|2,0,1]=4 89 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,0,0|2,1,0]=4 92 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,0,0|2,1,0]=4 93 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,0,0|2,0,0]=3 99 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,0,0|2,1,0]=4 100 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,0,0|2,1,0]=4 101 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,0,0,0,0,0|3,0,0]=4 103 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,0,0,0,0,0|3,0,0]=4 104 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,0,0,0,0,0|3,0,0]=4 105 B7R1.2 Cc1c[nH]c(n1)O 271570a_203496583355_100161115468 [1,0,0,0,0,0|2,0,0]=3 106 B7R1.2 Cc1cc(cs1)O 271570a_203496583355_100000759034 [1,0,0,0,0,0|2,0,0]=3 107 B7R1.2 Cc1cc(n[nH]1)O 271570a_203496583355_100015199547 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.2 Cc1cc(sn1)O 271570a_203496583355_100009815735 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,0,0,0,0,0|0,1,0]=2 110 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [1,0,0,0,0,0|1,1,0]=3 111 B7R1.2 Cc1csc(c1)O 271570a_203496583355_100009876951 [1,0,0,0,0,0|2,0,0]=3 112 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [1,0,0,0,0,0|2,0,0]=3 113 B7R1.2 Cc1nc(c[nH]1)O 271570a_203496583355_100009814057 [1,0,0,0,0,0|2,0,0]=3 114 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [1,0,0,0,0,0|2,0,0]=3 115 B7R1.2 Cc1nc(n[nH]1)O 271570a_203496583355_100000732540 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [1,0,0,0,0,0|1,1,0]=3 118 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [1,0,0,0,0,0|2,0,0]=3 119 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [1,0,0,0,0,0|2,1,0]=4 120 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.2 Cc1noc(n1)O 270196a_100000212224_100015183105 [1,0,0,0,0,0|3,0,0]=4 122 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.2 Cn1cc(cn1)O 271570a_203496583355_100000748075 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,0,0,0,0,0|2,0,0]=3 125 B7R1.2 Cn1cnc(c1)O 271570a_203496583355_100000040308 [1,0,0,0,0,0|3,0,0]=4 126 B7R1.2 Cn1cnc(n1)O 271570a_203496583355_100009819955 [1,0,0,0,0,0|3,0,0]=4 127 B7R1.2 Cn1ncc(n1)O 271570a_203496583355_100000733932 [1,0,0,0,0,0|3,0,0]=4 128 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [1,0,0,0,0,0|3,0,0]=4 130 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [1,0,0,0,0,0|1,1,0]=3 131 B7R1.2 Oc1nc(cs1)Br 271570a_203496583355_200016082925 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.7 C=C=Cc1ccc(s1)C 271570a_100015277604_100000761539 [0,1,0,0,0,0|1,1,1]=4 133 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,1,0,0,0,0|1,1,1]=4 134 B9R1.7 CCCc1ccc(s1)O 271570a_203496583355_100010157708 [0,1,0,0,0,0|2,1,0]=4 135 B9R1.7 CCNc1nnc(o1)C 27a_100015525214_100000708914 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.7 CCOc1ccn(n1)C 34a_100012642153_100000210202 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.7 CCSc1c[nH]c(n1)C 62a_100000210202_100009814057 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.7 CCSc1c[nH]c(n1)C 62a_100009814057_100000210202 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.7 CCSc1cc(cs1)C 62a_100000210202_100009876951 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.7 CCSc1cc(cs1)C 62a_100009876951_100000210202 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.7 CCSc1ccc(s1)Br 62a_100000210202_100010197418 [0,1,0,0,0,0|2,1,0]=4 142 B9R1.7 CCSc1ccc(s1)Br 62a_100010197418_100000210202 [0,1,0,0,0,0|2,1,0]=4 143 B9R1.7 CCSc1ccc(s1)C 62a_100000031368_100000210202 [0,1,0,0,0,0|1,1,0]=3 144 B9R1.7 CCSc1ccc(s1)C 62a_100000210202_100000031368 [0,1,0,0,0,0|1,1,0]=3 145 B9R1.7 CCSc1ccn(n1)C 62a_100000210202_100000752436 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.7 CCSc1ccn(n1)C 62a_100000752436_100000210202 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.7 CCSc1cnc(s1)C 62a_100000210202_100000764884 [0,1,0,0,0,0|2,1,0]=4 148 B9R1.7 CCSc1cnc(s1)C 62a_100000764884_100000210202 [0,1,0,0,0,0|2,1,0]=4 149 B9R1.7 CCSc1csc(c1)C 62a_100000210202_100000759034 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.7 CCSc1csc(c1)C 62a_100000759034_100000210202 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.7 CCSc1csc(n1)C 62a_100000210202_100011934587 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.7 CCSc1csc(n1)C 62a_100011934587_100000210202 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.7 CCSc1nc(c[nH]1)C 62a_100000210202_100161115468 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.7 CCSc1nc(c[nH]1)C 62a_100161115468_100000210202 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.7 CCSc1nc(cs1)C 62a_100000210202_100011291629 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.7 CCSc1nc(cs1)C 62a_100011291629_100000210202 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.7 CCSc1ncc(s1)C 62a_100000210202_100000690809 [0,1,0,0,0,0|2,1,0]=4 158 B9R1.7 CCSc1ncc(s1)C 62a_100000690809_100000210202 [0,1,0,0,0,0|2,1,0]=4 159 B9R1.7 CCSc1nnc(o1)C 62a_100000210202_100000708914 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.7 CNCc1c[nH]c(n1)C 207a_100102657272_100011219055 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.7 CNCc1cc(cs1)C 207a_100102657272_100102525248 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.7 CNCc1cc(cs1)C 2230a_100015204214_200000210301 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.7 CNCc1cc(cs1)C 270004a_106832991635_100102525248 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.7 CNCc1cc(cs1)C 34a_100015204214_200000210301 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.7 CNCc1ccc(o1)Br 207a_100102657272_100000185145 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.7 CNCc1ccc(o1)Br 270004a_106832991635_100000185145 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.7 CNCc1ccc(o1)Br 34a_100000708654_200000210301 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.7 CNCc1ccc(o1)C 207a_100102657272_100000183696 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.7 CNCc1ccc(o1)C 270004a_106832991635_100000183696 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.7 CNCc1ccc(o1)C 34a_100011194323_200000210301 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.7 CNCc1ccc(o1)Cl 207a_100102657272_100000188459 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.7 CNCc1ccc(o1)Cl 270004a_106832991635_100000188459 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.7 CNCc1ccc(o1)I 207a_100102657272_100000186757 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.7 CNCc1ccc(o1)O 271570a_203496583355_100000207588 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.7 CNCc1ccc(s1)Br 207a_100102657272_100000179771 [0,1,0,0,0,0|2,1,0]=4 176 B9R1.7 CNCc1ccc(s1)Br 2230a_106832991635_100000708592 [0,1,0,0,0,0|2,1,0]=4 177 B9R1.7 CNCc1ccc(s1)Br 270004a_106832991635_100000179771 [0,1,0,0,0,0|2,1,0]=4 178 B9R1.7 CNCc1ccc(s1)Br 34a_100102657272_100000708592 [0,1,0,0,0,0|2,1,0]=4 179 B9R1.7 CNCc1ccc(s1)Br 7a_106832991635_100000708592 [0,1,0,0,0,0|2,1,0]=4 180 B9R1.7 CNCc1ccc(s1)C 207a_100102657272_100000211121 [0,1,0,0,0,0|1,1,0]=3 181 B9R1.7 CNCc1ccc(s1)C 2230a_100000238518_200000210301 [0,1,0,0,0,0|1,1,0]=3 182 B9R1.7 CNCc1ccc(s1)C 270004a_106832991635_100000211121 [0,1,0,0,0,0|1,1,0]=3 183 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [0,1,0,0,0,0|2,1,0]=4 184 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [0,1,0,0,0,0|2,1,0]=4 185 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [0,1,0,0,0,0|2,1,0]=4 186 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [0,1,0,0,0,0|2,1,0]=4 187 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [0,1,0,0,0,0|2,1,0]=4 188 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [0,1,0,0,0,0|2,1,0]=4 189 B9R1.7 CNCc1ccn(n1)C 207a_100102657272_100000750880 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.7 CNCc1ccn(n1)C 2230a_100020636201_200000210301 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.7 CNCc1ccn(n1)C 2230a_106832991635_100000726502 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.7 CNCc1ccn(n1)C 270004a_106832991635_100000750880 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.7 CNCc1ccn(n1)C 34a_100020636201_200000210301 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.7 CNCc1ccn(n1)C 34a_100102657272_100000726502 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.7 CNCc1ccn(n1)C 7a_106832991635_100000726502 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.7 CNCc1cnc(o1)C 207a_100102657272_100000084308 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.7 CNCc1cnc(o1)C 270004a_106832991635_100000084308 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.7 CNCc1cnc(s1)C 207a_100102657272_100000740557 [0,1,0,0,0,0|2,1,0]=4 199 B9R1.7 CNCc1cnc(s1)C 2230a_106832991635_100020635045 [0,1,0,0,0,0|2,1,0]=4 200 B9R1.7 CNCc1cnc(s1)C 2230a_200000743601_200000210301 [0,1,0,0,0,0|2,1,0]=4 201 B9R1.7 CNCc1cnc(s1)C 270004a_106832991635_100000740557 [0,1,0,0,0,0|2,1,0]=4 202 B9R1.7 CNCc1cnc(s1)C 34a_100102657272_100020635045 [0,1,0,0,0,0|2,1,0]=4 203 B9R1.7 CNCc1cnc(s1)C 7a_106832991635_100020635045 [0,1,0,0,0,0|2,1,0]=4 204 B9R1.7 CNCc1coc(n1)C 207a_100102657272_100011361629 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.7 CNCc1coc(n1)C 270004a_106832991635_100011361629 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.7 CNCc1csc(c1)C 207a_100102657272_100011998532 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.7 CNCc1csc(c1)C 270004a_106832991635_100011998532 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.7 CNCc1csc(n1)C 207a_100102657272_100000203724 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.7 CNCc1csc(n1)C 2230a_106832991635_100015186478 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.7 CNCc1csc(n1)C 270004a_106832991635_100000203724 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.7 CNCc1csc(n1)C 34a_100000707933_200000210301 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.7 CNCc1csc(n1)C 34a_100102657272_100015186478 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.7 CNCc1csc(n1)C 7a_106832991635_100015186478 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.7 CNCc1nc(c[nH]1)C 207a_100102657272_100000082322 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.7 CNCc1nc(c[nH]1)C 270004a_106832991635_100000082322 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.7 CNCc1nc(cs1)C 207a_100102657272_100000756994 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.7 CNCc1nc(cs1)C 2230a_100015183719_200000210301 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.7 CNCc1nc(cs1)C 270004a_106832991635_100000756994 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.7 CNCc1ncc(o1)C 2230a_100138411809_200000210301 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.7 CNCc1ncc(o1)C 34a_100138411809_200000210301 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.7 CNCc1ncc(s1)C 207a_100102657272_100011361622 [0,1,0,0,0,0|2,1,0]=4 222 B9R1.7 CNCc1ncc(s1)C 270004a_106832991635_100011361622 [0,1,0,0,0,0|2,1,0]=4 223 B9R1.7 CNCc1nnc(o1)C 2230a_106832991635_100000181450 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.7 CNCc1nnc(o1)C 2230a_200000236979_200000210301 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.7 CNCc1nnc(o1)C 34a_200000236979_200000210301 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.7 CNCc1nnc(o1)C 7a_106832991635_100000181450 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.7 COCc1cc(cs1)Br 34a_100000238369_200000210301 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.7 COCc1cc(cs1)Br 34a_100138415774_100000746031 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.7 COCc1cc(cs1)Br 7a_100000238369_200000210301 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.7 COCc1cc(cs1)C 34a_200000068372_200000210301 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.7 COCc1cc(cs1)C 7a_200000068372_200000210301 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.7 COCc1cc(cs1)O 271570a_203496583355_100011542528 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.7 COCc1cc(no1)C 34a_100000684692_200000210301 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.7 COCc1cc(no1)C 34a_100138415774_100000707947 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.7 COCc1cc(on1)C 34a_100011216401_200000210301 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.7 COCc1cc(on1)C 34a_100138415774_100000199038 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.7 COCc1ccc(o1)Br 34a_100000246276_200000210301 [0,1,0,0,0,0|1,0,0]=2 238 B9R1.7 COCc1ccc(o1)Br 7a_100000246276_200000210301 [0,1,0,0,0,0|1,0,0]=2 239 B9R1.7 COCc1ccc(o1)C 34a_100011232665_200000210301 [0,1,0,0,0,0|0,0,0]=1 240 B9R1.7 COCc1ccc(o1)C 7a_100011232665_200000210301 [0,1,0,0,0,0|0,0,0]=1 241 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [0,1,0,0,0,0|1,1,0]=3 242 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [0,1,0,0,0,0|0,1,0]=2 243 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [0,1,0,0,0,0|1,1,0]=3 244 B9R1.7 COCc1ccn(n1)C 34a_100000744484_200000210301 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.7 COCc1ccn(n1)C 34a_100138415774_100000726502 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.7 COCc1cn(cn1)C 34a_100000710007_200000210301 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.7 COCc1cn(cn1)C 34a_100138415774_100000717665 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.7 COCc1cnc(s1)Br 34a_100138415774_100000717027 [0,1,0,0,0,0|2,1,0]=4 249 B9R1.7 COCc1cnc(s1)Br 7a_100009816753_200000210301 [0,1,0,0,0,0|2,1,0]=4 250 B9R1.7 COCc1cnc(s1)C 34a_100138415774_100020635045 [0,1,0,0,0,0|1,1,0]=3 251 B9R1.7 COCc1cnc(s1)C 7a_100000743366_200000210301 [0,1,0,0,0,0|1,1,0]=3 252 B9R1.7 COCc1cnc(s1)Cl 34a_100138415774_100000058068 [0,1,0,0,0,0|2,1,0]=4 253 B9R1.7 COCc1cnc(s1)Cl 7a_100000697714_200000210301 [0,1,0,0,0,0|2,1,0]=4 254 B9R1.7 COCc1cnc(s1)N 7a_100011997359_200000210301 [0,1,0,0,0,0|2,1,0]=4 255 B9R1.7 COCc1cnn(c1)C 34a_100000239500_200000210301 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.7 COCc1cnn(c1)C 34a_100138415774_100000744441 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.7 COCc1coc(n1)C 34a_100012017233_200000210301 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.7 COCc1csc(c1)Cl 34a_100009863405_200000210301 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.7 COCc1csc(c1)Cl 7a_100009863405_200000210301 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.7 COCc1csc(n1)C 34a_100000735831_200000210301 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.7 COCc1csc(n1)C 34a_100138415774_100015186478 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.7 COCc1csc(n1)Cl 34a_100138415774_100000024076 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.7 COCc1nc(cs1)Br 7a_100012000107_200000210301 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.7 COCc1nc(no1)C 270196a_100000212224_100000210968 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.7 COCc1nc(no1)C 34a_100000749583_200000210301 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.7 COCc1nc(no1)C 34a_100138415774_100000735555 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.7 COCc1ncn(n1)C 34a_100138415774_100016995526 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.7 COCc1nnc(o1)C 34a_100000749586_200000210301 [0,1,0,0,0,0|2,0,0]=3 269 B9R1.7 COCc1nnc(s1)C 34a_100138415774_100000688753 [0,1,0,0,0,0|2,1,0]=4 270 B9R1.7 COCc1noc(n1)C 270196a_100000195696_100000070787 [0,1,0,0,0,0|3,0,0]=4 271 B9R1.7 COCc1noc(n1)C 34a_100138415774_100000231061 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.7 CSCc1ccc(s1)Br 62a_100000708592_200000210301 [0,1,0,0,0,0|1,2,0]=4 273 B9R1.7 CSCc1ccc(s1)Br 62a_200000210301_100000708592 [0,1,0,0,0,0|1,2,0]=4 274 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [0,1,0,0,0,0|1,2,0]=4 275 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [0,1,0,0,0,0|1,2,0]=4 276 B9R1.7 CSCc1ccn(n1)C 62a_100000726502_200000210301 [0,1,0,0,0,0|2,1,0]=4 277 B9R1.7 CSCc1ccn(n1)C 62a_200000210301_100000726502 [0,1,0,0,0,0|2,1,0]=4 278 B9R1.7 CSCc1cnc(s1)C 62a_100020635045_200000210301 [0,1,0,0,0,0|1,2,0]=4 279 B9R1.7 CSCc1cnc(s1)C 62a_200000210301_100020635045 [0,1,0,0,0,0|1,2,0]=4 280 B9R1.7 CSCc1csc(n1)C 62a_100015186478_200000210301 [0,1,0,0,0,0|2,1,0]=4 281 B9R1.7 CSCc1csc(n1)C 62a_200000210301_100015186478 [0,1,0,0,0,0|2,1,0]=4 282 B9R1.7 CSCc1nnc(o1)C 62a_100000181450_200000210301 [0,1,0,0,0,0|2,1,0]=4 283 B9R1.7 CSCc1nnc(o1)C 62a_200000210301_100000181450 [0,1,0,0,0,0|2,1,0]=4 284 B9R1.7 Cc1c[nH]c(n1)SCF 62a_100015361967_100161115468 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.7 Cc1c[nH]c(n1)SCF 62a_100161115468_100015361967 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.7 Cc1cc(cs1)SCF 62a_100000759034_100015361967 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.7 Cc1cc(cs1)SCF 62a_100015361967_100000759034 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.7 Cc1cc(no1)CO[13CH3] 34a_100011216401_200025704644 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.7 Cc1cc(on1)CO[13CH3] 34a_100000684692_200025704644 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.7 Cc1ccc(o1)CN[13CH3] 34a_100011194323_200025704644 [0,1,0,0,0,0|1,0,0]=2 291 B9R1.7 Cc1ccc(o1)CO[13CH3] 34a_100011232665_200025704644 [0,1,0,0,0,0|0,0,0]=1 292 B9R1.7 Cc1ccc(o1)CO[13CH3] 7a_100011232665_200025704644 [0,1,0,0,0,0|0,0,0]=1 293 B9R1.7 Cc1ccc(s1)CN[13CH3] 2230a_100000238518_200025704644 [0,1,0,0,0,0|1,1,0]=3 294 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [0,1,0,0,0,0|0,1,0]=2 295 B9R1.7 Cc1ccc(s1)SCF 62a_100000031368_100015361967 [0,1,0,0,0,0|1,1,0]=3 296 B9R1.7 Cc1ccc(s1)SCF 62a_100015361967_100000031368 [0,1,0,0,0,0|1,1,0]=3 297 B9R1.7 Cc1cnc(o1)CN[13CH3] 2230a_100138411809_200025704644 [0,1,0,0,0,0|2,0,0]=3 298 B9R1.7 Cc1cnc(o1)CN[13CH3] 34a_100138411809_200025704644 [0,1,0,0,0,0|2,0,0]=3 299 B9R1.7 Cc1cnc(s1)SCF 62a_100000690809_100015361967 [0,1,0,0,0,0|2,1,0]=4 300 B9R1.7 Cc1cnc(s1)SCF 62a_100015361967_100000690809 [0,1,0,0,0,0|2,1,0]=4 301 B9R1.7 Cc1csc(c1)CN[13CH3] 2230a_100015204214_200025704644 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.7 Cc1csc(c1)CN[13CH3] 34a_100015204214_200025704644 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.7 Cc1csc(c1)CO[13CH3] 34a_200000068372_200025704644 [0,1,0,0,0,0|2,0,0]=3 304 B9R1.7 Cc1csc(c1)CO[13CH3] 7a_200000068372_200025704644 [0,1,0,0,0,0|2,0,0]=3 305 B9R1.7 Cc1csc(c1)SCF 62a_100009876951_100015361967 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.7 Cc1csc(c1)SCF 62a_100015361967_100009876951 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.7 Cc1csc(n1)CN[13CH3] 2230a_100015183719_200025704644 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.7 Cc1csc(n1)SCF 62a_100011291629_100015361967 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.7 Cc1csc(n1)SCF 62a_100015361967_100011291629 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.7 Cc1nc(c[nH]1)SCF 62a_100009814057_100015361967 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.7 Cc1nc(c[nH]1)SCF 62a_100015361967_100009814057 [0,1,0,0,0,0|3,0,0]=4 312 B9R1.7 Cc1nc(co1)CO[13CH3] 34a_100012017233_200025704644 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.7 Cc1nc(cs1)CN[13CH3] 34a_100000707933_200025704644 [0,1,0,0,0,0|3,0,0]=4 314 B9R1.7 Cc1nc(cs1)CO[13CH3] 34a_100000735831_200025704644 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_100015186478_200025704644 [0,1,0,0,0,0|2,1,0]=4 316 B9R1.7 Cc1nc(cs1)CS[13CH3] 62a_200025704644_100015186478 [0,1,0,0,0,0|2,1,0]=4 317 B9R1.7 Cc1nc(cs1)SCF 62a_100011934587_100015361967 [0,1,0,0,0,0|3,0,0]=4 318 B9R1.7 Cc1nc(cs1)SCF 62a_100015361967_100011934587 [0,1,0,0,0,0|3,0,0]=4 319 B9R1.7 Cc1ncc(s1)CN[13CH3] 2230a_200000743601_200025704644 [0,1,0,0,0,0|2,1,0]=4 320 B9R1.7 Cc1ncc(s1)CO[13CH3] 7a_100000743366_200025704644 [0,1,0,0,0,0|1,1,0]=3 321 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_100020635045_200025704644 [0,1,0,0,0,0|1,2,0]=4 322 B9R1.7 Cc1ncc(s1)CS[13CH3] 62a_200025704644_100020635045 [0,1,0,0,0,0|1,2,0]=4 323 B9R1.7 Cc1ncc(s1)SCF 62a_100000764884_100015361967 [0,1,0,0,0,0|2,1,0]=4 324 B9R1.7 Cc1ncc(s1)SCF 62a_100015361967_100000764884 [0,1,0,0,0,0|2,1,0]=4 325 B9R1.7 Cc1nnc(o1)CN[13CH3] 2230a_200000236979_200025704644 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.7 Cc1nnc(o1)CN[13CH3] 34a_200000236979_200025704644 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.7 Cc1nnc(o1)CO[13CH3] 34a_100000749586_200025704644 [0,1,0,0,0,0|2,0,0]=3 328 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_100000181450_200025704644 [0,1,0,0,0,0|2,1,0]=4 329 B9R1.7 Cc1nnc(o1)CS[13CH3] 62a_200025704644_100000181450 [0,1,0,0,0,0|2,1,0]=4 330 B9R1.7 Cc1nnc(o1)SCF 62a_100015361967_100000708914 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.7 Cc1noc(n1)CCO 270196a_100000212224_100011216618 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.7 Cc1noc(n1)CO[13CH3] 34a_100000749583_200025704644 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.7 Cn1cc(cn1)CO[13CH3] 34a_100000239500_200025704644 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.7 Cn1ccc(n1)CN[13CH3] 2230a_100020636201_200025704644 [0,1,0,0,0,0|3,0,0]=4 335 B9R1.7 Cn1ccc(n1)CN[13CH3] 34a_100020636201_200025704644 [0,1,0,0,0,0|3,0,0]=4 336 B9R1.7 Cn1ccc(n1)CO[13CH3] 34a_100000744484_200025704644 [0,1,0,0,0,0|2,0,0]=3 337 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_100000726502_200025704644 [0,1,0,0,0,0|2,1,0]=4 338 B9R1.7 Cn1ccc(n1)CS[13CH3] 62a_200025704644_100000726502 [0,1,0,0,0,0|2,1,0]=4 339 B9R1.7 Cn1ccc(n1)OCF 34a_100012642153_100015361967 [0,1,0,0,0,0|3,0,0]=4 340 B9R1.7 Cn1ccc(n1)SCF 62a_100000752436_100015361967 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.7 Cn1ccc(n1)SCF 62a_100015361967_100000752436 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.7 Cn1cnc(c1)CO[13CH3] 34a_100000710007_200025704644 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.7 FCSc1ccc(s1)Br 62a_100010197418_100015361967 [0,1,0,0,0,0|2,1,0]=4 344 B9R1.7 FCSc1ccc(s1)Br 62a_100015361967_100010197418 [0,1,0,0,0,0|2,1,0]=4 345 B9R1.7 N#CCc1ccc(s1)O 271570a_203496583355_100000740997 [0,1,0,0,0,0|2,1,0]=4 346 B9R1.7 OCCn1ccc(n1)O 271570a_203496583355_200010732121 [0,1,0,0,0,0|3,0,0]=4 347 B9R1.7 [13CH3]NCc1ccc(o1)Br 34a_100000708654_200025704644 [0,1,0,0,0,0|2,0,0]=3 348 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [0,1,0,0,0,0|2,1,0]=4 349 B9R1.7 [13CH3]OCc1cc(cs1)Br 34a_100000238369_200025704644 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.7 [13CH3]OCc1cc(cs1)Br 7a_100000238369_200025704644 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.7 [13CH3]OCc1ccc(o1)Br 34a_100000246276_200025704644 [0,1,0,0,0,0|1,0,0]=2 352 B9R1.7 [13CH3]OCc1ccc(o1)Br 7a_100000246276_200025704644 [0,1,0,0,0,0|1,0,0]=2 353 B9R1.7 [13CH3]OCc1cnc(s1)Br 7a_100009816753_200025704644 [0,1,0,0,0,0|2,1,0]=4 354 B9R1.7 [13CH3]OCc1cnc(s1)Cl 7a_100000697714_200025704644 [0,1,0,0,0,0|2,1,0]=4 355 B9R1.7 [13CH3]OCc1cnc(s1)N 7a_100011997359_200025704644 [0,1,0,0,0,0|2,1,0]=4 356 B9R1.7 [13CH3]OCc1csc(c1)Cl 34a_100009863405_200025704644 [0,1,0,0,0,0|3,0,0]=4 357 B9R1.7 [13CH3]OCc1csc(c1)Cl 7a_100009863405_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B9R1.7 [13CH3]OCc1nc(cs1)Br 7a_100012000107_200025704644 [0,1,0,0,0,0|3,0,0]=4 359 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_100000708592_200025704644 [0,1,0,0,0,0|1,2,0]=4 360 B9R1.7 [13CH3]SCc1ccc(s1)Br 62a_200025704644_100000708592 [0,1,0,0,0,0|1,2,0]=4 361 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [0,1,0,0,0,0|1,2,0]=4 362 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [0,1,0,0,0,0|1,2,0]=4 363 B9R1.21 C=Cc1ccc(o1)C#N 271570a_100011290941_100000764468 [0,1,0,0,0,0|1,0,2]=4 364 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [0,1,0,0,0,0|0,0,3]=4 365 B9R1.21 C=Cc1ccc(o1)CN 271570a_100011290941_100000708654 [0,1,0,0,0,0|1,0,1]=3 366 B9R1.21 C=Cc1ccc(o1)CO 271570a_100011290941_100000246276 [0,1,0,0,0,0|0,0,1]=2 367 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [0,1,0,0,0,0|1,1,1]=4 368 B9R1.21 C=Cc1ccc(s1)CN 271570a_100011290941_100000737305 [0,1,0,0,0,0|1,1,1]=4 369 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [0,1,0,0,0,0|0,1,1]=3 370 B9R1.21 C=Cc1cnc(s1)CO 271570a_100011290941_100000696694 [0,1,0,0,0,0|1,1,1]=4 371 B9R1.21 C=Cc1csc(c1)CO 271570a_100011290941_100000238369 [0,1,0,0,0,0|2,0,1]=4 372 B9R1.21 C=Cc1csc(n1)CO 271570a_100011290941_100012000107 [0,1,0,0,0,0|2,0,1]=4 373 B9R1.21 C=Cc1nc(cs1)CO 271570a_100011290941_100009816749 [0,1,0,0,0,0|2,0,1]=4 374 B9R1.21 C=Cc1ncc(s1)CO 271570a_100011290941_100009816753 [0,1,0,0,0,0|1,1,1]=4 375 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [0,1,0,0,0,0|3,0,0]=4 377 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [0,1,0,0,0,0|3,0,0]=4 378 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [0,1,0,0,0,0|3,0,0]=4 379 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,1,0,0,0,0|1,1,0]=3 380 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,1,0,0,0,0|1,1,0]=3 381 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,1,0,0,0,0|1,1,0]=3 382 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,1,0,0,0,0|1,1,0]=3 383 B9R1.21 CCc1noc(n1)CO 270196a_200000212204_100000210174 [0,1,0,0,0,0|3,0,0]=4 384 B9R1.21 CCn1ccc(n1)SC 62a_100012350556_200000210301 [0,1,0,0,0,0|3,0,0]=4 385 B9R1.21 CCn1ccc(n1)SC 62a_200000210301_100012350556 [0,1,0,0,0,0|3,0,0]=4 386 B9R1.21 CCn1ccc(n1)S[13CH3] 62a_100012350556_200025704644 [0,1,0,0,0,0|3,0,0]=4 387 B9R1.21 CCn1ccc(n1)S[13CH3] 62a_200025704644_100012350556 [0,1,0,0,0,0|3,0,0]=4 388 B9R1.21 CN[C@H]1C=C[C@H](C1)CO 2230a_100020646542_200000210301 [0,1,0,0,0,0|1,0,2]=4 389 B9R1.21 CN[C@H]1C=C[C@H](C1)CO 34a_100020646542_200000210301 [0,1,0,0,0,0|1,0,2]=4 390 B9R1.21 CSc1cc(on1)CO 62a_100009816691_200000210301 [0,1,0,0,0,0|3,0,0]=4 391 B9R1.21 CSc1cc(on1)CO 62a_200000210301_100009816691 [0,1,0,0,0,0|3,0,0]=4 392 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [0,1,0,0,0,0|1,0,2]=4 393 B9R1.21 CSc1ccc(o1)C#N 62a_200000210301_100000764468 [0,1,0,0,0,0|1,0,1]=3 394 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [0,1,0,0,0,0|0,0,2]=3 395 B9R1.21 CSc1ccc(o1)CN 62a_200000210301_100000708654 [0,1,0,0,0,0|1,0,0]=2 396 B9R1.21 CSc1ccc(o1)CO 62a_100000246276_200000210301 [0,1,0,0,0,0|0,0,0]=1 397 B9R1.21 CSc1ccc(o1)CO 62a_200000210301_100000246276 [0,1,0,0,0,0|0,0,0]=1 398 B9R1.21 CSc1ccc(s1)C#N 62a_200000210301_100000737243 [0,1,0,0,0,0|1,1,1]=4 399 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [0,1,0,0,0,0|0,1,2]=4 400 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [0,1,0,0,0,0|0,1,2]=4 401 B9R1.21 CSc1ccc(s1)CN 62a_100000737305_200000210301 [0,1,0,0,0,0|1,1,0]=3 402 B9R1.21 CSc1ccc(s1)CN 62a_200000210301_100000737305 [0,1,0,0,0,0|1,1,0]=3 403 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [0,1,0,0,0,0|0,1,0]=2 404 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [0,1,0,0,0,0|0,1,0]=2 405 B9R1.21 CSc1cnc(s1)CN 62a_100016991807_200000210301 [0,1,0,0,0,0|2,1,0]=4 406 B9R1.21 CSc1cnc(s1)CN 62a_200000210301_100016991807 [0,1,0,0,0,0|2,1,0]=4 407 B9R1.21 CSc1cnc(s1)CO 62a_100000696694_200000210301 [0,1,0,0,0,0|1,1,0]=3 408 B9R1.21 CSc1cnc(s1)CO 62a_200000210301_100000696694 [0,1,0,0,0,0|1,1,0]=3 409 B9R1.21 CSc1csc(c1)CN 62a_100000741024_200000210301 [0,1,0,0,0,0|3,0,0]=4 410 B9R1.21 CSc1csc(c1)CN 62a_200000210301_100000741024 [0,1,0,0,0,0|3,0,0]=4 411 B9R1.21 CSc1csc(c1)CO 62a_100000238369_200000210301 [0,1,0,0,0,0|2,0,0]=3 412 B9R1.21 CSc1csc(c1)CO 62a_200000210301_100000238369 [0,1,0,0,0,0|2,0,0]=3 413 B9R1.21 CSc1csc(n1)CO 62a_100012000107_200000210301 [0,1,0,0,0,0|2,0,0]=3 414 B9R1.21 CSc1csc(n1)CO 62a_200000210301_100012000107 [0,1,0,0,0,0|2,0,0]=3 415 B9R1.21 CSc1nc(cs1)CO 62a_100009816749_200000210301 [0,1,0,0,0,0|2,0,0]=3 416 B9R1.21 CSc1nc(cs1)CO 62a_200000210301_100009816749 [0,1,0,0,0,0|2,0,0]=3 417 B9R1.21 CSc1ncc(s1)CN 62a_100000726991_200000210301 [0,1,0,0,0,0|2,1,0]=4 418 B9R1.21 CSc1ncc(s1)CN 62a_200000210301_100000726991 [0,1,0,0,0,0|2,1,0]=4 419 B9R1.21 CSc1ncc(s1)CO 62a_100009816753_200000210301 [0,1,0,0,0,0|1,1,0]=3 420 B9R1.21 CSc1ncc(s1)CO 62a_200000210301_100009816753 [0,1,0,0,0,0|1,1,0]=3 421 B9R1.21 OCc1nc(no1)CF 270196a_200000032654_100000210174 [0,1,0,0,0,0|3,0,0]=4 422 B9R1.21 [13CH3]N[C@H]1C=C[C@H](C1)CO 2230a_100020646542_200025704644 [0,1,0,0,0,0|1,0,2]=4 423 B9R1.21 [13CH3]N[C@H]1C=C[C@H](C1)CO 34a_100020646542_200025704644 [0,1,0,0,0,0|1,0,2]=4 424 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_100009816691_200025704644 [0,1,0,0,0,0|3,0,0]=4 425 B9R1.21 [13CH3]Sc1cc(on1)CO 62a_200025704644_100009816691 [0,1,0,0,0,0|3,0,0]=4 426 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [0,1,0,0,0,0|1,0,2]=4 427 B9R1.21 [13CH3]Sc1ccc(o1)C#N 62a_200025704644_100000764468 [0,1,0,0,0,0|1,0,1]=3 428 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [0,1,0,0,0,0|0,0,2]=3 429 B9R1.21 [13CH3]Sc1ccc(o1)CN 62a_200025704644_100000708654 [0,1,0,0,0,0|1,0,0]=2 430 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_100000246276_200025704644 [0,1,0,0,0,0|0,0,0]=1 431 B9R1.21 [13CH3]Sc1ccc(o1)CO 62a_200025704644_100000246276 [0,1,0,0,0,0|0,0,0]=1 432 B9R1.21 [13CH3]Sc1ccc(s1)C#N 62a_200025704644_100000737243 [0,1,0,0,0,0|1,1,1]=4 433 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [0,1,0,0,0,0|0,1,2]=4 434 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [0,1,0,0,0,0|0,1,2]=4 435 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_100000737305_200025704644 [0,1,0,0,0,0|1,1,0]=3 436 B9R1.21 [13CH3]Sc1ccc(s1)CN 62a_200025704644_100000737305 [0,1,0,0,0,0|1,1,0]=3 437 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [0,1,0,0,0,0|0,1,0]=2 438 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [0,1,0,0,0,0|0,1,0]=2 439 B9R1.21 [13CH3]Sc1cnc(s1)CN 62a_100016991807_200025704644 [0,1,0,0,0,0|2,1,0]=4 440 B9R1.21 [13CH3]Sc1cnc(s1)CN 62a_200025704644_100016991807 [0,1,0,0,0,0|2,1,0]=4 441 B9R1.21 [13CH3]Sc1cnc(s1)CO 62a_100000696694_200025704644 [0,1,0,0,0,0|1,1,0]=3 442 B9R1.21 [13CH3]Sc1cnc(s1)CO 62a_200025704644_100000696694 [0,1,0,0,0,0|1,1,0]=3 443 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_100000741024_200025704644 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.21 [13CH3]Sc1csc(c1)CN 62a_200025704644_100000741024 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_100000238369_200025704644 [0,1,0,0,0,0|2,0,0]=3 446 B9R1.21 [13CH3]Sc1csc(c1)CO 62a_200025704644_100000238369 [0,1,0,0,0,0|2,0,0]=3 447 B9R1.21 [13CH3]Sc1csc(n1)CO 62a_100012000107_200025704644 [0,1,0,0,0,0|2,0,0]=3 448 B9R1.21 [13CH3]Sc1csc(n1)CO 62a_200025704644_100012000107 [0,1,0,0,0,0|2,0,0]=3 449 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_100009816749_200025704644 [0,1,0,0,0,0|2,0,0]=3 450 B9R1.21 [13CH3]Sc1nc(cs1)CO 62a_200025704644_100009816749 [0,1,0,0,0,0|2,0,0]=3 451 B9R1.21 [13CH3]Sc1ncc(s1)CN 62a_100000726991_200025704644 [0,1,0,0,0,0|2,1,0]=4 452 B9R1.21 [13CH3]Sc1ncc(s1)CN 62a_200025704644_100000726991 [0,1,0,0,0,0|2,1,0]=4 453 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_100009816753_200025704644 [0,1,0,0,0,0|1,1,0]=3 454 B9R1.21 [13CH3]Sc1ncc(s1)CO 62a_200025704644_100009816753 [0,1,0,0,0,0|1,1,0]=3 455 B9R1.22 C=Cc1sc(cc1C)C 271570a_100011290941_100000689295 [0,1,0,0,0,0|1,1,1]=4 456 B9R1.22 CCc1nn(cc1O)C 271570a_203496583355_100012396458 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [0,1,0,0,0,0|2,1,0]=4 458 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [0,1,0,0,0,0|2,1,0]=4 459 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [0,1,0,0,0,0|0,1,2]=4 460 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [0,1,0,0,0,0|2,1,0]=4 461 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [0,1,0,0,0,0|2,1,0]=4 462 B9R1.22 Cc1nc(c(s1)O)CO 271570a_203496583355_100011103066 [0,1,0,0,0,0|2,0,0]=3 463 B9R1.22 Cc1nc(sc1CO)O 271570a_203496583355_100010264302 [0,1,0,0,0,0|2,1,0]=4 464 B9R1.22 Cc1sc(nc1CO)O 271570a_203496583355_100010127906 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.22 Cn1cc(c(n1)CO)O 271570a_203496583355_100009816719 [0,1,0,0,0,0|2,0,0]=3 466 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [0,1,0,0,0,0|1,1,1]=4 467 B9R1.23 CCc1nc(c(s1)O)C 271570a_203496583355_100010138847 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.23 CSc1cc(c(s1)C)C 62a_100009850898_200000210301 [0,1,0,0,0,0|2,1,0]=4 469 B9R1.23 CSc1cc(c(s1)C)C 62a_200000210301_100009850898 [0,1,0,0,0,0|2,1,0]=4 470 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_100009850898_200025704644 [0,1,0,0,0,0|2,1,0]=4 471 B9R1.23 Cc1cc(sc1C)S[13CH3] 62a_200025704644_100009850898 [0,1,0,0,0,0|2,1,0]=4 472 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [0,1,0,0,0,0|0,1,2]=4 473 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [0,1,0,0,0,0|0,1,0]=2 474 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,1,0,0,0,0|1,1,1]=4 475 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,0,0|1,0,2]=4 476 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,1,0,0,0,0|2,1,0]=4 477 B9R1.35 Cc1noc(n1)C(O)O 270196a_100000212224_100000233687 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.35 Cc1noc(n1)[C@@H](C)O 270196a_100000212224_100000717761 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.35 Cc1noc(n1)[C@H](C)O 270196a_100000212224_217856618621 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.35 OB(O)c1ccc(s1)O 271570a_203496583355_100009813780 [0,1,0,0,0,0|2,1,0]=4 481 B9R1.35 Oc1ccc(o1)C(F)F 271570a_203496583355_100010688628 [0,1,0,0,0,0|2,0,0]=3 482 B9R1.35 Oc1ccc(s1)C(F)F 271570a_203496583355_100000733805 [0,1,0,0,0,0|2,1,0]=4 483 B9R1.132 Cc1n[nH]c(c1O)CO 271570a_203496583355_100015664438 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.132 Cn1c(cnc1CO)O 271570a_203496583355_100009817024 [0,1,0,0,0,0|3,0,0]=4 485 B9R1.132 Cn1ncc(c1O)CO 271570a_203496583355_100011063722 [0,1,0,0,0,0|3,0,0]=4 486 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,1,0,0,0|3,0,0]=4 487 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,0,1,0,0,0|2,0,0]=3 488 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [0,0,1,0,0,0|3,0,0]=4 489 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,0,1,0,0,0|1,0,2]=4 490 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,0,1,0,0,0|0,0,2]=3 491 B7R0.3 C=CC(=NNCC)C 4a_100000756455_200015361842 [0,0,1,0,0,0|3,0,0]=4 492 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,0,1,0,0,0|2,0,1]=4 493 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,0,1,0,0,0|2,0,1]=4 494 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,0,1,0,0,0|1,0,2]=4 495 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,0,1,0,0,0|1,0,2]=4 496 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,0,1,0,0,0|0,0,2]=3 497 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [0,0,1,0,0,0|0,1,2]=4 498 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [0,0,1,0,0,0|1,0,2]=4 499 B7R0.3 C=CC=CC(=O)CF 1458a_100016291481_100015361967 [0,0,1,0,0,0|1,0,2]=4 500 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,0,1,0,0,0|1,0,2]=4 501 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,0,1,0,0,0|1,0,2]=4 502 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,0,1,0,0,0|1,0,2]=4 503 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,0,1,0,0,0|0,0,2]=3 504 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,0,1,0,0,0|2,0,1]=4 505 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,0,1,0,0,0|1,0,2]=4 506 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,0,1,0,0,0|1,0,2]=4 507 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [0,0,1,0,0,0|2,0,1]=4 508 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [0,0,1,0,0,0|1,0,2]=4 509 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [0,0,1,0,0,0|1,0,2]=4 510 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,1,0,0,0|1,0,2]=4 511 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,1,0,0,0|1,0,2]=4 512 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,1,0,0,0|1,0,2]=4 513 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,1,0,0,0|1,0,2]=4 514 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,1,0,0,0|1,0,2]=4 515 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,0,1,0,0,0|2,0,1]=4 516 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,0,1,0,0,0|2,0,1]=4 517 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,0,1,0,0,0|1,0,2]=4 518 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,0,1,0,0,0|1,0,2]=4 519 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,0,1,0,0,0|1,0,2]=4 520 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,0,1,0,0,0|1,0,2]=4 521 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [0,0,0,0,0,1|2,0,1]=4 522 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [0,0,0,0,0,1|2,0,1]=4 523 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [0,0,0,0,0,1|2,0,1]=4 524 B9R1.1 C=Cc1ccc(nn1)C 271570a_100011290941_100011450037 [0,0,0,0,0,1|2,0,1]=4 525 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [0,0,0,0,0,1|3,0,0]=4 526 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [0,0,0,0,0,1|3,0,0]=4 527 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [0,0,0,0,0,1|3,0,0]=4 528 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [0,0,0,0,0,1|3,0,0]=4 529 B9R1.1 CNc1ccc(nn1)C 27a_100102657272_100000744512 [0,0,0,0,0,1|3,0,0]=4 530 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [0,0,0,0,0,1|3,0,0]=4 531 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [0,0,0,0,0,1|3,0,0]=4 532 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [0,0,0,0,0,1|3,0,0]=4 533 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [0,0,0,0,0,1|3,0,0]=4 534 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [0,0,0,0,0,1|3,0,0]=4 535 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [0,0,0,0,0,1|3,0,0]=4 536 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [0,0,0,0,0,1|3,0,0]=4 537 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [0,0,0,0,0,1|3,0,0]=4 538 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [0,0,0,0,0,1|3,0,0]=4 539 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [0,0,0,0,0,1|3,0,0]=4 540 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [0,0,0,0,0,1|3,0,0]=4 541 B9R1.1 CSc1ccc(nn1)C 62a_100000744512_200000210301 [0,0,0,0,0,1|3,0,0]=4 542 B9R1.1 CSc1ccc(nn1)C 62a_200000210301_100000744512 [0,0,0,0,0,1|3,0,0]=4 543 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [0,0,0,0,0,1|3,0,0]=4 544 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [0,0,0,0,0,1|3,0,0]=4 545 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [0,0,0,0,0,1|3,0,0]=4 546 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [0,0,0,0,0,1|3,0,0]=4 547 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [0,0,0,0,0,1|3,0,0]=4 548 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [0,0,0,0,0,1|3,0,0]=4 549 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [0,0,0,0,0,1|3,0,0]=4 550 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [0,0,0,0,0,1|3,0,0]=4 551 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [0,0,0,0,0,1|3,0,0]=4 552 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [0,0,0,0,0,1|3,0,0]=4 553 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [0,0,0,0,0,1|3,0,0]=4 554 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [0,0,0,0,0,1|3,0,0]=4 555 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_100000744512_200025704644 [0,0,0,0,0,1|3,0,0]=4 556 B9R1.1 Cc1ccc(nn1)S[13CH3] 62a_200025704644_100000744512 [0,0,0,0,0,1|3,0,0]=4 557 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [0,0,0,0,0,1|3,0,0]=4 558 B9R1.1 NCc1ccc(cn1)O 271570a_203496583355_100015188789 [0,0,0,0,0,1|3,0,0]=4 559 B9R1.1 NCc1ccc(nc1)O 271570a_203496583355_100009817727 [0,0,0,0,0,1|3,0,0]=4 560 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [0,0,0,0,0,1|2,0,0]=3 561 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [0,0,0,0,0,1|2,0,0]=3 562 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [0,0,0,0,0,1|2,0,0]=3 563 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [0,0,0,0,0,1|3,0,0]=4 564 B9R1.1 OCc1cnc(nc1)O 271570a_203496583355_100009855073 [0,0,0,0,0,1|3,0,0]=4 565 B9R1.1 OCc1ncc(cn1)O 271570a_203496583355_100009867226 [0,0,0,0,0,1|3,0,0]=4 566 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [0,0,0,0,0,1|3,0,0]=4 567 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [0,0,0,0,0,1|2,0,1]=4 568 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [0,0,0,0,0,1|2,0,1]=4 569 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [0,0,0,0,0,1|2,0,1]=4 570 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [0,0,0,0,0,1|2,0,1]=4 571 B9R1.2 C=Cc1ccnc(n1)C 271570a_100011290941_100000749937 [0,0,0,0,0,1|2,0,1]=4 572 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [0,0,0,0,0,1|2,0,1]=4 573 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [0,0,0,0,0,1|2,0,1]=4 574 B9R1.2 C=Cc1nccc(n1)C 271570a_100011290941_100011243806 [0,0,0,0,0,1|2,0,1]=4 575 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [0,0,0,0,0,1|3,0,0]=4 576 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [0,0,0,0,0,1|3,0,0]=4 577 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [0,0,0,0,0,1|3,0,0]=4 578 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [0,0,0,0,0,1|3,0,0]=4 579 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [0,0,0,0,0,1|3,0,0]=4 580 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [0,0,0,0,0,1|3,0,0]=4 581 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [0,0,0,0,0,1|3,0,0]=4 582 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [0,0,0,0,0,1|3,0,0]=4 583 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [0,0,0,0,0,1|3,0,0]=4 584 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [0,0,0,0,0,1|3,0,0]=4 585 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [0,0,0,0,0,1|3,0,0]=4 586 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [0,0,0,0,0,1|3,0,0]=4 587 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [0,0,0,0,0,1|3,0,0]=4 588 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [0,0,0,0,0,1|3,0,0]=4 589 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [0,0,0,0,0,1|3,0,0]=4 590 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [0,0,0,0,0,1|3,0,0]=4 591 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [0,0,0,0,0,1|3,0,0]=4 592 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [0,0,0,0,0,1|3,0,0]=4 593 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [0,0,0,0,0,1|3,0,0]=4 594 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [0,0,0,0,0,1|3,0,0]=4 595 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [0,0,0,0,0,1|3,0,0]=4 596 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [0,0,0,0,0,1|3,0,0]=4 597 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [0,0,0,0,0,1|3,0,0]=4 598 B9R1.2 CSc1ccnc(c1)C 62a_100000758586_200000210301 [0,0,0,0,0,1|3,0,0]=4 599 B9R1.2 CSc1ccnc(c1)C 62a_200000210301_100000758586 [0,0,0,0,0,1|3,0,0]=4 600 B9R1.2 CSc1ccnc(n1)C 62a_100000749937_200000210301 [0,0,0,0,0,1|3,0,0]=4 601 B9R1.2 CSc1ccnc(n1)C 62a_200000210301_100000749937 [0,0,0,0,0,1|3,0,0]=4 602 B9R1.2 CSc1cncc(c1)C 62a_100000760492_200000210301 [0,0,0,0,0,1|3,0,0]=4 603 B9R1.2 CSc1cncc(c1)C 62a_200000210301_100000760492 [0,0,0,0,0,1|3,0,0]=4 604 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [0,0,0,0,0,1|3,0,0]=4 605 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [0,0,0,0,0,1|3,0,0]=4 606 B9R1.2 CSc1nccc(n1)C 62a_100011243806_200000210301 [0,0,0,0,0,1|3,0,0]=4 607 B9R1.2 CSc1nccc(n1)C 62a_200000210301_100011243806 [0,0,0,0,0,1|3,0,0]=4 608 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [0,0,0,0,0,1|3,0,0]=4 609 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_100000758586_200025704644 [0,0,0,0,0,1|3,0,0]=4 610 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_200025704644_100000758586 [0,0,0,0,0,1|3,0,0]=4 611 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [0,0,0,0,0,1|3,0,0]=4 612 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [0,0,0,0,0,1|3,0,0]=4 613 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [0,0,0,0,0,1|3,0,0]=4 614 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [0,0,0,0,0,1|3,0,0]=4 615 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [0,0,0,0,0,1|3,0,0]=4 616 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [0,0,0,0,0,1|3,0,0]=4 617 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [0,0,0,0,0,1|3,0,0]=4 618 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [0,0,0,0,0,1|3,0,0]=4 619 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [0,0,0,0,0,1|3,0,0]=4 620 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [0,0,0,0,0,1|3,0,0]=4 621 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_100011243806_200025704644 [0,0,0,0,0,1|3,0,0]=4 622 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_200025704644_100011243806 [0,0,0,0,0,1|3,0,0]=4 623 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [0,0,0,0,0,1|3,0,0]=4 624 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [0,0,0,0,0,1|3,0,0]=4 625 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_100000760492_200025704644 [0,0,0,0,0,1|3,0,0]=4 626 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_200025704644_100000760492 [0,0,0,0,0,1|3,0,0]=4 627 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [0,0,0,0,0,1|3,0,0]=4 628 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [0,0,0,0,0,1|3,0,0]=4 629 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_100000749937_200025704644 [0,0,0,0,0,1|3,0,0]=4 630 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_200025704644_100000749937 [0,0,0,0,0,1|3,0,0]=4 631 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [0,0,0,0,0,1|3,0,0]=4 632 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [0,0,0,0,0,1|3,0,0]=4 633 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [0,0,0,0,0,1|3,0,0]=4 634 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [0,0,0,0,0,1|3,0,0]=4 635 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [0,0,0,0,0,1|2,0,0]=3 636 B9R1.2 OCc1cc(ncn1)O 271570a_203496583355_100000731546 [0,0,0,0,0,1|3,0,0]=4 637 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [0,0,0,0,0,1|2,0,0]=3 638 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [0,0,0,0,0,1|2,0,0]=3 639 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [0,0,0,0,0,1|2,0,0]=3 640 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [0,0,0,0,0,1|2,0,0]=3 641 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [0,0,0,0,0,1|2,0,0]=3 642 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [0,0,0,0,0,1|3,0,0]=4 643 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,1,0,0,0|1,0,1]=4 644 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,1,0,0,0|0,0,2]=4 645 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [1,0,1,0,0,0|1,0,1]=4 646 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,0,1,0,0,0|0,0,2]=4 647 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|1,0,1]=4 648 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [1,0,1,0,0,0|1,0,1]=4 649 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,1,0,0,0|2,0,0]=4 650 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,1,0,0,0|0,0,2]=4 651 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,1,0,0,0|0,0,2]=4 652 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,1,0,0,0|0,0,2]=4 653 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,1,0,0,0|0,0,2]=4 654 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,1,0,0,0|0,0,2]=4 655 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,1,0,0,0|0,0,2]=4 656 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|0,0,2]=4 657 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|0,0,2]=4 658 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,1,0,0,0|1,0,1]=4 659 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,1,0,0,0|1,0,1]=4 660 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,0,1,0,0,0|0,0,2]=4 661 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,0,1,0,0,0|1,0,1]=4 662 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,0,1,0,0,0|1,0,1]=4 663 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,0,1,0,0,0|1,0,1]=4 664 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,0,1,0,0,0|1,0,1]=4 665 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [1,0,1,0,0,0|1,0,1]=4 666 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [1,0,1,0,0,0|1,0,1]=4 667 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [1,0,1,0,0,0|1,0,1]=4 668 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [1,0,1,0,0,0|1,0,1]=4 669 B6R1.2 Oc1c[nH]cn1 271570a_203496583355_100000756875 [2,0,0,0,0,0|2,0,0]=4 670 B6R1.2 Oc1cc[nH]n1 271570a_203496583355_100000062575 [2,0,0,0,0,0|2,0,0]=4 671 B6R1.2 Oc1ccco1 271570a_203496583355_100009814098 [2,0,0,0,0,0|0,0,0]=2 672 B6R1.2 Oc1cccs1 271570a_203496583355_100011215356 [2,0,0,0,0,0|0,1,0]=3 673 B6R1.2 Oc1ccoc1 271570a_203496583355_100011215275 [2,0,0,0,0,0|2,0,0]=4 674 B6R1.2 Oc1ccsc1 271570a_203496583355_100000738268 [2,0,0,0,0,0|2,0,0]=4 675 B6R1.2 Oc1ccsn1 271570a_203496583355_100009818082 [2,0,0,0,0,0|2,0,0]=4 676 B6R1.2 Oc1cnco1 271570a_203496583355_100020591547 [2,0,0,0,0,0|1,0,0]=3 677 B6R1.2 Oc1cncs1 271570a_203496583355_100011934649 [2,0,0,0,0,0|1,1,0]=4 678 B6R1.2 Oc1cscn1 271570a_203496583355_100000751502 [2,0,0,0,0,0|2,0,0]=4 679 B6R1.2 Oc1ncc[nH]1 271570a_203496583355_100025796157 [2,0,0,0,0,0|2,0,0]=4 680 B6R1.2 Oc1ncco1 271570a_203496583355_100011787736 [2,0,0,0,0,0|1,0,0]=3 681 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [2,0,0,0,0,0|1,1,0]=4 682 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,1,1,0,0,0|2,0,0]=4 683 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,1,1,0,0,0|2,0,0]=4 684 B8R0.23 C=C(C)CC(=O)C(O)O 1458a_100000233687_100000748629 [0,1,1,0,0,0|2,0,0]=4 685 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,1,1,0,0,0|2,0,0]=4 686 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,1,1,0,0,0|2,0,0]=4 687 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [0,1,1,0,0,0|0,0,2]=4 688 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,1,0,0,0|0,0,2]=4 689 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,1,0,0,0|0,0,2]=4 690 B8R0.1 C=CC=CC(=O)CCO 1458a_100016291481_100000211926 [0,1,1,0,0,0|0,0,2]=4 691 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,1,1,0,0,0|0,0,2]=4 692 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,1,1,0,0,0|0,0,2]=4 693 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,1,0,0,0|0,0,2]=4 694 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,1,0,0,0|0,0,2]=4 695 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,1,0,0,0|0,0,2]=4 696 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,1,0,0,0|0,0,2]=4 697 B8R0.1 COC=CC(=O)CCO 1458a_100016268678_100000211926 [0,1,1,0,0,0|1,0,1]=4 698 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [0,1,1,0,0,0|1,0,1]=4 699 B8R0.6 C/C=C/C=CC(=O)CF 1458a_100000185730_100015361967 [0,1,1,0,0,0|1,0,1]=4 700 B8R0.6 C=CC(=NNCCO)C 4a_100000210001_200015361842 [0,1,1,0,0,0|1,0,1]=4 701 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [0,1,1,0,0,0|1,0,1]=4 702 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [0,1,1,0,0,0|0,0,2]=4 703 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [0,1,1,0,0,0|0,0,2]=4 704 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [0,1,1,0,0,0|0,0,2]=4 705 B8R0.6 C=CC(C)OCCOC 34a_100000695699_100011201679 [0,1,1,0,0,0|0,0,2]=4 706 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,1,0,0,0|0,0,2]=4 707 B8R0.8 C/C=C/CC(=O)C(O)O 1458a_100000233687_100102629194 [0,1,1,0,0,0|0,0,2]=4 708 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,1,1,0,0,0|0,0,2]=4 709 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,1,1,0,0,0|0,0,2]=4 710 B8R0.8 CC=CCC(=O)C(O)O 1458a_100000233687_100000070051 [0,1,1,0,0,0|0,0,2]=4 711 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,1,1,0,0,0|0,0,2]=4 712 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,1,1,0,0,0|0,0,2]=4 713 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [0,1,1,0,0,0|0,0,2]=4 714 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [0,1,1,0,0,0|0,0,2]=4 715 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,1,1,0,0,0|0,0,2]=4 716 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,1,1,0,0,0|0,0,2]=4 717 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,1,1,0,0,0|0,0,2]=4 718 B8R0.25 C=CC(C)(C)OCCO 34a_100011215311_100000211926 [0,1,1,0,0,0|0,0,2]=4 719 B8R0.25 C=CC(C)(C)OCCO 7a_100011215311_100000211926 [0,1,1,0,0,0|0,0,2]=4 720 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,1,0,0,0,0|1,0,1]=4 721 B8R1.8 C=C=Cc1ccco1 271570a_100015277604_100009814098 [1,1,0,0,0,0|1,0,1]=4 722 B8R1.8 CC=Cc1ccco1 271570a_100016259895_100009814098 [1,1,0,0,0,0|1,0,1]=4 723 B8R1.8 CCSc1ccco1 62a_100000210202_100009814098 [1,1,0,0,0,0|1,0,0]=3 724 B8R1.8 CCSc1ccco1 62a_100009814098_100000210202 [1,1,0,0,0,0|1,0,0]=3 725 B8R1.8 CCSc1cccs1 62a_100000210202_100011215356 [1,1,0,0,0,0|1,1,0]=4 726 B8R1.8 CCSc1cccs1 62a_100011215356_100000210202 [1,1,0,0,0,0|1,1,0]=4 727 B8R1.8 CCSc1cnco1 62a_100000210202_100020591547 [1,1,0,0,0,0|2,0,0]=4 728 B8R1.8 CCSc1cnco1 62a_100020591547_100000210202 [1,1,0,0,0,0|2,0,0]=4 729 B8R1.8 CCSc1ncco1 62a_100000210202_100011787736 [1,1,0,0,0,0|2,0,0]=4 730 B8R1.8 CCSc1ncco1 62a_100011787736_100000210202 [1,1,0,0,0,0|2,0,0]=4 731 B8R1.8 CNCc1ccco1 207a_100102657272_100000186105 [1,1,0,0,0,0|1,0,0]=3 732 B8R1.8 CNCc1ccco1 2230a_100000185738_200000210301 [1,1,0,0,0,0|1,0,0]=3 733 B8R1.8 CNCc1ccco1 270004a_106832991635_100000186105 [1,1,0,0,0,0|1,0,0]=3 734 B8R1.8 CNCc1ccco1 34a_100000185738_200000210301 [1,1,0,0,0,0|1,0,0]=3 735 B8R1.8 CNCc1cccs1 207a_100102657272_100000209959 [1,1,0,0,0,0|1,1,0]=4 736 B8R1.8 CNCc1cccs1 2230a_100000211653_200000210301 [1,1,0,0,0,0|1,1,0]=4 737 B8R1.8 CNCc1cccs1 270004a_106832991635_100000209959 [1,1,0,0,0,0|1,1,0]=4 738 B8R1.8 CNCc1cnco1 270004a_106832991635_100000064291 [1,1,0,0,0,0|2,0,0]=4 739 B8R1.8 CNCc1ncco1 2230a_100016994969_200000210301 [1,1,0,0,0,0|2,0,0]=4 740 B8R1.8 CNCc1ncco1 2230a_106832991635_103436540062 [1,1,0,0,0,0|2,0,0]=4 741 B8R1.8 CNCc1ncco1 270004a_106832991635_100000064290 [1,1,0,0,0,0|2,0,0]=4 742 B8R1.8 CNCc1ncco1 34a_100102657272_103436540062 [1,1,0,0,0,0|2,0,0]=4 743 B8R1.8 CNCc1ncco1 7a_106832991635_103436540062 [1,1,0,0,0,0|2,0,0]=4 744 B8R1.8 COCc1c[nH]cn1 34a_100138415774_100000707719 [1,1,0,0,0,0|2,0,0]=4 745 B8R1.8 COCc1ccco1 34a_100000210059_200000210301 [1,1,0,0,0,0|0,0,0]=2 746 B8R1.8 COCc1cccs1 34a_100000211240_200000210301 [1,1,0,0,0,0|0,1,0]=3 747 B8R1.8 COCc1ccn[nH]1 34a_100138415774_100000728653 [1,1,0,0,0,0|2,0,0]=4 748 B8R1.8 COCc1ccno1 34a_100000740478_200000210301 [1,1,0,0,0,0|1,0,0]=3 749 B8R1.8 COCc1ccoc1 34a_100011215357_200000210301 [1,1,0,0,0,0|2,0,0]=4 750 B8R1.8 COCc1ccon1 34a_100138415774_100000234950 [1,1,0,0,0,0|2,0,0]=4 751 B8R1.8 COCc1ccsc1 34a_100011215551_200000210301 [1,1,0,0,0,0|2,0,0]=4 752 B8R1.8 COCc1ccsc1 34a_100138415774_100011261437 [1,1,0,0,0,0|2,0,0]=4 753 B8R1.8 COCc1cncs1 34a_100138415774_100015185245 [1,1,0,0,0,0|1,1,0]=4 754 B8R1.8 COCc1cscn1 34a_100138415774_100000205941 [1,1,0,0,0,0|2,0,0]=4 755 B8R1.8 COCc1ncc[nH]1 34a_100138415774_100016991755 [1,1,0,0,0,0|2,0,0]=4 756 B8R1.8 COCc1ncco1 34a_100000062594_200000210301 [1,1,0,0,0,0|1,0,0]=3 757 B8R1.8 COCc1ncco1 34a_100138415774_103436540062 [1,1,0,0,0,0|1,0,0]=3 758 B8R1.8 COCc1nccs1 34a_100138415774_100015184050 [1,1,0,0,0,0|1,1,0]=4 759 B8R1.8 COCn1cccn1 34a_100000731028_200000210301 [1,1,0,0,0,0|2,0,0]=4 760 B8R1.8 CSCc1ncco1 62a_103436540062_200000210301 [1,1,0,0,0,0|1,1,0]=4 761 B8R1.8 CSCc1ncco1 62a_200000210301_103436540062 [1,1,0,0,0,0|1,1,0]=4 762 B8R1.8 FCSc1ccco1 62a_100009814098_100015361967 [1,1,0,0,0,0|1,0,0]=3 763 B8R1.8 FCSc1ccco1 62a_100015361967_100009814098 [1,1,0,0,0,0|1,0,0]=3 764 B8R1.8 FCSc1cccs1 62a_100011215356_100015361967 [1,1,0,0,0,0|1,1,0]=4 765 B8R1.8 FCSc1cccs1 62a_100015361967_100011215356 [1,1,0,0,0,0|1,1,0]=4 766 B8R1.8 FCSc1cnco1 62a_100015361967_100020591547 [1,1,0,0,0,0|2,0,0]=4 767 B8R1.8 FCSc1cnco1 62a_100020591547_100015361967 [1,1,0,0,0,0|2,0,0]=4 768 B8R1.8 FCSc1ncco1 62a_100011787736_100015361967 [1,1,0,0,0,0|2,0,0]=4 769 B8R1.8 FCSc1ncco1 62a_100015361967_100011787736 [1,1,0,0,0,0|2,0,0]=4 770 B8R1.8 [13CH3]NCc1ccco1 2230a_100000185738_200025704644 [1,1,0,0,0,0|1,0,0]=3 771 B8R1.8 [13CH3]NCc1ccco1 34a_100000185738_200025704644 [1,1,0,0,0,0|1,0,0]=3 772 B8R1.8 [13CH3]NCc1cccs1 2230a_100000211653_200025704644 [1,1,0,0,0,0|1,1,0]=4 773 B8R1.8 [13CH3]NCc1ncco1 2230a_100016994969_200025704644 [1,1,0,0,0,0|2,0,0]=4 774 B8R1.8 [13CH3]OCc1ccco1 34a_100000210059_200025704644 [1,1,0,0,0,0|0,0,0]=2 775 B8R1.8 [13CH3]OCc1cccs1 34a_100000211240_200025704644 [1,1,0,0,0,0|0,1,0]=3 776 B8R1.8 [13CH3]OCc1ccno1 34a_100000740478_200025704644 [1,1,0,0,0,0|1,0,0]=3 777 B8R1.8 [13CH3]OCc1ccoc1 34a_100011215357_200025704644 [1,1,0,0,0,0|2,0,0]=4 778 B8R1.8 [13CH3]OCc1ccsc1 34a_100011215551_200025704644 [1,1,0,0,0,0|2,0,0]=4 779 B8R1.8 [13CH3]OCc1ncco1 34a_100000062594_200025704644 [1,1,0,0,0,0|1,0,0]=3 780 B8R1.8 [13CH3]OCn1cccn1 34a_100000731028_200025704644 [1,1,0,0,0,0|2,0,0]=4 781 B8R1.8 [13CH3]SCc1ncco1 62a_103436540062_200025704644 [1,1,0,0,0,0|1,1,0]=4 782 B8R1.8 [13CH3]SCc1ncco1 62a_200025704644_103436540062 [1,1,0,0,0,0|1,1,0]=4 783 B8R1.11 O=Cc1occc1O 271570a_203496583355_100000756499 [1,1,0,0,0,0|0,0,2]=4 784 B8R1.11 OCc1ccsc1O 271570a_203496583355_100009816922 [1,1,0,0,0,0|2,0,0]=4 785 B8R1.11 OCc1cscc1O 271570a_203496583355_100000724555 [1,1,0,0,0,0|2,0,0]=4 786 B8R1.11 OCc1sccc1O 271570a_203496583355_100000702026 [1,1,0,0,0,0|0,1,0]=3 787 B8R1.11 OCc1scnc1O 271570a_203496583355_100012000948 [1,1,0,0,0,0|1,1,0]=4 788 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [1,1,0,0,0,0|0,1,0]=3 789 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [1,1,0,0,0,0|0,1,0]=3 790 B8R1.18 Cc1cc(n(n1)C)O 271570a_203496583355_100009818511 [1,1,0,0,0,0|2,0,0]=4 791 B8R1.18 Cc1cc(nn1C)O 271570a_203496583355_100012001299 [1,1,0,0,0,0|2,0,0]=4 792 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [1,1,0,0,0,0|0,1,0]=3 793 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [1,1,0,0,0,0|2,0,0]=4 794 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [1,1,0,0,0,0|2,0,0]=4 795 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [1,1,0,0,0,0|1,1,0]=4 796 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [1,1,0,0,0,0|1,1,0]=4 797 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [1,1,0,0,0,0|2,0,0]=4 798 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [1,1,0,0,0,0|1,1,0]=4 799 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [1,1,0,0,0,0|2,0,0]=4 800 B8R1.18 Cn1nc(cc1N)O 271570a_203496583355_100000734454 [1,1,0,0,0,0|2,0,0]=4 801 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [1,1,0,0,0,0|2,0,0]=4 802 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [1,1,0,0,0,0|2,0,0]=4 803 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [0,1,0,0,0,1|2,0,0]=4 805 B10R1.1 CCNc1ccc(nn1)C 27a_100015525214_100000744512 [0,1,0,0,0,1|2,0,0]=4 806 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [0,1,0,0,0,1|2,0,0]=4 807 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [0,1,0,0,0,1|2,0,0]=4 808 B10R1.1 CCOc1ccc(cn1)C 34a_100000759353_100000210202 [0,1,0,0,0,1|2,0,0]=4 809 B10R1.1 CCOc1ccc(nc1)C 34a_100000745506_100000210202 [0,1,0,0,0,1|2,0,0]=4 810 B10R1.1 CCOc1ccc(nc1)C 7a_100000745506_100000210202 [0,1,0,0,0,1|2,0,0]=4 811 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [0,1,0,0,0,1|2,0,0]=4 812 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [0,1,0,0,0,1|2,0,0]=4 813 B10R1.1 CCSc1ccc(cn1)C 62a_100000210202_100000754016 [0,1,0,0,0,1|2,0,0]=4 814 B10R1.1 CCSc1ccc(cn1)C 62a_100011192072_100000210202 [0,1,0,0,0,1|2,0,0]=4 815 B10R1.1 CCSc1ccc(nc1)C 62a_100000210202_100000751577 [0,1,0,0,0,1|2,0,0]=4 816 B10R1.1 CCSc1ccc(nc1)C 62a_100000751577_100000210202 [0,1,0,0,0,1|2,0,0]=4 817 B10R1.1 CCSc1ccc(nn1)C 62a_100000210202_100000744512 [0,1,0,0,0,1|2,0,0]=4 818 B10R1.1 CCSc1ccc(nn1)C 62a_100000744512_100000210202 [0,1,0,0,0,1|2,0,0]=4 819 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [0,1,0,0,0,1|2,0,0]=4 820 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [0,1,0,0,0,1|2,0,0]=4 821 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [0,1,0,0,0,1|2,0,0]=4 822 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [0,1,0,0,0,1|2,0,0]=4 823 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [0,1,0,0,0,1|2,0,0]=4 824 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [0,1,0,0,0,1|2,0,0]=4 825 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [0,1,0,0,0,1|2,0,0]=4 826 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [0,1,0,0,0,1|2,0,0]=4 827 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [0,1,0,0,0,1|2,0,0]=4 828 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [0,1,0,0,0,1|2,0,0]=4 829 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [0,1,0,0,0,1|2,0,0]=4 830 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [0,1,0,0,0,1|2,0,0]=4 831 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [0,1,0,0,0,1|2,0,0]=4 832 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [0,1,0,0,0,1|2,0,0]=4 833 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [0,1,0,0,0,1|2,0,0]=4 834 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [0,1,0,0,0,1|2,0,0]=4 835 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [0,1,0,0,0,1|2,0,0]=4 836 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [0,1,0,0,0,1|2,0,0]=4 837 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [0,1,0,0,0,1|2,0,0]=4 838 B10R1.1 COCc1cc[n+](cc1)C 34a_100009831711_200000210301 [0,1,0,0,0,1|2,0,0]=4 839 B10R1.1 COCc1ccc(=O)[nH]c1 34a_100011999846_200000210301 [0,1,0,0,0,1|2,0,0]=4 840 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [0,1,0,0,0,1|2,0,0]=4 841 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [0,1,0,0,0,1|2,0,0]=4 842 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [0,1,0,0,0,1|1,0,0]=3 843 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [0,1,0,0,0,1|1,0,0]=3 844 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [0,1,0,0,0,1|1,0,0]=3 845 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [0,1,0,0,0,1|2,0,0]=4 846 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [0,1,0,0,0,1|2,0,0]=4 847 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [0,1,0,0,0,1|2,0,0]=4 848 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [0,1,0,0,0,1|2,0,0]=4 849 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [0,1,0,0,0,1|2,0,0]=4 850 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [0,1,0,0,0,1|2,0,0]=4 851 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [0,1,0,0,0,1|2,0,0]=4 852 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [0,1,0,0,0,1|2,0,0]=4 853 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [0,1,0,0,0,1|2,0,0]=4 854 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [0,1,0,0,0,1|2,0,0]=4 855 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [0,1,0,0,0,1|2,0,0]=4 856 B10R1.1 COCc1ccc(cn1)Br 34a_100000754261_200000210301 [0,1,0,0,0,1|2,0,0]=4 857 B10R1.1 COCc1ccc(cn1)Br 34a_100138415774_100000702658 [0,1,0,0,0,1|2,0,0]=4 858 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [0,1,0,0,0,1|1,0,0]=3 859 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [0,1,0,0,0,1|1,0,0]=3 860 B10R1.1 COCc1ccc(cn1)Cl 34a_100000703999_200000210301 [0,1,0,0,0,1|2,0,0]=4 861 B10R1.1 COCc1ccc(cn1)Cl 34a_100138415774_100012066911 [0,1,0,0,0,1|2,0,0]=4 862 B10R1.1 COCc1ccc(cn1)F 34a_100011999454_200000210301 [0,1,0,0,0,1|2,0,0]=4 863 B10R1.1 COCc1ccc(cn1)F 34a_100138415774_100000703193 [0,1,0,0,0,1|2,0,0]=4 864 B10R1.1 COCc1ccc(cn1)N 34a_100011998161_200000210301 [0,1,0,0,0,1|2,0,0]=4 865 B10R1.1 COCc1ccc(nc1)Br 34a_100009816760_200000210301 [0,1,0,0,0,1|2,0,0]=4 866 B10R1.1 COCc1ccc(nc1)Br 34a_100138415774_100009831999 [0,1,0,0,0,1|2,0,0]=4 867 B10R1.1 COCc1ccc(nc1)Br 7a_100009816760_200000210301 [0,1,0,0,0,1|2,0,0]=4 868 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [0,1,0,0,0,1|1,0,0]=3 869 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [0,1,0,0,0,1|1,0,0]=3 870 B10R1.1 COCc1ccc(nc1)Cl 34a_100000755211_200000210301 [0,1,0,0,0,1|2,0,0]=4 871 B10R1.1 COCc1ccc(nc1)Cl 34a_100138415774_100000735431 [0,1,0,0,0,1|2,0,0]=4 872 B10R1.1 COCc1ccc(nc1)Cl 7a_100000755211_200000210301 [0,1,0,0,0,1|2,0,0]=4 873 B10R1.1 COCc1ccc(nc1)F 34a_100000079959_200000210301 [0,1,0,0,0,1|2,0,0]=4 874 B10R1.1 COCc1ccc(nc1)F 34a_100138415774_100000099788 [0,1,0,0,0,1|2,0,0]=4 875 B10R1.1 COCc1ccc(nc1)N 34a_100000704267_200000210301 [0,1,0,0,0,1|2,0,0]=4 876 B10R1.1 COCc1ccc(nn1)Cl 34a_100138415774_100016992710 [0,1,0,0,0,1|2,0,0]=4 877 B10R1.1 COCc1cnc(cn1)C 34a_100011273949_200000210301 [0,1,0,0,0,1|2,0,0]=4 878 B10R1.1 COCc1cnc(nc1)C 34a_100011746891_200000210301 [0,1,0,0,0,1|2,0,0]=4 879 B10R1.1 COCc1ncc(cn1)C 34a_100138415774_100000685645 [0,1,0,0,0,1|2,0,0]=4 880 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [0,1,0,0,0,1|1,1,0]=4 881 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [0,1,0,0,0,1|1,1,0]=4 882 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [0,1,0,0,0,1|1,1,0]=4 883 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [0,1,0,0,0,1|1,1,0]=4 884 B10R1.1 CSCc1ccc(nc1)C 62a_100016987292_200000210301 [0,1,0,0,0,1|1,1,0]=4 885 B10R1.1 CSCc1ccc(nc1)C 62a_200000210301_100016987292 [0,1,0,0,0,1|1,1,0]=4 886 B10R1.1 C[n+]1ccc(cc1)CO[13CH3] 34a_100009831711_200025704644 [0,1,0,0,0,1|2,0,0]=4 887 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [0,1,0,0,0,1|2,0,0]=4 888 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [0,1,0,0,0,1|2,0,0]=4 889 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [0,1,0,0,0,1|1,0,0]=3 890 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [0,1,0,0,0,1|1,0,0]=3 891 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [0,1,0,0,0,1|1,1,0]=4 892 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [0,1,0,0,0,1|1,1,0]=4 893 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [0,1,0,0,0,1|2,0,0]=4 894 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [0,1,0,0,0,1|2,0,0]=4 895 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [0,1,0,0,0,1|2,0,0]=4 896 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [0,1,0,0,0,1|2,0,0]=4 897 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [0,1,0,0,0,1|2,0,0]=4 898 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [0,1,0,0,0,1|2,0,0]=4 899 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [0,1,0,0,0,1|1,0,0]=3 900 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_100016987292_200025704644 [0,1,0,0,0,1|1,1,0]=4 901 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_200025704644_100016987292 [0,1,0,0,0,1|1,1,0]=4 902 B10R1.1 Cc1ccc(cn1)OCF 34a_100000745506_100015361967 [0,1,0,0,0,1|2,0,0]=4 903 B10R1.1 Cc1ccc(cn1)OCF 7a_100000745506_100015361967 [0,1,0,0,0,1|2,0,0]=4 904 B10R1.1 Cc1ccc(cn1)SCF 62a_100000751577_100015361967 [0,1,0,0,0,1|2,0,0]=4 905 B10R1.1 Cc1ccc(cn1)SCF 62a_100015361967_100000751577 [0,1,0,0,0,1|2,0,0]=4 906 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [0,1,0,0,0,1|2,0,0]=4 907 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [0,1,0,0,0,1|1,0,0]=3 908 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [0,1,0,0,0,1|1,1,0]=4 909 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [0,1,0,0,0,1|1,1,0]=4 910 B10R1.1 Cc1ccc(nc1)OCF 34a_100000759353_100015361967 [0,1,0,0,0,1|2,0,0]=4 911 B10R1.1 Cc1ccc(nc1)SCF 62a_100011192072_100015361967 [0,1,0,0,0,1|2,0,0]=4 912 B10R1.1 Cc1ccc(nc1)SCF 62a_100015361967_100000754016 [0,1,0,0,0,1|2,0,0]=4 913 B10R1.1 Cc1ccc(nn1)SCF 62a_100000744512_100015361967 [0,1,0,0,0,1|2,0,0]=4 914 B10R1.1 Cc1ccc(nn1)SCF 62a_100015361967_100000744512 [0,1,0,0,0,1|2,0,0]=4 915 B10R1.1 Cc1cnc(cn1)CO[13CH3] 34a_100011273949_200025704644 [0,1,0,0,0,1|2,0,0]=4 916 B10R1.1 Cc1ncc(cn1)CO[13CH3] 34a_100011746891_200025704644 [0,1,0,0,0,1|2,0,0]=4 917 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [0,1,0,0,0,1|2,0,0]=4 918 B10R1.1 OCCc1ccc(cn1)O 271570a_203496583355_100012357577 [0,1,0,0,0,1|2,0,0]=4 919 B10R1.1 OCCc1ccc(nc1)O 271570a_203496583355_100009880866 [0,1,0,0,0,1|2,0,0]=4 920 B10R1.1 [13CH3]OCc1ccc(=O)[nH]c1 34a_100011999846_200025704644 [0,1,0,0,0,1|2,0,0]=4 921 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [0,1,0,0,0,1|2,0,0]=4 922 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [0,1,0,0,0,1|2,0,0]=4 923 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [0,1,0,0,0,1|2,0,0]=4 924 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [0,1,0,0,0,1|2,0,0]=4 925 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [0,1,0,0,0,1|2,0,0]=4 926 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [0,1,0,0,0,1|2,0,0]=4 927 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [0,1,0,0,0,1|2,0,0]=4 928 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [0,1,0,0,0,1|2,0,0]=4 929 B10R1.1 [13CH3]OCc1ccc(cn1)Br 34a_100000754261_200025704644 [0,1,0,0,0,1|2,0,0]=4 930 B10R1.1 [13CH3]OCc1ccc(cn1)Cl 34a_100000703999_200025704644 [0,1,0,0,0,1|2,0,0]=4 931 B10R1.1 [13CH3]OCc1ccc(cn1)F 34a_100011999454_200025704644 [0,1,0,0,0,1|2,0,0]=4 932 B10R1.1 [13CH3]OCc1ccc(cn1)N 34a_100011998161_200025704644 [0,1,0,0,0,1|2,0,0]=4 933 B10R1.1 [13CH3]OCc1ccc(nc1)Br 34a_100009816760_200025704644 [0,1,0,0,0,1|2,0,0]=4 934 B10R1.1 [13CH3]OCc1ccc(nc1)Br 7a_100009816760_200025704644 [0,1,0,0,0,1|2,0,0]=4 935 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 34a_100000755211_200025704644 [0,1,0,0,0,1|2,0,0]=4 936 B10R1.1 [13CH3]OCc1ccc(nc1)Cl 7a_100000755211_200025704644 [0,1,0,0,0,1|2,0,0]=4 937 B10R1.1 [13CH3]OCc1ccc(nc1)F 34a_100000079959_200025704644 [0,1,0,0,0,1|2,0,0]=4 938 B10R1.1 [13CH3]OCc1ccc(nc1)N 34a_100000704267_200025704644 [0,1,0,0,0,1|2,0,0]=4 939 B10R1.3 C=Cc1ccc(cc1)CO 271570a_100011290941_100000690907 [0,1,0,0,0,1|1,0,1]=4 940 B10R1.3 C=Cc1ccc(cn1)CO 271570a_100011290941_100009816760 [0,1,0,0,0,1|1,0,1]=4 941 B10R1.3 C=Cc1ccc(nc1)CO 271570a_100011290941_100000754261 [0,1,0,0,0,1|1,0,1]=4 942 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [0,1,0,0,0,1|2,0,0]=4 943 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [0,1,0,0,0,1|2,0,0]=4 944 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [0,1,0,0,0,1|2,0,0]=4 945 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [0,1,0,0,0,1|2,0,0]=4 946 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [0,1,0,0,0,1|2,0,0]=4 947 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [0,1,0,0,0,1|2,0,0]=4 948 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [0,1,0,0,0,1|2,0,0]=4 949 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [0,1,0,0,0,1|2,0,0]=4 950 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [0,1,0,0,0,1|2,0,0]=4 951 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [0,1,0,0,0,1|2,0,0]=4 952 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [0,1,0,0,0,1|2,0,0]=4 953 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [0,1,0,0,0,1|2,0,0]=4 954 B10R1.3 CCc1ccc(cn1)SC 62a_100009820025_200000210301 [0,1,0,0,0,1|2,0,0]=4 955 B10R1.3 CCc1ccc(cn1)SC 62a_200000210301_100009820025 [0,1,0,0,0,1|2,0,0]=4 956 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_100009820025_200025704644 [0,1,0,0,0,1|2,0,0]=4 957 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_200025704644_100009820025 [0,1,0,0,0,1|2,0,0]=4 958 B10R1.3 CCc1ccc(nc1)SC 62a_100009843584_200000210301 [0,1,0,0,0,1|2,0,0]=4 959 B10R1.3 CCc1ccc(nc1)SC 62a_200000210301_100009843584 [0,1,0,0,0,1|2,0,0]=4 960 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_100009843584_200025704644 [0,1,0,0,0,1|2,0,0]=4 961 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_200025704644_100009843584 [0,1,0,0,0,1|2,0,0]=4 962 B10R1.3 CNc1ccc(cc1)CO 2230a_100011215238_200000210301 [0,1,0,0,0,1|1,0,0]=3 963 B10R1.3 CNc1ccc(cc1)CO 34a_100011215238_200000210301 [0,1,0,0,0,1|1,0,0]=3 964 B10R1.3 CNc1cnc(cn1)CO 27a_100102657272_100012002382 [0,1,0,0,0,1|2,0,0]=4 965 B10R1.3 CNc1ncc(cn1)CO 27a_100102657272_100009855073 [0,1,0,0,0,1|2,0,0]=4 966 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [0,1,0,0,0,1|2,0,0]=4 967 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [0,1,0,0,0,1|1,0,0]=3 968 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [0,1,0,0,0,1|2,0,0]=4 969 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [0,1,0,0,0,1|2,0,0]=4 970 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [0,1,0,0,0,1|1,0,0]=3 971 B10R1.3 CSc1ccc(cc1)CF 62a_100010268989_200000210301 [0,1,0,0,0,1|2,0,0]=4 972 B10R1.3 CSc1ccc(cc1)CF 62a_200000210301_100010268989 [0,1,0,0,0,1|2,0,0]=4 973 B10R1.3 CSc1ccc(cc1)CN 62a_100016989417_200000210301 [0,1,0,0,0,1|2,0,0]=4 974 B10R1.3 CSc1ccc(cc1)CN 62a_200000210301_100016989417 [0,1,0,0,0,1|2,0,0]=4 975 B10R1.3 CSc1ccc(cc1)CO 62a_100000690907_200000210301 [0,1,0,0,0,1|1,0,0]=3 976 B10R1.3 CSc1ccc(cc1)CO 62a_200000210301_100000690907 [0,1,0,0,0,1|1,0,0]=3 977 B10R1.3 CSc1ccc(cn1)CN 62a_100000735879_200000210301 [0,1,0,0,0,1|2,0,0]=4 978 B10R1.3 CSc1ccc(cn1)CN 62a_200000210301_100000735879 [0,1,0,0,0,1|2,0,0]=4 979 B10R1.3 CSc1ccc(cn1)CO 62a_100009816760_200000210301 [0,1,0,0,0,1|1,0,0]=3 980 B10R1.3 CSc1ccc(cn1)CO 62a_200000210301_100009816760 [0,1,0,0,0,1|1,0,0]=3 981 B10R1.3 CSc1ccc(nc1)CN 62a_100015188789_200000210301 [0,1,0,0,0,1|2,0,0]=4 982 B10R1.3 CSc1ccc(nc1)CN 62a_200000210301_100015188789 [0,1,0,0,0,1|2,0,0]=4 983 B10R1.3 CSc1ccc(nc1)CO 62a_100000754261_200000210301 [0,1,0,0,0,1|1,0,0]=3 984 B10R1.3 CSc1ccc(nc1)CO 62a_200000210301_100000754261 [0,1,0,0,0,1|1,0,0]=3 985 B10R1.3 CSc1cnc(cn1)CO 62a_100012002382_200000210301 [0,1,0,0,0,1|2,0,0]=4 986 B10R1.3 CSc1cnc(cn1)CO 62a_200000210301_100012002382 [0,1,0,0,0,1|2,0,0]=4 987 B10R1.3 CSc1cnc(nc1)CO 62a_100009867226_200000210301 [0,1,0,0,0,1|2,0,0]=4 988 B10R1.3 CSc1cnc(nc1)CO 62a_200000210301_100009867226 [0,1,0,0,0,1|2,0,0]=4 989 B10R1.3 CSc1ncc(cn1)CO 62a_100009855073_200000210301 [0,1,0,0,0,1|2,0,0]=4 990 B10R1.3 CSc1ncc(cn1)CO 62a_200000210301_100009855073 [0,1,0,0,0,1|2,0,0]=4 991 B10R1.3 [13CH3]Nc1ccc(cc1)CO 2230a_100011215238_200025704644 [0,1,0,0,0,1|1,0,0]=3 992 B10R1.3 [13CH3]Nc1ccc(cc1)CO 34a_100011215238_200025704644 [0,1,0,0,0,1|1,0,0]=3 993 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [0,1,0,0,0,1|2,0,0]=4 994 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [0,1,0,0,0,1|1,0,0]=3 995 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [0,1,0,0,0,1|2,0,0]=4 996 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [0,1,0,0,0,1|2,0,0]=4 997 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [0,1,0,0,0,1|1,0,0]=3 998 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_100010268989_200025704644 [0,1,0,0,0,1|2,0,0]=4 999 B10R1.3 [13CH3]Sc1ccc(cc1)CF 62a_200025704644_100010268989 [0,1,0,0,0,1|2,0,0]=4 1000 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_100016989417_200025704644 [0,1,0,0,0,1|2,0,0]=4 1001 B10R1.3 [13CH3]Sc1ccc(cc1)CN 62a_200025704644_100016989417 [0,1,0,0,0,1|2,0,0]=4 1002 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_100000690907_200025704644 [0,1,0,0,0,1|1,0,0]=3 1003 B10R1.3 [13CH3]Sc1ccc(cc1)CO 62a_200025704644_100000690907 [0,1,0,0,0,1|1,0,0]=3 1004 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_100000735879_200025704644 [0,1,0,0,0,1|2,0,0]=4 1005 B10R1.3 [13CH3]Sc1ccc(cn1)CN 62a_200025704644_100000735879 [0,1,0,0,0,1|2,0,0]=4 1006 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_100009816760_200025704644 [0,1,0,0,0,1|1,0,0]=3 1007 B10R1.3 [13CH3]Sc1ccc(cn1)CO 62a_200025704644_100009816760 [0,1,0,0,0,1|1,0,0]=3 1008 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_100015188789_200025704644 [0,1,0,0,0,1|2,0,0]=4 1009 B10R1.3 [13CH3]Sc1ccc(nc1)CN 62a_200025704644_100015188789 [0,1,0,0,0,1|2,0,0]=4 1010 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_100000754261_200025704644 [0,1,0,0,0,1|1,0,0]=3 1011 B10R1.3 [13CH3]Sc1ccc(nc1)CO 62a_200025704644_100000754261 [0,1,0,0,0,1|1,0,0]=3 1012 B10R1.3 [13CH3]Sc1cnc(cn1)CO 62a_100012002382_200025704644 [0,1,0,0,0,1|2,0,0]=4 1013 B10R1.3 [13CH3]Sc1cnc(cn1)CO 62a_200025704644_100012002382 [0,1,0,0,0,1|2,0,0]=4 1014 B10R1.3 [13CH3]Sc1cnc(nc1)CO 62a_100009867226_200025704644 [0,1,0,0,0,1|2,0,0]=4 1015 B10R1.3 [13CH3]Sc1cnc(nc1)CO 62a_200025704644_100009867226 [0,1,0,0,0,1|2,0,0]=4 1016 B10R1.3 [13CH3]Sc1ncc(cn1)CO 62a_100009855073_200025704644 [0,1,0,0,0,1|2,0,0]=4 1017 B10R1.3 [13CH3]Sc1ncc(cn1)CO 62a_200025704644_100009855073 [0,1,0,0,0,1|2,0,0]=4 1018 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,1,0,0,0,1|2,0,0]=4 1019 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,1,0,0,0,1|2,0,0]=4 1020 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [0,1,0,0,0,1|2,0,0]=4 1021 B10R1.25 CCc1cnc(cc1O)C 271570a_203496583355_100010291839 [0,1,0,0,0,1|2,0,0]=4 1022 B10R1.25 COc1coc(cc1=O)C 34a_100000081520_200000210301 [0,1,0,0,0,1|2,0,0]=4 1023 B10R1.25 Cc1cc(=O)c(co1)O[13CH3] 34a_100000081520_200025704644 [0,1,0,0,0,1|2,0,0]=4 1024 B10R1.25 Cc1cc(ccc1CO)O 271570a_203496583355_100000748258 [0,1,0,0,0,1|2,0,0]=4 1025 B10R1.25 Cc1cc(cnc1CO)O 271570a_203496583355_100010116297 [0,1,0,0,0,1|2,0,0]=4 1026 B10R1.25 Cc1cc(ncc1CO)O 271570a_203496583355_100010277336 [0,1,0,0,0,1|2,0,0]=4 1027 B10R1.25 Cc1ccc(c(n1)O)CO 271570a_203496583355_102495338573 [0,1,0,0,0,1|1,0,0]=3 1028 B10R1.25 Nc1cc(ccc1CO)O 271570a_203496583355_100000718831 [0,1,0,0,0,1|2,0,0]=4 1029 B10R1.25 Nc1cc(ncc1CO)O 271570a_203496583355_100009830438 [0,1,0,0,0,1|2,0,0]=4 1030 B10R1.25 OCc1ccc(cc1Br)O 271570a_203496583355_100010240206 [0,1,0,0,0,1|2,0,0]=4 1031 B10R1.25 OCc1ccc(cc1F)O 271570a_203496583355_100011191541 [0,1,0,0,0,1|2,0,0]=4 1032 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [0,1,0,0,0,1|2,0,0]=4 1033 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [0,1,0,0,0,1|2,0,0]=4 1034 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [0,1,0,0,0,1|2,0,0]=4 1035 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [0,1,0,0,0,1|2,0,0]=4 1036 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [0,1,0,0,0,1|2,0,0]=4 1037 B10R1.25 OCc1ccc(nc1F)O 271570a_203496583355_100009870654 [0,1,0,0,0,1|2,0,0]=4 1038 B10R1.25 OCc1ncc(cc1F)O 271570a_203496583355_100010065252 [0,1,0,0,0,1|2,0,0]=4 1039 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [0,1,0,0,0,1|2,0,0]=4 1040 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [0,1,0,0,0,1|2,0,0]=4 1041 B10R1.176 Cc1cc(ncc1O)CO 271570a_203496583355_200010713146 [0,1,0,0,0,1|2,0,0]=4 1042 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [0,1,0,0,0,1|1,0,0]=3 1043 B10R1.176 Cc1cnc(cc1O)CO 271570a_203496583355_100010113723 [0,1,0,0,0,1|1,0,0]=3 1044 B10R1.176 Cc1nc(ccc1O)CO 271570a_203496583355_100010114280 [0,1,0,0,0,1|2,0,0]=4 1045 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [0,1,0,0,0,1|2,0,0]=4 1046 B10R1.176 Nc1ncc(cc1O)CO 271570a_203496583355_100012343677 [0,1,0,0,0,1|2,0,0]=4 1047 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [0,1,0,0,0,1|2,0,0]=4 1048 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [0,1,0,0,0,1|2,0,0]=4 1049 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [0,1,0,0,0,1|2,0,0]=4 1050 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [0,1,0,0,0,1|2,0,0]=4 1051 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [0,1,0,0,0,1|2,0,0]=4 1052 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [0,1,0,0,0,1|2,0,0]=4 1053 B10R1.176 OCc1cnc(c(c1)F)O 271570a_203496583355_100010065243 [0,1,0,0,0,1|2,0,0]=4 1054 B10R1.176 OCc1cnc(c(c1)O)Cl 271570a_203496583355_200015217190 [0,1,0,0,0,1|2,0,0]=4 1055 B10R1.2 CCc1cccc(c1O)C 271570a_203496583355_100000036235 [0,1,0,0,0,1|2,0,0]=4 1056 B10R1.2 Cc1c(cccc1CO)O 271570a_203496583355_100000694458 [0,1,0,0,0,1|2,0,0]=4 1057 B10R1.2 Cc1cccc(c1O)CO 271570a_203496583355_100011659289 [0,1,0,0,0,1|1,0,0]=3 1058 B10R1.2 Nc1c(cccc1CO)O 271570a_203496583355_100012349457 [0,1,0,0,0,1|2,0,0]=4 1059 B10R1.2 Nc1c(cncc1CO)O 271570a_203496583355_200010988789 [0,1,0,0,0,1|2,0,0]=4 1060 B10R1.2 OCc1cccc(c1Br)O 271570a_203496583355_100010240205 [0,1,0,0,0,1|2,0,0]=4 1061 B10R1.2 OCc1cccc(c1F)O 271570a_203496583355_100011935076 [0,1,0,0,0,1|2,0,0]=4 1062 B10R1.2 OCc1cccc(c1O)Br 271570a_203496583355_100010146604 [0,1,0,0,0,1|2,0,0]=4 1063 B10R1.2 OCc1cccc(c1O)F 271570a_203496583355_100000692438 [0,1,0,0,0,1|2,0,0]=4 1064 B10R1.2 OCc1ccnc(c1F)O 271570a_203496583355_100000101314 [0,1,0,0,0,1|2,0,0]=4 1065 B10R1.8 CCc1cc(nc(n1)C)O 271570a_203496583355_100000761995 [0,1,0,0,0,1|2,0,0]=4 1066 B10R1.8 CCc1nc(cc(n1)O)C 271570a_203496583355_100000687827 [0,1,0,0,0,1|2,0,0]=4 1067 B10R1.8 COc1cc(=O)cc(o1)C 34a_100016989201_200000210301 [0,1,0,0,0,1|2,0,0]=4 1068 B10R1.8 Cc1cc(=O)cc(o1)O[13CH3] 34a_100016989201_200025704644 [0,1,0,0,0,1|2,0,0]=4 1069 B10R1.8 Cc1cc(cc(c1)CO)O 271570a_203496583355_100000720511 [0,1,0,0,0,1|1,0,0]=3 1070 B10R1.8 Cc1cc(cc(n1)CN)O 271570a_203496583355_100010178683 [0,1,0,0,0,1|2,0,0]=4 1071 B10R1.8 Cc1cc(cc(n1)CO)O 271570a_203496583355_100010178681 [0,1,0,0,0,1|1,0,0]=3 1072 B10R1.8 Cc1cc(nc(c1)CO)O 271570a_203496583355_100000725198 [0,1,0,0,0,1|1,0,0]=3 1073 B10R1.8 OCc1cc(cc(c1)Br)O 271570a_203496583355_100009814756 [0,1,0,0,0,1|2,0,0]=4 1074 B10R1.8 OCc1cc(cc(c1)F)O 271570a_203496583355_100000766897 [0,1,0,0,0,1|2,0,0]=4 1075 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [0,1,0,0,0,1|2,0,0]=4 1076 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [0,1,0,0,0,1|2,0,0]=4 1077 B10R1.10 CCNc1ccnc(c1)C 27a_100015525214_100000758586 [0,1,0,0,0,1|2,0,0]=4 1078 B10R1.10 CCNc1ccnc(n1)C 27a_100015525214_100000749937 [0,1,0,0,0,1|2,0,0]=4 1079 B10R1.10 CCNc1cncc(n1)C 27a_100015525214_100000754123 [0,1,0,0,0,1|2,0,0]=4 1080 B10R1.10 CCNc1nccc(n1)C 27a_100015525214_100000750684 [0,1,0,0,0,1|2,0,0]=4 1081 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [0,1,0,0,0,1|2,0,0]=4 1082 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [0,1,0,0,0,1|2,0,0]=4 1083 B10R1.10 CCOc1ccnc(c1)C 34a_100000688365_100000210202 [0,1,0,0,0,1|2,0,0]=4 1084 B10R1.10 CCOc1cncc(c1)C 34a_100011830280_100000210202 [0,1,0,0,0,1|2,0,0]=4 1085 B10R1.10 CCOc1cncc(c1)C 7a_100011830280_100000210202 [0,1,0,0,0,1|2,0,0]=4 1086 B10R1.10 CCSc1cc(ccn1)C 62a_100000210202_100000750283 [0,1,0,0,0,1|2,0,0]=4 1087 B10R1.10 CCSc1cc(ccn1)C 62a_100000750283_100000210202 [0,1,0,0,0,1|2,0,0]=4 1088 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [0,1,0,0,0,1|2,0,0]=4 1089 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [0,1,0,0,0,1|2,0,0]=4 1090 B10R1.10 CCSc1cccc(n1)C 62a_100000210202_100000742759 [0,1,0,0,0,1|2,0,0]=4 1091 B10R1.10 CCSc1cccc(n1)C 62a_100000742759_100000210202 [0,1,0,0,0,1|2,0,0]=4 1092 B10R1.10 CCSc1ccnc(c1)C 62a_100000210202_100000758586 [0,1,0,0,0,1|2,0,0]=4 1093 B10R1.10 CCSc1ccnc(c1)C 62a_100000758586_100000210202 [0,1,0,0,0,1|2,0,0]=4 1094 B10R1.10 CCSc1ccnc(n1)C 62a_100000210202_100000749937 [0,1,0,0,0,1|2,0,0]=4 1095 B10R1.10 CCSc1ccnc(n1)C 62a_100000749937_100000210202 [0,1,0,0,0,1|2,0,0]=4 1096 B10R1.10 CCSc1cncc(c1)C 62a_100000210202_100000760492 [0,1,0,0,0,1|2,0,0]=4 1097 B10R1.10 CCSc1cncc(c1)C 62a_100000760492_100000210202 [0,1,0,0,0,1|2,0,0]=4 1098 B10R1.10 CCSc1cncc(n1)C 62a_100000210202_100000754123 [0,1,0,0,0,1|2,0,0]=4 1099 B10R1.10 CCSc1cncc(n1)C 62a_100000754123_100000210202 [0,1,0,0,0,1|2,0,0]=4 1100 B10R1.10 CCSc1nccc(n1)C 62a_100000210202_100011243806 [0,1,0,0,0,1|2,0,0]=4 1101 B10R1.10 CCSc1nccc(n1)C 62a_100011243806_100000210202 [0,1,0,0,0,1|2,0,0]=4 1102 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [0,1,0,0,0,1|2,0,0]=4 1103 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [0,1,0,0,0,1|2,0,0]=4 1104 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [0,1,0,0,0,1|2,0,0]=4 1105 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [0,1,0,0,0,1|2,0,0]=4 1106 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [0,1,0,0,0,1|2,0,0]=4 1107 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [0,1,0,0,0,1|2,0,0]=4 1108 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [0,1,0,0,0,1|2,0,0]=4 1109 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [0,1,0,0,0,1|2,0,0]=4 1110 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [0,1,0,0,0,1|2,0,0]=4 1111 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [0,1,0,0,0,1|2,0,0]=4 1112 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [0,1,0,0,0,1|2,0,0]=4 1113 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [0,1,0,0,0,1|2,0,0]=4 1114 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [0,1,0,0,0,1|2,0,0]=4 1115 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [0,1,0,0,0,1|2,0,0]=4 1116 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [0,1,0,0,0,1|2,0,0]=4 1117 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [0,1,0,0,0,1|2,0,0]=4 1118 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [0,1,0,0,0,1|2,0,0]=4 1119 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [0,1,0,0,0,1|2,0,0]=4 1120 B10R1.10 CNCc1ccnc(c1)C 207a_100102657272_100011361630 [0,1,0,0,0,1|2,0,0]=4 1121 B10R1.10 CNCc1ccnc(c1)C 2230a_106832991635_200020672517 [0,1,0,0,0,1|2,0,0]=4 1122 B10R1.10 CNCc1ccnc(c1)C 270004a_106832991635_100011361630 [0,1,0,0,0,1|2,0,0]=4 1123 B10R1.10 CNCc1ccnc(c1)C 34a_100011934566_200000210301 [0,1,0,0,0,1|2,0,0]=4 1124 B10R1.10 CNCc1ccnc(c1)C 34a_100102657272_200020672517 [0,1,0,0,0,1|2,0,0]=4 1125 B10R1.10 CNCc1ccnc(c1)C 7a_106832991635_200020672517 [0,1,0,0,0,1|2,0,0]=4 1126 B10R1.10 CNCc1ccnc(n1)C 270004a_106832991635_100011361539 [0,1,0,0,0,1|2,0,0]=4 1127 B10R1.10 CNCc1cncc(c1)C 207a_100102657272_100011998712 [0,1,0,0,0,1|2,0,0]=4 1128 B10R1.10 CNCc1cncc(c1)C 2230a_100000692839_200000210301 [0,1,0,0,0,1|2,0,0]=4 1129 B10R1.10 CNCc1cncc(c1)C 2230a_106832991635_100000716715 [0,1,0,0,0,1|2,0,0]=4 1130 B10R1.10 CNCc1cncc(c1)C 270004a_106832991635_100011998712 [0,1,0,0,0,1|2,0,0]=4 1131 B10R1.10 CNCc1cncc(c1)C 34a_100000692839_200000210301 [0,1,0,0,0,1|2,0,0]=4 1132 B10R1.10 CNCc1cncc(c1)C 34a_100102657272_100000716715 [0,1,0,0,0,1|2,0,0]=4 1133 B10R1.10 CNCc1cncc(c1)C 7a_106832991635_100000716715 [0,1,0,0,0,1|2,0,0]=4 1134 B10R1.10 CNCc1cncc(n1)C 207a_100102657272_100000100294 [0,1,0,0,0,1|2,0,0]=4 1135 B10R1.10 CNCc1cncc(n1)C 270004a_106832991635_100000100294 [0,1,0,0,0,1|2,0,0]=4 1136 B10R1.10 CNCc1nccc(n1)C 2230a_100015186494_200000210301 [0,1,0,0,0,1|2,0,0]=4 1137 B10R1.10 COCc1cc(ccn1)Br 34a_100138415774_100010173614 [0,1,0,0,0,1|2,0,0]=4 1138 B10R1.10 COCc1cc(ccn1)C 34a_100011998357_200000210301 [0,1,0,0,0,1|1,0,0]=3 1139 B10R1.10 COCc1cc(ccn1)C 34a_100138415774_100000718516 [0,1,0,0,0,1|1,0,0]=3 1140 B10R1.10 COCc1cc(ccn1)Cl 34a_100000748867_200000210301 [0,1,0,0,0,1|2,0,0]=4 1141 B10R1.10 COCc1cc(ccn1)Cl 34a_100138415774_100016988179 [0,1,0,0,0,1|2,0,0]=4 1142 B10R1.10 COCc1cc(ccn1)N 34a_100000692640_200000210301 [0,1,0,0,0,1|2,0,0]=4 1143 B10R1.10 COCc1cc(cnn1)C 34a_100016212594_200000210301 [0,1,0,0,0,1|2,0,0]=4 1144 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [0,1,0,0,0,1|2,0,0]=4 1145 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [0,1,0,0,0,1|2,0,0]=4 1146 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [0,1,0,0,0,1|2,0,0]=4 1147 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [0,1,0,0,0,1|1,0,0]=3 1148 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [0,1,0,0,0,1|1,0,0]=3 1149 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [0,1,0,0,0,1|1,0,0]=3 1150 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [0,1,0,0,0,1|2,0,0]=4 1151 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [0,1,0,0,0,1|2,0,0]=4 1152 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [0,1,0,0,0,1|2,0,0]=4 1153 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [0,1,0,0,0,1|2,0,0]=4 1154 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [0,1,0,0,0,1|2,0,0]=4 1155 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [0,1,0,0,0,1|2,0,0]=4 1156 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [0,1,0,0,0,1|2,0,0]=4 1157 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [0,1,0,0,0,1|2,0,0]=4 1158 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [0,1,0,0,0,1|2,0,0]=4 1159 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [0,1,0,0,0,1|2,0,0]=4 1160 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [0,1,0,0,0,1|2,0,0]=4 1161 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [0,1,0,0,0,1|2,0,0]=4 1162 B10R1.10 COCc1cccc(n1)Br 34a_100000694195_200000210301 [0,1,0,0,0,1|2,0,0]=4 1163 B10R1.10 COCc1cccc(n1)Br 34a_100138415774_100009889011 [0,1,0,0,0,1|2,0,0]=4 1164 B10R1.10 COCc1cccc(n1)C 34a_100000690600_200000210301 [0,1,0,0,0,1|1,0,0]=3 1165 B10R1.10 COCc1cccc(n1)C 34a_100138415774_100000757606 [0,1,0,0,0,1|1,0,0]=3 1166 B10R1.10 COCc1cccc(n1)Cl 34a_100011998359_200000210301 [0,1,0,0,0,1|2,0,0]=4 1167 B10R1.10 COCc1cccc(n1)Cl 34a_100138415774_100000086093 [0,1,0,0,0,1|2,0,0]=4 1168 B10R1.10 COCc1cccc(n1)F 34a_100000086748_200000210301 [0,1,0,0,0,1|2,0,0]=4 1169 B10R1.10 COCc1cccc(n1)F 34a_100138415774_100009819644 [0,1,0,0,0,1|2,0,0]=4 1170 B10R1.10 COCc1ccnc(c1)Br 34a_100009814636_200000210301 [0,1,0,0,0,1|2,0,0]=4 1171 B10R1.10 COCc1ccnc(c1)Br 34a_100138415774_100010243470 [0,1,0,0,0,1|2,0,0]=4 1172 B10R1.10 COCc1ccnc(c1)Br 7a_100009814636_200000210301 [0,1,0,0,0,1|2,0,0]=4 1173 B10R1.10 COCc1ccnc(c1)C 34a_100011998630_200000210301 [0,1,0,0,0,1|1,0,0]=3 1174 B10R1.10 COCc1ccnc(c1)C 34a_100138415774_200020672517 [0,1,0,0,0,1|1,0,0]=3 1175 B10R1.10 COCc1ccnc(c1)Cl 34a_100000748751_200000210301 [0,1,0,0,0,1|2,0,0]=4 1176 B10R1.10 COCc1ccnc(c1)Cl 34a_100138415774_100000764220 [0,1,0,0,0,1|2,0,0]=4 1177 B10R1.10 COCc1ccnc(c1)F 34a_100000082451_200000210301 [0,1,0,0,0,1|2,0,0]=4 1178 B10R1.10 COCc1ccnc(n1)Cl 34a_100138415774_100000099655 [0,1,0,0,0,1|2,0,0]=4 1179 B10R1.10 COCc1cncc(c1)Br 34a_100011259137_200000210301 [0,1,0,0,0,1|2,0,0]=4 1180 B10R1.10 COCc1cncc(c1)Br 34a_100138415774_100000738771 [0,1,0,0,0,1|2,0,0]=4 1181 B10R1.10 COCc1cncc(c1)Br 7a_100011259137_200000210301 [0,1,0,0,0,1|2,0,0]=4 1182 B10R1.10 COCc1cncc(c1)C 34a_100011998709_200000210301 [0,1,0,0,0,1|1,0,0]=3 1183 B10R1.10 COCc1cncc(c1)C 34a_100138415774_100000716715 [0,1,0,0,0,1|1,0,0]=3 1184 B10R1.10 COCc1cncc(c1)C 7a_100011998709_200000210301 [0,1,0,0,0,1|1,0,0]=3 1185 B10R1.10 COCc1cncc(c1)Cl 34a_100000092867_200000210301 [0,1,0,0,0,1|2,0,0]=4 1186 B10R1.10 COCc1cncc(c1)Cl 34a_100138415774_100016992070 [0,1,0,0,0,1|2,0,0]=4 1187 B10R1.10 COCc1cncc(c1)Cl 7a_100000092867_200000210301 [0,1,0,0,0,1|2,0,0]=4 1188 B10R1.10 COCc1cncc(c1)F 34a_100011962875_200000210301 [0,1,0,0,0,1|2,0,0]=4 1189 B10R1.10 COCc1cncc(c1)F 34a_100138415774_100000725299 [0,1,0,0,0,1|2,0,0]=4 1190 B10R1.10 COCc1cncc(c1)F 7a_100011962875_200000210301 [0,1,0,0,0,1|2,0,0]=4 1191 B10R1.10 COCc1cncc(c1)N 34a_100000085308_200000210301 [0,1,0,0,0,1|2,0,0]=4 1192 B10R1.10 CSCc1cc(ccn1)C 62a_100000718516_200000210301 [0,1,0,0,0,1|1,1,0]=4 1193 B10R1.10 CSCc1cc(ccn1)C 62a_200000210301_100000718516 [0,1,0,0,0,1|1,1,0]=4 1194 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [0,1,0,0,0,1|1,1,0]=4 1195 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [0,1,0,0,0,1|1,1,0]=4 1196 B10R1.10 CSCc1cccc(n1)C 62a_100000757606_200000210301 [0,1,0,0,0,1|1,1,0]=4 1197 B10R1.10 CSCc1cccc(n1)C 62a_200000210301_100000757606 [0,1,0,0,0,1|1,1,0]=4 1198 B10R1.10 CSCc1ccnc(c1)C 62a_200000210301_200020672517 [0,1,0,0,0,1|1,1,0]=4 1199 B10R1.10 CSCc1ccnc(c1)C 62a_200020672517_200000210301 [0,1,0,0,0,1|1,1,0]=4 1200 B10R1.10 CSCc1cncc(c1)C 62a_100000716715_200000210301 [0,1,0,0,0,1|1,1,0]=4 1201 B10R1.10 CSCc1cncc(c1)C 62a_200000210301_100000716715 [0,1,0,0,0,1|1,1,0]=4 1202 B10R1.10 Cc1cc(ccn1)CN[13CH3] 34a_100011934566_200025704644 [0,1,0,0,0,1|2,0,0]=4 1203 B10R1.10 Cc1cc(ccn1)CO[13CH3] 34a_100011998630_200025704644 [0,1,0,0,0,1|1,0,0]=3 1204 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200020672517_200025704644 [0,1,0,0,0,1|1,1,0]=4 1205 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200025704644_200020672517 [0,1,0,0,0,1|1,1,0]=4 1206 B10R1.10 Cc1cc(ccn1)OCF 34a_100000688365_100015361967 [0,1,0,0,0,1|2,0,0]=4 1207 B10R1.10 Cc1cc(ccn1)SCF 62a_100000758586_100015361967 [0,1,0,0,0,1|2,0,0]=4 1208 B10R1.10 Cc1cc(ccn1)SCF 62a_100015361967_100000758586 [0,1,0,0,0,1|2,0,0]=4 1209 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [0,1,0,0,0,1|2,0,0]=4 1210 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [0,1,0,0,0,1|2,0,0]=4 1211 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [0,1,0,0,0,1|1,0,0]=3 1212 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [0,1,0,0,0,1|1,0,0]=3 1213 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [0,1,0,0,0,1|1,1,0]=4 1214 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [0,1,0,0,0,1|1,1,0]=4 1215 B10R1.10 Cc1cccc(c1)NCF 34a_100000188690_100015361967 [0,1,0,0,0,1|2,0,0]=4 1216 B10R1.10 Cc1cccc(c1)OCF 34a_100000210337_100015361967 [0,1,0,0,0,1|2,0,0]=4 1217 B10R1.10 Cc1cccc(c1)OCF 7a_100000210337_100015361967 [0,1,0,0,0,1|2,0,0]=4 1218 B10R1.10 Cc1cccc(c1)SCF 62a_100011215228_100015361967 [0,1,0,0,0,1|2,0,0]=4 1219 B10R1.10 Cc1cccc(c1)SCF 62a_100015361967_100011215228 [0,1,0,0,0,1|2,0,0]=4 1220 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [0,1,0,0,0,1|2,0,0]=4 1221 B10R1.10 Cc1cccc(n1)CO[13CH3] 34a_100000690600_200025704644 [0,1,0,0,0,1|1,0,0]=3 1222 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_100000757606_200025704644 [0,1,0,0,0,1|1,1,0]=4 1223 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_200025704644_100000757606 [0,1,0,0,0,1|1,1,0]=4 1224 B10R1.10 Cc1cccc(n1)SCF 62a_100000742759_100015361967 [0,1,0,0,0,1|2,0,0]=4 1225 B10R1.10 Cc1cccc(n1)SCF 62a_100015361967_100000742759 [0,1,0,0,0,1|2,0,0]=4 1226 B10R1.10 Cc1ccnc(c1)CO[13CH3] 34a_100011998357_200025704644 [0,1,0,0,0,1|1,0,0]=3 1227 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_100000718516_200025704644 [0,1,0,0,0,1|1,1,0]=4 1228 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_200025704644_100000718516 [0,1,0,0,0,1|1,1,0]=4 1229 B10R1.10 Cc1ccnc(c1)SCF 62a_100000750283_100015361967 [0,1,0,0,0,1|2,0,0]=4 1230 B10R1.10 Cc1ccnc(c1)SCF 62a_100015361967_100000750283 [0,1,0,0,0,1|2,0,0]=4 1231 B10R1.10 Cc1ccnc(n1)CN[13CH3] 2230a_100015186494_200025704644 [0,1,0,0,0,1|2,0,0]=4 1232 B10R1.10 Cc1ccnc(n1)SCF 62a_100011243806_100015361967 [0,1,0,0,0,1|2,0,0]=4 1233 B10R1.10 Cc1ccnc(n1)SCF 62a_100015361967_100011243806 [0,1,0,0,0,1|2,0,0]=4 1234 B10R1.10 Cc1cncc(c1)CN[13CH3] 2230a_100000692839_200025704644 [0,1,0,0,0,1|2,0,0]=4 1235 B10R1.10 Cc1cncc(c1)CN[13CH3] 34a_100000692839_200025704644 [0,1,0,0,0,1|2,0,0]=4 1236 B10R1.10 Cc1cncc(c1)CO[13CH3] 34a_100011998709_200025704644 [0,1,0,0,0,1|1,0,0]=3 1237 B10R1.10 Cc1cncc(c1)CO[13CH3] 7a_100011998709_200025704644 [0,1,0,0,0,1|1,0,0]=3 1238 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_100000716715_200025704644 [0,1,0,0,0,1|1,1,0]=4 1239 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_200025704644_100000716715 [0,1,0,0,0,1|1,1,0]=4 1240 B10R1.10 Cc1cncc(c1)OCF 34a_100011830280_100015361967 [0,1,0,0,0,1|2,0,0]=4 1241 B10R1.10 Cc1cncc(c1)OCF 7a_100011830280_100015361967 [0,1,0,0,0,1|2,0,0]=4 1242 B10R1.10 Cc1cncc(c1)SCF 62a_100000760492_100015361967 [0,1,0,0,0,1|2,0,0]=4 1243 B10R1.10 Cc1cncc(c1)SCF 62a_100015361967_100000760492 [0,1,0,0,0,1|2,0,0]=4 1244 B10R1.10 Cc1cncc(n1)SCF 62a_100000754123_100015361967 [0,1,0,0,0,1|2,0,0]=4 1245 B10R1.10 Cc1cncc(n1)SCF 62a_100015361967_100000754123 [0,1,0,0,0,1|2,0,0]=4 1246 B10R1.10 Cc1cnnc(c1)CO[13CH3] 34a_100016212594_200025704644 [0,1,0,0,0,1|2,0,0]=4 1247 B10R1.10 Cc1nccc(n1)SCF 62a_100000749937_100015361967 [0,1,0,0,0,1|2,0,0]=4 1248 B10R1.10 Cc1nccc(n1)SCF 62a_100015361967_100000749937 [0,1,0,0,0,1|2,0,0]=4 1249 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [0,1,0,0,0,1|2,0,0]=4 1250 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [0,1,0,0,0,1|2,0,0]=4 1251 B10R1.10 [13CH3]OCc1cc(ccn1)Cl 34a_100000748867_200025704644 [0,1,0,0,0,1|2,0,0]=4 1252 B10R1.10 [13CH3]OCc1cc(ccn1)N 34a_100000692640_200025704644 [0,1,0,0,0,1|2,0,0]=4 1253 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [0,1,0,0,0,1|2,0,0]=4 1254 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [0,1,0,0,0,1|2,0,0]=4 1255 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [0,1,0,0,0,1|2,0,0]=4 1256 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [0,1,0,0,0,1|2,0,0]=4 1257 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [0,1,0,0,0,1|2,0,0]=4 1258 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [0,1,0,0,0,1|2,0,0]=4 1259 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [0,1,0,0,0,1|2,0,0]=4 1260 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [0,1,0,0,0,1|2,0,0]=4 1261 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [0,1,0,0,0,1|2,0,0]=4 1262 B10R1.10 [13CH3]OCc1cccc(n1)Br 34a_100000694195_200025704644 [0,1,0,0,0,1|2,0,0]=4 1263 B10R1.10 [13CH3]OCc1cccc(n1)Cl 34a_100011998359_200025704644 [0,1,0,0,0,1|2,0,0]=4 1264 B10R1.10 [13CH3]OCc1cccc(n1)F 34a_100000086748_200025704644 [0,1,0,0,0,1|2,0,0]=4 1265 B10R1.10 [13CH3]OCc1ccnc(c1)Br 34a_100009814636_200025704644 [0,1,0,0,0,1|2,0,0]=4 1266 B10R1.10 [13CH3]OCc1ccnc(c1)Br 7a_100009814636_200025704644 [0,1,0,0,0,1|2,0,0]=4 1267 B10R1.10 [13CH3]OCc1ccnc(c1)Cl 34a_100000748751_200025704644 [0,1,0,0,0,1|2,0,0]=4 1268 B10R1.10 [13CH3]OCc1ccnc(c1)F 34a_100000082451_200025704644 [0,1,0,0,0,1|2,0,0]=4 1269 B10R1.10 [13CH3]OCc1cncc(c1)Br 34a_100011259137_200025704644 [0,1,0,0,0,1|2,0,0]=4 1270 B10R1.10 [13CH3]OCc1cncc(c1)Br 7a_100011259137_200025704644 [0,1,0,0,0,1|2,0,0]=4 1271 B10R1.10 [13CH3]OCc1cncc(c1)Cl 34a_100000092867_200025704644 [0,1,0,0,0,1|2,0,0]=4 1272 B10R1.10 [13CH3]OCc1cncc(c1)Cl 7a_100000092867_200025704644 [0,1,0,0,0,1|2,0,0]=4 1273 B10R1.10 [13CH3]OCc1cncc(c1)F 34a_100011962875_200025704644 [0,1,0,0,0,1|2,0,0]=4 1274 B10R1.10 [13CH3]OCc1cncc(c1)F 7a_100011962875_200025704644 [0,1,0,0,0,1|2,0,0]=4 1275 B10R1.10 [13CH3]OCc1cncc(c1)N 34a_100000085308_200025704644 [0,1,0,0,0,1|2,0,0]=4 1276 B10R1.30 Cc1cc(c(cn1)O)CO 271570a_203496583355_100015579599 [0,1,0,0,0,1|1,0,0]=3 1277 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [0,1,0,0,0,1|1,0,0]=3 1278 B10R1.30 Cc1ccc(c(n1)CO)O 271570a_203496583355_100010074375 [0,1,0,0,0,1|1,0,0]=3 1279 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [0,1,0,0,0,1|2,0,0]=4 1280 B10R1.30 Cc1cnc(c(c1)CO)O 271570a_203496583355_100000118064 [0,1,0,0,0,1|1,0,0]=3 1281 B10R1.30 Cc1ncc(cc1CO)O 271570a_203496583355_100010894652 [0,1,0,0,0,1|2,0,0]=4 1282 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [0,1,0,0,0,1|2,0,0]=4 1283 B10R1.30 Nc1ccc(cc1CO)O 271570a_203496583355_100012353972 [0,1,0,0,0,1|2,0,0]=4 1284 B10R1.30 Nc1ncc(cc1CO)O 271570a_203496583355_100011934449 [0,1,0,0,0,1|2,0,0]=4 1285 B10R1.30 Nc1ncc(nc1CO)O 271570a_203496583355_100010174834 [0,1,0,0,0,1|2,0,0]=4 1286 B10R1.30 OCc1cc(ccc1Br)O 271570a_203496583355_100012359683 [0,1,0,0,0,1|2,0,0]=4 1287 B10R1.30 OCc1cc(ccc1Cl)O 271570a_203496583355_100010128486 [0,1,0,0,0,1|2,0,0]=4 1288 B10R1.30 OCc1cc(ccc1F)O 271570a_203496583355_100000049604 [0,1,0,0,0,1|2,0,0]=4 1289 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [0,1,0,0,0,1|2,0,0]=4 1290 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [0,1,0,0,0,1|2,0,0]=4 1291 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [0,1,0,0,0,1|2,0,0]=4 1292 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [0,1,0,0,0,1|2,0,0]=4 1293 B10R1.30 OCc1cc(cnc1F)O 271570a_203496583355_100010202234 [0,1,0,0,0,1|2,0,0]=4 1294 B10R1.30 OCc1cc(cnc1O)F 271570a_203496583355_100000079972 [0,1,0,0,0,1|2,0,0]=4 1295 B10R1.30 OCc1cc(cnc1O)O 271570a_203496583355_100010065268 [0,1,0,0,0,1|2,0,0]=4 1296 B10R1.30 OCc1cc(ncc1F)O 271570a_203496583355_100000081974 [0,1,0,0,0,1|2,0,0]=4 1297 B10R1.30 OCc1nc(ccc1O)F 271570a_203496583355_100000701195 [0,1,0,0,0,1|2,0,0]=4 1298 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,1,0,0,0,1|2,0,0]=4 1299 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,1,0,0,0,1|2,0,0]=4 1300 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,1,0,0,0,1|2,0,0]=4 1301 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [0,1,0,0,0,1|2,0,0]=4 1302 B10R1.172 C=Cc1cc(ccn1)CO 271570a_100011290941_100009814636 [0,1,0,0,0,1|1,0,1]=4 1303 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,1,0,0,0,1|1,0,1]=4 1304 B10R1.172 C=Cc1cccc(n1)CO 271570a_100011290941_100000694195 [0,1,0,0,0,1|1,0,1]=4 1305 B10R1.172 C=Cc1ccnc(c1)CO 271570a_100011290941_100009819072 [0,1,0,0,0,1|1,0,1]=4 1306 B10R1.172 C=Cc1cncc(c1)CO 271570a_100011290941_100011259137 [0,1,0,0,0,1|1,0,1]=4 1307 B10R1.172 C=Cc1cncc(n1)CO 271570a_100011290941_100009853123 [0,1,0,0,0,1|1,0,1]=4 1308 B10R1.172 CCc1cc(ccn1)NC 27a_100102657272_100009820011 [0,1,0,0,0,1|2,0,0]=4 1309 B10R1.172 CCc1cc(ccn1)SC 62a_100009820011_200000210301 [0,1,0,0,0,1|2,0,0]=4 1310 B10R1.172 CCc1cc(ccn1)SC 62a_200000210301_100009820011 [0,1,0,0,0,1|2,0,0]=4 1311 B10R1.172 CCc1cc(ccn1)S[13CH3] 62a_100009820011_200025704644 [0,1,0,0,0,1|2,0,0]=4 1312 B10R1.172 CCc1cc(ccn1)S[13CH3] 62a_200025704644_100009820011 [0,1,0,0,0,1|2,0,0]=4 1313 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [0,1,0,0,0,1|2,0,0]=4 1314 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [0,1,0,0,0,1|2,0,0]=4 1315 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [0,1,0,0,0,1|2,0,0]=4 1316 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [0,1,0,0,0,1|2,0,0]=4 1317 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [0,1,0,0,0,1|2,0,0]=4 1318 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [0,1,0,0,0,1|2,0,0]=4 1319 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [0,1,0,0,0,1|2,0,0]=4 1320 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [0,1,0,0,0,1|2,0,0]=4 1321 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [0,1,0,0,0,1|2,0,0]=4 1322 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [0,1,0,0,0,1|2,0,0]=4 1323 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [0,1,0,0,0,1|2,0,0]=4 1324 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [0,1,0,0,0,1|2,0,0]=4 1325 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [0,1,0,0,0,1|2,0,0]=4 1326 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [0,1,0,0,0,1|2,0,0]=4 1327 B10R1.172 CCc1cccc(n1)SC 62a_100009856026_200000210301 [0,1,0,0,0,1|2,0,0]=4 1328 B10R1.172 CCc1cccc(n1)SC 62a_200000210301_100009856026 [0,1,0,0,0,1|2,0,0]=4 1329 B10R1.172 CCc1cccc(n1)S[13CH3] 62a_100009856026_200025704644 [0,1,0,0,0,1|2,0,0]=4 1330 B10R1.172 CCc1cccc(n1)S[13CH3] 62a_200025704644_100009856026 [0,1,0,0,0,1|2,0,0]=4 1331 B10R1.172 CCc1ccnc(c1)NC 27a_100102657272_100009817561 [0,1,0,0,0,1|2,0,0]=4 1332 B10R1.172 CCc1ccnc(c1)SC 62a_100009817561_200000210301 [0,1,0,0,0,1|2,0,0]=4 1333 B10R1.172 CCc1ccnc(c1)SC 62a_200000210301_100009817561 [0,1,0,0,0,1|2,0,0]=4 1334 B10R1.172 CCc1ccnc(c1)S[13CH3] 62a_100009817561_200025704644 [0,1,0,0,0,1|2,0,0]=4 1335 B10R1.172 CCc1ccnc(c1)S[13CH3] 62a_200025704644_100009817561 [0,1,0,0,0,1|2,0,0]=4 1336 B10R1.172 CCc1ccnc(n1)NC 27a_100102657272_100000100215 [0,1,0,0,0,1|2,0,0]=4 1337 B10R1.172 CCc1ccnc(n1)SC 62a_100000100215_200000210301 [0,1,0,0,0,1|2,0,0]=4 1338 B10R1.172 CCc1ccnc(n1)SC 62a_200000210301_100000100215 [0,1,0,0,0,1|2,0,0]=4 1339 B10R1.172 CCc1ccnc(n1)S[13CH3] 62a_100000100215_200025704644 [0,1,0,0,0,1|2,0,0]=4 1340 B10R1.172 CCc1ccnc(n1)S[13CH3] 62a_200025704644_100000100215 [0,1,0,0,0,1|2,0,0]=4 1341 B10R1.172 CCc1cncc(c1)OC 34a_200009861530_200000210301 [0,1,0,0,0,1|2,0,0]=4 1342 B10R1.172 CCc1cncc(c1)OC 7a_200009861530_200000210301 [0,1,0,0,0,1|2,0,0]=4 1343 B10R1.172 CCc1cncc(c1)O[13CH3] 34a_200009861530_200025704644 [0,1,0,0,0,1|2,0,0]=4 1344 B10R1.172 CCc1cncc(c1)O[13CH3] 7a_200009861530_200025704644 [0,1,0,0,0,1|2,0,0]=4 1345 B10R1.172 CCc1cncc(c1)SC 62a_200000210301_200009819073 [0,1,0,0,0,1|2,0,0]=4 1346 B10R1.172 CCc1cncc(c1)SC 62a_200009819073_200000210301 [0,1,0,0,0,1|2,0,0]=4 1347 B10R1.172 CCc1cncc(c1)S[13CH3] 62a_200009819073_200025704644 [0,1,0,0,0,1|2,0,0]=4 1348 B10R1.172 CCc1cncc(c1)S[13CH3] 62a_200025704644_200009819073 [0,1,0,0,0,1|2,0,0]=4 1349 B10R1.172 CNc1cc(ncn1)CO 27a_100102657272_100000731546 [0,1,0,0,0,1|2,0,0]=4 1350 B10R1.172 CNc1cccc(c1)CF 2230a_100000126320_200000210301 [0,1,0,0,0,1|2,0,0]=4 1351 B10R1.172 CNc1cccc(c1)CF 34a_100000126320_200000210301 [0,1,0,0,0,1|2,0,0]=4 1352 B10R1.172 CNc1cccc(c1)CF 7a_100000126320_200000210301 [0,1,0,0,0,1|2,0,0]=4 1353 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [0,1,0,0,0,1|1,0,0]=3 1354 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [0,1,0,0,0,1|1,0,0]=3 1355 B10R1.172 CNc1ccnc(c1)CO 27a_100102657272_100000748867 [0,1,0,0,0,1|1,0,0]=3 1356 B10R1.172 CNc1cncc(n1)CO 27a_100102657272_100009853123 [0,1,0,0,0,1|1,0,0]=3 1357 B10R1.172 COc1cc(ccn1)CN 34a_100000748557_200000210301 [0,1,0,0,0,1|2,0,0]=4 1358 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [0,1,0,0,0,1|2,0,0]=4 1359 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [0,1,0,0,0,1|2,0,0]=4 1360 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [0,1,0,0,0,1|2,0,0]=4 1361 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [0,1,0,0,0,1|2,0,0]=4 1362 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [0,1,0,0,0,1|2,0,0]=4 1363 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [0,1,0,0,0,1|1,0,0]=3 1364 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [0,1,0,0,0,1|1,0,0]=3 1365 B10R1.172 CSc1cc(ccn1)CN 62a_100025757509_200000210301 [0,1,0,0,0,1|2,0,0]=4 1366 B10R1.172 CSc1cc(ccn1)CN 62a_200000210301_100025757509 [0,1,0,0,0,1|2,0,0]=4 1367 B10R1.172 CSc1cc(ccn1)CO 62a_100009814636_200000210301 [0,1,0,0,0,1|1,0,0]=3 1368 B10R1.172 CSc1cc(ccn1)CO 62a_200000210301_100009814636 [0,1,0,0,0,1|1,0,0]=3 1369 B10R1.172 CSc1cc(ncn1)CO 62a_100000731546_200000210301 [0,1,0,0,0,1|2,0,0]=4 1370 B10R1.172 CSc1cc(ncn1)CO 62a_200000210301_100000731546 [0,1,0,0,0,1|2,0,0]=4 1371 B10R1.172 CSc1cccc(c1)CF 62a_100010878472_200000210301 [0,1,0,0,0,1|2,0,0]=4 1372 B10R1.172 CSc1cccc(c1)CF 62a_200000210301_100010878472 [0,1,0,0,0,1|2,0,0]=4 1373 B10R1.172 CSc1cccc(c1)CN 62a_100000106179_200000210301 [0,1,0,0,0,1|2,0,0]=4 1374 B10R1.172 CSc1cccc(c1)CN 62a_200000210301_100000106179 [0,1,0,0,0,1|2,0,0]=4 1375 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [0,1,0,0,0,1|1,0,0]=3 1376 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [0,1,0,0,0,1|1,0,0]=3 1377 B10R1.172 CSc1cccc(n1)CN 62a_100016990191_200000210301 [0,1,0,0,0,1|2,0,0]=4 1378 B10R1.172 CSc1cccc(n1)CN 62a_200000210301_100016990191 [0,1,0,0,0,1|2,0,0]=4 1379 B10R1.172 CSc1cccc(n1)CO 62a_100000694195_200000210301 [0,1,0,0,0,1|1,0,0]=3 1380 B10R1.172 CSc1cccc(n1)CO 62a_200000210301_100000694195 [0,1,0,0,0,1|1,0,0]=3 1381 B10R1.172 CSc1ccnc(c1)CN 62a_100000085674_200000210301 [0,1,0,0,0,1|2,0,0]=4 1382 B10R1.172 CSc1ccnc(c1)CN 62a_200000210301_100000085674 [0,1,0,0,0,1|2,0,0]=4 1383 B10R1.172 CSc1ccnc(c1)CO 62a_100000748867_200000210301 [0,1,0,0,0,1|1,0,0]=3 1384 B10R1.172 CSc1ccnc(c1)CO 62a_200000210301_100000748867 [0,1,0,0,0,1|1,0,0]=3 1385 B10R1.172 CSc1cncc(c1)CN 62a_100011249555_200000210301 [0,1,0,0,0,1|2,0,0]=4 1386 B10R1.172 CSc1cncc(c1)CN 62a_200000210301_100011249555 [0,1,0,0,0,1|2,0,0]=4 1387 B10R1.172 CSc1cncc(c1)CO 62a_100011259137_200000210301 [0,1,0,0,0,1|1,0,0]=3 1388 B10R1.172 CSc1cncc(c1)CO 62a_200000210301_100011259137 [0,1,0,0,0,1|1,0,0]=3 1389 B10R1.172 CSc1cncc(n1)CO 62a_100009853123_200000210301 [0,1,0,0,0,1|1,0,0]=3 1390 B10R1.172 CSc1cncc(n1)CO 62a_200000210301_100009853123 [0,1,0,0,0,1|1,0,0]=3 1391 B10R1.172 [13CH3]Nc1cccc(c1)CF 2230a_100000126320_200025704644 [0,1,0,0,0,1|2,0,0]=4 1392 B10R1.172 [13CH3]Nc1cccc(c1)CF 34a_100000126320_200025704644 [0,1,0,0,0,1|2,0,0]=4 1393 B10R1.172 [13CH3]Nc1cccc(c1)CF 7a_100000126320_200025704644 [0,1,0,0,0,1|2,0,0]=4 1394 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [0,1,0,0,0,1|1,0,0]=3 1395 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [0,1,0,0,0,1|1,0,0]=3 1396 B10R1.172 [13CH3]Oc1cc(ccn1)CN 34a_100000748557_200025704644 [0,1,0,0,0,1|2,0,0]=4 1397 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [0,1,0,0,0,1|2,0,0]=4 1398 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [0,1,0,0,0,1|2,0,0]=4 1399 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [0,1,0,0,0,1|2,0,0]=4 1400 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [0,1,0,0,0,1|2,0,0]=4 1401 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [0,1,0,0,0,1|2,0,0]=4 1402 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [0,1,0,0,0,1|1,0,0]=3 1403 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [0,1,0,0,0,1|1,0,0]=3 1404 B10R1.172 [13CH3]Sc1cc(ccn1)CN 62a_100025757509_200025704644 [0,1,0,0,0,1|2,0,0]=4 1405 B10R1.172 [13CH3]Sc1cc(ccn1)CN 62a_200025704644_100025757509 [0,1,0,0,0,1|2,0,0]=4 1406 B10R1.172 [13CH3]Sc1cc(ccn1)CO 62a_100009814636_200025704644 [0,1,0,0,0,1|1,0,0]=3 1407 B10R1.172 [13CH3]Sc1cc(ccn1)CO 62a_200025704644_100009814636 [0,1,0,0,0,1|1,0,0]=3 1408 B10R1.172 [13CH3]Sc1cc(ncn1)CO 62a_100000731546_200025704644 [0,1,0,0,0,1|2,0,0]=4 1409 B10R1.172 [13CH3]Sc1cc(ncn1)CO 62a_200025704644_100000731546 [0,1,0,0,0,1|2,0,0]=4 1410 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_100010878472_200025704644 [0,1,0,0,0,1|2,0,0]=4 1411 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_200025704644_100010878472 [0,1,0,0,0,1|2,0,0]=4 1412 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_100000106179_200025704644 [0,1,0,0,0,1|2,0,0]=4 1413 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_200025704644_100000106179 [0,1,0,0,0,1|2,0,0]=4 1414 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [0,1,0,0,0,1|1,0,0]=3 1415 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [0,1,0,0,0,1|1,0,0]=3 1416 B10R1.172 [13CH3]Sc1cccc(n1)CN 62a_100016990191_200025704644 [0,1,0,0,0,1|2,0,0]=4 1417 B10R1.172 [13CH3]Sc1cccc(n1)CN 62a_200025704644_100016990191 [0,1,0,0,0,1|2,0,0]=4 1418 B10R1.172 [13CH3]Sc1cccc(n1)CO 62a_100000694195_200025704644 [0,1,0,0,0,1|1,0,0]=3 1419 B10R1.172 [13CH3]Sc1cccc(n1)CO 62a_200025704644_100000694195 [0,1,0,0,0,1|1,0,0]=3 1420 B10R1.172 [13CH3]Sc1ccnc(c1)CN 62a_100000085674_200025704644 [0,1,0,0,0,1|2,0,0]=4 1421 B10R1.172 [13CH3]Sc1ccnc(c1)CN 62a_200025704644_100000085674 [0,1,0,0,0,1|2,0,0]=4 1422 B10R1.172 [13CH3]Sc1ccnc(c1)CO 62a_100000748867_200025704644 [0,1,0,0,0,1|1,0,0]=3 1423 B10R1.172 [13CH3]Sc1ccnc(c1)CO 62a_200025704644_100000748867 [0,1,0,0,0,1|1,0,0]=3 1424 B10R1.172 [13CH3]Sc1cncc(c1)CN 62a_100011249555_200025704644 [0,1,0,0,0,1|2,0,0]=4 1425 B10R1.172 [13CH3]Sc1cncc(c1)CN 62a_200025704644_100011249555 [0,1,0,0,0,1|2,0,0]=4 1426 B10R1.172 [13CH3]Sc1cncc(c1)CO 62a_100011259137_200025704644 [0,1,0,0,0,1|1,0,0]=3 1427 B10R1.172 [13CH3]Sc1cncc(c1)CO 62a_200025704644_100011259137 [0,1,0,0,0,1|1,0,0]=3 1428 B10R1.172 [13CH3]Sc1cncc(n1)CO 62a_100009853123_200025704644 [0,1,0,0,0,1|1,0,0]=3 1429 B10R1.172 [13CH3]Sc1cncc(n1)CO 62a_200025704644_100009853123 [0,1,0,0,0,1|1,0,0]=3 1430 B10R1.14 CC(O[13CH3])c1ccn(n1)C 34a_100012178569_200025704644 [0,2,0,0,0,0|2,0,0]=4 1431 B10R1.14 CNC(C)c1ccc(o1)C 269862a_106832991636_100000204583 [0,2,0,0,0,0|1,0,0]=3 1432 B10R1.14 CNC(C)c1ccc(s1)C 269862a_106832991636_100000195387 [0,2,0,0,0,0|1,1,0]=4 1433 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,2,0,0,0,0|1,0,1]=4 1434 B10R1.14 COC(C)c1ccn(n1)C 34a_100012178569_200000210301 [0,2,0,0,0,0|2,0,0]=4 1435 B10R1.16 C#CCSc1ccc(s1)C 62a_100000038162_100000031368 [0,2,0,0,0,0|1,1,0]=4 1436 B10R1.16 C=CCSc1ccc(s1)C 62a_100000031368_100000210623 [0,2,0,0,0,0|1,1,0]=4 1437 B10R1.16 C=CCSc1ccc(s1)C 62a_100000210623_100000031368 [0,2,0,0,0,0|1,1,0]=4 1438 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,2,0,0,0,0|1,1,0]=4 1439 B10R1.16 CCCSc1ccc(s1)C 62a_100000031368_100000210303 [0,2,0,0,0,0|1,1,0]=4 1440 B10R1.16 CCCSc1ccc(s1)C 62a_100000210303_100000031368 [0,2,0,0,0,0|1,1,0]=4 1441 B10R1.16 CCNCc1ccc(o1)Br 207a_100015525214_100000185145 [0,2,0,0,0,0|2,0,0]=4 1442 B10R1.16 CCNCc1ccc(o1)Br 270004a_100015525214_100000185145 [0,2,0,0,0,0|2,0,0]=4 1443 B10R1.16 CCNCc1ccc(o1)Br 34a_100000708654_100000210202 [0,2,0,0,0,0|2,0,0]=4 1444 B10R1.16 CCNCc1ccc(o1)C 207a_100015525214_100000183696 [0,2,0,0,0,0|1,0,0]=3 1445 B10R1.16 CCNCc1ccc(o1)C 270004a_100015525214_100000183696 [0,2,0,0,0,0|1,0,0]=3 1446 B10R1.16 CCNCc1ccc(o1)C 34a_100011194323_100000210202 [0,2,0,0,0,0|1,0,0]=3 1447 B10R1.16 CCNCc1ccc(o1)Cl 207a_100015525214_100000188459 [0,2,0,0,0,0|2,0,0]=4 1448 B10R1.16 CCNCc1ccc(o1)Cl 270004a_100015525214_100000188459 [0,2,0,0,0,0|2,0,0]=4 1449 B10R1.16 CCNCc1ccc(o1)I 207a_100015525214_100000186757 [0,2,0,0,0,0|2,0,0]=4 1450 B10R1.16 CCNCc1ccc(s1)C 207a_100015525214_100000211121 [0,2,0,0,0,0|1,1,0]=4 1451 B10R1.16 CCNCc1ccc(s1)C 2230a_100000238518_100000210202 [0,2,0,0,0,0|1,1,0]=4 1452 B10R1.16 CCNCc1ccc(s1)C 270004a_100015525214_100000211121 [0,2,0,0,0,0|1,1,0]=4 1453 B10R1.16 CCNCc1cnc(o1)C 207a_100015525214_100000084308 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.16 CCNCc1cnc(o1)C 270004a_100015525214_100000084308 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.16 CCNCc1ncc(o1)C 2230a_100138411809_100000210202 [0,2,0,0,0,0|2,0,0]=4 1456 B10R1.16 CCNCc1ncc(o1)C 34a_100138411809_100000210202 [0,2,0,0,0,0|2,0,0]=4 1457 B10R1.16 CCOCc1cc(cs1)C 34a_200000068372_100000210202 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.16 CCOCc1cc(cs1)C 7a_200000068372_100000210202 [0,2,0,0,0,0|2,0,0]=4 1459 B10R1.16 CCOCc1ccc(o1)Br 34a_100000246276_100000210202 [0,2,0,0,0,0|1,0,0]=3 1460 B10R1.16 CCOCc1ccc(o1)Br 7a_100000246276_100000210202 [0,2,0,0,0,0|1,0,0]=3 1461 B10R1.16 CCOCc1ccc(o1)C 34a_100011232665_100000210202 [0,2,0,0,0,0|0,0,0]=2 1462 B10R1.16 CCOCc1ccc(o1)C 7a_100011232665_100000210202 [0,2,0,0,0,0|0,0,0]=2 1463 B10R1.16 CCOCc1ccc(s1)Br 34a_100121572206_100000708592 [0,2,0,0,0,0|1,1,0]=4 1464 B10R1.16 CCOCc1ccc(s1)C 34a_100000238367_100000210202 [0,2,0,0,0,0|0,1,0]=3 1465 B10R1.16 CCOCc1ccc(s1)Cl 34a_100121572206_100000185097 [0,2,0,0,0,0|1,1,0]=4 1466 B10R1.16 CCOCc1ccn(n1)C 34a_100000744484_100000210202 [0,2,0,0,0,0|2,0,0]=4 1467 B10R1.16 CCOCc1ccn(n1)C 34a_100121572206_100000726502 [0,2,0,0,0,0|2,0,0]=4 1468 B10R1.16 CCOCc1cnc(s1)C 34a_100121572206_100020635045 [0,2,0,0,0,0|1,1,0]=4 1469 B10R1.16 CCOCc1cnc(s1)C 7a_100000743366_100000210202 [0,2,0,0,0,0|1,1,0]=4 1470 B10R1.16 CCOCc1coc(n1)C 34a_100012017233_100000210202 [0,2,0,0,0,0|2,0,0]=4 1471 B10R1.16 CCOCc1csc(n1)C 34a_100000735831_100000210202 [0,2,0,0,0,0|2,0,0]=4 1472 B10R1.16 CCOCc1csc(n1)C 34a_100121572206_100015186478 [0,2,0,0,0,0|2,0,0]=4 1473 B10R1.16 CCOCc1nnc(o1)C 34a_100000749586_100000210202 [0,2,0,0,0,0|2,0,0]=4 1474 B10R1.16 CNCCc1ccc(o1)C 2230a_100000739271_200000210301 [0,2,0,0,0,0|1,0,0]=3 1475 B10R1.16 CNCCc1ccc(o1)C 34a_100000739271_200000210301 [0,2,0,0,0,0|1,0,0]=3 1476 B10R1.16 COCCc1ccc(o1)C 34a_100012161071_200000210301 [0,2,0,0,0,0|0,0,0]=2 1477 B10R1.16 COCCc1ccc(o1)C 7a_100012161071_200000210301 [0,2,0,0,0,0|0,0,0]=2 1478 B10R1.16 COCCc1csc(n1)C 34a_100011934828_200000210301 [0,2,0,0,0,0|2,0,0]=4 1479 B10R1.16 COCCc1csc(n1)C 34a_100138415774_100000695623 [0,2,0,0,0,0|2,0,0]=4 1480 B10R1.16 COCSc1c[nH]c(n1)C 62a_100000766300_100009814057 [0,2,0,0,0,0|2,0,0]=4 1481 B10R1.16 COCSc1c[nH]c(n1)C 62a_100009814057_100000766300 [0,2,0,0,0,0|2,0,0]=4 1482 B10R1.16 COCSc1cc(cs1)C 62a_100000766300_100009876951 [0,2,0,0,0,0|2,0,0]=4 1483 B10R1.16 COCSc1cc(cs1)C 62a_100009876951_100000766300 [0,2,0,0,0,0|2,0,0]=4 1484 B10R1.16 COCSc1ccc(s1)Br 62a_100000766300_100010197418 [0,2,0,0,0,0|1,1,0]=4 1485 B10R1.16 COCSc1ccc(s1)Br 62a_100010197418_100000766300 [0,2,0,0,0,0|1,1,0]=4 1486 B10R1.16 COCSc1ccc(s1)C 62a_100000031368_100000766300 [0,2,0,0,0,0|0,1,0]=3 1487 B10R1.16 COCSc1ccc(s1)C 62a_100000766300_100000031368 [0,2,0,0,0,0|0,1,0]=3 1488 B10R1.16 COCSc1ccn(n1)C 62a_100000752436_100000766300 [0,2,0,0,0,0|2,0,0]=4 1489 B10R1.16 COCSc1ccn(n1)C 62a_100000766300_100000752436 [0,2,0,0,0,0|2,0,0]=4 1490 B10R1.16 COCSc1cnc(s1)C 62a_100000764884_100000766300 [0,2,0,0,0,0|1,1,0]=4 1491 B10R1.16 COCSc1cnc(s1)C 62a_100000766300_100000764884 [0,2,0,0,0,0|1,1,0]=4 1492 B10R1.16 COCSc1csc(c1)C 62a_100000759034_100000766300 [0,2,0,0,0,0|2,0,0]=4 1493 B10R1.16 COCSc1csc(c1)C 62a_100000766300_100000759034 [0,2,0,0,0,0|2,0,0]=4 1494 B10R1.16 COCSc1csc(n1)C 62a_100000766300_100011934587 [0,2,0,0,0,0|2,0,0]=4 1495 B10R1.16 COCSc1csc(n1)C 62a_100011934587_100000766300 [0,2,0,0,0,0|2,0,0]=4 1496 B10R1.16 COCSc1nc(c[nH]1)C 62a_100000766300_100161115468 [0,2,0,0,0,0|2,0,0]=4 1497 B10R1.16 COCSc1nc(c[nH]1)C 62a_100161115468_100000766300 [0,2,0,0,0,0|2,0,0]=4 1498 B10R1.16 COCSc1nc(cs1)C 62a_100000766300_100011291629 [0,2,0,0,0,0|2,0,0]=4 1499 B10R1.16 COCSc1nc(cs1)C 62a_100011291629_100000766300 [0,2,0,0,0,0|2,0,0]=4 1500 B10R1.16 COCSc1ncc(s1)C 62a_100000690809_100000766300 [0,2,0,0,0,0|1,1,0]=4 1501 B10R1.16 COCSc1ncc(s1)C 62a_100000766300_100000690809 [0,2,0,0,0,0|1,1,0]=4 1502 B10R1.16 COCSc1nnc(o1)C 62a_100000766300_100000708914 [0,2,0,0,0,0|2,0,0]=4 1503 B10R1.16 CSCSc1ccc(s1)C 62a_100000031368_100011218213 [0,2,0,0,0,0|0,2,0]=4 1504 B10R1.16 CSCSc1ccc(s1)C 62a_100011218213_100000031368 [0,2,0,0,0,0|0,2,0]=4 1505 B10R1.16 Cc1c[nH]c(n1)SCCO 62a_100000211926_100161115468 [0,2,0,0,0,0|2,0,0]=4 1506 B10R1.16 Cc1c[nH]c(n1)SCCO 62a_100161115468_100000211926 [0,2,0,0,0,0|2,0,0]=4 1507 B10R1.16 Cc1cc(cs1)SCCO 62a_100000211926_100000759034 [0,2,0,0,0,0|2,0,0]=4 1508 B10R1.16 Cc1cc(cs1)SCCO 62a_100000759034_100000211926 [0,2,0,0,0,0|2,0,0]=4 1509 B10R1.16 Cc1ccc(o1)CCN[13CH3] 2230a_100000739271_200025704644 [0,2,0,0,0,0|1,0,0]=3 1510 B10R1.16 Cc1ccc(o1)CCN[13CH3] 34a_100000739271_200025704644 [0,2,0,0,0,0|1,0,0]=3 1511 B10R1.16 Cc1ccc(o1)CCO[13CH3] 34a_100012161071_200025704644 [0,2,0,0,0,0|0,0,0]=2 1512 B10R1.16 Cc1ccc(o1)CCO[13CH3] 7a_100012161071_200025704644 [0,2,0,0,0,0|0,0,0]=2 1513 B10R1.16 Cc1ccc(o1)CNCF 34a_100011194323_100015361967 [0,2,0,0,0,0|1,0,0]=3 1514 B10R1.16 Cc1ccc(o1)COCF 34a_100011232665_100015361967 [0,2,0,0,0,0|0,0,0]=2 1515 B10R1.16 Cc1ccc(o1)COCF 7a_100011232665_100015361967 [0,2,0,0,0,0|0,0,0]=2 1516 B10R1.16 Cc1ccc(s1)COCF 34a_100000238367_100015361967 [0,2,0,0,0,0|0,1,0]=3 1517 B10R1.16 Cc1ccc(s1)SCC#N 62a_100000031368_100011215382 [0,2,0,0,0,0|1,1,0]=4 1518 B10R1.16 Cc1ccc(s1)SCC#N 62a_100011215382_100000031368 [0,2,0,0,0,0|1,1,0]=4 1519 B10R1.16 Cc1ccc(s1)SCC=O 62a_100000031368_200015260668 [0,2,0,0,0,0|0,1,1]=4 1520 B10R1.16 Cc1ccc(s1)SCC=O 62a_200015260668_100000031368 [0,2,0,0,0,0|0,1,1]=4 1521 B10R1.16 Cc1ccc(s1)SCCF 62a_100000031368_100011217306 [0,2,0,0,0,0|1,1,0]=4 1522 B10R1.16 Cc1ccc(s1)SCCF 62a_100011217306_100000031368 [0,2,0,0,0,0|1,1,0]=4 1523 B10R1.16 Cc1ccc(s1)SCCO 62a_100000031368_100000211926 [0,2,0,0,0,0|0,1,0]=3 1524 B10R1.16 Cc1ccc(s1)SCCO 62a_100000211926_100000031368 [0,2,0,0,0,0|0,1,0]=3 1525 B10R1.16 Cc1cnc(o1)CNCF 34a_100138411809_100015361967 [0,2,0,0,0,0|2,0,0]=4 1526 B10R1.16 Cc1cnc(s1)SCCO 62a_100000211926_100000690809 [0,2,0,0,0,0|1,1,0]=4 1527 B10R1.16 Cc1cnc(s1)SCCO 62a_100000690809_100000211926 [0,2,0,0,0,0|1,1,0]=4 1528 B10R1.16 Cc1csc(c1)COCF 34a_200000068372_100015361967 [0,2,0,0,0,0|2,0,0]=4 1529 B10R1.16 Cc1csc(c1)COCF 7a_200000068372_100015361967 [0,2,0,0,0,0|2,0,0]=4 1530 B10R1.16 Cc1csc(c1)SCCO 62a_100000211926_100009876951 [0,2,0,0,0,0|2,0,0]=4 1531 B10R1.16 Cc1csc(c1)SCCO 62a_100009876951_100000211926 [0,2,0,0,0,0|2,0,0]=4 1532 B10R1.16 Cc1csc(n1)SCCO 62a_100000211926_100011291629 [0,2,0,0,0,0|2,0,0]=4 1533 B10R1.16 Cc1csc(n1)SCCO 62a_100011291629_100000211926 [0,2,0,0,0,0|2,0,0]=4 1534 B10R1.16 Cc1nc(c[nH]1)SCCO 62a_100000211926_100009814057 [0,2,0,0,0,0|2,0,0]=4 1535 B10R1.16 Cc1nc(c[nH]1)SCCO 62a_100009814057_100000211926 [0,2,0,0,0,0|2,0,0]=4 1536 B10R1.16 Cc1nc(co1)COCF 34a_100012017233_100015361967 [0,2,0,0,0,0|2,0,0]=4 1537 B10R1.16 Cc1nc(cs1)CCO[13CH3] 34a_100011934828_200025704644 [0,2,0,0,0,0|2,0,0]=4 1538 B10R1.16 Cc1nc(cs1)COCF 34a_100000735831_100015361967 [0,2,0,0,0,0|2,0,0]=4 1539 B10R1.16 Cc1nc(cs1)SCCO 62a_100000211926_100011934587 [0,2,0,0,0,0|2,0,0]=4 1540 B10R1.16 Cc1nc(cs1)SCCO 62a_100011934587_100000211926 [0,2,0,0,0,0|2,0,0]=4 1541 B10R1.16 Cc1ncc(s1)COCF 7a_100000743366_100015361967 [0,2,0,0,0,0|1,1,0]=4 1542 B10R1.16 Cc1ncc(s1)SCCO 62a_100000211926_100000764884 [0,2,0,0,0,0|1,1,0]=4 1543 B10R1.16 Cc1ncc(s1)SCCO 62a_100000764884_100000211926 [0,2,0,0,0,0|1,1,0]=4 1544 B10R1.16 Cc1nnc(o1)COCF 34a_100000749586_100015361967 [0,2,0,0,0,0|2,0,0]=4 1545 B10R1.16 Cc1nnc(o1)NCCO 27a_100000210304_100000708914 [0,2,0,0,0,0|2,0,0]=4 1546 B10R1.16 Cc1nnc(o1)SCCO 62a_100000211926_100000708914 [0,2,0,0,0,0|2,0,0]=4 1547 B10R1.16 Cn1ccc(n1)COCF 34a_100000744484_100015361967 [0,2,0,0,0,0|2,0,0]=4 1548 B10R1.16 Cn1ccc(n1)OCCO 34a_100012642153_100000211926 [0,2,0,0,0,0|2,0,0]=4 1549 B10R1.16 Cn1ccc(n1)SCCO 62a_100000211926_100000752436 [0,2,0,0,0,0|2,0,0]=4 1550 B10R1.16 Cn1ccc(n1)SCCO 62a_100000752436_100000211926 [0,2,0,0,0,0|2,0,0]=4 1551 B10R1.16 FCNCc1ccc(o1)Br 34a_100000708654_100015361967 [0,2,0,0,0,0|2,0,0]=4 1552 B10R1.16 FCOCc1ccc(o1)Br 34a_100000246276_100015361967 [0,2,0,0,0,0|1,0,0]=3 1553 B10R1.16 FCOCc1ccc(o1)Br 7a_100000246276_100015361967 [0,2,0,0,0,0|1,0,0]=3 1554 B10R1.16 OCCSc1ccc(s1)Br 62a_100000211926_100010197418 [0,2,0,0,0,0|1,1,0]=4 1555 B10R1.16 OCCSc1ccc(s1)Br 62a_100010197418_100000211926 [0,2,0,0,0,0|1,1,0]=4 1556 B10R1.54 CN(C)Cc1ccc(o1)Br 2230a_100000207588_200000210301 [0,2,0,0,0,0|2,0,0]=4 1557 B10R1.54 CN(C)Cc1ccc(o1)Br 269982a_100000207588_200000210301 [0,2,0,0,0,0|2,0,0]=4 1558 B10R1.54 CN(C)Cc1ccc(o1)Br 270004a_100102631434_100000185145 [0,2,0,0,0,0|2,0,0]=4 1559 B10R1.54 CN(C)Cc1ccc(o1)Cl 270004a_100102631434_100000188459 [0,2,0,0,0,0|2,0,0]=4 1560 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 2230a_100000207588_200025704644 [0,2,0,0,0,0|2,0,0]=4 1561 B10R1.54 CN([13CH3])Cc1ccc(o1)Br 269982a_100000207588_200025704644 [0,2,0,0,0,0|2,0,0]=4 1562 B10R1.54 Cc1ccc(o1)CN(C)C 2230a_100000184526_200000210301 [0,2,0,0,0,0|1,0,0]=3 1563 B10R1.54 Cc1ccc(o1)CN(C)C 269982a_100000184526_200000210301 [0,2,0,0,0,0|1,0,0]=3 1564 B10R1.54 Cc1ccc(o1)CN(C)C 270004a_100102631434_100000183696 [0,2,0,0,0,0|1,0,0]=3 1565 B10R1.54 Cc1ccc(o1)CN(C)C 34a_100000184526_200000210301 [0,2,0,0,0,0|1,0,0]=3 1566 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 2230a_100000184526_200025704644 [0,2,0,0,0,0|1,0,0]=3 1567 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 269982a_100000184526_200025704644 [0,2,0,0,0,0|1,0,0]=3 1568 B10R1.54 Cc1ccc(o1)CN(C)[13CH3] 34a_100000184526_200025704644 [0,2,0,0,0,0|1,0,0]=3 1569 B10R1.54 Cc1ccc(s1)CN(C)C 2230a_100000751125_200000210301 [0,2,0,0,0,0|1,1,0]=4 1570 B10R1.54 Cc1ccc(s1)CN(C)C 269982a_100000751125_200000210301 [0,2,0,0,0,0|1,1,0]=4 1571 B10R1.54 Cc1ccc(s1)CN(C)C 270004a_100102631434_100000211121 [0,2,0,0,0,0|1,1,0]=4 1572 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 2230a_100000751125_200025704644 [0,2,0,0,0,0|1,1,0]=4 1573 B10R1.54 Cc1ccc(s1)CN(C)[13CH3] 269982a_100000751125_200025704644 [0,2,0,0,0,0|1,1,0]=4 1574 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000031368_100000210206 [0,2,0,0,0,0|1,1,0]=4 1575 B10R1.54 Cc1ccc(s1)SC(C)C 62a_100000210206_100000031368 [0,2,0,0,0,0|1,1,0]=4 1576 B10R1.54 Cc1ncc(o1)CN(C)C 270004a_100102631434_100000084308 [0,2,0,0,0,0|2,0,0]=4 1577 B10R1.94 CNCc1ccc(n1C)C 34a_100000744627_200000210301 [0,2,0,0,0,0|2,0,0]=4 1578 B10R1.94 Cc1ccc(n1C)CN[13CH3] 34a_100000744627_200025704644 [0,2,0,0,0,0|2,0,0]=4 1579 B10R1.96 C=C=Cc1ccc(o1)CN 271570a_100015277604_100000708654 [0,2,0,0,0,0|1,0,1]=4 1580 B10R1.96 C=C=Cc1ccc(o1)CO 271570a_100015277604_100000246276 [0,2,0,0,0,0|0,0,1]=3 1581 B10R1.96 C=C=Cc1ccc(s1)CO 271570a_100015277604_100000246291 [0,2,0,0,0,0|0,1,1]=4 1582 B10R1.96 C=Cc1ccc(o1)CNC 271570a_100011290941_100000207588 [0,2,0,0,0,0|1,0,1]=4 1583 B10R1.96 CC=Cc1ccc(o1)C#N 271570a_100016259895_100000764468 [0,2,0,0,0,0|1,0,1]=4 1584 B10R1.96 CC=Cc1ccc(o1)C=O 271570a_100016259895_100000185145 [0,2,0,0,0,0|0,0,2]=4 1585 B10R1.96 CC=Cc1ccc(o1)CN 271570a_100016259895_100000708654 [0,2,0,0,0,0|1,0,0]=3 1586 B10R1.96 CC=Cc1ccc(o1)CO 271570a_100016259895_100000246276 [0,2,0,0,0,0|0,0,0]=2 1587 B10R1.96 CC=Cc1ccc(s1)CC 271570a_100016259895_100009844052 [0,2,0,0,0,0|1,1,0]=4 1588 B10R1.96 CC=Cc1ccc(s1)CN 271570a_100016259895_100000737305 [0,2,0,0,0,0|1,1,0]=4 1589 B10R1.96 CC=Cc1ccc(s1)CO 271570a_100016259895_100000246291 [0,2,0,0,0,0|0,1,0]=3 1590 B10R1.96 CC=Cc1cnc(s1)CO 271570a_100016259895_100000696694 [0,2,0,0,0,0|1,1,0]=4 1591 B10R1.96 CC=Cc1csc(c1)CO 271570a_100016259895_100000238369 [0,2,0,0,0,0|2,0,0]=4 1592 B10R1.96 CC=Cc1csc(n1)CO 271570a_100016259895_100012000107 [0,2,0,0,0,0|2,0,0]=4 1593 B10R1.96 CC=Cc1nc(cs1)CO 271570a_100016259895_100009816749 [0,2,0,0,0,0|2,0,0]=4 1594 B10R1.96 CC=Cc1ncc(s1)CO 271570a_100016259895_100009816753 [0,2,0,0,0,0|1,1,0]=4 1595 B10R1.96 CCCc1ccc(s1)SC 62a_100010157708_200000210301 [0,2,0,0,0,0|1,1,0]=4 1596 B10R1.96 CCCc1ccc(s1)SC 62a_200000210301_100010157708 [0,2,0,0,0,0|1,1,0]=4 1597 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_100010157708_200025704644 [0,2,0,0,0,0|1,1,0]=4 1598 B10R1.96 CCCc1ccc(s1)S[13CH3] 62a_200025704644_100010157708 [0,2,0,0,0,0|1,1,0]=4 1599 B10R1.96 CCSc1ccc(o1)C#N 62a_100000210202_100000764468 [0,2,0,0,0,0|1,0,1]=4 1600 B10R1.96 CCSc1ccc(o1)C=O 62a_100000210202_100000186757 [0,2,0,0,0,0|0,0,2]=4 1601 B10R1.96 CCSc1ccc(o1)CN 62a_100000210202_100000708654 [0,2,0,0,0,0|1,0,0]=3 1602 B10R1.96 CCSc1ccc(o1)CO 62a_100000210202_100000246276 [0,2,0,0,0,0|0,0,0]=2 1603 B10R1.96 CCSc1ccc(o1)CO 62a_100000246276_100000210202 [0,2,0,0,0,0|0,0,0]=2 1604 B10R1.96 CCSc1ccc(s1)CC 62a_100000210202_100009844052 [0,2,0,0,0,0|1,1,0]=4 1605 B10R1.96 CCSc1ccc(s1)CC 62a_100009844052_100000210202 [0,2,0,0,0,0|1,1,0]=4 1606 B10R1.96 CCSc1ccc(s1)CN 62a_100000210202_100000737305 [0,2,0,0,0,0|1,1,0]=4 1607 B10R1.96 CCSc1ccc(s1)CN 62a_100000737305_100000210202 [0,2,0,0,0,0|1,1,0]=4 1608 B10R1.96 CCSc1ccc(s1)CO 62a_100000210202_100000246291 [0,2,0,0,0,0|0,1,0]=3 1609 B10R1.96 CCSc1ccc(s1)CO 62a_100000246291_100000210202 [0,2,0,0,0,0|0,1,0]=3 1610 B10R1.96 CCSc1cnc(s1)CO 62a_100000210202_100000696694 [0,2,0,0,0,0|1,1,0]=4 1611 B10R1.96 CCSc1cnc(s1)CO 62a_100000696694_100000210202 [0,2,0,0,0,0|1,1,0]=4 1612 B10R1.96 CCSc1csc(c1)CO 62a_100000210202_100000238369 [0,2,0,0,0,0|2,0,0]=4 1613 B10R1.96 CCSc1csc(c1)CO 62a_100000238369_100000210202 [0,2,0,0,0,0|2,0,0]=4 1614 B10R1.96 CCSc1csc(n1)CO 62a_100000210202_100012000107 [0,2,0,0,0,0|2,0,0]=4 1615 B10R1.96 CCSc1csc(n1)CO 62a_100012000107_100000210202 [0,2,0,0,0,0|2,0,0]=4 1616 B10R1.96 CCSc1nc(cs1)CO 62a_100000210202_100009816749 [0,2,0,0,0,0|2,0,0]=4 1617 B10R1.96 CCSc1nc(cs1)CO 62a_100009816749_100000210202 [0,2,0,0,0,0|2,0,0]=4 1618 B10R1.96 CCSc1ncc(s1)CO 62a_100000210202_100009816753 [0,2,0,0,0,0|1,1,0]=4 1619 B10R1.96 CCSc1ncc(s1)CO 62a_100009816753_100000210202 [0,2,0,0,0,0|1,1,0]=4 1620 B10R1.96 CCc1ccc(o1)CNC 207a_100102657272_100000743199 [0,2,0,0,0,0|1,0,0]=3 1621 B10R1.96 CCc1ccc(o1)CNC 270004a_106832991635_100000743199 [0,2,0,0,0,0|1,0,0]=3 1622 B10R1.96 CCc1ccc(s1)CNC 207a_100102657272_100000746206 [0,2,0,0,0,0|1,1,0]=4 1623 B10R1.96 CCc1ccc(s1)CNC 270004a_106832991635_100000746206 [0,2,0,0,0,0|1,1,0]=4 1624 B10R1.96 CCc1ccc(s1)SCF 62a_100009844052_100015361967 [0,2,0,0,0,0|1,1,0]=4 1625 B10R1.96 CCc1ccc(s1)SCF 62a_100015361967_100009844052 [0,2,0,0,0,0|1,1,0]=4 1626 B10R1.96 CCc1nc(cs1)COC 34a_100138415774_100020603300 [0,2,0,0,0,0|2,0,0]=4 1627 B10R1.96 CCc1nc(cs1)COC 7a_100000753294_200000210301 [0,2,0,0,0,0|2,0,0]=4 1628 B10R1.96 CCc1nc(cs1)CO[13CH3] 7a_100000753294_200025704644 [0,2,0,0,0,0|2,0,0]=4 1629 B10R1.96 CCn1ccc(n1)COC 34a_100138415774_100000094151 [0,2,0,0,0,0|2,0,0]=4 1630 B10R1.96 CNCc1ccc(o1)C#N 2230a_106832991635_100009822536 [0,2,0,0,0,0|1,0,1]=4 1631 B10R1.96 CNCc1ccc(o1)C#N 34a_100102657272_100009822536 [0,2,0,0,0,0|1,0,1]=4 1632 B10R1.96 CNCc1ccc(o1)C#N 7a_106832991635_100009822536 [0,2,0,0,0,0|1,0,1]=4 1633 B10R1.96 CNCc1ccc(o1)C=O 2230a_106832991635_200000079136 [0,2,0,0,0,0|0,0,2]=4 1634 B10R1.96 CNCc1ccc(o1)C=O 34a_100102657272_200000079136 [0,2,0,0,0,0|0,0,2]=4 1635 B10R1.96 CNCc1ccc(o1)C=O 7a_106832991635_200000079136 [0,2,0,0,0,0|0,0,2]=4 1636 B10R1.96 CNCc1ccc(o1)CO 207a_100102657272_100000758743 [0,2,0,0,0,0|0,0,0]=2 1637 B10R1.96 CNCc1ccc(o1)CO 270004a_106832991635_100000758743 [0,2,0,0,0,0|0,0,0]=2 1638 B10R1.96 CNCc1ccc(o1)SC 62a_200000210301_100000207588 [0,2,0,0,0,0|1,0,0]=3 1639 B10R1.96 CNCc1ccc(o1)S[13CH3] 62a_200025704644_100000207588 [0,2,0,0,0,0|1,0,0]=3 1640 B10R1.96 CNCc1ccc(s1)SC 207a_100102657272_100000720245 [0,2,0,0,0,0|1,1,0]=4 1641 B10R1.96 CNCc1ccc(s1)SC 270004a_106832991635_100000720245 [0,2,0,0,0,0|1,1,0]=4 1642 B10R1.96 COCc1cc(cs1)SC 62a_100011542528_200000210301 [0,2,0,0,0,0|2,0,0]=4 1643 B10R1.96 COCc1cc(cs1)SC 62a_200000210301_100011542528 [0,2,0,0,0,0|2,0,0]=4 1644 B10R1.96 COCc1cc(cs1)S[13CH3] 62a_100011542528_200025704644 [0,2,0,0,0,0|2,0,0]=4 1645 B10R1.96 COCc1cc(cs1)S[13CH3] 62a_200025704644_100011542528 [0,2,0,0,0,0|2,0,0]=4 1646 B10R1.96 COCc1ccc(o1)C#N 34a_100138415774_100009822536 [0,2,0,0,0,0|0,0,1]=3 1647 B10R1.96 COCc1ccc(o1)C=O 34a_100138415774_200000079136 [0,2,0,0,0,0|0,0,1]=3 1648 B10R1.96 COCc1ccc(s1)C#N 34a_100138415774_100010188212 [0,2,0,0,0,0|0,1,1]=4 1649 B10R1.96 CSCc1ccc(o1)C#N 62a_200000210301_100009822536 [0,2,0,0,0,0|0,1,1]=4 1650 B10R1.96 CSCc1ccc(o1)C=O 62a_200000210301_200000079136 [0,2,0,0,0,0|0,0,2]=4 1651 B10R1.96 CSc1ccc(s1)CC#N 62a_100000740997_200000210301 [0,2,0,0,0,0|1,1,0]=4 1652 B10R1.96 CSc1ccc(s1)CC#N 62a_200000210301_100000740997 [0,2,0,0,0,0|1,1,0]=4 1653 B10R1.96 CSc1ccc(s1)CCN 62a_100000217605_200000210301 [0,2,0,0,0,0|1,1,0]=4 1654 B10R1.96 CSc1ccc(s1)CCN 62a_200000210301_100000217605 [0,2,0,0,0,0|1,1,0]=4 1655 B10R1.96 CSc1ccn(n1)CCO 62a_200000210301_200010732121 [0,2,0,0,0,0|2,0,0]=4 1656 B10R1.96 CSc1ccn(n1)CCO 62a_200010732121_200000210301 [0,2,0,0,0,0|2,0,0]=4 1657 B10R1.96 N#Cc1ccc(o1)SCF 62a_100015361967_100000764468 [0,2,0,0,0,0|1,0,1]=4 1658 B10R1.96 NCc1ccc(o1)SCF 62a_100015361967_100000708654 [0,2,0,0,0,0|1,0,0]=3 1659 B10R1.96 NCc1ccc(s1)SCF 62a_100000737305_100015361967 [0,2,0,0,0,0|1,1,0]=4 1660 B10R1.96 NCc1ccc(s1)SCF 62a_100015361967_100000737305 [0,2,0,0,0,0|1,1,0]=4 1661 B10R1.96 O=Cc1ccc(o1)SCF 62a_100015361967_100000186757 [0,2,0,0,0,0|0,0,2]=4 1662 B10R1.96 OCc1cc(cs1)SCF 62a_100000238369_100015361967 [0,2,0,0,0,0|2,0,0]=4 1663 B10R1.96 OCc1cc(cs1)SCF 62a_100015361967_100000238369 [0,2,0,0,0,0|2,0,0]=4 1664 B10R1.96 OCc1ccc(o1)SCF 62a_100000246276_100015361967 [0,2,0,0,0,0|0,0,0]=2 1665 B10R1.96 OCc1ccc(o1)SCF 62a_100015361967_100000246276 [0,2,0,0,0,0|0,0,0]=2 1666 B10R1.96 OCc1ccc(s1)SCF 62a_100000246291_100015361967 [0,2,0,0,0,0|0,1,0]=3 1667 B10R1.96 OCc1ccc(s1)SCF 62a_100015361967_100000246291 [0,2,0,0,0,0|0,1,0]=3 1668 B10R1.96 OCc1cnc(s1)SCF 62a_100009816753_100015361967 [0,2,0,0,0,0|1,1,0]=4 1669 B10R1.96 OCc1cnc(s1)SCF 62a_100015361967_100009816753 [0,2,0,0,0,0|1,1,0]=4 1670 B10R1.96 OCc1csc(n1)SCF 62a_100009816749_100015361967 [0,2,0,0,0,0|2,0,0]=4 1671 B10R1.96 OCc1csc(n1)SCF 62a_100015361967_100009816749 [0,2,0,0,0,0|2,0,0]=4 1672 B10R1.96 OCc1nc(cs1)SCF 62a_100012000107_100015361967 [0,2,0,0,0,0|2,0,0]=4 1673 B10R1.96 OCc1nc(cs1)SCF 62a_100015361967_100012000107 [0,2,0,0,0,0|2,0,0]=4 1674 B10R1.96 OCc1ncc(s1)SCF 62a_100000696694_100015361967 [0,2,0,0,0,0|1,1,0]=4 1675 B10R1.96 OCc1ncc(s1)SCF 62a_100015361967_100000696694 [0,2,0,0,0,0|1,1,0]=4 1676 B10R1.96 [13CH3]SCc1ccc(o1)C#N 62a_200025704644_100009822536 [0,2,0,0,0,0|0,1,1]=4 1677 B10R1.96 [13CH3]SCc1ccc(o1)C=O 62a_200025704644_200000079136 [0,2,0,0,0,0|0,0,2]=4 1678 B10R1.96 [13CH3]Sc1ccc(s1)CC#N 62a_100000740997_200025704644 [0,2,0,0,0,0|1,1,0]=4 1679 B10R1.96 [13CH3]Sc1ccc(s1)CC#N 62a_200025704644_100000740997 [0,2,0,0,0,0|1,1,0]=4 1680 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_100000217605_200025704644 [0,2,0,0,0,0|1,1,0]=4 1681 B10R1.96 [13CH3]Sc1ccc(s1)CCN 62a_200025704644_100000217605 [0,2,0,0,0,0|1,1,0]=4 1682 B10R1.96 [13CH3]Sc1ccn(n1)CCO 62a_200010732121_200025704644 [0,2,0,0,0,0|2,0,0]=4 1683 B10R1.96 [13CH3]Sc1ccn(n1)CCO 62a_200025704644_200010732121 [0,2,0,0,0,0|2,0,0]=4 1684 B10R1.130 CCSc1sc(cc1C)C 62a_100000210202_100000689295 [0,2,0,0,0,0|1,1,0]=4 1685 B10R1.130 CCSc1sc(cc1C)C 62a_100000689295_100000210202 [0,2,0,0,0,0|1,1,0]=4 1686 B10R1.130 CNCc1oc(nc1C)C 207a_100102657272_100000734261 [0,2,0,0,0,0|2,0,0]=4 1687 B10R1.130 CNCc1sc(cc1Br)C 207a_100102657272_100011361552 [0,2,0,0,0,0|1,1,0]=4 1688 B10R1.130 CNCc1sc(cc1Br)C 270004a_106832991635_100011361552 [0,2,0,0,0,0|1,1,0]=4 1689 B10R1.130 COCc1cc(oc1C)C 34a_100000688432_200000210301 [0,2,0,0,0,0|2,0,0]=4 1690 B10R1.130 COCc1cc(oc1C)C 7a_100000688432_200000210301 [0,2,0,0,0,0|2,0,0]=4 1691 B10R1.130 COCc1nc(oc1C)C 34a_100000068805_200000210301 [0,2,0,0,0,0|2,0,0]=4 1692 B10R1.130 COCc1nc(oc1C)C 7a_100000068805_200000210301 [0,2,0,0,0,0|2,0,0]=4 1693 B10R1.130 COCc1nn(cc1Br)C 34a_100009816719_200000210301 [0,2,0,0,0,0|2,0,0]=4 1694 B10R1.130 COCc1nn(cc1Br)C 34a_100138415774_100009817083 [0,2,0,0,0,0|2,0,0]=4 1695 B10R1.130 COCc1sc(nc1Br)C 34a_100138415774_100015664652 [0,2,0,0,0,0|1,1,0]=4 1696 B10R1.130 COCc1sc(nc1C)C 34a_100000750043_200000210301 [0,2,0,0,0,0|1,1,0]=4 1697 B10R1.130 COCc1sc(nc1C)C 34a_100138415774_100000760948 [0,2,0,0,0,0|1,1,0]=4 1698 B10R1.130 COCc1sc(nc1C)C 7a_100000750043_200000210301 [0,2,0,0,0,0|1,1,0]=4 1699 B10R1.130 COCn1nc(cc1C)C 34a_100000032810_200000210301 [0,2,0,0,0,0|2,0,0]=4 1700 B10R1.130 COCn1nc(cc1C)C 7a_100000032810_200000210301 [0,2,0,0,0,0|2,0,0]=4 1701 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 34a_100000688432_200025704644 [0,2,0,0,0,0|2,0,0]=4 1702 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 7a_100000688432_200025704644 [0,2,0,0,0,0|2,0,0]=4 1703 B10R1.130 Cc1cc(c(s1)SCF)C 62a_100000689295_100015361967 [0,2,0,0,0,0|1,1,0]=4 1704 B10R1.130 Cc1cc(c(s1)SCF)C 62a_100015361967_100000689295 [0,2,0,0,0,0|1,1,0]=4 1705 B10R1.130 Cc1cc(n(n1)CO[13CH3])C 34a_100000032810_200025704644 [0,2,0,0,0,0|2,0,0]=4 1706 B10R1.130 Cc1cc(n(n1)CO[13CH3])C 7a_100000032810_200025704644 [0,2,0,0,0,0|2,0,0]=4 1707 B10R1.130 Cc1nc(c(o1)C)CO[13CH3] 34a_100000068805_200025704644 [0,2,0,0,0,0|2,0,0]=4 1708 B10R1.130 Cc1nc(c(o1)C)CO[13CH3] 7a_100000068805_200025704644 [0,2,0,0,0,0|2,0,0]=4 1709 B10R1.130 Cc1nc(c(s1)CO[13CH3])C 34a_100000750043_200025704644 [0,2,0,0,0,0|1,1,0]=4 1710 B10R1.130 Cc1nc(c(s1)CO[13CH3])C 7a_100000750043_200025704644 [0,2,0,0,0,0|1,1,0]=4 1711 B10R1.130 Cn1cc(c(n1)CO[13CH3])Br 34a_100009816719_200025704644 [0,2,0,0,0,0|2,0,0]=4 1712 B10R1.131 CCSc1cc(c(s1)C)C 62a_100000210202_100009850898 [0,2,0,0,0,0|1,1,0]=4 1713 B10R1.131 CCSc1cc(c(s1)C)C 62a_100009850898_100000210202 [0,2,0,0,0,0|1,1,0]=4 1714 B10R1.131 CNCc1cc(c(o1)Br)Br 207a_100102657272_100000188521 [0,2,0,0,0,0|2,0,0]=4 1715 B10R1.131 CNCc1cc(c(o1)Br)Br 270004a_106832991635_100000188521 [0,2,0,0,0,0|2,0,0]=4 1716 B10R1.131 CNCc1cc(c(s1)C)Br 207a_100102657272_100000708457 [0,2,0,0,0,0|1,1,0]=4 1717 B10R1.131 CNCc1cc(c(s1)C)Br 270004a_106832991635_100000708457 [0,2,0,0,0,0|1,1,0]=4 1718 B10R1.131 CNCc1cc(c(s1)C)C 207a_100102657272_100011830369 [0,2,0,0,0,0|1,1,0]=4 1719 B10R1.131 CNCc1cc(c(s1)C)C 270004a_106832991635_100011830369 [0,2,0,0,0,0|1,1,0]=4 1720 B10R1.131 COCc1cc(n(n1)C)C 34a_100011219459_200000210301 [0,2,0,0,0,0|2,0,0]=4 1721 B10R1.131 COCc1cc(n(n1)C)C 34a_100138415774_100000761402 [0,2,0,0,0,0|2,0,0]=4 1722 B10R1.131 COCc1nc(c(s1)C)C 34a_100138415774_100012347604 [0,2,0,0,0,0|1,1,0]=4 1723 B10R1.131 COCc1nc(c(s1)C)C 7a_100000760949_200000210301 [0,2,0,0,0,0|1,1,0]=4 1724 B10R1.131 Cc1cc(nn1C)CO[13CH3] 34a_100011219459_200025704644 [0,2,0,0,0,0|2,0,0]=4 1725 B10R1.131 Cc1cc(sc1C)SCF 62a_100009850898_100015361967 [0,2,0,0,0,0|1,1,0]=4 1726 B10R1.131 Cc1cc(sc1C)SCF 62a_100015361967_100009850898 [0,2,0,0,0,0|1,1,0]=4 1727 B10R1.131 Cc1nc(sc1C)CO[13CH3] 7a_100000760949_200025704644 [0,2,0,0,0,0|1,1,0]=4 1728 B10R1.31 C=C(C)c1ccc(o1)C#N 271570a_100000694244_100000764468 [0,2,0,0,0,0|1,0,1]=4 1729 B10R1.31 C=C(C)c1ccc(o1)C=O 271570a_100000694244_100000185145 [0,2,0,0,0,0|0,0,2]=4 1730 B10R1.31 C=C(C)c1ccc(o1)CN 271570a_100000694244_100000708654 [0,2,0,0,0,0|1,0,0]=3 1731 B10R1.31 C=C(C)c1ccc(o1)CO 271570a_100000694244_100000246276 [0,2,0,0,0,0|0,0,0]=2 1732 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [0,2,0,0,0,0|1,1,0]=4 1733 B10R1.31 C=C(C)c1ccc(s1)CN 271570a_100000694244_100000737305 [0,2,0,0,0,0|1,1,0]=4 1734 B10R1.31 C=C(C)c1ccc(s1)CO 271570a_100000694244_100000246291 [0,2,0,0,0,0|0,1,0]=3 1735 B10R1.31 C=C(C)c1cnc(s1)CO 271570a_100000694244_100000696694 [0,2,0,0,0,0|1,1,0]=4 1736 B10R1.31 C=C(C)c1csc(c1)CO 271570a_100000694244_100000238369 [0,2,0,0,0,0|2,0,0]=4 1737 B10R1.31 C=C(C)c1csc(n1)CO 271570a_100000694244_100012000107 [0,2,0,0,0,0|2,0,0]=4 1738 B10R1.31 C=C(C)c1nc(cs1)CO 271570a_100000694244_100009816749 [0,2,0,0,0,0|2,0,0]=4 1739 B10R1.31 C=C(C)c1ncc(s1)CO 271570a_100000694244_100009816753 [0,2,0,0,0,0|1,1,0]=4 1740 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [0,2,0,0,0,0|1,0,1]=4 1741 B10R1.31 C=Cc1ccc(o1)C(F)F 271570a_100011290941_100010688628 [0,2,0,0,0,0|1,0,1]=4 1742 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,2,0,0,0,0|0,0,2]=4 1743 B10R1.31 CC(N)c1ccc(s1)S[13CH3] 62a_100102723530_200025704644 [0,2,0,0,0,0|1,1,0]=4 1744 B10R1.31 CC(N)c1ccc(s1)S[13CH3] 62a_200025704644_100102723530 [0,2,0,0,0,0|1,1,0]=4 1745 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,2,0,0,0,0|0,0,2]=4 1746 B10R1.31 CSc1ccc(o1)C(F)F 62a_200000210301_100010688628 [0,2,0,0,0,0|1,0,0]=3 1747 B10R1.31 CSc1ccc(s1)B(O)O 62a_100009813780_200000210301 [0,2,0,0,0,0|1,1,0]=4 1748 B10R1.31 CSc1ccc(s1)B(O)O 62a_200000210301_100009813780 [0,2,0,0,0,0|1,1,0]=4 1749 B10R1.31 CSc1ccc(s1)C(C)N 62a_100102723530_200000210301 [0,2,0,0,0,0|1,1,0]=4 1750 B10R1.31 CSc1ccc(s1)C(C)N 62a_200000210301_100102723530 [0,2,0,0,0,0|1,1,0]=4 1751 B10R1.31 CSc1ccc(s1)C(F)F 62a_100000733805_200000210301 [0,2,0,0,0,0|1,1,0]=4 1752 B10R1.31 CSc1ccc(s1)C(F)F 62a_200000210301_100000733805 [0,2,0,0,0,0|1,1,0]=4 1753 B10R1.31 [13CH3]Sc1ccc(o1)C(F)F 62a_200025704644_100010688628 [0,2,0,0,0,0|1,0,0]=3 1754 B10R1.31 [13CH3]Sc1ccc(s1)B(O)O 62a_100009813780_200025704644 [0,2,0,0,0,0|1,1,0]=4 1755 B10R1.31 [13CH3]Sc1ccc(s1)B(O)O 62a_200025704644_100009813780 [0,2,0,0,0,0|1,1,0]=4 1756 B10R1.31 [13CH3]Sc1ccc(s1)C(F)F 62a_100000733805_200025704644 [0,2,0,0,0,0|1,1,0]=4 1757 B10R1.31 [13CH3]Sc1ccc(s1)C(F)F 62a_200025704644_100000733805 [0,2,0,0,0,0|1,1,0]=4 1758 B10R1.35 C=Cc1cc(sc1C)CO 271570a_100011290941_100013897464 [0,2,0,0,0,0|0,1,0]=3 1759 B10R1.35 CSc1cc(sc1C)CO 62a_100013897464_200000210301 [0,2,0,0,0,0|0,1,0]=3 1760 B10R1.35 CSc1cc(sc1C)CO 62a_200000210301_100013897464 [0,2,0,0,0,0|0,1,0]=3 1761 B10R1.35 CSc1nc(c(s1)C)CO 62a_100010127906_200000210301 [0,2,0,0,0,0|2,0,0]=4 1762 B10R1.35 CSc1nc(c(s1)C)CO 62a_200000210301_100010127906 [0,2,0,0,0,0|2,0,0]=4 1763 B10R1.35 CSc1nc(c(s1)CO)C 62a_100010264302_200000210301 [0,2,0,0,0,0|1,1,0]=4 1764 B10R1.35 CSc1nc(c(s1)CO)C 62a_200000210301_100010264302 [0,2,0,0,0,0|1,1,0]=4 1765 B10R1.35 Cc1nc(sc1CO)S[13CH3] 62a_100010264302_200025704644 [0,2,0,0,0,0|1,1,0]=4 1766 B10R1.35 Cc1nc(sc1CO)S[13CH3] 62a_200025704644_100010264302 [0,2,0,0,0,0|1,1,0]=4 1767 B10R1.35 Cc1sc(cc1S[13CH3])CO 62a_100013897464_200025704644 [0,2,0,0,0,0|0,1,0]=3 1768 B10R1.35 Cc1sc(cc1S[13CH3])CO 62a_200025704644_100013897464 [0,2,0,0,0,0|0,1,0]=3 1769 B10R1.35 Cc1sc(nc1CO)S[13CH3] 62a_100010127906_200025704644 [0,2,0,0,0,0|2,0,0]=4 1770 B10R1.35 Cc1sc(nc1CO)S[13CH3] 62a_200025704644_100010127906 [0,2,0,0,0,0|2,0,0]=4 1771 B10R1.258 CSc1cnc(n1C)CO 62a_100009817024_200000210301 [0,2,0,0,0,0|2,0,0]=4 1772 B10R1.258 CSc1cnc(n1C)CO 62a_200000210301_100009817024 [0,2,0,0,0,0|2,0,0]=4 1773 B10R1.258 Cn1c(cnc1CO)S[13CH3] 62a_100009817024_200025704644 [0,2,0,0,0,0|2,0,0]=4 1774 B10R1.258 Cn1c(cnc1CO)S[13CH3] 62a_200025704644_100009817024 [0,2,0,0,0,0|2,0,0]=4 1775 B10R1.32 C=Cc1cn(nc1CO)C 271570a_100011290941_100009816719 [0,2,0,0,0,0|2,0,0]=4 1776 B10R1.32 C=Cc1sc(nc1CO)C 271570a_100011290941_100011103066 [0,2,0,0,0,0|2,0,0]=4 1777 B10R1.32 CSc1cn(nc1CO)C 62a_100009816719_200000210301 [0,2,0,0,0,0|2,0,0]=4 1778 B10R1.32 CSc1cn(nc1CO)C 62a_200000210301_100009816719 [0,2,0,0,0,0|2,0,0]=4 1779 B10R1.32 CSc1sc(nc1CO)C 62a_100011103066_200000210301 [0,2,0,0,0,0|2,0,0]=4 1780 B10R1.32 CSc1sc(nc1CO)C 62a_200000210301_100011103066 [0,2,0,0,0,0|2,0,0]=4 1781 B10R1.32 Cc1nc(c(s1)S[13CH3])CO 62a_100011103066_200025704644 [0,2,0,0,0,0|2,0,0]=4 1782 B10R1.32 Cc1nc(c(s1)S[13CH3])CO 62a_200025704644_100011103066 [0,2,0,0,0,0|2,0,0]=4 1783 B10R1.32 Cn1cc(c(n1)CO)S[13CH3] 62a_100009816719_200025704644 [0,2,0,0,0,0|2,0,0]=4 1784 B10R1.32 Cn1cc(c(n1)CO)S[13CH3] 62a_200025704644_100009816719 [0,2,0,0,0,0|2,0,0]=4 1785 B10R1.34 Cc1nn(c(c1O)C)CO 271570a_203496583355_100009992181 [0,2,0,0,0,0|2,0,0]=4 1786 B10R1.59 Cc1cc(c(s1)B(O)O)O 271570a_203496583355_200010138670 [0,2,0,0,0,0|1,1,0]=4 1787 B10R1.58 Cc1sc(cc1O)B(O)O 271570a_203496583355_100010218474 [0,2,0,0,0,0|1,1,0]=4 1788 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [0,0,1,1,0,0|1,0,1]=4 1789 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [0,0,1,1,0,0|1,0,1]=4 1790 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [0,0,1,1,0,0|2,0,0]=4 1791 B8R1.3 Cc1ccc(nn1)O 271570a_203496583355_100011450037 [0,0,1,1,0,0|2,0,0]=4 1792 B8R1.5 Oc1ccccc1O 271570a_203496583355_100000739446 [0,0,1,1,0,0|0,0,2]=4 1793 B8R1.5 Oc1cccnc1O 271570a_203496583355_100000034122 [0,0,1,1,0,0|1,0,1]=4 1794 B10R2.14 Cc1ccc(s1)C2CC2 271570a_100011220607_100000761539 [0,1,0,1,0,0|1,1,0]=4 1795 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,1,0,1,0|2,0,0]=4 1796 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [0,0,1,0,1,0|2,0,0]=4