0 B10R1.59 C=C(C)c1cc(nn1C)C 271570a_100000694244_100009818511 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.59 C=C(C)c1cc(nn1C)N 271570a_100000694244_100116209741 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.59 C=C(C)c1cc(sc1C)C 271570a_100000694244_100000688054 [0,0,0,0,0,0|1,1,0]=2 3 B10R1.59 C=C(C)c1cc(sc1Cl)Cl 271570a_100000694244_100010244177 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.59 C=C(C)c1cn(nc1C)C 271570a_100000694244_100011996311 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.59 C=C(C)c1cn(nc1N)C 271570a_100000694244_100010776223 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.59 C=C(C)c1nc(cn1C)C 271570a_100000694244_100009816808 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.59 C=C(C)c1nc(sc1C)C 271570a_100000694244_100010270876 [0,0,0,0,0,0|2,1,0]=3 8 B10R1.59 C=C(C)c1nc(sc1C)N 271570a_100000694244_100009817509 [0,0,0,0,0,0|3,1,0]=4 9 B10R1.59 C=C(C)c1nn(cc1C)C 271570a_100000694244_100012644376 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.59 C=C(C)c1nn(nc1C)C 271570a_100000694244_200009884731 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.59 C=C(C)c1sc(cc1C)C 271570a_100000694244_100000689295 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.59 C=C(C)c1sc(nc1C)C 271570a_100000694244_100009814099 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [0,0,0,0,0,0|1,0,3]=4 14 B10R1.59 CC(=O)c1sc(nc1C)O 271570a_203496583355_100010106820 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.22 C=Cc1cc(nn1C)C 271570a_100011290941_100009818511 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.22 C=Cc1cc(sc1C)C 271570a_100011290941_100000688054 [1,0,0,0,0,0|0,1,1]=3 17 B9R1.22 C=Cc1cn(nc1C)C 271570a_100011290941_100011996311 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.22 C=Cc1nc(sc1C)C 271570a_100011290941_100010270876 [1,0,0,0,0,0|1,1,1]=4 19 B9R1.22 C=Cc1sc(cc1C)C 271570a_100011290941_100000689295 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.22 C=Cc1sc(nc1C)C 271570a_100011290941_100009814099 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.22 COc1cc(nn1C)C 34a_100000738638_200000210301 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.22 CSc1cc(nn1C)C 62a_100009818511_200000210301 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.22 CSc1cc(nn1C)C 62a_200000210301_100009818511 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [1,0,0,0,0,0|1,1,0]=3 25 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [1,0,0,0,0,0|1,1,0]=3 26 B9R1.22 CSc1cn(nc1C)C 62a_100011996311_200000210301 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.22 CSc1cn(nc1C)C 62a_200000210301_100011996311 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.22 CSc1nc([nH]c1C)C 62a_200000210301_200009820778 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.22 CSc1nc([nH]c1C)C 62a_200009820778_200000210301 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.22 CSc1nc(sc1C)C 62a_100010270876_200000210301 [1,0,0,0,0,0|2,1,0]=4 31 B9R1.22 CSc1nc(sc1C)C 62a_200000210301_100010270876 [1,0,0,0,0,0|2,1,0]=4 32 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.22 CSc1sc(nc1C)C 62a_100009814099_200000210301 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.22 CSc1sc(nc1C)C 62a_200000210301_100009814099 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [1,0,0,0,0,0|1,1,0]=3 37 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [1,0,0,0,0,0|1,1,0]=3 38 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.22 Cc1cc(n(n1)C)O[13CH3] 34a_100000738638_200025704644 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_100009818511_200025704644 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_200025704644_100009818511 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200009820778_200025704644 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200025704644_200009820778 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_100010270876_200025704644 [1,0,0,0,0,0|2,1,0]=4 48 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_200025704644_100010270876 [1,0,0,0,0,0|2,1,0]=4 49 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_100009814099_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_200025704644_100009814099 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.22 Cc1nc(sc1C=O)O 271570a_203496583355_100010339034 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_100011996311_200025704644 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_200025704644_100011996311 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.22 Cc1oc(nc1C=O)O 271570a_203496583355_200010262729 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.35 C=C(C)c1cc([nH]n1)C 271570a_100000694244_100015199547 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.35 C=C(C)c1cc(ns1)C 271570a_100000694244_100009815735 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.35 C=C(C)c1cnn(c1)C 271570a_100000694244_100000748075 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [1,0,0,0,0,0|1,1,0]=3 63 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [1,0,0,0,0,0|2,1,0]=4 64 B9R1.35 C=C(C)c1noc(n1)C 271570a_100000694244_100012003639 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [1,0,0,0,0,0|1,1,0]=3 73 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [1,0,0,0,0,0|2,1,0]=4 75 B9R1.41 C=C(C)c1c[nH]nc1C 271570a_100000694244_100011912673 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [1,0,0,0,0,0|1,1,0]=3 78 B9R1.41 C=C(C)c1cnoc1C 271570a_100000694244_100009872056 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [1,0,0,0,0,0|2,1,0]=4 82 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.49 C=C(C)c1cc(sc1C=O)C 271570a_100000694244_100011361552 [0,1,0,0,0,0|1,1,1]=4 87 B11R1.49 C=C(C)c1cn(nc1CC)C 271570a_100000694244_100012396458 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.49 C=C(C)c1cn(nc1CO)C 271570a_100000694244_100009816719 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.49 C=C(C)c1cn(nc1OC)C 271570a_100000694244_100015475556 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.49 C=C(C)c1sc(nc1CO)C 271570a_100000694244_100011103066 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.50 C=C(C)c1cc(sc1C)C=O 271570a_100000694244_100000708457 [0,1,0,0,0,0|1,1,1]=4 92 B11R1.50 C=C(C)c1cc(sc1C)CO 271570a_100000694244_100013897464 [0,1,0,0,0,0|1,1,0]=3 93 B11R1.50 C=C(C)c1sc(nc1C)CC 271570a_100000694244_100010138847 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.50 C=Cc1nc(c(s1)C(=O)C)C 271570a_100011290941_100010106820 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.50 CC(=O)c1sc(nc1C)S[13CH3] 62a_100010106820_200025704644 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.50 CC(=O)c1sc(nc1C)S[13CH3] 62a_200025704644_100010106820 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.50 CNc1nc(c(s1)C(=O)C)C 27a_100102657272_100010106820 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.50 CSc1nc(c(s1)C(=O)C)C 62a_100010106820_200000210301 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.50 CSc1nc(c(s1)C(=O)C)C 62a_200000210301_100010106820 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.225 CNC(C)c1cc(oc1C)C 269862a_106832991636_100000211562 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.225 CNC(C)c1cc(sc1C)C 269862a_106832991636_100000199029 [0,1,0,0,0,0|1,1,1]=4 102 B11R1.225 COC(=O)c1cc(cn1C)O 271570a_203496583355_100000240937 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.225 COC(=O)c1cc(nn1C)O 271570a_203496583355_100014069049 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.225 COC(=O)c1cc(sc1C)O 271570a_203496583355_100010187159 [0,1,0,0,0,0|1,1,0]=3 105 B11R1.225 COC(=O)c1cc(sc1O)C 271570a_203496583355_100009817063 [0,1,0,0,0,0|1,1,0]=3 106 B11R1.225 COC(=O)c1nc(sc1C)O 271570a_203496583355_100000719214 [0,1,0,0,0,0|2,1,0]=4 107 B11R1.225 COC(=O)c1nc(sc1O)C 271570a_203496583355_100000730370 [0,1,0,0,0,0|2,1,0]=4 108 B11R1.225 COC(=O)c1oc(cc1C)O 271570a_203496583355_100000737583 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.225 COC(=O)c1sc(cc1O)C 271570a_203496583355_100009817204 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.225 COC(=O)c1sc(nc1C)O 271570a_203496583355_100010220626 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.673 C=C(C)c1c(nn(c1C)C)C 271570a_100000694244_100000239273 [0,1,0,0,0,0|3,0,0]=4 112 B9R0.48 CC=CC(=NNC(=O)C)C 4a_100000189765_100011218416 [0,0,1,0,0,0|3,0,0]=4 113 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,1,0,0,0|1,0,1]=3 114 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,1,0,0,0|1,0,1]=3 115 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [0,0,1,0,0,0|3,0,0]=4 116 B9R0.53 C=C(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748629 [0,0,1,0,0,0|3,0,0]=4 117 B9R0.53 C=C(C)CC(=O)C=C(C)I 1458a_100025716642_100000748629 [0,0,1,0,0,0|3,0,0]=4 118 B11R2.356 Cc1cc(c(s1)C)C2CC2 271570a_100011220607_100000688054 [0,0,0,1,0,0|1,1,1]=4 119 B11R1.74 C=C(C)c1cc([nH]c(=O)c1)C 271570a_100000694244_100009861981 [0,0,0,0,0,1|3,0,0]=4 120 B11R1.74 C=C(C)c1cc(cc(c1)C)C 271570a_100000694244_100011215608 [0,0,0,0,0,1|2,0,0]=3 121 B11R1.74 C=C(C)c1cc(cc(c1)Cl)C 271570a_100000694244_100010172791 [0,0,0,0,0,1|3,0,0]=4 122 B11R1.74 C=C(C)c1cc(cc(c1)F)C 271570a_100000694244_100011356977 [0,0,0,0,0,1|3,0,0]=4 123 B11R1.74 C=C(C)c1cc(cc(c1)N)C 271570a_100000694244_100000695972 [0,0,0,0,0,1|3,0,0]=4 124 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [0,0,0,0,0,1|3,0,0]=4 125 B11R1.74 C=C(C)c1cc(cc(n1)C)C 271570a_100000694244_100000069240 [0,0,0,0,0,1|2,0,0]=3 126 B11R1.74 C=C(C)c1cc(cc(n1)F)C 271570a_100000694244_100009819601 [0,0,0,0,0,1|3,0,0]=4 127 B11R1.74 C=C(C)c1cc(cc(n1)N)C 271570a_100000694244_100009819863 [0,0,0,0,0,1|3,0,0]=4 128 B11R1.74 C=C(C)c1cc(nc(c1)C)C 271570a_100000694244_100009816552 [0,0,0,0,0,1|2,0,0]=3 129 B11R1.74 C=C(C)c1cc(nc(c1)F)C 271570a_100000694244_100010006595 [0,0,0,0,0,1|3,0,0]=4 130 B11R1.74 C=C(C)c1cc(nc(c1)N)C 271570a_100000694244_100000076705 [0,0,0,0,0,1|3,0,0]=4 131 B11R1.74 C=C(C)c1cc(nc(n1)C)C 271570a_100000694244_100000736142 [0,0,0,0,0,1|2,0,0]=3 132 B11R1.74 C=C(C)c1cc(nc(n1)C)N 271570a_100000694244_100012178882 [0,0,0,0,0,1|3,0,0]=4 133 B11R1.74 C=C(C)c1cc(nc(n1)C)O 271570a_100000694244_106741647437 [0,0,0,0,0,1|3,0,0]=4 134 B11R1.74 C=C(C)c1cc(nc(n1)N)C 271570a_100000694244_100000183061 [0,0,0,0,0,1|3,0,0]=4 135 B11R1.74 C=C(C)c1nc(cc(n1)C)C 271570a_100000694244_100000736147 [0,0,0,0,0,1|3,0,0]=4 136 B11R1.74 C=C(C)c1nc(nc(n1)C)C 271570a_100000694244_100015468570 [0,0,0,0,0,1|3,0,0]=4 137 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [0,0,0,0,0,1|3,0,0]=4 138 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,0,0,0,0,1|2,0,0]=3 139 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,0,0,0,0,1|3,0,0]=4 140 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [0,0,0,0,0,1|3,0,0]=4 141 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [0,0,0,0,0,1|3,0,0]=4 142 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [0,0,0,0,0,1|3,0,0]=4 143 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,0,0,0,0,1|1,0,0]=2 144 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,0,0,0,0,1|2,0,0]=3 145 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,0,0,0,0,1|3,0,0]=4 146 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,0,0,0,0,1|3,0,0]=4 147 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,0,0,0,0,1|3,0,0]=4 148 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,0,0,0,0,1|2,0,0]=3 149 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [0,0,0,0,0,1|3,0,0]=4 150 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [0,0,0,0,0,1|3,0,0]=4 151 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [0,0,0,0,0,1|3,0,0]=4 152 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [0,0,0,0,0,1|3,0,0]=4 153 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,0,0,0,0,1|2,0,0]=3 154 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,0,0,0,0,1|3,0,0]=4 155 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [0,0,0,0,0,1|3,0,0]=4 156 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [0,0,0,0,0,1|3,0,0]=4 157 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,0,0,0,0,1|2,0,0]=3 158 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,0,0,0,0,1|2,0,0]=3 159 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [0,0,0,0,0,1|2,0,0]=3 160 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [0,0,0,0,0,1|3,0,0]=4 161 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,0,0,0,0,1|2,0,0]=3 162 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,0,0,0,0,1|1,0,0]=2 163 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,0,0,0,0,1|2,0,0]=3 164 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,0,0,0,0,1|2,0,0]=3 165 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,0,0,0,0,1|2,0,0]=3 166 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,0,0,0,0,1|2,0,0]=3 167 B11R1.74 Cc1cc(cc(n1)C)N(C)C 27a_100102631434_100000066820 [0,0,0,0,0,1|3,0,0]=4 168 B11R1.74 Cc1cc(nc(c1)N(C)C)C 27a_100102631434_100000069240 [0,0,0,0,0,1|3,0,0]=4 169 B11R1.74 Cc1cc(nc(n1)C)N(C)C 27a_100102631434_100000736142 [0,0,0,0,0,1|3,0,0]=4 170 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [0,0,0,0,0,1|3,0,0]=4 171 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,0,0,0,0,1|3,0,0]=4 172 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [0,0,0,0,0,1|3,0,0]=4 173 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [0,0,0,0,0,1|3,0,0]=4 174 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,0,0,0,0,1|3,0,0]=4 175 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,0,0,0,0,1|3,0,0]=4 176 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,0,0,0,0,1|3,0,0]=4 177 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [0,0,0,0,0,1|3,0,0]=4 178 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [0,0,0,0,0,1|3,0,0]=4 179 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [0,0,0,0,0,1|3,0,0]=4 180 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,0,0,0,0,1|3,0,0]=4 181 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [0,0,0,0,0,1|3,0,0]=4 182 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [0,0,0,0,0,1|3,0,0]=4 183 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [0,0,0,0,0,1|3,0,0]=4 184 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,0,0,0,0,1|3,0,0]=4 185 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,0,0,0,0,1|2,0,0]=3 186 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,0,0,0,0,1|3,0,0]=4 187 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,0,0,0,0,1|3,0,0]=4 188 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,0,0,0,0,1|3,0,0]=4 189 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,0,0,0,0,1|3,0,0]=4 190 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [0,0,0,0,0,1|3,0,0]=4 191 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [0,0,0,0,0,1|3,0,0]=4 192 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [0,0,0,0,0,1|3,0,0]=4 193 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,0,0,0,0,1|3,0,0]=4 194 B11R1.166 C=C(C)c1ccc(nc1C)C 271570a_100000694244_100009813853 [0,0,0,0,0,1|2,0,0]=3 195 B11R1.166 C=C(C)c1ccc(nc1C)Cl 271570a_100000694244_100000062408 [0,0,0,0,0,1|3,0,0]=4 196 B11R1.166 C=C(C)c1ccc(nc1C)F 271570a_100000694244_100000688911 [0,0,0,0,0,1|3,0,0]=4 197 B11R1.166 C=C(C)c1ccc(nc1C)N 271570a_100000694244_100000013003 [0,0,0,0,0,1|3,0,0]=4 198 B11R1.166 C=C(C)c1ccc(nc1C)O 271570a_100000694244_100000691680 [0,0,0,0,0,1|3,0,0]=4 199 B11R1.166 C=C(C)c1ccc(nc1F)C 271570a_100000694244_100010006597 [0,0,0,0,0,1|3,0,0]=4 200 B11R1.166 C=C(C)c1ccc(nc1N)C 271570a_100000694244_100009816662 [0,0,0,0,0,1|3,0,0]=4 201 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [0,0,0,0,0,1|3,0,0]=4 202 B11R1.166 C=C(C)c1cnc([nH]c1=O)C 271570a_100000694244_100011999157 [0,0,0,0,0,1|3,0,0]=4 203 B11R1.166 C=C(C)c1cnc(cc1C)Br 271570a_100000694244_100009816104 [0,0,0,0,0,1|3,0,0]=4 204 B11R1.166 C=C(C)c1cnc(cc1C)C 271570a_100000694244_100009819613 [0,0,0,0,0,1|2,0,0]=3 205 B11R1.166 C=C(C)c1cnc(cc1C)Cl 271570a_100000694244_100010172789 [0,0,0,0,0,1|3,0,0]=4 206 B11R1.166 C=C(C)c1cnc(cc1C)F 271570a_100000694244_100009820716 [0,0,0,0,0,1|3,0,0]=4 207 B11R1.166 C=C(C)c1cnc(cc1C)N 271570a_100000694244_100000050067 [0,0,0,0,0,1|3,0,0]=4 208 B11R1.166 C=C(C)c1cnc(cc1C)O 271570a_100000694244_100010114363 [0,0,0,0,0,1|3,0,0]=4 209 B11R1.166 C=C(C)c1cnc(cc1N)C 271570a_100000694244_100009817891 [0,0,0,0,0,1|3,0,0]=4 210 B11R1.166 C=C(C)c1cnc(cc1O)C 271570a_100000694244_100011016184 [0,0,0,0,0,1|3,0,0]=4 211 B11R1.166 C=C(C)c1cnc(nc1C)N 271570a_100000694244_100000725598 [0,0,0,0,0,1|3,0,0]=4 212 B11R1.166 C=C(C)c1cnc(nc1N)C 271570a_100000694244_100000684960 [0,0,0,0,0,1|3,0,0]=4 213 B11R1.166 C=C(C)c1ncc(cc1C)Br 271570a_100000694244_100012353652 [0,0,0,0,0,1|3,0,0]=4 214 B11R1.166 C=C(C)c1ncc(cc1C)C 271570a_100000694244_100009864548 [0,0,0,0,0,1|2,0,0]=3 215 B11R1.166 C=C(C)c1ncc(cc1C)F 271570a_100000694244_100009817009 [0,0,0,0,0,1|3,0,0]=4 216 B11R1.166 C=C(C)c1ncc(cc1C)N 271570a_100000694244_100000761747 [0,0,0,0,0,1|3,0,0]=4 217 B11R1.166 C=C(C)c1ncc(cc1C)O 271570a_100000694244_100012000486 [0,0,0,0,0,1|3,0,0]=4 218 B11R1.166 C=C(C)c1ncc(cc1F)C 271570a_100000694244_100009819633 [0,0,0,0,0,1|3,0,0]=4 219 B11R1.166 C=C(C)c1ncc(cc1N)C 271570a_100000694244_100000733613 [0,0,0,0,0,1|3,0,0]=4 220 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [0,0,0,0,0,1|3,0,0]=4 221 B11R1.166 C=C(C)c1ncc(nc1C)C 271570a_100000694244_100000065684 [0,0,0,0,0,1|2,0,0]=3 222 B11R1.166 C=C(C)c1ncc(nc1C)N 271570a_100000694244_100009818570 [0,0,0,0,0,1|3,0,0]=4 223 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,0,0,0,0,1|3,0,0]=4 224 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,0,0,0,0,1|2,0,0]=3 225 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,0,0,0,0,1|3,0,0]=4 226 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,0,0,0,0,1|3,0,0]=4 227 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,0,0,0,0,1|3,0,0]=4 228 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,0,0,0,0,1|3,0,0]=4 229 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,0,0,0,0,1|2,0,0]=3 230 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,0,0,0,0,1|1,0,0]=2 231 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,0,0,0,0,1|2,0,0]=3 232 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,0,0,0,0,1|2,0,0]=3 233 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,0,0,0,0,1|2,0,0]=3 234 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,0,0,0,0,1|2,0,0]=3 235 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,0,0,0,0,1|2,0,0]=3 236 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,0,0,0,0,1|3,0,0]=4 237 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,0,0,0,0,1|2,0,0]=3 238 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,0,0,0,0,1|3,0,0]=4 239 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,0,0,0,0,1|3,0,0]=4 240 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,0,0,0,0,1|3,0,0]=4 241 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,0,0,0,0,1|3,0,0]=4 242 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,0,0,0,0,1|3,0,0]=4 243 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,0,0,0,0,1|2,0,0]=3 244 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,0,0,0,0,1|3,0,0]=4 245 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,0,0,0,0,1|3,0,0]=4 246 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,0,0,0,0,1|3,0,0]=4 247 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,0,0,0,0,1|3,0,0]=4 248 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,0,0,0,0,1|3,0,0]=4 249 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,0,0,0,0,1|3,0,0]=4 250 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,0,0,0,0,1|2,0,0]=3 251 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,0,0,0,0,1|3,0,0]=4 252 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,0,0,0,0,1|3,0,0]=4 253 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,0,0,0,0,1|3,0,0]=4 254 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,0,0,0,0,1|3,0,0]=4 255 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,0,0,0,0,1|2,0,0]=3 256 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,0,0,0,0,1|2,0,0]=3 257 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,0,0,0,0,1|3,0,0]=4 258 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,0,0,0,0,1|3,0,0]=4 259 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,0,0,0,0,1|3,0,0]=4 260 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,0,0,0,0,1|3,0,0]=4 261 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,0,0,0,0,1|3,0,0]=4 262 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,0,0,0,0,1|3,0,0]=4 263 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,0,0,0,0,1|3,0,0]=4 264 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,0,0,0,0,1|3,0,0]=4 265 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,0,0,0,0,1|3,0,0]=4 266 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,0,0,0,0,1|2,0,0]=3 267 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,0,0,0,0,1|2,0,0]=3 268 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,0,0,0,0,1|2,0,0]=3 269 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,0,0,0,0,1|2,0,0]=3 270 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,0,0,0,0,1|2,0,0]=3 271 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,0,0,0,0,1|3,0,0]=4 272 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,0,0,0,0,1|2,0,0]=3 273 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,0,0,0,0,1|1,0,0]=2 274 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,0,0,0,0,1|2,0,0]=3 275 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,0,0,0,0,1|2,0,0]=3 276 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,0,0,0,0,1|2,0,0]=3 277 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,0,0,0,0,1|2,0,0]=3 278 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,0,0,0,0,1|3,0,0]=4 279 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,0,0,0,0,1|3,0,0]=4 280 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,0,0,0,0,1|3,0,0]=4 281 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,0,0,0,0,1|3,0,0]=4 282 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,0,0,0,0,1|3,0,0]=4 283 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,0,0,0,0,1|3,0,0]=4 284 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,0,0,0,0,1|3,0,0]=4 285 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,0,0,0,0,1|3,0,0]=4 286 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,0,0,0,0,1|3,0,0]=4 287 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,0,0,0,0,1|3,0,0]=4 288 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,0,0,0,0,1|3,0,0]=4 289 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,0,0,0,0,1|3,0,0]=4 290 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,0,0,0,0,1|3,0,0]=4 291 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,0,0,0,0,1|3,0,0]=4 292 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,0,0,0,0,1|3,0,0]=4 293 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,0,0,0,0,1|3,0,0]=4 294 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,0,0,0,0,1|3,0,0]=4 295 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,0,0,0,0,1|3,0,0]=4 296 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,0,0,0,0,1|3,0,0]=4 297 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,0,0,0,0,1|3,0,0]=4 298 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,0,0,0,0,1|3,0,0]=4 299 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,0,0,0,0,1|3,0,0]=4 300 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,0,0,0,0,1|3,0,0]=4 301 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,0,0,0,0,1|3,0,0]=4 302 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,0,0,0,0,1|3,0,0]=4 303 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,0,0,0,0,1|3,0,0]=4 304 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,0,0,0,0,1|2,0,0]=3 305 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,0,0,0,0,1|3,0,0]=4 306 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,0,0,0,0,1|3,0,0]=4 307 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,0,0,0,0,1|3,0,0]=4 308 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,0,0,0,0,1|3,0,0]=4 309 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,0,0,0,0,1|3,0,0]=4 310 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,0,0,0,0,1|3,0,0]=4 311 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,0,0,0,0,1|3,0,0]=4 312 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,0,0,0,0,1|3,0,0]=4 313 B11R1.167 C=C(C)c1cc(cnc1C)Br 271570a_100000694244_200010090566 [0,0,0,0,0,1|3,0,0]=4 314 B11R1.167 C=C(C)c1cc(cnc1C)C 271570a_100000694244_100009817436 [0,0,0,0,0,1|2,0,0]=3 315 B11R1.167 C=C(C)c1cc(cnc1C)F 271570a_100000694244_100009860710 [0,0,0,0,0,1|3,0,0]=4 316 B11R1.167 C=C(C)c1cc(cnc1C)N 271570a_100000694244_100011998591 [0,0,0,0,0,1|3,0,0]=4 317 B11R1.167 C=C(C)c1cc(cnc1C)O 271570a_100000694244_100009819603 [0,0,0,0,0,1|3,0,0]=4 318 B11R1.167 C=C(C)c1cc(cnc1Cl)C 271570a_100000694244_100010210167 [0,0,0,0,0,1|3,0,0]=4 319 B11R1.167 C=C(C)c1cc(cnc1F)C 271570a_100000694244_100000049784 [0,0,0,0,0,1|3,0,0]=4 320 B11R1.167 C=C(C)c1cc(cnc1N)C 271570a_100000694244_100000049664 [0,0,0,0,0,1|3,0,0]=4 321 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [0,0,0,0,0,1|3,0,0]=4 322 B11R1.167 C=C(C)c1cc(n[nH]c1=O)C 271570a_100000694244_100009819039 [0,0,0,0,0,1|3,0,0]=4 323 B11R1.167 C=C(C)c1cc(ncc1C)Br 271570a_100000694244_100010067628 [0,0,0,0,0,1|3,0,0]=4 324 B11R1.167 C=C(C)c1cc(ncc1C)C 271570a_100000694244_100009862788 [0,0,0,0,0,1|2,0,0]=3 325 B11R1.167 C=C(C)c1cc(ncc1C)Cl 271570a_100000694244_100010068021 [0,0,0,0,0,1|3,0,0]=4 326 B11R1.167 C=C(C)c1cc(ncc1C)F 271570a_100000694244_100000049870 [0,0,0,0,0,1|3,0,0]=4 327 B11R1.167 C=C(C)c1cc(ncc1C)N 271570a_100000694244_100009819938 [0,0,0,0,0,1|3,0,0]=4 328 B11R1.167 C=C(C)c1cc(ncc1C)O 271570a_100000694244_100009831917 [0,0,0,0,0,1|3,0,0]=4 329 B11R1.167 C=C(C)c1cc(ncc1F)C 271570a_100000694244_100009867690 [0,0,0,0,0,1|3,0,0]=4 330 B11R1.167 C=C(C)c1cc(ncc1O)C 271570a_100000694244_100009843476 [0,0,0,0,0,1|3,0,0]=4 331 B11R1.167 C=C(C)c1nc(ccc1C)C 271570a_100000694244_100009854376 [0,0,0,0,0,1|3,0,0]=4 332 B11R1.167 C=C(C)c1nc(cnc1C)C 271570a_100000694244_100000211308 [0,0,0,0,0,1|3,0,0]=4 333 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,0,0,0,0,1|3,0,0]=4 334 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,0,0,0,0,1|2,0,0]=3 335 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,0,0,0,0,1|3,0,0]=4 336 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,0,0,0,0,1|3,0,0]=4 337 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,0,0,0,0,1|3,0,0]=4 338 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,0,0,0,0,1|3,0,0]=4 339 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,0,0,0,0,1|2,0,0]=3 340 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,0,0,0,0,1|1,0,0]=2 341 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,0,0,0,0,1|2,0,0]=3 342 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,0,0,0,0,1|2,0,0]=3 343 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,0,0,0,0,1|2,0,0]=3 344 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,0,0,0,0,1|2,0,0]=3 345 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,0,0,0,0,1|2,0,0]=3 346 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,0,0,0,0,1|3,0,0]=4 347 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,0,0,0,0,1|2,0,0]=3 348 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,0,0,0,0,1|3,0,0]=4 349 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,0,0,0,0,1|3,0,0]=4 350 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,0,0,0,0,1|3,0,0]=4 351 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,0,0,0,0,1|3,0,0]=4 352 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,0,0,0,0,1|3,0,0]=4 353 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,0,0,0,0,1|3,0,0]=4 354 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,0,0,0,0,1|2,0,0]=3 355 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,0,0,0,0,1|3,0,0]=4 356 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,0,0,0,0,1|3,0,0]=4 357 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,0,0,0,0,1|3,0,0]=4 358 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,0,0,0,0,1|3,0,0]=4 359 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,0,0,0,0,1|3,0,0]=4 360 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,0,0,0,0,1|3,0,0]=4 361 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,0,0,0,0,1|2,0,0]=3 362 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,0,0,0,0,1|3,0,0]=4 363 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,0,0,0,0,1|3,0,0]=4 364 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,0,0,0,0,1|3,0,0]=4 365 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,0,0,0,0,1|3,0,0]=4 366 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,0,0,0,0,1|3,0,0]=4 367 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,0,0,0,0,1|3,0,0]=4 368 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,0,0,0,0,1|3,0,0]=4 369 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,0,0,0,0,1|2,0,0]=3 370 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,0,0,0,0,1|2,0,0]=3 371 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,0,0,0,0,1|3,0,0]=4 372 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,0,0,0,0,1|3,0,0]=4 373 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,0,0,0,0,1|3,0,0]=4 374 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,0,0,0,0,1|3,0,0]=4 375 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,0,0,0,0,1|3,0,0]=4 376 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,0,0,0,0,1|3,0,0]=4 377 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,0,0,0,0,1|3,0,0]=4 378 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,0,0,0,0,1|2,0,0]=3 379 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,0,0,0,0,1|3,0,0]=4 380 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,0,0,0,0,1|3,0,0]=4 381 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,0,0,0,0,1|3,0,0]=4 382 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,0,0,0,0,1|3,0,0]=4 383 B11R1.167 CC(=O)c1nc(ncc1C)O 271570a_203496583355_100010687370 [0,0,0,0,0,1|3,0,0]=4 384 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,0,0,0,0,1|3,0,0]=4 385 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,0,0,0,0,1|2,0,0]=3 386 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,0,0,0,0,1|1,0,0]=2 387 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,0,0,0,0,1|2,0,0]=3 388 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,0,0,0,0,1|2,0,0]=3 389 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,0,0,0,0,1|2,0,0]=3 390 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,0,0,0,0,1|2,0,0]=3 391 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,0,0,0,0,1|3,0,0]=4 392 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,0,0,0,0,1|2,0,0]=3 393 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,0,0,0,0,1|2,0,0]=3 394 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,0,0,0,0,1|2,0,0]=3 395 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,0,0,0,0,1|2,0,0]=3 396 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,0,0,0,0,1|2,0,0]=3 397 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,0,0,0,0,1|3,0,0]=4 398 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,0,0,0,0,1|3,0,0]=4 399 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,0,0,0,0,1|3,0,0]=4 400 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,0,0,0,0,1|3,0,0]=4 401 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,0,0,0,0,1|3,0,0]=4 402 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,0,0,0,0,1|3,0,0]=4 403 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,0,0,0,0,1|3,0,0]=4 404 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,0,0,0,0,1|3,0,0]=4 405 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,0,0,0,0,1|3,0,0]=4 406 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,0,0,0,0,1|3,0,0]=4 407 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,0,0,0,0,1|3,0,0]=4 408 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,0,0,0,0,1|3,0,0]=4 409 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,0,0,0,0,1|3,0,0]=4 410 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,0,0,0,0,1|3,0,0]=4 411 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,0,0,0,0,1|3,0,0]=4 412 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,0,0,0,0,1|3,0,0]=4 413 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,0,0,0,0,1|3,0,0]=4 414 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,0,0,0,0,1|3,0,0]=4 415 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,0,0,0,0,1|3,0,0]=4 416 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,0,0,0,0,1|3,0,0]=4 417 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,0,0,0,0,1|3,0,0]=4 418 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,0,0,0,0,1|3,0,0]=4 419 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,0,0,0,0,1|3,0,0]=4 420 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,0,0,0,0,1|3,0,0]=4 421 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,0,0,0,0,1|3,0,0]=4 422 B11R1.645 CC(=Cc1cc(nn1C)C)C 271570a_100102525489_100009818511 [0,0,0,0,0,1|3,0,0]=4 423 B11R1.645 CC(=Cc1cc(sc1C)C)C 271570a_100102525489_100000688054 [0,0,0,0,0,1|1,1,0]=3 424 B11R1.645 CC(=Cc1cn(nc1C)C)C 271570a_100102525489_100011996311 [0,0,0,0,0,1|3,0,0]=4 425 B11R1.645 CC(=Cc1nc(sc1C)C)C 271570a_100102525489_100010270876 [0,0,0,0,0,1|2,1,0]=4 426 B11R1.645 CC(=Cc1sc(cc1C)C)C 271570a_100102525489_100000689295 [0,0,0,0,0,1|3,0,0]=4 427 B11R1.645 CC(=Cc1sc(nc1C)C)C 271570a_100102525489_100009814099 [0,0,0,0,0,1|3,0,0]=4 428 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100000070787_100025716357 [0,0,0,0,0,1|2,0,0]=3 429 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100132302298_200000210301 [0,0,0,0,0,1|2,0,0]=3 430 B11R1.645 CC(=O)Cc1cc(sc1Br)Br 1458a_200103147941_200000210301 [0,0,0,0,0,1|2,1,0]=4 431 B11R1.645 CC(=O)Cc1cn(nc1C)C 1458a_100000070787_100015186178 [0,0,0,0,0,1|2,0,0]=3 432 B11R1.645 CC(=O)Cc1nc(sc1C)C 1458a_100000040699_200000210301 [0,0,0,0,0,1|1,1,0]=3 433 B11R1.645 CC(=O)Cc1oc(=O)oc1C 1458a_100000070787_100000068490 [0,0,0,0,0,1|2,0,0]=3 434 B11R1.645 CC(=O)Cc1sc(nc1Br)C 1458a_100000070787_100015664652 [0,0,0,0,0,1|3,0,0]=4 435 B11R1.645 CC(=O)Cc1sc(nc1C)C 1458a_100000070787_100000760948 [0,0,0,0,0,1|2,0,0]=3 436 B11R1.645 CC(=O)Cc1sc(nc1C)C 1458a_100025788167_200000210301 [0,0,0,0,0,1|2,0,0]=3 437 B11R1.645 CC(=O)Cn1nc(cc1C)C 1458a_100000230924_200000210301 [0,0,0,0,0,1|3,0,0]=4 438 B11R1.645 CC(=O)Cn1nc(nc1C)C 1458a_100016993699_200000210301 [0,0,0,0,0,1|3,0,0]=4 439 B11R1.645 Cc1cc(c(s1)C)CN(C)C 270004a_100102631434_100000745318 [0,0,0,0,0,1|2,1,0]=4 440 B11R1.645 Cc1cc(c(s1)C)SC(C)C 62a_100000210206_100000688054 [0,0,0,0,0,1|1,1,1]=4 441 B11R1.645 Cc1cc(c(s1)C)SC(C)C 62a_100000688054_100000210206 [0,0,0,0,0,1|1,1,1]=4 442 B11R1.645 Cc1cc(n(n1)C)CC(=O)[13CH3] 1458a_100132302298_200025704644 [0,0,0,0,0,1|2,0,0]=3 443 B11R1.645 Cc1cc(n(n1)CC(=O)[13CH3])C 1458a_100000230924_200025704644 [0,0,0,0,0,1|3,0,0]=4 444 B11R1.645 Cc1nc(c(s1)C)CC(=O)[13CH3] 1458a_100000040699_200025704644 [0,0,0,0,0,1|1,1,0]=3 445 B11R1.645 Cc1nc(c(s1)CC(=O)[13CH3])C 1458a_100025788167_200025704644 [0,0,0,0,0,1|2,0,0]=3 446 B11R1.645 Cc1nc(n(n1)CC(=O)[13CH3])C 1458a_100016993699_200025704644 [0,0,0,0,0,1|3,0,0]=4 447 B11R1.645 [13CH3]C(=O)Cc1cc(sc1Br)Br 1458a_200103147941_200025704644 [0,0,0,0,0,1|2,1,0]=4 448 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [1,0,1,0,0,0|2,0,0]=4 449 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [1,0,1,0,0,0|1,0,1]=4 450 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,0,1,0,0,0|1,0,1]=4 451 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,0,1,0,0,0|1,0,1]=4 452 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [1,0,1,0,0,0|0,0,0]=2 453 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [1,0,1,0,0,0|0,0,0]=2 454 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [1,0,1,0,0,0|2,0,0]=4 455 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [1,0,1,0,0,0|2,0,0]=4 456 B8R1.1 C=Cc1csc(c1)C 271570a_100011290941_100000759034 [2,0,0,0,0,0|0,1,1]=4 457 B8R1.1 CSc1cc(on1)C 62a_100000716708_200000210301 [2,0,0,0,0,0|2,0,0]=4 458 B8R1.1 CSc1cc(on1)C 62a_200000210301_100000716708 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [2,0,0,0,0,0|1,1,0]=4 460 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [2,0,0,0,0,0|1,1,0]=4 461 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [2,0,0,0,0,0|1,1,0]=4 462 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [2,0,0,0,0,0|1,1,0]=4 463 B8R1.1 Cc1cc(no1)S[13CH3] 62a_100000716708_200025704644 [2,0,0,0,0,0|2,0,0]=4 464 B8R1.1 Cc1cc(no1)S[13CH3] 62a_200025704644_100000716708 [2,0,0,0,0,0|2,0,0]=4 465 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [2,0,0,0,0,0|2,0,0]=4 466 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [2,0,0,0,0,0|1,1,0]=4 467 B8R1.11 C=Cc1ccsc1C 271570a_100011290941_100000684487 [2,0,0,0,0,0|0,1,1]=4 468 B8R1.11 C=Cc1cnoc1C 271570a_100011290941_100009872056 [2,0,0,0,0,0|1,0,1]=4 469 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [2,0,0,0,0,0|1,1,0]=4 470 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [2,0,0,0,0,0|1,1,0]=4 471 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [2,0,0,0,0,0|2,0,0]=4 472 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [2,0,0,0,0,0|2,0,0]=4 473 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [2,0,0,0,0,0|2,0,0]=4 474 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [2,0,0,0,0,0|2,0,0]=4 475 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [2,0,0,0,0,0|1,1,0]=4 476 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [2,0,0,0,0,0|1,1,0]=4 477 B8R1.11 O=Cc1ccsc1O 271570a_203496583355_100009816921 [2,0,0,0,0,0|1,1,0]=4 478 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [2,0,0,0,0,0|0,1,1]=4 479 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [2,0,0,0,0,0|1,1,0]=4 480 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [2,0,0,0,0,0|1,1,0]=4 481 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [2,0,0,0,0,0|1,0,0]=3 482 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [2,0,0,0,0,0|1,1,0]=4 483 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [2,0,0,0,0,0|0,0,2]=4 485 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [2,0,0,0,0,0|0,0,2]=4 486 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [2,0,0,0,0,0|0,0,2]=4 487 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [2,0,0,0,0,0|0,0,2]=4 488 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,1,1,0,0,0|1,0,1]=4 489 B10R0.108 CCOC(=O)C=CC(=O)CF 1458a_100000210415_100015361967 [0,1,1,0,0,0|1,0,1]=4 490 B10R0.108 CCOC(=O)C=CC(=O)NC 1626a_100102657272_100000210415 [0,1,1,0,0,0|1,0,1]=4 491 B10R0.108 CCOC(=O)C=CC(=O)NC 240690a_100102657272_100000210415 [0,1,1,0,0,0|1,0,1]=4 492 B10R1.32 CSc1cc(sc1C=O)C 62a_100011361552_200000210301 [1,1,0,0,0,0|2,0,0]=4 493 B10R1.32 CSc1cc(sc1C=O)C 62a_200000210301_100011361552 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.32 Cc1cc(c(s1)C=O)S[13CH3] 62a_100011361552_200025704644 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.32 Cc1cc(c(s1)C=O)S[13CH3] 62a_200025704644_100011361552 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.35 C=Cc1cc(sc1C)CO 271570a_100011290941_100013897464 [1,1,0,0,0,0|0,1,1]=4 497 B10R1.35 C=Cc1nc(c(o1)C)C=O 271570a_100011290941_200010262729 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.35 CNc1nc(c(s1)C=O)C 27a_100102657272_100010339034 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.35 CSc1cc(c(s1)C=O)C 62a_100010221198_200000210301 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.35 CSc1cc(c(s1)C=O)C 62a_200000210301_100010221198 [1,1,0,0,0,0|2,0,0]=4 501 B10R1.35 CSc1cc(sc1C)CO 62a_100013897464_200000210301 [1,1,0,0,0,0|1,1,0]=4 502 B10R1.35 CSc1cc(sc1C)CO 62a_200000210301_100013897464 [1,1,0,0,0,0|1,1,0]=4 503 B10R1.35 CSc1nc(c(o1)C)C=O 62a_200000210301_200010262729 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.35 CSc1nc(c(o1)C)C=O 62a_200010262729_200000210301 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.35 CSc1nc(c(s1)C=O)C 62a_100010339034_200000210301 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.35 CSc1nc(c(s1)C=O)C 62a_200000210301_100010339034 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_100010221198_200025704644 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_200025704644_100010221198 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.35 Cc1nc(sc1C=O)S[13CH3] 62a_100010339034_200025704644 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.35 Cc1nc(sc1C=O)S[13CH3] 62a_200025704644_100010339034 [1,1,0,0,0,0|2,0,0]=4 511 B10R1.35 Cc1oc(nc1C=O)S[13CH3] 62a_200010262729_200025704644 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.35 Cc1oc(nc1C=O)S[13CH3] 62a_200025704644_200010262729 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.35 Cc1sc(cc1S[13CH3])CO 62a_100013897464_200025704644 [1,1,0,0,0,0|1,1,0]=4 514 B10R1.35 Cc1sc(cc1S[13CH3])CO 62a_200025704644_100013897464 [1,1,0,0,0,0|1,1,0]=4 515 B10R1.130 C=C=Cc1cc(sc1C)C 271570a_100015277604_100000688054 [1,1,0,0,0,0|0,1,1]=4 516 B10R1.130 CC=Cc1cc(nn1C)C 271570a_100016259895_100009818511 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.130 CC=Cc1cc(sc1C)C 271570a_100016259895_100000688054 [1,1,0,0,0,0|0,1,0]=3 518 B10R1.130 CC=Cc1cn(nc1C)C 271570a_100016259895_100011996311 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.130 CC=Cc1nc(sc1C)C 271570a_100016259895_100010270876 [1,1,0,0,0,0|1,1,0]=4 520 B10R1.130 CC=Cc1sc(cc1C)C 271570a_100016259895_100000689295 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.130 CC=Cc1sc(nc1C)C 271570a_100016259895_100009814099 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.130 CCSc1cc(sc1C)C 62a_100000210202_100000688054 [1,1,0,0,0,0|0,1,1]=4 523 B10R1.130 CCSc1cc(sc1C)C 62a_100000688054_100000210202 [1,1,0,0,0,0|0,1,1]=4 524 B10R1.130 CNCc1cc(sc1C)C 207a_100102657272_100000745318 [1,1,0,0,0,0|0,1,1]=4 525 B10R1.130 CNCc1cc(sc1C)C 270004a_106832991635_100000745318 [1,1,0,0,0,0|0,1,1]=4 526 B10R1.130 COCc1cc(oc1C)C 34a_100000688432_200000210301 [1,1,0,0,0,0|0,0,1]=3 527 B10R1.130 COCc1cc(oc1C)C 7a_100000688432_200000210301 [1,1,0,0,0,0|0,0,1]=3 528 B10R1.130 COCc1nc(oc1C)C 34a_100000068805_200000210301 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.130 COCc1nc(oc1C)C 7a_100000068805_200000210301 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 34a_100000688432_200025704644 [1,1,0,0,0,0|0,0,1]=3 531 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 7a_100000688432_200025704644 [1,1,0,0,0,0|0,0,1]=3 532 B10R1.130 Cc1cc(c(s1)C)SCF 62a_100000688054_100015361967 [1,1,0,0,0,0|1,1,0]=4 533 B10R1.130 Cc1cc(c(s1)C)SCF 62a_100015361967_100000688054 [1,1,0,0,0,0|1,1,0]=4 534 B10R1.130 Cc1nc(c(o1)C)CO[13CH3] 34a_100000068805_200025704644 [1,1,0,0,0,0|1,0,1]=4 535 B10R1.130 Cc1nc(c(o1)C)CO[13CH3] 7a_100000068805_200025704644 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [1,1,0,0,0,0|1,1,0]=4 539 B10R1.31 C=C(C)c1coc(c1)C=O 271570a_100000694244_100000747035 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.31 C=C(C)c1csc(c1)CC 271570a_100000694244_100009846239 [1,1,0,0,0,0|1,1,0]=4 541 B10R1.31 C=C(C)c1csc(c1)CO 271570a_100000694244_100000238369 [1,1,0,0,0,0|1,1,0]=4 542 B10R1.31 C=C(C)c1csc(c1)SC 271570a_100000694244_200010256830 [1,1,0,0,0,0|1,1,0]=4 543 B10R1.31 C=Cc1cc(cs1)C(=O)C 271570a_100011290941_200012344231 [1,1,0,0,0,0|0,1,1]=4 544 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_100000718618_200025704644 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.31 CC(=O)c1cc(cs1)S[13CH3] 62a_200025704644_100000718618 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [1,1,0,0,0,0|2,0,0]=4 549 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200010173910_200025704644 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_200010173910 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [1,1,0,0,0,0|0,1,0]=3 553 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [1,1,0,0,0,0|0,1,0]=3 554 B10R1.31 CNc1nc(co1)C(=O)N 27a_100102657272_100009981048 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.31 CNc1ncc(s1)C(=O)C 27a_100102657272_200010173910 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [1,1,0,0,0,0|0,1,0]=3 557 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [1,1,0,0,0,0|0,1,0]=3 558 B10R1.31 CSc1cc(cs1)C(=O)N 62a_100000747962_200000210301 [1,1,0,0,0,0|1,1,0]=4 559 B10R1.31 CSc1cc(cs1)C(=O)N 62a_200000210301_100000747962 [1,1,0,0,0,0|1,1,0]=4 560 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.31 CSc1csc(c1)C(=O)C 62a_100000718618_200000210301 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.31 CSc1csc(c1)C(=O)C 62a_200000210301_100000718618 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.31 CSc1nc(co1)C(=O)N 62a_100009981048_200000210301 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.31 CSc1nc(co1)C(=O)N 62a_200000210301_100009981048 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200000210301_200010173910 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200010173910_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_100000747962_200025704644 [1,1,0,0,0,0|1,1,0]=4 571 B10R1.31 [13CH3]Sc1cc(cs1)C(=O)N 62a_200025704644_100000747962 [1,1,0,0,0,0|1,1,0]=4 572 B10R1.31 [13CH3]Sc1nc(co1)C(=O)N 62a_100009981048_200025704644 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.31 [13CH3]Sc1nc(co1)C(=O)N 62a_200025704644_100009981048 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.194 C=C(C)c1csc(c1C)C 271570a_100000694244_100009820295 [1,1,0,0,0,0|1,1,0]=4 576 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.39 C=C(C)c1ccoc1C=O 271570a_100000694244_100000756499 [1,1,0,0,0,0|1,0,1]=4 578 B10R1.39 C=C(C)c1ccsc1CO 271570a_100000694244_100000702026 [1,1,0,0,0,0|1,1,0]=4 579 B10R1.39 C=C(C)c1ccsc1SC 271570a_100000694244_200010341309 [1,1,0,0,0,0|1,1,0]=4 580 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200010339033_200025704644 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200025704644_200010339033 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.39 CSc1ncsc1C(=O)C 62a_200000210301_200010339033 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.39 CSc1ncsc1C(=O)C 62a_200010339033_200000210301 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.149 COC(=O)c1ccoc1O 271570a_203496583355_100011935261 [1,1,0,0,0,0|1,0,0]=3 587 B10R1.149 COC(=O)c1ccsc1O 271570a_203496583355_100009822520 [1,1,0,0,0,0|1,1,0]=4 588 B10R1.192 C=C(C)c1c(noc1C)C 271570a_100000694244_100000694658 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.192 C=C(C)c1c(noc1C)N 271570a_100000694244_100011216220 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.192 C=C(C)c1c(noc1C)O 271570a_100000694244_100010730664 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.192 CC(=O)c1c(cnn1C)O 271570a_203496583355_100012349272 [1,1,0,0,0,0|2,0,0]=4 592 B12R1.11 C=C(C)c1cc(cc(c1)CO)C 271570a_100000694244_100000720511 [0,1,0,0,0,1|2,0,0]=4 593 B12R1.11 C=C(C)c1cc(cc(c1)OC)C 271570a_100000694244_100010187550 [0,1,0,0,0,1|2,0,0]=4 594 B12R1.11 C=C(C)c1cc(cc(c1)SC)C 271570a_100000694244_200010709730 [0,1,0,0,0,1|2,0,0]=4 595 B12R1.11 C=C(C)c1cc(cc(n1)C)OC 271570a_100000694244_200009849800 [0,1,0,0,0,1|2,0,0]=4 596 B12R1.11 C=C(C)c1cc(cc(n1)CO)C 271570a_100000694244_100000725198 [0,1,0,0,0,1|2,0,0]=4 597 B12R1.11 C=C(C)c1cc(cc(n1)OC)C 271570a_100000694244_100009856763 [0,1,0,0,0,1|2,0,0]=4 598 B12R1.11 C=C(C)c1cc(nc(c1)CN)C 271570a_100000694244_100010178683 [0,1,0,0,0,1|2,0,0]=4 599 B12R1.11 C=C(C)c1cc(nc(c1)CO)C 271570a_100000694244_100010178681 [0,1,0,0,0,1|2,0,0]=4 600 B12R1.11 C=C(C)c1cc(nc(c1)OC)C 271570a_100000694244_100010067692 [0,1,0,0,0,1|2,0,0]=4 601 B12R1.11 C=C(C)c1cc(nc(n1)C)CC 271570a_100000694244_100000761995 [0,1,0,0,0,1|2,0,0]=4 602 B12R1.11 C=C(C)c1cc(nc(n1)C)NC 271570a_100000694244_100000758931 [0,1,0,0,0,1|2,0,0]=4 603 B12R1.11 C=C(C)c1cc(nc(n1)C)OC 271570a_100000694244_100011686313 [0,1,0,0,0,1|2,0,0]=4 604 B12R1.11 C=C(C)c1cc(nc(n1)C)SC 271570a_100000694244_100011686690 [0,1,0,0,0,1|2,0,0]=4 605 B12R1.11 C=C(C)c1cc(nc(n1)CC)C 271570a_100000694244_100000687827 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.11 C=C(C)c1cc(nc(n1)NC)C 271570a_100000694244_100011202761 [0,1,0,0,0,1|2,0,0]=4 607 B12R1.11 C=C(C)c1cc(nc(n1)SC)C 271570a_100000694244_100000073727 [0,1,0,0,0,1|2,0,0]=4 608 B12R1.11 C=Cc1cc(cc(c1)C(=O)C)C 271570a_100011290941_100000694479 [0,1,0,0,0,1|1,0,1]=4 609 B12R1.11 C=Cc1cc(cc(n1)C)C(=O)C 271570a_100011290941_100009884196 [0,1,0,0,0,1|1,0,1]=4 610 B12R1.11 CC(=O)c1cc(cc(c1)C#N)C 1458a_100012001805_200000210301 [0,1,0,0,0,1|1,0,1]=4 611 B12R1.11 CC(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200000210301 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.11 CC(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200000210301 [0,1,0,0,0,1|2,0,0]=4 613 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 34a_100009855872_200025704644 [0,1,0,0,0,1|1,0,0]=3 614 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 7a_100009855872_200025704644 [0,1,0,0,0,1|1,0,0]=3 615 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_100010005435_200025704644 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010005435 [0,1,0,0,0,1|2,0,0]=4 617 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_100000694479_200025704644 [0,1,0,0,0,1|1,0,0]=3 618 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100000694479 [0,1,0,0,0,1|1,0,0]=3 619 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_100012361402_200025704644 [0,1,0,0,0,1|2,0,0]=4 620 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_100012361402 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.11 CC(=O)c1cc(nc(c1)S[13CH3])C 62a_100009884196_200025704644 [0,1,0,0,0,1|1,0,0]=3 622 B12R1.11 CC(=O)c1cc(nc(c1)S[13CH3])C 62a_200025704644_100009884196 [0,1,0,0,0,1|1,0,0]=3 623 B12R1.11 COc1cc(cc(c1)C(=O)C)Br 1458a_100011934030_200000210301 [0,1,0,0,0,1|2,0,0]=4 624 B12R1.11 COc1cc(cc(c1)C(=O)C)C 1458a_100000117910_200000210301 [0,1,0,0,0,1|1,0,0]=3 625 B12R1.11 COc1cc(cc(c1)C(=O)C)C 34a_100009855872_200000210301 [0,1,0,0,0,1|1,0,0]=3 626 B12R1.11 COc1cc(cc(c1)C(=O)C)C 7a_100009855872_200000210301 [0,1,0,0,0,1|1,0,0]=3 627 B12R1.11 COc1cc(cc(c1)C(=O)C)Cl 1458a_100000066651_200000210301 [0,1,0,0,0,1|2,0,0]=4 628 B12R1.11 COc1cc(cc(c1)C(=O)C)F 1458a_100011934639_200000210301 [0,1,0,0,0,1|2,0,0]=4 629 B12R1.11 COc1cc(cc(c1)C(=O)C)I 1458a_200010292657_200000210301 [0,1,0,0,0,1|2,0,0]=4 630 B12R1.11 COc1cc(cc(c1)C(=O)C)O 1458a_100000083963_200000210301 [0,1,0,0,0,1|2,0,0]=4 631 B12R1.11 COc1cc(cc(c1)C(=O)C)O 271570a_203496583355_100010713257 [0,1,0,0,0,1|2,0,0]=4 632 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100011934030_200025704644 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000117910_200025704644 [0,1,0,0,0,1|1,0,0]=3 634 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000066651_200025704644 [0,1,0,0,0,1|2,0,0]=4 635 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])F 1458a_100011934639_200025704644 [0,1,0,0,0,1|2,0,0]=4 636 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])I 1458a_200010292657_200025704644 [0,1,0,0,0,1|2,0,0]=4 637 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000083963_200025704644 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_100010005435_200000210301 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_200000210301_100010005435 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_100000694479_200000210301 [0,1,0,0,0,1|1,0,0]=3 641 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_200000210301_100000694479 [0,1,0,0,0,1|1,0,0]=3 642 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_100012361402_200000210301 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_200000210301_100012361402 [0,1,0,0,0,1|2,0,0]=4 644 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200000210301_200012348365 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200012348365_200000210301 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.11 CSc1cc(cc(n1)C)C(=O)C 62a_100009884196_200000210301 [0,1,0,0,0,1|1,0,0]=3 647 B12R1.11 CSc1cc(cc(n1)C)C(=O)C 62a_200000210301_100009884196 [0,1,0,0,0,1|1,0,0]=3 648 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200012348365_200025704644 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200025704644_200012348365 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.11 Cc1cc(cc(c1)C(=O)[13CH3])C#N 1458a_100012001805_200025704644 [0,1,0,0,0,1|1,0,1]=4 651 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200025704644 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200025704644 [0,1,0,0,0,1|2,0,0]=4 653 B12R1.358 CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210202 [0,1,0,0,0,1|2,0,0]=4 654 B12R1.358 CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210202 [0,1,0,0,0,1|1,0,0]=3 655 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210202 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.358 CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210202 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.358 CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210202 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.358 CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210202 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 11a_106832991635_100000760426 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 1626a_100102657272_100000760426 [0,1,0,0,0,1|2,0,0]=4 661 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 240690a_100102657272_100000760426 [0,1,0,0,0,1|2,0,0]=4 662 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 527a_100102657272_100000760426 [0,1,0,0,0,1|2,0,0]=4 663 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 11a_106832991635_100000210874 [0,1,0,0,0,1|1,0,0]=3 664 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 1626a_100102657272_100000210874 [0,1,0,0,0,1|1,0,0]=3 665 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 240690a_100102657272_100000210874 [0,1,0,0,0,1|1,0,0]=3 666 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 527a_100102657272_100000210874 [0,1,0,0,0,1|1,0,0]=3 667 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 11a_106832991635_100000684526 [0,1,0,0,0,1|2,0,0]=4 668 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 1626a_100102657272_100000684526 [0,1,0,0,0,1|2,0,0]=4 669 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 240690a_100102657272_100000684526 [0,1,0,0,0,1|2,0,0]=4 670 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 527a_100102657272_100000684526 [0,1,0,0,0,1|2,0,0]=4 671 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 11a_106832991635_100000763163 [0,1,0,0,0,1|2,0,0]=4 672 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 1626a_100102657272_100000763163 [0,1,0,0,0,1|2,0,0]=4 673 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 240690a_100102657272_100000763163 [0,1,0,0,0,1|2,0,0]=4 674 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 527a_100102657272_100000763163 [0,1,0,0,0,1|2,0,0]=4 675 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 11a_106832991635_100000729426 [0,1,0,0,0,1|2,0,0]=4 676 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 1626a_100102657272_100000729426 [0,1,0,0,0,1|2,0,0]=4 677 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 240690a_100102657272_100000729426 [0,1,0,0,0,1|2,0,0]=4 678 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 527a_100102657272_100000729426 [0,1,0,0,0,1|2,0,0]=4 679 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 240690a_100102657272_100000094094 [0,1,0,0,0,1|2,0,0]=4 680 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 527a_100102657272_100000094094 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.358 COC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100012359405 [0,1,0,0,0,1|2,0,0]=4 682 B12R1.358 COC(=O)c1cc(cc(n1)O)C 271570a_203496583355_100009865194 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.358 COC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100000695393 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.358 COC(=O)c1cc(nc(n1)O)C 271570a_203496583355_100000724386 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Br 1458a_100000760426_100015361967 [0,1,0,0,0,1|2,0,0]=4 686 B12R1.358 Cc1cc(cc(c1)C(=O)CF)C 1458a_100000210874_100015361967 [0,1,0,0,0,1|1,0,0]=3 687 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Cl 1458a_100000684526_100015361967 [0,1,0,0,0,1|2,0,0]=4 688 B12R1.358 Cc1cc(cc(c1)C(=O)CF)F 1458a_100000763163_100015361967 [0,1,0,0,0,1|2,0,0]=4 689 B12R1.358 Cc1cc(cc(c1)C(=O)CF)I 1458a_100000729426_100015361967 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.358 Cc1cc(cc(c1)C(=O)CF)O 1458a_100000094094_100015361967 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.511 C=C(C)c1cc(cc(c1F)C)C 271570a_100000694244_200010204574 [0,1,0,0,0,1|2,0,0]=4 692 B12R1.511 C=C(C)c1cc(cc(c1N)C)C 271570a_100000694244_100000688863 [0,1,0,0,0,1|2,0,0]=4 693 B12R1.511 C=C(C)c1cc(cc(c1O)C)C 271570a_100000694244_100011934984 [0,1,0,0,0,1|2,0,0]=4 694 B12R1.511 C=C(C)c1nc(cc(c1N)C)C 271570a_100000694244_100009816701 [0,1,0,0,0,1|2,0,0]=4 695 B12R1.511 CC(=O)c1cc(cc(c1Br)Br)C 1458a_200012920551_200000210301 [0,1,0,0,0,1|2,0,0]=4 696 B12R1.511 CC(=O)c1cc(cc(c1Br)C)C 1458a_200000701928_200000210301 [0,1,0,0,0,1|1,0,0]=3 697 B12R1.511 CC(=O)c1cc(cc(c1C)C)Br 1458a_100012920495_200000210301 [0,1,0,0,0,1|2,0,0]=4 698 B12R1.511 CC(=O)c1cc(cc(c1Cl)C)F 1458a_200010768536_200000210301 [0,1,0,0,0,1|2,0,0]=4 699 B12R1.511 CC(=O)c1cc(cc(c1F)Br)C 1458a_100009996753_200000210301 [0,1,0,0,0,1|2,0,0]=4 700 B12R1.511 CC(=O)c1cc(cc(c1F)C)Br 1458a_100012928937_200000210301 [0,1,0,0,0,1|2,0,0]=4 701 B12R1.511 CC(=O)c1cc(cc(c1F)F)C 1458a_100000094381_200000210301 [0,1,0,0,0,1|2,0,0]=4 702 B12R1.511 CC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_200000210301 [0,1,0,0,0,1|2,0,0]=4 703 B12R1.511 CC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_200000210301 [0,1,0,0,0,1|2,0,0]=4 704 B12R1.511 CC(=O)c1cc(cc(c1O)O)C 271570a_203496583355_100011659362 [0,1,0,0,0,1|2,0,0]=4 705 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)Br 1458a_200012920551_200025704644 [0,1,0,0,0,1|2,0,0]=4 706 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)C 1458a_200000701928_200025704644 [0,1,0,0,0,1|1,0,0]=3 707 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)Br 1458a_100009996753_200025704644 [0,1,0,0,0,1|2,0,0]=4 708 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)F 1458a_100000094381_200025704644 [0,1,0,0,0,1|2,0,0]=4 709 B12R1.511 Cc1cc(cc(c1C)C(=O)[13CH3])Br 1458a_100012920495_200025704644 [0,1,0,0,0,1|2,0,0]=4 710 B12R1.511 Cc1cc(cc(c1Cl)C(=O)[13CH3])F 1458a_200010768536_200025704644 [0,1,0,0,0,1|2,0,0]=4 711 B12R1.511 Cc1cc(cc(c1F)C(=O)[13CH3])Br 1458a_100012928937_200025704644 [0,1,0,0,0,1|2,0,0]=4 712 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100011825902_200025704644 [0,1,0,0,0,1|2,0,0]=4 713 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Cl 1458a_100011255218_200025704644 [0,1,0,0,0,1|2,0,0]=4 714 B12R1.1005 C=C(C)c1cc(c(c(c1)C)C)C 271570a_100000694244_200011015895 [0,1,0,0,0,1|2,0,0]=4 715 B12R1.1005 C=C(C)c1cc(c(c(c1)C)F)C 271570a_100000694244_100009814169 [0,1,0,0,0,1|2,0,0]=4 716 B12R1.1005 C=C(C)c1cc(c(c(c1)C)N)C 271570a_100000694244_100000737279 [0,1,0,0,0,1|2,0,0]=4 717 B12R1.1005 C=C(C)c1cc(c(c(c1)C)O)C 271570a_100000694244_100000187306 [0,1,0,0,0,1|2,0,0]=4 718 B12R1.1005 C=C(C)c1cc(c(c(n1)C)N)C 271570a_100000694244_100009817025 [0,1,0,0,0,1|2,0,0]=4 719 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_200000210301 [0,1,0,0,0,1|1,0,0]=3 720 B12R1.1005 CC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_200000210301 [0,1,0,0,0,1|1,0,0]=3 721 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_200000210301 [0,1,0,0,0,1|1,0,0]=3 722 B12R1.1005 CC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_200000210301 [0,1,0,0,0,1|1,0,0]=3 723 B12R1.1005 CC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_200000210301 [0,1,0,0,0,1|1,0,0]=3 724 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [0,1,0,0,0,1|1,0,0]=3 725 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)C 1458a_100000061453_200000210301 [0,1,0,0,0,1|2,0,0]=4 726 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)[13CH3] 1458a_100000700660_200025704644 [0,1,0,0,0,1|1,0,0]=3 727 B12R1.1005 Cc1cc(cc(c1C)C)C(=O)[13CH3] 1458a_100000075298_200025704644 [0,1,0,0,0,1|1,0,0]=3 728 B12R1.1005 Cc1cc(cc(c1Cl)C)C(=O)[13CH3] 1458a_100000102532_200025704644 [0,1,0,0,0,1|1,0,0]=3 729 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)[13CH3] 1458a_100000741972_200025704644 [0,1,0,0,0,1|1,0,0]=3 730 B12R1.1005 Cc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000061453_200025704644 [0,1,0,0,0,1|2,0,0]=4 731 B12R1.1005 Cc1cc(cc(c1I)C)C(=O)[13CH3] 1458a_100010769667_200025704644 [0,1,0,0,0,1|1,0,0]=3 732 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)N 271570a_203496583355_200009816865 [0,1,0,0,0,1|2,0,0]=4 733 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [0,1,0,0,0,1|1,0,0]=3 734 B12R1.57 C=C(C)c1ccc(cc1CO)C 271570a_100000694244_100012361352 [0,1,0,0,0,1|2,0,0]=4 735 B12R1.57 C=C(C)c1ccc(cc1OC)C 271570a_100000694244_100010200004 [0,1,0,0,0,1|2,0,0]=4 736 B12R1.57 C=C(C)c1ccc(cc1SC)C 271570a_100000694244_200010709736 [0,1,0,0,0,1|2,0,0]=4 737 B12R1.57 C=C(C)c1ccc(nc1CO)C 271570a_100000694244_100010074375 [0,1,0,0,0,1|2,0,0]=4 738 B12R1.57 C=C(C)c1ccc(nc1OC)C 271570a_100000694244_100010138632 [0,1,0,0,0,1|2,0,0]=4 739 B12R1.57 C=C(C)c1cnc(cc1CO)C 271570a_100000694244_100015579599 [0,1,0,0,0,1|2,0,0]=4 740 B12R1.57 C=C(C)c1cnc(cc1OC)C 271570a_100000694244_100000717771 [0,1,0,0,0,1|2,0,0]=4 741 B12R1.57 C=C(C)c1ncc(cc1CO)C 271570a_100000694244_100000118064 [0,1,0,0,0,1|2,0,0]=4 742 B12R1.57 C=C(C)c1ncc(cc1OC)C 271570a_100000694244_200000118316 [0,1,0,0,0,1|2,0,0]=4 743 B12R1.57 C=C(C)c1ncc(cc1SC)C 271570a_100000694244_100010884634 [0,1,0,0,0,1|2,0,0]=4 744 B12R1.57 C=Cc1cc(ccc1C(=O)C)C 271570a_100011290941_100012353930 [0,1,0,0,0,1|1,0,1]=4 745 B12R1.57 CC(=O)c1ccc(cc1C#N)C 1458a_200012184421_200000210301 [0,1,0,0,0,1|1,0,1]=4 746 B12R1.57 CC(=O)c1ccc(cc1CO)Br 1458a_100010253900_200000210301 [0,1,0,0,0,1|2,0,0]=4 747 B12R1.57 CC(=O)c1ccc(cc1CO)F 1458a_100013035055_200000210301 [0,1,0,0,0,1|2,0,0]=4 748 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Br 7a_100000188348_200025704644 [0,1,0,0,0,1|2,0,0]=4 749 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,1,0,0,0,1|1,0,0]=3 750 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,1,0,0,0,1|1,0,0]=3 751 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,1,0,0,0,1|2,0,0]=4 752 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,1,0,0,0,1|2,0,0]=4 753 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])F 7a_100011215782_200025704644 [0,1,0,0,0,1|2,0,0]=4 754 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [0,1,0,0,0,1|1,0,0]=3 755 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [0,1,0,0,0,1|1,0,0]=3 756 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])F 62a_100000686192_200025704644 [0,1,0,0,0,1|2,0,0]=4 757 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])O 62a_100012340537_200025704644 [0,1,0,0,0,1|2,0,0]=4 758 B12R1.57 CCc1cc(ccc1C(=O)C)Br 1458a_200012349896_200000210301 [0,1,0,0,0,1|2,0,0]=4 759 B12R1.57 CCc1cc(ccc1C(=O)[13CH3])Br 1458a_200012349896_200025704644 [0,1,0,0,0,1|2,0,0]=4 760 B12R1.57 CNc1cc(ccc1C(=O)C)F 27a_100102657272_100000686192 [0,1,0,0,0,1|2,0,0]=4 761 B12R1.57 CNc1cc(ccc1C(=O)N)C 34a_100011219537_200000210301 [0,1,0,0,0,1|2,0,0]=4 762 B12R1.57 CNc1cc(ccc1C(=O)N)C 7a_100011219537_200000210301 [0,1,0,0,0,1|2,0,0]=4 763 B12R1.57 CNc1nc(ccc1C(=O)N)C 27a_100102657272_100000041523 [0,1,0,0,0,1|2,0,0]=4 764 B12R1.57 COc1cc(ccc1C(=O)C)Br 1458a_100000748230_200000210301 [0,1,0,0,0,1|2,0,0]=4 765 B12R1.57 COc1cc(ccc1C(=O)C)Br 7a_100000188348_200000210301 [0,1,0,0,0,1|2,0,0]=4 766 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,1,0,0,0,1|1,0,0]=3 767 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,1,0,0,0,1|1,0,0]=3 768 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,1,0,0,0,1|1,0,0]=3 769 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,1,0,0,0,1|2,0,0]=4 770 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,1,0,0,0,1|2,0,0]=4 771 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,1,0,0,0,1|2,0,0]=4 772 B12R1.57 COc1cc(ccc1C(=O)C)F 1458a_100000239970_200000210301 [0,1,0,0,0,1|2,0,0]=4 773 B12R1.57 COc1cc(ccc1C(=O)C)F 7a_100011215782_200000210301 [0,1,0,0,0,1|2,0,0]=4 774 B12R1.57 COc1cc(ccc1C(=O)C)I 1458a_100012353712_200000210301 [0,1,0,0,0,1|2,0,0]=4 775 B12R1.57 COc1cc(ccc1C(=O)C)O 271570a_203496583355_100000709911 [0,1,0,0,0,1|2,0,0]=4 776 B12R1.57 COc1cc(ccc1C(=O)N)C 34a_100000192831_200000210301 [0,1,0,0,0,1|2,0,0]=4 777 B12R1.57 COc1cc(ccc1C(=O)N)C 7a_100000192831_200000210301 [0,1,0,0,0,1|2,0,0]=4 778 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Br 1458a_100000748230_200025704644 [0,1,0,0,0,1|2,0,0]=4 779 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,1,0,0,0,1|1,0,0]=3 780 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,1,0,0,0,1|2,0,0]=4 781 B12R1.57 COc1cc(ccc1C(=O)[13CH3])F 1458a_100000239970_200025704644 [0,1,0,0,0,1|2,0,0]=4 782 B12R1.57 COc1cc(ccc1C(=O)[13CH3])I 1458a_100012353712_200025704644 [0,1,0,0,0,1|2,0,0]=4 783 B12R1.57 COc1cc(cnc1C(=O)C)O 271570a_203496583355_100010137934 [0,1,0,0,0,1|2,0,0]=4 784 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [0,1,0,0,0,1|1,0,0]=3 785 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [0,1,0,0,0,1|1,0,0]=3 786 B12R1.57 CSc1cc(ccc1C(=O)C)F 62a_100000686192_200000210301 [0,1,0,0,0,1|2,0,0]=4 787 B12R1.57 CSc1cc(ccc1C(=O)C)O 62a_100012340537_200000210301 [0,1,0,0,0,1|2,0,0]=4 788 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_100000041523_200000210301 [0,1,0,0,0,1|2,0,0]=4 789 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_200000210301_100000041523 [0,1,0,0,0,1|2,0,0]=4 790 B12R1.57 Cc1ccc(c(c1)C#N)C(=O)[13CH3] 1458a_200012184421_200025704644 [0,1,0,0,0,1|1,0,1]=4 791 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 34a_100011219537_200025704644 [0,1,0,0,0,1|2,0,0]=4 792 B12R1.57 Cc1ccc(c(c1)N[13CH3])C(=O)N 7a_100011219537_200025704644 [0,1,0,0,0,1|2,0,0]=4 793 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 34a_100000192831_200025704644 [0,1,0,0,0,1|2,0,0]=4 794 B12R1.57 Cc1ccc(c(c1)O[13CH3])C(=O)N 7a_100000192831_200025704644 [0,1,0,0,0,1|2,0,0]=4 795 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_100000041523_200025704644 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_200025704644_100000041523 [0,1,0,0,0,1|2,0,0]=4 797 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)Br 1458a_100010253900_200025704644 [0,1,0,0,0,1|2,0,0]=4 798 B12R1.57 [13CH3]C(=O)c1ccc(cc1CO)F 1458a_100013035055_200025704644 [0,1,0,0,0,1|2,0,0]=4 799 B12R1.232 C=C(C)c1cc(c(cc1C)C)C 271570a_100000694244_100000759388 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.232 C=C(C)c1cc(c(cc1C)C)N 271570a_100000694244_100000703630 [0,1,0,0,0,1|2,0,0]=4 801 B12R1.232 CC(=O)c1cc(c(cc1Br)C)F 1458a_200012355688_200000210301 [0,1,0,0,0,1|2,0,0]=4 802 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.232 CC(=O)c1cc(c(cc1C)Br)F 1458a_100012344525_200000210301 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.232 CC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_200000210301 [0,1,0,0,0,1|1,0,0]=3 805 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,1,0,0,0,1|1,0,0]=3 806 B12R1.232 CC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_200000210301 [0,1,0,0,0,1|1,0,0]=3 807 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_200000210301 [0,1,0,0,0,1|2,0,0]=4 808 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)F 1458a_200010768543_200000210301 [0,1,0,0,0,1|2,0,0]=4 809 B12R1.232 CC(=O)c1cc(c(cc1C)F)Br 1458a_100000724332_200000210301 [0,1,0,0,0,1|2,0,0]=4 810 B12R1.232 CC(=O)c1cc(c(cc1C)F)F 1458a_100000062099_200000210301 [0,1,0,0,0,1|2,0,0]=4 811 B12R1.232 CC(=O)c1cc(c(cc1C)F)I 1458a_100013328184_200000210301 [0,1,0,0,0,1|2,0,0]=4 812 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)Cl 1458a_100013033594_200000210301 [0,1,0,0,0,1|2,0,0]=4 813 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)F 1458a_100009857485_200000210301 [0,1,0,0,0,1|2,0,0]=4 814 B12R1.232 CC(=O)c1cc(c(cc1F)C)Br 1458a_100012920545_200000210301 [0,1,0,0,0,1|2,0,0]=4 815 B12R1.232 CC(=O)c1cc(c(cc1F)C)Cl 1458a_100012180961_200000210301 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.232 CC(=O)c1cc(c(cc1F)C)F 1458a_100000686409_200000210301 [0,1,0,0,0,1|2,0,0]=4 817 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [0,1,0,0,0,1|2,0,0]=4 818 B12R1.232 CC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_200000210301 [0,1,0,0,0,1|2,0,0]=4 819 B12R1.232 CC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_200000210301 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,1,0,0,0,1|2,0,0]=4 822 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100012920494_200025704644 [0,1,0,0,0,1|1,0,0]=3 823 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100012920545_200025704644 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100010233826_200025704644 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,1,0,0,0,1|2,0,0]=4 826 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100000724332_200025704644 [0,1,0,0,0,1|2,0,0]=4 827 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100010439669_200025704644 [0,1,0,0,0,1|2,0,0]=4 828 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100012344525_200025704644 [0,1,0,0,0,1|2,0,0]=4 829 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Cl 1458a_200010768543_200025704644 [0,1,0,0,0,1|2,0,0]=4 830 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062099_200025704644 [0,1,0,0,0,1|2,0,0]=4 831 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])I)F 1458a_100013328184_200025704644 [0,1,0,0,0,1|2,0,0]=4 832 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,1,0,0,0,1|1,0,0]=3 833 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])I 1458a_100010184404_200025704644 [0,1,0,0,0,1|2,0,0]=4 834 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,1,0,0,0,1|2,0,0]=4 835 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])Cl 1458a_100013033594_200025704644 [0,1,0,0,0,1|2,0,0]=4 836 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])F 1458a_100012180961_200025704644 [0,1,0,0,0,1|2,0,0]=4 837 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Br 1458a_200012355688_200025704644 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Cl 1458a_100009857485_200025704644 [0,1,0,0,0,1|2,0,0]=4 839 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100000686409_200025704644 [0,1,0,0,0,1|2,0,0]=4 840 B12R1.232 Cc1cc(c(cc1I)C(=O)[13CH3])C 1458a_100000723791_200025704644 [0,1,0,0,0,1|1,0,0]=3 841 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [0,1,0,0,0,1|2,0,0]=4 842 B12R1.452 C=C(C)c1ccc(cc1C)CN 271570a_100000694244_100015205234 [0,1,0,0,0,1|2,0,0]=4 843 B12R1.452 C=C(C)c1ccc(cc1C)CO 271570a_100000694244_100000718852 [0,1,0,0,0,1|2,0,0]=4 844 B12R1.452 C=C(C)c1ccc(cc1C)NC 271570a_100000694244_100102888905 [0,1,0,0,0,1|2,0,0]=4 845 B12R1.452 C=C(C)c1ccc(cc1C)OC 271570a_100000694244_100000759875 [0,1,0,0,0,1|2,0,0]=4 846 B12R1.452 C=C(C)c1ccc(nc1C)CO 271570a_100000694244_100010114280 [0,1,0,0,0,1|2,0,0]=4 847 B12R1.452 C=C(C)c1ccc(nc1C)OC 271570a_100000694244_100000766551 [0,1,0,0,0,1|2,0,0]=4 848 B12R1.452 C=C(C)c1cnc(cc1C)CO 271570a_100000694244_200010713146 [0,1,0,0,0,1|2,0,0]=4 849 B12R1.452 C=C(C)c1cnc(cc1C)NC 271570a_100000694244_100012352278 [0,1,0,0,0,1|2,0,0]=4 850 B12R1.452 C=C(C)c1cnc(cc1C)OC 271570a_100000694244_100011934368 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.452 C=C(C)c1cnc(nc1C)OC 271570a_100000694244_100010152497 [0,1,0,0,0,1|2,0,0]=4 852 B12R1.452 C=C(C)c1cnc(nc1C)SC 271570a_100000694244_100015672207 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.452 C=C(C)c1ncc(cc1C)CO 271570a_100000694244_200000092119 [0,1,0,0,0,1|2,0,0]=4 854 B12R1.452 C=C(C)c1ncc(cc1C)OC 271570a_100000694244_200009851512 [0,1,0,0,0,1|2,0,0]=4 855 B12R1.452 C=C(C)c1ncc(cc1C)SC 271570a_100000694244_203440288091 [0,1,0,0,0,1|2,0,0]=4 856 B12R1.452 C=C(C)c1ncc(nc1C)OC 271570a_100000694244_200010730098 [0,1,0,0,0,1|2,0,0]=4 857 B12R1.452 C=Cc1ccc(c(c1)C)C(=O)C 271570a_100011290941_100012360112 [0,1,0,0,0,1|1,0,1]=4 858 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 34a_100012340537_200025704644 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.452 CC(=O)c1ccc(cc1Br)O[13CH3] 7a_100012340537_200025704644 [0,1,0,0,0,1|2,0,0]=4 860 B12R1.452 CC(=O)c1ccc(cc1C)C#N 1458a_100000691869_200000210301 [0,1,0,0,0,1|1,0,1]=4 861 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,1,0,0,0,1|1,0,0]=3 862 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,1,0,0,0,1|1,0,0]=3 863 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,1,0,0,0,1|1,0,0]=3 864 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,1,0,0,0,1|1,0,0]=3 865 B12R1.452 CC(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200000210301 [0,1,0,0,0,1|2,0,0]=4 866 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 34a_100011933989_200025704644 [0,1,0,0,0,1|2,0,0]=4 867 B12R1.452 CC(=O)c1ccc(cc1Cl)O[13CH3] 7a_100011933989_200025704644 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.452 CC(=O)c1ccc(cc1F)CO 1458a_100011934814_200000210301 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 34a_100000752407_200025704644 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.452 CC(=O)c1ccc(cc1F)O[13CH3] 7a_100000752407_200025704644 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.452 CC(=O)c1ccc(cc1F)S[13CH3] 62a_100000690205_200025704644 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.452 CC(=O)c1ccc(cc1N)S[13CH3] 62a_100011590516_200025704644 [0,1,0,0,0,1|2,0,0]=4 873 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_100000696590_200025704644 [0,1,0,0,0,1|2,0,0]=4 874 B12R1.452 CC(=O)c1ncc(cc1F)S[13CH3] 62a_200025704644_100000696590 [0,1,0,0,0,1|2,0,0]=4 875 B12R1.452 CCc1ccc(c(c1)F)C(=O)C 1458a_200009867912_200000210301 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.452 CCc1ccc(c(c1)F)C(=O)[13CH3] 1458a_200009867912_200025704644 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.452 CNc1cc(c(cn1)C(=O)N)C 27a_100102657272_200134614278 [0,1,0,0,0,1|2,0,0]=4 878 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 27a_100102657272_100011327924 [0,1,0,0,0,1|2,0,0]=4 879 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 34a_200000751758_200000210301 [0,1,0,0,0,1|2,0,0]=4 880 B12R1.452 CNc1ccc(c(c1)C)C(=O)N 7a_200000751758_200000210301 [0,1,0,0,0,1|2,0,0]=4 881 B12R1.452 CNc1ccc(c(c1)F)C(=O)C 27a_100102657272_100000690205 [0,1,0,0,0,1|2,0,0]=4 882 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 1458a_100000748873_200000210301 [0,1,0,0,0,1|2,0,0]=4 883 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 34a_100012340537_200000210301 [0,1,0,0,0,1|2,0,0]=4 884 B12R1.452 COc1ccc(c(c1)Br)C(=O)C 7a_100012340537_200000210301 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.452 COc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000748873_200025704644 [0,1,0,0,0,1|2,0,0]=4 886 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,1,0,0,0,1|1,0,0]=3 887 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,1,0,0,0,1|1,0,0]=3 888 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,1,0,0,0,1|1,0,0]=3 889 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,1,0,0,0,1|1,0,0]=3 890 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 1458a_100000753557_200000210301 [0,1,0,0,0,1|2,0,0]=4 891 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 34a_100011933989_200000210301 [0,1,0,0,0,1|2,0,0]=4 892 B12R1.452 COc1ccc(c(c1)Cl)C(=O)C 7a_100011933989_200000210301 [0,1,0,0,0,1|2,0,0]=4 893 B12R1.452 COc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000753557_200025704644 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.452 COc1ccc(c(c1)F)C(=O)C 1458a_100000198494_200000210301 [0,1,0,0,0,1|2,0,0]=4 895 B12R1.452 COc1ccc(c(c1)F)C(=O)C 34a_100000752407_200000210301 [0,1,0,0,0,1|2,0,0]=4 896 B12R1.452 COc1ccc(c(c1)F)C(=O)C 7a_100000752407_200000210301 [0,1,0,0,0,1|2,0,0]=4 897 B12R1.452 COc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000198494_200025704644 [0,1,0,0,0,1|2,0,0]=4 898 B12R1.452 COc1ccc(c(c1)I)C(=O)C 1458a_100000688016_200000210301 [0,1,0,0,0,1|2,0,0]=4 899 B12R1.452 COc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100000688016_200025704644 [0,1,0,0,0,1|2,0,0]=4 900 B12R1.452 COc1ccc(c(c1)O)C(=O)C 1458a_100000212123_200000210301 [0,1,0,0,0,1|2,0,0]=4 901 B12R1.452 COc1ccc(c(c1)O)C(=O)C 271570a_203496583355_100000697255 [0,1,0,0,0,1|2,0,0]=4 902 B12R1.452 COc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212123_200025704644 [0,1,0,0,0,1|2,0,0]=4 903 B12R1.452 CSc1cc(c(cn1)C(=O)N)C 62a_200000210301_200134614278 [0,1,0,0,0,1|2,0,0]=4 904 B12R1.452 CSc1cc(c(cn1)C(=O)N)C 62a_200134614278_200000210301 [0,1,0,0,0,1|2,0,0]=4 905 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,1,0,0,0,1|1,0,0]=3 906 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,1,0,0,0,1|1,0,0]=3 907 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,1,0,0,0,1|1,0,0]=3 908 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_100011327924_200000210301 [0,1,0,0,0,1|2,0,0]=4 909 B12R1.452 CSc1ccc(c(c1)C)C(=O)N 62a_200000210301_100011327924 [0,1,0,0,0,1|2,0,0]=4 910 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,1,0,0,0,1|1,0,0]=3 911 B12R1.452 CSc1ccc(c(c1)F)C(=O)C 62a_100000690205_200000210301 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.452 CSc1ccc(c(c1)N)C(=O)C 62a_100011590516_200000210301 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_100000696590_200000210301 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.452 CSc1cnc(c(c1)F)C(=O)C 62a_200000210301_100000696590 [0,1,0,0,0,1|2,0,0]=4 915 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 34a_200000751758_200025704644 [0,1,0,0,0,1|2,0,0]=4 916 B12R1.452 Cc1cc(ccc1C(=O)N)N[13CH3] 7a_200000751758_200025704644 [0,1,0,0,0,1|2,0,0]=4 917 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_100011327924_200025704644 [0,1,0,0,0,1|2,0,0]=4 918 B12R1.452 Cc1cc(ccc1C(=O)N)S[13CH3] 62a_200025704644_100011327924 [0,1,0,0,0,1|2,0,0]=4 919 B12R1.452 Cc1cc(ccc1C(=O)[13CH3])C#N 1458a_100000691869_200025704644 [0,1,0,0,0,1|1,0,1]=4 920 B12R1.452 Cc1cc(ncc1C(=O)N)S[13CH3] 62a_200025704644_200134614278 [0,1,0,0,0,1|2,0,0]=4 921 B12R1.452 Cc1cc(ncc1C(=O)N)S[13CH3] 62a_200134614278_200025704644 [0,1,0,0,0,1|2,0,0]=4 922 B12R1.452 [13CH3]C(=O)c1ccc(cc1Cl)CO 1458a_100015659073_200025704644 [0,1,0,0,0,1|2,0,0]=4 923 B12R1.452 [13CH3]C(=O)c1ccc(cc1F)CO 1458a_100011934814_200025704644 [0,1,0,0,0,1|2,0,0]=4 924 B12R1.893 C=C(C)c1ccc(c(c1C)N)C 271570a_100000694244_200010074581 [0,1,0,0,0,1|2,0,0]=4 925 B12R1.893 CC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_200000210301 [0,1,0,0,0,1|2,0,0]=4 926 B12R1.893 CC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_200000210301 [0,1,0,0,0,1|2,0,0]=4 927 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)C 1458a_100000722910_200000210301 [0,1,0,0,0,1|2,0,0]=4 928 B12R1.893 CC(=O)c1ccc(c(c1F)F)C 1458a_100011219789_200000210301 [0,1,0,0,0,1|2,0,0]=4 929 B12R1.893 CC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_200000210301 [0,1,0,0,0,1|2,0,0]=4 930 B12R1.893 CC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_200000210301 [0,1,0,0,0,1|2,0,0]=4 931 B12R1.893 Cc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061971_200025704644 [0,1,0,0,0,1|2,0,0]=4 932 B12R1.893 Cc1ccc(c(c1C)F)C(=O)[13CH3] 1458a_100010768504_200025704644 [0,1,0,0,0,1|2,0,0]=4 933 B12R1.893 Cc1ccc(c(c1C)I)C(=O)[13CH3] 1458a_100010188221_200025704644 [0,1,0,0,0,1|2,0,0]=4 934 B12R1.893 Cc1ccc(c(c1C)O)C(=O)[13CH3] 1458a_100000742916_200025704644 [0,1,0,0,0,1|2,0,0]=4 935 B12R1.893 Cc1ccc(c(c1Cl)F)C(=O)[13CH3] 1458a_100000722910_200025704644 [0,1,0,0,0,1|2,0,0]=4 936 B12R1.893 Cc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100011219789_200025704644 [0,1,0,0,0,1|2,0,0]=4 937 B12R1.1000 C=C(C)c1c(cc(cc1Br)C)C 271570a_100000694244_200012353697 [0,1,0,0,0,1|2,0,0]=4 938 B12R1.1000 C=C(C)c1c(cc(cc1C)C)C 271570a_100000694244_100011204320 [0,1,0,0,0,1|2,0,0]=4 939 B12R1.1000 C=C(C)c1c(cc(cc1O)C)C 271570a_100000694244_100010342985 [0,1,0,0,0,1|2,0,0]=4 940 B12R1.1000 C=C(C)c1c(cc(nc1C)C)N 271570a_100000694244_100010261885 [0,1,0,0,0,1|2,0,0]=4 941 B12R1.1000 C=C(C)c1c(nc(nc1Cl)C)C 271570a_100000694244_200011356833 [0,1,0,0,0,1|2,0,0]=4 942 B12R1.1000 CC(=O)c1c(cc(cc1Br)C)F 1458a_100010768510_200000210301 [0,1,0,0,0,1|2,0,0]=4 943 B12R1.1000 CC(=O)c1c(cc(cc1Br)F)C 1458a_100010204434_200000210301 [0,1,0,0,0,1|2,0,0]=4 944 B12R1.1000 CC(=O)c1c(cc(cc1C)Br)C 1458a_100000739581_200000210301 [0,1,0,0,0,1|2,0,0]=4 945 B12R1.1000 CC(=O)c1c(cc(cc1C)C)C 1458a_100000211658_200000210301 [0,1,0,0,0,1|1,0,0]=3 946 B12R1.1000 CC(=O)c1c(cc(cc1C)Cl)C 1458a_100000088873_200000210301 [0,1,0,0,0,1|2,0,0]=4 947 B12R1.1000 CC(=O)c1c(cc(cc1C)F)C 1458a_100012017201_200000210301 [0,1,0,0,0,1|2,0,0]=4 948 B12R1.1000 CC(=O)c1c(cc(cc1C)O)C 1458a_100000066486_200000210301 [0,1,0,0,0,1|2,0,0]=4 949 B12R1.1000 CC(=O)c1c(cc(cc1Cl)Br)C 1458a_100000698028_200000210301 [0,1,0,0,0,1|2,0,0]=4 950 B12R1.1000 CC(=O)c1c(cc(cc1Cl)C)Cl 1458a_100009989429_200000210301 [0,1,0,0,0,1|2,0,0]=4 951 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)C 1458a_100000708665_200000210301 [0,1,0,0,0,1|2,0,0]=4 952 B12R1.1000 CC(=O)c1c(cc(cc1F)C)F 1458a_100009878570_200000210301 [0,1,0,0,0,1|2,0,0]=4 953 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)C 1458a_100010768517_200000210301 [0,1,0,0,0,1|2,0,0]=4 954 B12R1.1000 CC(=O)c1c(cc(cc1I)C)I 1458a_200010371430_200000210301 [0,1,0,0,0,1|2,0,0]=4 955 B12R1.1000 CC(=O)c1c(cc(cc1I)F)C 1458a_200010371433_200000210301 [0,1,0,0,0,1|2,0,0]=4 956 B12R1.1000 CC(=O)c1c(cc(cc1O)C)C 1458a_100011255216_200000210301 [0,1,0,0,0,1|1,0,0]=3 957 B12R1.1000 CC(=O)c1c(cc(cc1O)C)O 1458a_100000036929_200000210301 [0,1,0,0,0,1|2,0,0]=4 958 B12R1.1000 CC(=O)c1c(cc(cc1O)O)C 1458a_200000061528_200000210301 [0,1,0,0,0,1|2,0,0]=4 959 B12R1.1000 Cc1cc(c(c(c1)Br)C(=O)[13CH3])F 1458a_100010768510_200025704644 [0,1,0,0,0,1|2,0,0]=4 960 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)[13CH3])C 1458a_100000211658_200025704644 [0,1,0,0,0,1|1,0,0]=3 961 B12R1.1000 Cc1cc(c(c(c1)Cl)C(=O)[13CH3])Cl 1458a_100009989429_200025704644 [0,1,0,0,0,1|2,0,0]=4 962 B12R1.1000 Cc1cc(c(c(c1)F)C(=O)[13CH3])F 1458a_100009878570_200025704644 [0,1,0,0,0,1|2,0,0]=4 963 B12R1.1000 Cc1cc(c(c(c1)I)C(=O)[13CH3])I 1458a_200010371430_200025704644 [0,1,0,0,0,1|2,0,0]=4 964 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])C 1458a_100011255216_200025704644 [0,1,0,0,0,1|1,0,0]=3 965 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])O 1458a_100000036929_200025704644 [0,1,0,0,0,1|2,0,0]=4 966 B12R1.1000 Cc1cc(c(c(n1)O)C(=O)N)C 271570a_203496583355_100000017153 [0,1,0,0,0,1|2,0,0]=4 967 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Br)F 1458a_100010204434_200025704644 [0,1,0,0,0,1|2,0,0]=4 968 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Br 1458a_100000739581_200025704644 [0,1,0,0,0,1|2,0,0]=4 969 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)Cl 1458a_100000088873_200025704644 [0,1,0,0,0,1|2,0,0]=4 970 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)F 1458a_100012017201_200025704644 [0,1,0,0,0,1|2,0,0]=4 971 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])C)O 1458a_100000066486_200025704644 [0,1,0,0,0,1|2,0,0]=4 972 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])Cl)Br 1458a_100000698028_200025704644 [0,1,0,0,0,1|2,0,0]=4 973 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Br 1458a_100000708665_200025704644 [0,1,0,0,0,1|2,0,0]=4 974 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])F)Cl 1458a_100010768517_200025704644 [0,1,0,0,0,1|2,0,0]=4 975 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])I)F 1458a_200010371433_200025704644 [0,1,0,0,0,1|2,0,0]=4 976 B12R1.1000 Cc1cc(cc(c1C(=O)[13CH3])O)O 1458a_200000061528_200025704644 [0,1,0,0,0,1|2,0,0]=4 977 B12R1.1703 CCC(=O)c1ccc(cc1Br)C 1458a_100000685072_100000210202 [0,1,0,0,0,1|2,0,0]=4 978 B12R1.1703 CCC(=O)c1ccc(cc1C)Br 1458a_100000741311_100000210202 [0,1,0,0,0,1|2,0,0]=4 979 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,1,0,0,0,1|1,0,0]=3 980 B12R1.1703 CCC(=O)c1ccc(cc1C)Cl 1458a_100000688705_100000210202 [0,1,0,0,0,1|2,0,0]=4 981 B12R1.1703 CCC(=O)c1ccc(cc1C)F 1458a_100000686989_100000210202 [0,1,0,0,0,1|2,0,0]=4 982 B12R1.1703 CCC(=O)c1ccc(cc1C)I 1458a_100010189873_100000210202 [0,1,0,0,0,1|2,0,0]=4 983 B12R1.1703 CCC(=O)c1ccc(cc1C)O 1458a_100000692822_100000210202 [0,1,0,0,0,1|2,0,0]=4 984 B12R1.1703 CCC(=O)c1ccc(cc1C)O 271570a_203496583355_200012361375 [0,1,0,0,0,1|2,0,0]=4 985 B12R1.1703 CCC(=O)c1ccc(cc1Cl)C 1458a_100000766932_100000210202 [0,1,0,0,0,1|2,0,0]=4 986 B12R1.1703 CCC(=O)c1ccc(cc1F)C 1458a_100000766033_100000210202 [0,1,0,0,0,1|2,0,0]=4 987 B12R1.1703 CCC(=O)c1ccc(cc1I)C 1458a_100009999607_100000210202 [0,1,0,0,0,1|2,0,0]=4 988 B12R1.1703 CCC(=O)c1ccc(cc1O)C 1458a_100000212137_100000210202 [0,1,0,0,0,1|2,0,0]=4 989 B12R1.1703 CCC(=O)c1ccc(cc1O)C 271570a_203496583355_200012349623 [0,1,0,0,0,1|2,0,0]=4 990 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 11a_106832991635_100000685072 [0,1,0,0,0,1|2,0,0]=4 991 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 1626a_100102657272_100000685072 [0,1,0,0,0,1|2,0,0]=4 992 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 240690a_100102657272_100000685072 [0,1,0,0,0,1|2,0,0]=4 993 B12R1.1703 CNC(=O)c1ccc(cc1Br)C 527a_100102657272_100000685072 [0,1,0,0,0,1|2,0,0]=4 994 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 11a_106832991635_100000741311 [0,1,0,0,0,1|2,0,0]=4 995 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 1626a_100102657272_100000741311 [0,1,0,0,0,1|2,0,0]=4 996 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 240690a_100102657272_100000741311 [0,1,0,0,0,1|2,0,0]=4 997 B12R1.1703 CNC(=O)c1ccc(cc1C)Br 527a_100102657272_100000741311 [0,1,0,0,0,1|2,0,0]=4 998 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,1,0,0,0,1|1,0,0]=3 999 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,1,0,0,0,1|1,0,0]=3 1000 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,1,0,0,0,1|1,0,0]=3 1001 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,1,0,0,0,1|1,0,0]=3 1002 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 11a_106832991635_100000688705 [0,1,0,0,0,1|2,0,0]=4 1003 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 1626a_100102657272_100000688705 [0,1,0,0,0,1|2,0,0]=4 1004 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 240690a_100102657272_100000688705 [0,1,0,0,0,1|2,0,0]=4 1005 B12R1.1703 CNC(=O)c1ccc(cc1C)Cl 527a_100102657272_100000688705 [0,1,0,0,0,1|2,0,0]=4 1006 B12R1.1703 CNC(=O)c1ccc(cc1C)F 11a_106832991635_100000686989 [0,1,0,0,0,1|2,0,0]=4 1007 B12R1.1703 CNC(=O)c1ccc(cc1C)F 1626a_100102657272_100000686989 [0,1,0,0,0,1|2,0,0]=4 1008 B12R1.1703 CNC(=O)c1ccc(cc1C)F 240690a_100102657272_100000686989 [0,1,0,0,0,1|2,0,0]=4 1009 B12R1.1703 CNC(=O)c1ccc(cc1C)F 527a_100102657272_100000686989 [0,1,0,0,0,1|2,0,0]=4 1010 B12R1.1703 CNC(=O)c1ccc(cc1C)I 11a_106832991635_100010189873 [0,1,0,0,0,1|2,0,0]=4 1011 B12R1.1703 CNC(=O)c1ccc(cc1C)I 1626a_100102657272_100010189873 [0,1,0,0,0,1|2,0,0]=4 1012 B12R1.1703 CNC(=O)c1ccc(cc1C)I 240690a_100102657272_100010189873 [0,1,0,0,0,1|2,0,0]=4 1013 B12R1.1703 CNC(=O)c1ccc(cc1C)I 527a_100102657272_100010189873 [0,1,0,0,0,1|2,0,0]=4 1014 B12R1.1703 CNC(=O)c1ccc(cc1C)O 240690a_100102657272_100000692822 [0,1,0,0,0,1|2,0,0]=4 1015 B12R1.1703 CNC(=O)c1ccc(cc1C)O 527a_100102657272_100000692822 [0,1,0,0,0,1|2,0,0]=4 1016 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 11a_106832991635_100000766932 [0,1,0,0,0,1|2,0,0]=4 1017 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 1626a_100102657272_100000766932 [0,1,0,0,0,1|2,0,0]=4 1018 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 240690a_100102657272_100000766932 [0,1,0,0,0,1|2,0,0]=4 1019 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C 527a_100102657272_100000766932 [0,1,0,0,0,1|2,0,0]=4 1020 B12R1.1703 CNC(=O)c1ccc(cc1F)C 11a_106832991635_100000766033 [0,1,0,0,0,1|2,0,0]=4 1021 B12R1.1703 CNC(=O)c1ccc(cc1F)C 1626a_100102657272_100000766033 [0,1,0,0,0,1|2,0,0]=4 1022 B12R1.1703 CNC(=O)c1ccc(cc1F)C 240690a_100102657272_100000766033 [0,1,0,0,0,1|2,0,0]=4 1023 B12R1.1703 CNC(=O)c1ccc(cc1F)C 527a_100102657272_100000766033 [0,1,0,0,0,1|2,0,0]=4 1024 B12R1.1703 CNC(=O)c1ccc(cc1I)C 11a_106832991635_100009999607 [0,1,0,0,0,1|2,0,0]=4 1025 B12R1.1703 CNC(=O)c1ccc(cc1I)C 1626a_100102657272_100009999607 [0,1,0,0,0,1|2,0,0]=4 1026 B12R1.1703 CNC(=O)c1ccc(cc1I)C 240690a_100102657272_100009999607 [0,1,0,0,0,1|2,0,0]=4 1027 B12R1.1703 CNC(=O)c1ccc(cc1I)C 527a_100102657272_100009999607 [0,1,0,0,0,1|2,0,0]=4 1028 B12R1.1703 CNC(=O)c1ccc(cc1O)C 1626a_100102657272_100000212137 [0,1,0,0,0,1|2,0,0]=4 1029 B12R1.1703 CNC(=O)c1ccc(cc1O)C 240690a_100102657272_100000212137 [0,1,0,0,0,1|2,0,0]=4 1030 B12R1.1703 CNC(=O)c1ccc(cc1O)C 527a_100102657272_100000212137 [0,1,0,0,0,1|2,0,0]=4 1031 B12R1.1703 COC(=O)c1ccc(cc1C)O 271570a_203496583355_100000747612 [0,1,0,0,0,1|2,0,0]=4 1032 B12R1.1703 COC(=O)c1ccc(cc1O)C 271570a_203496583355_100012340597 [0,1,0,0,0,1|2,0,0]=4 1033 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [0,1,0,0,0,1|2,0,0]=4 1034 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [0,1,0,0,0,1|2,0,0]=4 1035 B12R1.1703 COC(=O)c1cnc(cc1C)O 271570a_203496583355_100009871181 [0,1,0,0,0,1|2,0,0]=4 1036 B12R1.1703 COC(=O)c1cnc(cc1O)C 271570a_203496583355_100011998247 [0,1,0,0,0,1|2,0,0]=4 1037 B12R1.1703 COC(=O)c1ncc(cc1C)O 271570a_203496583355_100010178714 [0,1,0,0,0,1|2,0,0]=4 1038 B12R1.1703 COC(=O)c1ncc(cc1O)C 271570a_203496583355_100010167497 [0,1,0,0,0,1|2,0,0]=4 1039 B12R1.1703 COC(=O)c1ncc(nc1O)C 271570a_203496583355_100000099855 [0,1,0,0,0,1|2,0,0]=4 1040 B12R1.1703 Cc1cc(ccc1C(=O)CF)Br 1458a_100000741311_100015361967 [0,1,0,0,0,1|2,0,0]=4 1041 B12R1.1703 Cc1cc(ccc1C(=O)CF)Cl 1458a_100000688705_100015361967 [0,1,0,0,0,1|2,0,0]=4 1042 B12R1.1703 Cc1cc(ccc1C(=O)CF)F 1458a_100000686989_100015361967 [0,1,0,0,0,1|2,0,0]=4 1043 B12R1.1703 Cc1cc(ccc1C(=O)CF)I 1458a_100010189873_100015361967 [0,1,0,0,0,1|2,0,0]=4 1044 B12R1.1703 Cc1cc(ccc1C(=O)CF)O 1458a_100000692822_100015361967 [0,1,0,0,0,1|2,0,0]=4 1045 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)CF 1458a_100000685072_100015361967 [0,1,0,0,0,1|2,0,0]=4 1046 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [0,1,0,0,0,1|1,0,0]=3 1047 B12R1.1703 Cc1ccc(c(c1)Cl)C(=O)CF 1458a_100000766932_100015361967 [0,1,0,0,0,1|2,0,0]=4 1048 B12R1.1703 Cc1ccc(c(c1)F)C(=O)CF 1458a_100000766033_100015361967 [0,1,0,0,0,1|2,0,0]=4 1049 B12R1.1703 Cc1ccc(c(c1)I)C(=O)CF 1458a_100009999607_100015361967 [0,1,0,0,0,1|2,0,0]=4 1050 B12R1.1703 Cc1ccc(c(c1)O)C(=O)CF 1458a_100000212137_100015361967 [0,1,0,0,0,1|2,0,0]=4 1051 B12R1.46 C=C(C)c1cc(ccc1NC)C 271570a_100000694244_100000221369 [0,1,0,0,0,1|2,0,0]=4 1052 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [0,1,0,0,0,1|2,0,0]=4 1053 B12R1.46 C=C(C)c1cc(ccc1SC)C 271570a_100000694244_200010201864 [0,1,0,0,0,1|2,0,0]=4 1054 B12R1.46 C=C(C)c1cc(cnc1OC)C 271570a_100000694244_100012353929 [0,1,0,0,0,1|2,0,0]=4 1055 B12R1.46 C=C(C)c1cc(ncc1CC)C 271570a_100000694244_100010291839 [0,1,0,0,0,1|2,0,0]=4 1056 B12R1.46 C=C(C)c1cc(ncc1OC)C 271570a_100000694244_100010109759 [0,1,0,0,0,1|2,0,0]=4 1057 B12R1.46 C=Cc1ccc(cc1C(=O)C)C 271570a_100011290941_100012361225 [0,1,0,0,0,1|1,0,1]=4 1058 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,1,0,0,0,1|2,0,0]=4 1059 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,1,0,0,0,1|2,0,0]=4 1060 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,1,0,0,0,1|1,0,0]=3 1061 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,1,0,0,0,1|1,0,0]=3 1062 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,1,0,0,0,1|2,0,0]=4 1063 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,1,0,0,0,1|2,0,0]=4 1064 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,1,0,0,0,1|2,0,0]=4 1065 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,1,0,0,0,1|2,0,0]=4 1066 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,1,0,0,0,1|2,0,0]=4 1067 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])Br 62a_100012349576_200025704644 [0,1,0,0,0,1|2,0,0]=4 1068 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,1,0,0,0,1|1,0,0]=3 1069 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,1,0,0,0,1|1,0,0]=3 1070 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_100012353695_200025704644 [0,1,0,0,0,1|2,0,0]=4 1071 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])F 62a_200025704644_100010200798 [0,1,0,0,0,1|2,0,0]=4 1072 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])N 62a_100012349454_200025704644 [0,1,0,0,0,1|2,0,0]=4 1073 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_100000118324_200025704644 [0,1,0,0,0,1|2,0,0]=4 1074 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100000118324 [0,1,0,0,0,1|2,0,0]=4 1075 B12R1.46 CCc1ccc(cc1C(=O)C)Br 1458a_100012343961_200000210301 [0,1,0,0,0,1|2,0,0]=4 1076 B12R1.46 CCc1ccc(cc1C(=O)[13CH3])Br 1458a_100012343961_200025704644 [0,1,0,0,0,1|2,0,0]=4 1077 B12R1.46 CNc1ccc(cc1C(=O)N)C 34a_100011692829_200000210301 [0,1,0,0,0,1|2,0,0]=4 1078 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,1,0,0,0,1|2,0,0]=4 1079 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,1,0,0,0,1|2,0,0]=4 1080 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,1,0,0,0,1|2,0,0]=4 1081 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,1,0,0,0,1|1,0,0]=3 1082 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,1,0,0,0,1|1,0,0]=3 1083 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,1,0,0,0,1|1,0,0]=3 1084 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,1,0,0,0,1|2,0,0]=4 1085 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,1,0,0,0,1|2,0,0]=4 1086 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,1,0,0,0,1|2,0,0]=4 1087 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,1,0,0,0,1|2,0,0]=4 1088 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,1,0,0,0,1|2,0,0]=4 1089 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,1,0,0,0,1|2,0,0]=4 1090 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,1,0,0,0,1|2,0,0]=4 1091 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,1,0,0,0,1|2,0,0]=4 1092 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,1,0,0,0,1|2,0,0]=4 1093 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,1,0,0,0,1|2,0,0]=4 1094 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [0,1,0,0,0,1|2,0,0]=4 1095 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [0,1,0,0,0,1|2,0,0]=4 1096 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,1,0,0,0,1|2,0,0]=4 1097 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,1,0,0,0,1|1,0,0]=3 1098 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,1,0,0,0,1|2,0,0]=4 1099 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,1,0,0,0,1|2,0,0]=4 1100 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,1,0,0,0,1|2,0,0]=4 1101 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,1,0,0,0,1|2,0,0]=4 1102 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,1,0,0,0,1|2,0,0]=4 1103 B12R1.46 CSc1ccc(cc1C(=O)C)Br 62a_100012349576_200000210301 [0,1,0,0,0,1|2,0,0]=4 1104 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,1,0,0,0,1|1,0,0]=3 1105 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,1,0,0,0,1|1,0,0]=3 1106 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_100012353695_200000210301 [0,1,0,0,0,1|2,0,0]=4 1107 B12R1.46 CSc1ccc(cc1C(=O)C)F 62a_200000210301_100010200798 [0,1,0,0,0,1|2,0,0]=4 1108 B12R1.46 CSc1ccc(cc1C(=O)C)N 62a_100012349454_200000210301 [0,1,0,0,0,1|2,0,0]=4 1109 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200000210301_200012349609 [0,1,0,0,0,1|2,0,0]=4 1110 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200012349609_200000210301 [0,1,0,0,0,1|2,0,0]=4 1111 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_100000118324_200000210301 [0,1,0,0,0,1|2,0,0]=4 1112 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_200000210301_100000118324 [0,1,0,0,0,1|2,0,0]=4 1113 B12R1.46 Cc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011692829_200025704644 [0,1,0,0,0,1|2,0,0]=4 1114 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [0,1,0,0,0,1|2,0,0]=4 1115 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [0,1,0,0,0,1|2,0,0]=4 1116 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200012349609_200025704644 [0,1,0,0,0,1|2,0,0]=4 1117 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200025704644_200012349609 [0,1,0,0,0,1|2,0,0]=4 1118 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,1,0,0,0,1|2,0,0]=4 1119 B12R1.354 CCC(=O)c1cc(ccc1C)Br 1458a_100000759961_100000210202 [0,1,0,0,0,1|2,0,0]=4 1120 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,1,0,0,0,1|1,0,0]=3 1121 B12R1.354 CCC(=O)c1cc(ccc1C)Cl 1458a_100000692595_100000210202 [0,1,0,0,0,1|2,0,0]=4 1122 B12R1.354 CCC(=O)c1cc(ccc1C)F 1458a_100000240043_100000210202 [0,1,0,0,0,1|2,0,0]=4 1123 B12R1.354 CCC(=O)c1cc(ccc1C)I 1458a_100000688012_100000210202 [0,1,0,0,0,1|2,0,0]=4 1124 B12R1.354 CCC(=O)c1cc(ccc1C)O 1458a_100000687834_100000210202 [0,1,0,0,0,1|2,0,0]=4 1125 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,1,0,0,0,1|2,0,0]=4 1126 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,1,0,0,0,1|2,0,0]=4 1128 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,1,0,0,0,1|2,0,0]=4 1129 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,1,0,0,0,1|2,0,0]=4 1130 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,1,0,0,0,1|2,0,0]=4 1131 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,1,0,0,0,1|2,0,0]=4 1132 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,1,0,0,0,1|2,0,0]=4 1133 B12R1.354 CNC(=O)c1cc(ccc1C)Br 11a_106832991635_100000759961 [0,1,0,0,0,1|2,0,0]=4 1134 B12R1.354 CNC(=O)c1cc(ccc1C)Br 1626a_100102657272_100000759961 [0,1,0,0,0,1|2,0,0]=4 1135 B12R1.354 CNC(=O)c1cc(ccc1C)Br 240690a_100102657272_100000759961 [0,1,0,0,0,1|2,0,0]=4 1136 B12R1.354 CNC(=O)c1cc(ccc1C)Br 527a_100102657272_100000759961 [0,1,0,0,0,1|2,0,0]=4 1137 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,1,0,0,0,1|1,0,0]=3 1138 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,1,0,0,0,1|1,0,0]=3 1139 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,1,0,0,0,1|1,0,0]=3 1140 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,1,0,0,0,1|1,0,0]=3 1141 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 11a_106832991635_100000692595 [0,1,0,0,0,1|2,0,0]=4 1142 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 1626a_100102657272_100000692595 [0,1,0,0,0,1|2,0,0]=4 1143 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 240690a_100102657272_100000692595 [0,1,0,0,0,1|2,0,0]=4 1144 B12R1.354 CNC(=O)c1cc(ccc1C)Cl 527a_100102657272_100000692595 [0,1,0,0,0,1|2,0,0]=4 1145 B12R1.354 CNC(=O)c1cc(ccc1C)F 11a_106832991635_100000240043 [0,1,0,0,0,1|2,0,0]=4 1146 B12R1.354 CNC(=O)c1cc(ccc1C)F 1626a_100102657272_100000240043 [0,1,0,0,0,1|2,0,0]=4 1147 B12R1.354 CNC(=O)c1cc(ccc1C)F 240690a_100102657272_100000240043 [0,1,0,0,0,1|2,0,0]=4 1148 B12R1.354 CNC(=O)c1cc(ccc1C)F 527a_100102657272_100000240043 [0,1,0,0,0,1|2,0,0]=4 1149 B12R1.354 CNC(=O)c1cc(ccc1C)I 11a_106832991635_100000688012 [0,1,0,0,0,1|2,0,0]=4 1150 B12R1.354 CNC(=O)c1cc(ccc1C)I 1626a_100102657272_100000688012 [0,1,0,0,0,1|2,0,0]=4 1151 B12R1.354 CNC(=O)c1cc(ccc1C)I 240690a_100102657272_100000688012 [0,1,0,0,0,1|2,0,0]=4 1152 B12R1.354 CNC(=O)c1cc(ccc1C)I 527a_100102657272_100000688012 [0,1,0,0,0,1|2,0,0]=4 1153 B12R1.354 CNC(=O)c1cc(ccc1C)O 240690a_100102657272_100000687834 [0,1,0,0,0,1|2,0,0]=4 1154 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,1,0,0,0,1|2,0,0]=4 1155 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,1,0,0,0,1|2,0,0]=4 1156 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,1,0,0,0,1|2,0,0]=4 1157 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,1,0,0,0,1|2,0,0]=4 1158 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,1,0,0,0,1|2,0,0]=4 1159 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,1,0,0,0,1|2,0,0]=4 1160 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,1,0,0,0,1|2,0,0]=4 1161 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,1,0,0,0,1|2,0,0]=4 1162 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,1,0,0,0,1|2,0,0]=4 1163 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,1,0,0,0,1|2,0,0]=4 1164 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,1,0,0,0,1|2,0,0]=4 1165 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,1,0,0,0,1|2,0,0]=4 1166 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,1,0,0,0,1|2,0,0]=4 1167 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,1,0,0,0,1|2,0,0]=4 1168 B12R1.354 COC(=O)c1cc(ccc1C)O 271570a_203496583355_100012360116 [0,1,0,0,0,1|2,0,0]=4 1169 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,1,0,0,0,1|2,0,0]=4 1170 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [0,1,0,0,0,1|2,0,0]=4 1171 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,1,0,0,0,1|2,0,0]=4 1172 B12R1.354 COC(=O)c1cc(ncc1C)O 271570a_203496583355_100009858526 [0,1,0,0,0,1|2,0,0]=4 1173 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Br 1458a_100000689033_100015361967 [0,1,0,0,0,1|2,0,0]=4 1174 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,1,0,0,0,1|1,0,0]=3 1175 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100011290873_100015361967 [0,1,0,0,0,1|2,0,0]=4 1176 B12R1.354 Cc1ccc(c(c1)C(=O)CF)F 1458a_100000749327_100015361967 [0,1,0,0,0,1|2,0,0]=4 1177 B12R1.354 Cc1ccc(c(c1)C(=O)CF)I 1458a_100000057929_100015361967 [0,1,0,0,0,1|2,0,0]=4 1178 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,1,0,0,0,1|2,0,0]=4 1179 B12R1.354 Cc1ccc(cc1C(=O)CF)Br 1458a_100000759961_100015361967 [0,1,0,0,0,1|2,0,0]=4 1180 B12R1.354 Cc1ccc(cc1C(=O)CF)Cl 1458a_100000692595_100015361967 [0,1,0,0,0,1|2,0,0]=4 1181 B12R1.354 Cc1ccc(cc1C(=O)CF)F 1458a_100000240043_100015361967 [0,1,0,0,0,1|2,0,0]=4 1182 B12R1.354 Cc1ccc(cc1C(=O)CF)I 1458a_100000688012_100015361967 [0,1,0,0,0,1|2,0,0]=4 1183 B12R1.354 Cc1ccc(cc1C(=O)CF)O 1458a_100000687834_100015361967 [0,1,0,0,0,1|2,0,0]=4 1184 B12R1.453 C=C(C)c1cc(ccc1C)CO 271570a_100000694244_100000050133 [0,1,0,0,0,1|2,0,0]=4 1185 B12R1.453 C=C(C)c1cc(ccc1C)NC 271570a_100000694244_100000707694 [0,1,0,0,0,1|2,0,0]=4 1186 B12R1.453 C=C(C)c1cc(ccc1C)OC 271570a_100000694244_100012349166 [0,1,0,0,0,1|2,0,0]=4 1187 B12R1.453 C=C(C)c1cc(ncc1C)CO 271570a_100000694244_100010113723 [0,1,0,0,0,1|2,0,0]=4 1188 B12R1.453 C=C(C)c1cc(ncc1C)OC 271570a_100000694244_100010068546 [0,1,0,0,0,1|2,0,0]=4 1189 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)C 271570a_100011290941_100012706819 [0,1,0,0,0,1|1,0,1]=4 1190 B12R1.453 C=Cc1cnc(c(c1)C(=O)C)C 271570a_100011290941_100138557192 [0,1,0,0,0,1|1,0,1]=4 1191 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [0,1,0,0,0,1|2,0,0]=4 1192 B12R1.453 CC(=O)c1cc(ccc1C)C#N 1458a_200012187059_200000210301 [0,1,0,0,0,1|1,0,1]=4 1193 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,1,0,0,0,1|1,0,0]=3 1194 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,1,0,0,0,1|2,0,0]=4 1195 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,1,0,0,0,1|2,0,0]=4 1196 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [0,1,0,0,0,1|2,0,0]=4 1197 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,1,0,0,0,1|2,0,0]=4 1198 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,1,0,0,0,1|2,0,0]=4 1199 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [0,1,0,0,0,1|2,0,0]=4 1200 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [0,1,0,0,0,1|2,0,0]=4 1201 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [0,1,0,0,0,1|2,0,0]=4 1202 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,1,0,0,0,1|2,0,0]=4 1203 B12R1.453 CC(=O)c1cc(cnc1C)S[13CH3] 62a_100138557192_200025704644 [0,1,0,0,0,1|1,0,0]=3 1204 B12R1.453 CC(=O)c1cc(cnc1C)S[13CH3] 62a_200025704644_100138557192 [0,1,0,0,0,1|1,0,0]=3 1205 B12R1.453 CC(=O)c1cc(cnc1F)S[13CH3] 62a_100010254234_200025704644 [0,1,0,0,0,1|2,0,0]=4 1206 B12R1.453 CC(=O)c1cc(cnc1F)S[13CH3] 62a_200025704644_100010254234 [0,1,0,0,0,1|2,0,0]=4 1207 B12R1.453 CC(=O)c1cc(cnc1N)S[13CH3] 62a_100010173950_200025704644 [0,1,0,0,0,1|2,0,0]=4 1208 B12R1.453 CC(=O)c1cc(cnc1N)S[13CH3] 62a_200025704644_100010173950 [0,1,0,0,0,1|2,0,0]=4 1209 B12R1.453 CC(=O)c1cc(ncc1F)S[13CH3] 62a_100000697832_200025704644 [0,1,0,0,0,1|2,0,0]=4 1210 B12R1.453 CC(=O)c1cc(ncc1F)S[13CH3] 62a_200025704644_100000697832 [0,1,0,0,0,1|2,0,0]=4 1211 B12R1.453 CC(=O)c1nc(ncc1C)S[13CH3] 62a_100010687370_200025704644 [0,1,0,0,0,1|2,0,0]=4 1212 B12R1.453 CC(=O)c1nc(ncc1C)S[13CH3] 62a_200025704644_100010687370 [0,1,0,0,0,1|2,0,0]=4 1213 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,1,0,0,0,1|2,0,0]=4 1214 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,1,0,0,0,1|2,0,0]=4 1215 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 34a_100000750465_200000210301 [0,1,0,0,0,1|2,0,0]=4 1216 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 7a_100000750465_200000210301 [0,1,0,0,0,1|2,0,0]=4 1217 B12R1.453 CNc1ncc(c(n1)C(=O)C)C 27a_100102657272_100010687370 [0,1,0,0,0,1|2,0,0]=4 1218 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,1,0,0,0,1|2,0,0]=4 1219 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,1,0,0,0,1|1,0,0]=3 1220 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,1,0,0,0,1|2,0,0]=4 1221 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,1,0,0,0,1|2,0,0]=4 1222 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,1,0,0,0,1|2,0,0]=4 1223 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,1,0,0,0,1|2,0,0]=4 1224 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,1,0,0,0,1|2,0,0]=4 1225 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,1,0,0,0,1|2,0,0]=4 1226 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,1,0,0,0,1|2,0,0]=4 1227 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,1,0,0,0,1|2,0,0]=4 1228 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,1,0,0,0,1|2,0,0]=4 1229 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,1,0,0,0,1|2,0,0]=4 1230 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,1,0,0,0,1|1,0,0]=3 1231 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,1,0,0,0,1|2,0,0]=4 1232 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,1,0,0,0,1|2,0,0]=4 1233 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,1,0,0,0,1|2,0,0]=4 1234 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,1,0,0,0,1|2,0,0]=4 1235 B12R1.453 CSc1cc(c(cn1)F)C(=O)C 62a_100000697832_200000210301 [0,1,0,0,0,1|2,0,0]=4 1236 B12R1.453 CSc1cc(c(cn1)F)C(=O)C 62a_200000210301_100000697832 [0,1,0,0,0,1|2,0,0]=4 1237 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,1,0,0,0,1|1,0,0]=3 1238 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [0,1,0,0,0,1|2,0,0]=4 1239 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [0,1,0,0,0,1|2,0,0]=4 1240 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [0,1,0,0,0,1|2,0,0]=4 1241 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [0,1,0,0,0,1|2,0,0]=4 1242 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [0,1,0,0,0,1|2,0,0]=4 1243 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [0,1,0,0,0,1|2,0,0]=4 1244 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_100012257281_200000210301 [0,1,0,0,0,1|2,0,0]=4 1245 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_200000210301_100012257281 [0,1,0,0,0,1|2,0,0]=4 1246 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [0,1,0,0,0,1|2,0,0]=4 1247 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [0,1,0,0,0,1|2,0,0]=4 1248 B12R1.453 CSc1cnc(c(c1)C(=O)C)C 62a_100138557192_200000210301 [0,1,0,0,0,1|1,0,0]=3 1249 B12R1.453 CSc1cnc(c(c1)C(=O)C)C 62a_200000210301_100138557192 [0,1,0,0,0,1|1,0,0]=3 1250 B12R1.453 CSc1cnc(c(c1)C(=O)C)F 62a_100010254234_200000210301 [0,1,0,0,0,1|2,0,0]=4 1251 B12R1.453 CSc1cnc(c(c1)C(=O)C)F 62a_200000210301_100010254234 [0,1,0,0,0,1|2,0,0]=4 1252 B12R1.453 CSc1cnc(c(c1)C(=O)C)N 62a_100010173950_200000210301 [0,1,0,0,0,1|2,0,0]=4 1253 B12R1.453 CSc1cnc(c(c1)C(=O)C)N 62a_200000210301_100010173950 [0,1,0,0,0,1|2,0,0]=4 1254 B12R1.453 CSc1ncc(c(n1)C(=O)C)C 62a_100010687370_200000210301 [0,1,0,0,0,1|2,0,0]=4 1255 B12R1.453 CSc1ncc(c(n1)C(=O)C)C 62a_200000210301_100010687370 [0,1,0,0,0,1|2,0,0]=4 1256 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 34a_100000750465_200025704644 [0,1,0,0,0,1|2,0,0]=4 1257 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 7a_100000750465_200025704644 [0,1,0,0,0,1|2,0,0]=4 1258 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_100012257281_200025704644 [0,1,0,0,0,1|2,0,0]=4 1259 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_200025704644_100012257281 [0,1,0,0,0,1|2,0,0]=4 1260 B12R1.453 Cc1ccc(cc1C(=O)[13CH3])C#N 1458a_200012187059_200025704644 [0,1,0,0,0,1|1,0,1]=4 1261 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [0,1,0,0,0,1|2,0,0]=4 1262 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,1,0,0,0,1|2,0,0]=4 1263 B12R1.894 CC(=O)c1c(ccc(c1Br)C)F 1458a_100000720849_200000210301 [0,1,0,0,0,1|2,0,0]=4 1264 B12R1.894 CC(=O)c1c(ccc(c1C)Br)C 1458a_100012355652_200000210301 [0,1,0,0,0,1|2,0,0]=4 1265 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)Br 1458a_200010769262_200000210301 [0,1,0,0,0,1|2,0,0]=4 1266 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)F 1458a_100000036856_200000210301 [0,1,0,0,0,1|2,0,0]=4 1267 B12R1.894 CC(=O)c1c(ccc(c1F)C)Br 1458a_100010271678_200000210301 [0,1,0,0,0,1|2,0,0]=4 1268 B12R1.894 CC(=O)c1c(ccc(c1F)C)Cl 1458a_100000039063_200000210301 [0,1,0,0,0,1|2,0,0]=4 1269 B12R1.894 CC(=O)c1c(ccc(c1F)C)F 1458a_100000692215_200000210301 [0,1,0,0,0,1|2,0,0]=4 1270 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [0,1,0,0,0,1|1,0,0]=3 1271 B12R1.894 Cc1ccc(c(c1Br)C(=O)[13CH3])F 1458a_100000720849_200025704644 [0,1,0,0,0,1|2,0,0]=4 1272 B12R1.894 Cc1ccc(c(c1C(=O)[13CH3])C)Br 1458a_100012355652_200025704644 [0,1,0,0,0,1|2,0,0]=4 1273 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])Br 1458a_200010769262_200025704644 [0,1,0,0,0,1|2,0,0]=4 1274 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000036856_200025704644 [0,1,0,0,0,1|2,0,0]=4 1275 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010271678_200025704644 [0,1,0,0,0,1|2,0,0]=4 1276 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000039063_200025704644 [0,1,0,0,0,1|2,0,0]=4 1277 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000692215_200025704644 [0,1,0,0,0,1|2,0,0]=4 1278 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [0,1,0,0,0,1|1,0,0]=3 1279 B12R1.532 CCC(=O)Cc1cc(nn1C)C 1458a_100000210414_100025716357 [0,1,0,0,0,1|2,0,0]=4 1280 B12R1.532 CCC(=O)Cc1cc(nn1C)C 1458a_100132302298_100000210202 [0,1,0,0,0,1|2,0,0]=4 1281 B12R1.532 CCC(=O)Cc1cn(nc1C)C 1458a_100000210414_100015186178 [0,1,0,0,0,1|2,0,0]=4 1282 B12R1.532 CCC(=O)Cc1nc(sc1C)C 1458a_100000040699_100000210202 [0,1,0,0,0,1|1,1,0]=4 1283 B12R1.532 CCC(=O)Cc1oc(=O)oc1C 1458a_100000210414_100000068490 [0,1,0,0,0,1|2,0,0]=4 1284 B12R1.532 CCC(=O)Cc1sc(nc1C)C 1458a_100000210414_100000760948 [0,1,0,0,0,1|2,0,0]=4 1285 B12R1.532 CCC(=O)Cc1sc(nc1C)C 1458a_100025788167_100000210202 [0,1,0,0,0,1|2,0,0]=4 1286 B12R1.532 CNC(=O)Cc1cc(nn1C)C 11a_106832991635_100132302298 [0,1,0,0,0,1|2,0,0]=4 1287 B12R1.532 CNC(=O)Cc1cc(nn1C)C 1626a_100102657272_100132302298 [0,1,0,0,0,1|2,0,0]=4 1288 B12R1.532 CNC(=O)Cc1cc(nn1C)C 240690a_100102657272_100132302298 [0,1,0,0,0,1|2,0,0]=4 1289 B12R1.532 CNC(=O)Cc1cc(nn1C)C 527a_100102657272_100132302298 [0,1,0,0,0,1|2,0,0]=4 1290 B12R1.532 CNC(=O)Cc1nc(sc1C)C 11a_106832991635_100000040699 [0,1,0,0,0,1|1,1,0]=4 1291 B12R1.532 CNC(=O)Cc1nc(sc1C)C 1626a_100102657272_100000040699 [0,1,0,0,0,1|1,1,0]=4 1292 B12R1.532 CNC(=O)Cc1nc(sc1C)C 240690a_100102657272_100000040699 [0,1,0,0,0,1|1,1,0]=4 1293 B12R1.532 CNC(=O)Cc1nc(sc1C)C 527a_100102657272_100000040699 [0,1,0,0,0,1|1,1,0]=4 1294 B12R1.532 CNC(=O)Cc1sc(nc1C)C 11a_106832991635_100025788167 [0,1,0,0,0,1|2,0,0]=4 1295 B12R1.532 CNC(=O)Cc1sc(nc1C)C 1626a_100102657272_100025788167 [0,1,0,0,0,1|2,0,0]=4 1296 B12R1.532 CNC(=O)Cc1sc(nc1C)C 240690a_100102657272_100025788167 [0,1,0,0,0,1|2,0,0]=4 1297 B12R1.532 CNC(=O)Cc1sc(nc1C)C 527a_100102657272_100025788167 [0,1,0,0,0,1|2,0,0]=4 1298 B12R1.532 Cc1cc(n(n1)C)CC(=O)CF 1458a_100132302298_100015361967 [0,1,0,0,0,1|2,0,0]=4 1299 B12R1.532 Cc1cc(n(n1)C)CC(=O)CO 1458a_100000210174_100025716357 [0,1,0,0,0,1|2,0,0]=4 1300 B12R1.532 Cc1nc(c(s1)C)CC(=O)CF 1458a_100000040699_100015361967 [0,1,0,0,0,1|1,1,0]=4 1301 B12R1.532 Cc1nc(c(s1)CC(=O)CF)C 1458a_100025788167_100015361967 [0,1,0,0,0,1|2,0,0]=4 1302 B12R1.532 Cc1nc(c(s1)CC(=O)CO)C 1458a_100000210174_100000760948 [0,1,0,0,0,1|2,0,0]=4 1303 B12R1.532 Cc1nn(cc1CC(=O)CO)C 1458a_100000210174_100015186178 [0,1,0,0,0,1|2,0,0]=4 1304 B12R1.532 Cc1oc(=O)oc1CC(=O)CO 1458a_100000210174_100000068490 [0,1,0,0,0,1|2,0,0]=4 1305 B12R1.854 CC(=O)Cc1c(nn(c1C)C)C 1458a_100000240056_200000210301 [0,1,0,0,0,1|2,0,0]=4 1306 B12R1.854 Cc1nn(c(c1CC(=O)[13CH3])C)C 1458a_100000240056_200025704644 [0,1,0,0,0,1|2,0,0]=4 1307 B12R1.864 CC(=C(C)c1cc(sc1C)C)C 271570a_200000049429_100000688054 [0,1,0,0,0,1|1,1,0]=4 1308 B12R1.1852 CC(=Cc1cc(sc1C)CO)C 271570a_100102525489_100013897464 [0,1,0,0,0,1|1,1,0]=4 1309 B12R1.276 CC(=O)c1cc(nn1CCF)C 1458a_100010872361_200000210301 [0,2,0,0,0,0|2,0,0]=4 1310 B12R1.276 Cc1cc(n(n1)CCF)C(=O)[13CH3] 1458a_100010872361_200025704644 [0,2,0,0,0,0|2,0,0]=4 1311 B12R1.850 CC(=O)c1cn(nc1C(F)F)C 1458a_100000692746_200000210301 [0,2,0,0,0,0|2,0,0]=4 1312 B12R1.850 Cn1cc(c(n1)C(F)F)C(=O)[13CH3] 1458a_100000692746_200025704644 [0,2,0,0,0,0|2,0,0]=4 1313 B12R1.1926 C=Cc1sc(cc1C(=O)OC)C 271570a_100011290941_100009817063 [0,2,0,0,0,0|0,1,1]=4 1314 B12R1.1926 COC(=O)c1cc(sc1SC)C 62a_100009817063_200000210301 [0,2,0,0,0,0|0,1,0]=3 1315 B12R1.1926 COC(=O)c1cc(sc1SC)C 62a_200000210301_100009817063 [0,2,0,0,0,0|0,1,0]=3 1316 B12R1.1926 COC(=O)c1cc(sc1S[13CH3])C 62a_100009817063_200025704644 [0,2,0,0,0,0|0,1,0]=3 1317 B12R1.1926 COC(=O)c1cc(sc1S[13CH3])C 62a_200025704644_100009817063 [0,2,0,0,0,0|0,1,0]=3 1318 B12R1.1926 COC(=O)c1nc(sc1SC)C 62a_100000730370_200000210301 [0,2,0,0,0,0|1,1,0]=4 1319 B12R1.1926 COC(=O)c1nc(sc1SC)C 62a_200000210301_100000730370 [0,2,0,0,0,0|1,1,0]=4 1320 B12R1.1926 COC(=O)c1nc(sc1S[13CH3])C 62a_100000730370_200025704644 [0,2,0,0,0,0|1,1,0]=4 1321 B12R1.1926 COC(=O)c1nc(sc1S[13CH3])C 62a_200025704644_100000730370 [0,2,0,0,0,0|1,1,0]=4 1322 B12R1.1926 COC(=O)c1sc(cc1OC)C 34a_100000011496_200000210301 [0,2,0,0,0,0|2,0,0]=4 1323 B12R1.1926 COC(=O)c1sc(cc1OC)C 7a_100000011496_200000210301 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.1926 COC(=O)c1sc(cc1O[13CH3])C 34a_100000011496_200025704644 [0,2,0,0,0,0|2,0,0]=4 1325 B12R1.1926 COC(=O)c1sc(cc1O[13CH3])C 7a_100000011496_200025704644 [0,2,0,0,0,0|2,0,0]=4 1326 B12R1.1926 COC(=O)c1sc(cc1SC)C 62a_100009817204_200000210301 [0,2,0,0,0,0|2,0,0]=4 1327 B12R1.1926 COC(=O)c1sc(cc1SC)C 62a_200000210301_100009817204 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.1926 COC(=O)c1sc(cc1S[13CH3])C 62a_100009817204_200025704644 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.1926 COC(=O)c1sc(cc1S[13CH3])C 62a_200025704644_100009817204 [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.111 C=C(C)c1nc(c(s1)C(=O)C)C 271570a_100000694244_100010106820 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.111 CC(=O)c1cc(nn1C)C(F)F 1458a_100000097440_200000210301 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.111 CC(=O)c1sc(nc1C)N(C)C 27a_100102631434_100010106820 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.111 Cn1nc(cc1C(=O)[13CH3])C(F)F 1458a_100000097440_200025704644 [0,2,0,0,0,0|2,0,0]=4 1334 B12R1.277 CC(=O)c1sc(nc1C)SCF 62a_100010106820_100015361967 [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.277 CC(=O)c1sc(nc1C)SCF 62a_100015361967_100010106820 [0,2,0,0,0,0|2,0,0]=4 1336 B12R1.277 CC=Cc1nc(c(s1)C(=O)C)C 271570a_100016259895_100010106820 [0,2,0,0,0,0|2,0,0]=4 1337 B12R1.277 CCNc1nc(c(s1)C(=O)C)C 27a_100015525214_100010106820 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.277 CCSc1nc(c(s1)C(=O)C)C 62a_100000210202_100010106820 [0,2,0,0,0,0|2,0,0]=4 1339 B12R1.277 CCSc1nc(c(s1)C(=O)C)C 62a_100010106820_100000210202 [0,2,0,0,0,0|2,0,0]=4 1340 B12R1.608 C=Cc1cc(c(s1)C)C(=O)OC 271570a_100011290941_100010187159 [0,2,0,0,0,0|0,1,1]=4 1341 B12R1.608 CNc1nc(c(s1)C(=O)OC)C 27a_100102657272_100010220626 [0,2,0,0,0,0|2,0,0]=4 1342 B12R1.608 COC(=O)c1cc(cn1C)SC 62a_100000240937_200000210301 [0,2,0,0,0,0|2,0,0]=4 1343 B12R1.608 COC(=O)c1cc(cn1C)SC 62a_200000210301_100000240937 [0,2,0,0,0,0|2,0,0]=4 1344 B12R1.608 COC(=O)c1cc(cn1C)S[13CH3] 62a_100000240937_200025704644 [0,2,0,0,0,0|2,0,0]=4 1345 B12R1.608 COC(=O)c1cc(cn1C)S[13CH3] 62a_200025704644_100000240937 [0,2,0,0,0,0|2,0,0]=4 1346 B12R1.608 COC(=O)c1cc(nn1C)SC 62a_100014069049_200000210301 [0,2,0,0,0,0|2,0,0]=4 1347 B12R1.608 COC(=O)c1cc(nn1C)SC 62a_200000210301_100014069049 [0,2,0,0,0,0|2,0,0]=4 1348 B12R1.608 COC(=O)c1cc(nn1C)S[13CH3] 62a_100014069049_200025704644 [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.608 COC(=O)c1cc(nn1C)S[13CH3] 62a_200025704644_100014069049 [0,2,0,0,0,0|2,0,0]=4 1350 B12R1.608 COC(=O)c1cc(sc1C)SC 62a_100010187159_200000210301 [0,2,0,0,0,0|0,1,0]=3 1351 B12R1.608 COC(=O)c1cc(sc1C)SC 62a_200000210301_100010187159 [0,2,0,0,0,0|0,1,0]=3 1352 B12R1.608 COC(=O)c1cc(sc1C)S[13CH3] 62a_100010187159_200025704644 [0,2,0,0,0,0|0,1,0]=3 1353 B12R1.608 COC(=O)c1cc(sc1C)S[13CH3] 62a_200025704644_100010187159 [0,2,0,0,0,0|0,1,0]=3 1354 B12R1.608 COC(=O)c1nc(sc1C)SC 62a_100000719214_200000210301 [0,2,0,0,0,0|1,1,0]=4 1355 B12R1.608 COC(=O)c1nc(sc1C)SC 62a_200000210301_100000719214 [0,2,0,0,0,0|1,1,0]=4 1356 B12R1.608 COC(=O)c1nc(sc1C)S[13CH3] 62a_100000719214_200025704644 [0,2,0,0,0,0|1,1,0]=4 1357 B12R1.608 COC(=O)c1nc(sc1C)S[13CH3] 62a_200025704644_100000719214 [0,2,0,0,0,0|1,1,0]=4 1358 B12R1.608 COC(=O)c1oc(cc1C)SC 62a_200000210301_100000737583 [0,2,0,0,0,0|2,0,0]=4 1359 B12R1.608 COC(=O)c1oc(cc1C)S[13CH3] 62a_200025704644_100000737583 [0,2,0,0,0,0|2,0,0]=4 1360 B12R1.608 COC(=O)c1sc(nc1C)SC 62a_100010220626_200000210301 [0,2,0,0,0,0|2,0,0]=4 1361 B12R1.608 COC(=O)c1sc(nc1C)SC 62a_200000210301_100010220626 [0,2,0,0,0,0|2,0,0]=4 1362 B12R1.608 COC(=O)c1sc(nc1C)S[13CH3] 62a_100010220626_200025704644 [0,2,0,0,0,0|2,0,0]=4 1363 B12R1.608 COC(=O)c1sc(nc1C)S[13CH3] 62a_200025704644_100010220626 [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.201 CNS(=O)(=O)c1cc(sc1C)C 270084a_100102657272_100000217628 [0,2,0,0,0,0|1,1,0]=4 1365 B12R1.201 CNS(=O)(=O)c1cc(sc1C)C 274078a_100102657272_100000217628 [0,2,0,0,0,0|1,1,0]=4 1366 B12R1.313 CCNC(C)c1cc(oc1C)C 269862a_100015525214_100000211562 [0,2,0,0,0,0|1,0,1]=4 1367 B12R1.313 CNCC(=O)c1cc(nn1C)C 34a_100102657272_100012354424 [0,2,0,0,0,0|2,0,0]=4 1368 B12R1.313 CNCC(=O)c1cc(nn1C)C 7a_106832991635_100012354424 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.313 CNCC(=O)c1cc(sc1C)C 2230a_106832991635_100000199015 [0,2,0,0,0,0|0,1,0]=3 1370 B12R1.313 CNCC(=O)c1cc(sc1C)C 34a_100102657272_100000199015 [0,2,0,0,0,0|0,1,0]=3 1371 B12R1.313 CNCC(=O)c1cc(sc1C)C 7a_106832991635_100000199015 [0,2,0,0,0,0|0,1,0]=3 1372 B12R1.313 COCC(=O)c1cc(nn1C)C 34a_100138415774_100012354424 [0,2,0,0,0,0|2,0,0]=4 1373 B12R1.313 COCC(=O)c1cc(sc1C)C 34a_100138415774_100000199015 [0,2,0,0,0,0|0,1,0]=3 1374 B12R1.313 CSCC(=O)c1cc(nn1C)C 62a_100012354424_200000210301 [0,2,0,0,0,0|2,0,0]=4 1375 B12R1.313 CSCC(=O)c1cc(nn1C)C 62a_200000210301_100012354424 [0,2,0,0,0,0|2,0,0]=4 1376 B12R1.313 CSCC(=O)c1cc(sc1C)C 62a_100000199015_200000210301 [0,2,0,0,0,0|0,1,0]=3 1377 B12R1.313 CSCC(=O)c1cc(sc1C)C 62a_200000210301_100000199015 [0,2,0,0,0,0|0,1,0]=3 1378 B12R1.313 Cc1cc(c(s1)C)C(=O)CS[13CH3] 62a_100000199015_200025704644 [0,2,0,0,0,0|0,1,0]=3 1379 B12R1.313 Cc1cc(c(s1)C)C(=O)CS[13CH3] 62a_200025704644_100000199015 [0,2,0,0,0,0|0,1,0]=3 1380 B12R1.313 Cc1cc(n(n1)C)C(=O)CS[13CH3] 62a_100012354424_200025704644 [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.313 Cc1cc(n(n1)C)C(=O)CS[13CH3] 62a_200025704644_100012354424 [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.3443 COC(=O)c1c(c(nn1C)C)O 271570a_203496583355_100009815405 [0,2,0,0,0,0|2,0,0]=4 1383 B10R1.61 CC(=O)C1=C(OCCO1)C 1458a_100000068647_200000210301 [0,0,1,1,0,0|1,0,1]=4 1384 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,1,1,0,0|1,0,1]=4 1385 B10R1.61 CC1=C(OCCO1)C(=O)[13CH3] 1458a_100000068647_200025704644 [0,0,1,1,0,0|1,0,1]=4 1386 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,1,1,0,0|1,0,1]=4 1387 B10R1.187 CC=Cc1c([nH][nH]c1=O)C 271570a_100016259895_100000686169 [0,0,1,1,0,0|2,0,0]=4 1388 B10R1.187 CC=Cc1c(n[nH]c1C)C 271570a_100016259895_100000238710 [0,0,1,1,0,0|2,0,0]=4 1389 B10R1.187 CC=Cc1c(noc1C)C 271570a_100016259895_100000694658 [0,0,1,1,0,0|1,0,0]=3 1390 B10R1.187 CC=Cc1c(noc1C)N 271570a_100016259895_100011216220 [0,0,1,1,0,0|2,0,0]=4 1391 B10R1.187 CC=Cc1c(noc1C)O 271570a_100016259895_100010730664 [0,0,1,1,0,0|1,0,1]=4 1392 B10R1.187 CC=Cc1c(noc1N)C 271570a_100016259895_100000754107 [0,0,1,1,0,0|2,0,0]=4 1393 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,1,1,0,0|1,0,1]=4 1394 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,1,1,0,0|0,0,2]=4 1395 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,1,1,0,0|0,0,2]=4 1396 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,0,1,1,0,0|1,0,1]=4 1397 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,0,1,1,0,0|1,0,1]=4 1398 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,1,1,0,0|1,0,1]=4 1399 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,1,1,0,0|0,0,2]=4 1400 B10R1.66 CC(=O)C=CC1=CCCC1 1458a_100016262312_200000210301 [0,0,1,1,0,0|1,0,1]=4 1401 B10R1.66 [13CH3]C(=O)C=CC1=CCCC1 1458a_100016262312_200025704644 [0,0,1,1,0,0|1,0,1]=4 1402 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,0,0,1,0,1|2,0,0]=4 1403 B12R2.132 O=C1CCc2c1cc(cc2)O 271570a_203496583355_100000759401 [0,0,0,1,0,1|2,0,0]=4 1404 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,0,0,1,0,1|2,0,0]=4 1405 B12R2.202 O=C1NCCc2c1cc([nH]2)O 271570a_203496583355_100015781870 [0,1,0,1,0,0|2,0,0]=4 1406 B12R2.202 O=C1NCCc2c1cc(s2)O 271570a_203496583355_100010243879 [0,1,0,1,0,0|1,1,0]=4 1407 B10R1.8 C=Cc1cc(cc(c1)C)C 271570a_100011290941_100011215608 [1,0,0,0,0,1|1,0,1]=4 1408 B10R1.8 C=Cc1cc(cc(n1)C)C 271570a_100011290941_100000069240 [1,0,0,0,0,1|1,0,1]=4 1409 B10R1.8 C=Cc1cc(nc(c1)C)C 271570a_100011290941_100009816552 [1,0,0,0,0,1|1,0,1]=4 1410 B10R1.8 C=Cc1cc(nc(n1)C)C 271570a_100011290941_100000736142 [1,0,0,0,0,1|1,0,1]=4 1411 B10R1.8 CNc1cc(cc(c1)C)C 2230a_100000210930_200000210301 [1,0,0,0,0,1|2,0,0]=4 1412 B10R1.8 CNc1cc(cc(c1)C)C 34a_100000210930_200000210301 [1,0,0,0,0,1|2,0,0]=4 1413 B10R1.8 CNc1cc(cc(c1)C)C 7a_100000210930_200000210301 [1,0,0,0,0,1|2,0,0]=4 1414 B10R1.8 CNc1cc(cc(n1)C)C 27a_100102657272_100000069240 [1,0,0,0,0,1|2,0,0]=4 1415 B10R1.8 CNc1cc(nc(c1)C)C 27a_100102657272_100000066820 [1,0,0,0,0,1|2,0,0]=4 1416 B10R1.8 CNc1cc(nc(n1)C)C 27a_100102657272_100000736142 [1,0,0,0,0,1|2,0,0]=4 1417 B10R1.8 COc1cc(cc(c1)C)C 34a_100000210933_200000210301 [1,0,0,0,0,1|2,0,0]=4 1418 B10R1.8 COc1cc(cc(c1)C)C 7a_100000210933_200000210301 [1,0,0,0,0,1|2,0,0]=4 1419 B10R1.8 COc1cc(oc(=O)c1)C 34a_100000210952_200000210301 [1,0,0,0,0,1|2,0,0]=4 1420 B10R1.8 COc1cc(oc(=O)c1)C 7a_100000210952_200000210301 [1,0,0,0,0,1|2,0,0]=4 1421 B10R1.8 CSc1cc(cc(c1)C)C 62a_100011215608_200000210301 [1,0,0,0,0,1|2,0,0]=4 1422 B10R1.8 CSc1cc(cc(c1)C)C 62a_200000210301_100011215608 [1,0,0,0,0,1|2,0,0]=4 1423 B10R1.8 CSc1cc(cc(n1)C)C 62a_100000069240_200000210301 [1,0,0,0,0,1|2,0,0]=4 1424 B10R1.8 CSc1cc(cc(n1)C)C 62a_200000210301_100000069240 [1,0,0,0,0,1|2,0,0]=4 1425 B10R1.8 CSc1cc(nc(c1)C)C 62a_100000066820_200000210301 [1,0,0,0,0,1|2,0,0]=4 1426 B10R1.8 CSc1cc(nc(c1)C)C 62a_200000210301_100000066820 [1,0,0,0,0,1|2,0,0]=4 1427 B10R1.8 CSc1cc(nc(n1)C)C 62a_100000736142_200000210301 [1,0,0,0,0,1|2,0,0]=4 1428 B10R1.8 CSc1cc(nc(n1)C)C 62a_200000210301_100000736142 [1,0,0,0,0,1|2,0,0]=4 1429 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 34a_100000210952_200025704644 [1,0,0,0,0,1|2,0,0]=4 1430 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 7a_100000210952_200025704644 [1,0,0,0,0,1|2,0,0]=4 1431 B10R1.8 Cc1cc(cc(c1)C=O)O 271570a_203496583355_100000686105 [1,0,0,0,0,1|2,0,0]=4 1432 B10R1.8 Cc1cc(cc(c1)N[13CH3])C 2230a_100000210930_200025704644 [1,0,0,0,0,1|2,0,0]=4 1433 B10R1.8 Cc1cc(cc(c1)N[13CH3])C 34a_100000210930_200025704644 [1,0,0,0,0,1|2,0,0]=4 1434 B10R1.8 Cc1cc(cc(c1)N[13CH3])C 7a_100000210930_200025704644 [1,0,0,0,0,1|2,0,0]=4 1435 B10R1.8 Cc1cc(cc(c1)O[13CH3])C 34a_100000210933_200025704644 [1,0,0,0,0,1|2,0,0]=4 1436 B10R1.8 Cc1cc(cc(c1)O[13CH3])C 7a_100000210933_200025704644 [1,0,0,0,0,1|2,0,0]=4 1437 B10R1.8 Cc1cc(cc(c1)S[13CH3])C 62a_100011215608_200025704644 [1,0,0,0,0,1|2,0,0]=4 1438 B10R1.8 Cc1cc(cc(c1)S[13CH3])C 62a_200025704644_100011215608 [1,0,0,0,0,1|2,0,0]=4 1439 B10R1.8 Cc1cc(cc(n1)C)S[13CH3] 62a_100000066820_200025704644 [1,0,0,0,0,1|2,0,0]=4 1440 B10R1.8 Cc1cc(cc(n1)C)S[13CH3] 62a_200025704644_100000066820 [1,0,0,0,0,1|2,0,0]=4 1441 B10R1.8 Cc1cc(cc(n1)C=O)O 271570a_203496583355_100009814795 [1,0,0,0,0,1|2,0,0]=4 1442 B10R1.8 Cc1cc(nc(c1)S[13CH3])C 62a_100000069240_200025704644 [1,0,0,0,0,1|2,0,0]=4 1443 B10R1.8 Cc1cc(nc(c1)S[13CH3])C 62a_200025704644_100000069240 [1,0,0,0,0,1|2,0,0]=4 1444 B10R1.8 Cc1cc(nc(n1)C)S[13CH3] 62a_100000736142_200025704644 [1,0,0,0,0,1|2,0,0]=4 1445 B10R1.8 Cc1cc(nc(n1)C)S[13CH3] 62a_200025704644_100000736142 [1,0,0,0,0,1|2,0,0]=4 1446 B10R1.25 C=Cc1ccc(cc1C)C 271570a_100011290941_100011217332 [1,0,0,0,0,1|1,0,1]=4 1447 B10R1.25 C=Cc1ccc(nc1C)C 271570a_100011290941_100009813853 [1,0,0,0,0,1|1,0,1]=4 1448 B10R1.25 C=Cc1cnc(cc1C)C 271570a_100011290941_100009819613 [1,0,0,0,0,1|1,0,1]=4 1449 B10R1.25 C=Cc1ncc(cc1C)C 271570a_100011290941_100009864548 [1,0,0,0,0,1|1,0,1]=4 1450 B10R1.25 C=Cc1ncc(nc1C)C 271570a_100011290941_100000065684 [1,0,0,0,0,1|1,0,1]=4 1451 B10R1.25 CNc1ccc(cc1C)C 34a_100000736561_200000210301 [1,0,0,0,0,1|2,0,0]=4 1452 B10R1.25 CNc1ccc(cc1C)C 7a_100000736561_200000210301 [1,0,0,0,0,1|2,0,0]=4 1453 B10R1.25 COc1ccc(cc1C)C 34a_100000211776_200000210301 [1,0,0,0,0,1|2,0,0]=4 1454 B10R1.25 COc1ccc(cc1C)C 7a_100000211776_200000210301 [1,0,0,0,0,1|2,0,0]=4 1455 B10R1.25 COc1ccc(nc1C)C 34a_100011218912_200000210301 [1,0,0,0,0,1|2,0,0]=4 1456 B10R1.25 COc1ccc(nc1C)C 7a_100011218912_200000210301 [1,0,0,0,0,1|2,0,0]=4 1457 B10R1.25 COc1cnc(cc1C)C 34a_200000068632_200000210301 [1,0,0,0,0,1|2,0,0]=4 1458 B10R1.25 COc1cnc(cc1C)C 7a_200000068632_200000210301 [1,0,0,0,0,1|2,0,0]=4 1459 B10R1.25 COc1cnc(nc1C)C 34a_100009864123_200000210301 [1,0,0,0,0,1|2,0,0]=4 1460 B10R1.25 COc1cnc(nc1C)C 7a_100009864123_200000210301 [1,0,0,0,0,1|2,0,0]=4 1461 B10R1.25 CSc1ccc(cc1C)C 62a_100011217332_200000210301 [1,0,0,0,0,1|2,0,0]=4 1462 B10R1.25 CSc1ccc(cc1C)C 62a_200000210301_100011217332 [1,0,0,0,0,1|2,0,0]=4 1463 B10R1.25 CSc1ccc(nc1C)C 62a_100009813853_200000210301 [1,0,0,0,0,1|2,0,0]=4 1464 B10R1.25 CSc1ccc(nc1C)C 62a_200000210301_100009813853 [1,0,0,0,0,1|2,0,0]=4 1465 B10R1.25 CSc1cnc(cc1C)C 62a_100009819613_200000210301 [1,0,0,0,0,1|2,0,0]=4 1466 B10R1.25 CSc1cnc(cc1C)C 62a_200000210301_100009819613 [1,0,0,0,0,1|2,0,0]=4 1467 B10R1.25 CSc1ncc(cc1C)C 62a_100009864548_200000210301 [1,0,0,0,0,1|2,0,0]=4 1468 B10R1.25 CSc1ncc(cc1C)C 62a_200000210301_100009864548 [1,0,0,0,0,1|2,0,0]=4 1469 B10R1.25 CSc1ncc(nc1C)C 62a_100000065684_200000210301 [1,0,0,0,0,1|2,0,0]=4 1470 B10R1.25 CSc1ncc(nc1C)C 62a_200000210301_100000065684 [1,0,0,0,0,1|2,0,0]=4 1471 B10R1.25 Cc1cc(c(cn1)O[13CH3])C 34a_200000068632_200025704644 [1,0,0,0,0,1|2,0,0]=4 1472 B10R1.25 Cc1cc(c(cn1)O[13CH3])C 7a_200000068632_200025704644 [1,0,0,0,0,1|2,0,0]=4 1473 B10R1.25 Cc1cc(c(cn1)S[13CH3])C 62a_100009819613_200025704644 [1,0,0,0,0,1|2,0,0]=4 1474 B10R1.25 Cc1cc(c(cn1)S[13CH3])C 62a_200025704644_100009819613 [1,0,0,0,0,1|2,0,0]=4 1475 B10R1.25 Cc1cc(ccc1C=O)O 271570a_203496583355_100000687586 [1,0,0,0,0,1|2,0,0]=4 1476 B10R1.25 Cc1cc(cnc1C=O)O 271570a_203496583355_100010185443 [1,0,0,0,0,1|2,0,0]=4 1477 B10R1.25 Cc1cc(ncc1C=O)O 271570a_203496583355_100000085382 [1,0,0,0,0,1|2,0,0]=4 1478 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 34a_100000736561_200025704644 [1,0,0,0,0,1|2,0,0]=4 1479 B10R1.25 Cc1ccc(c(c1)C)N[13CH3] 7a_100000736561_200025704644 [1,0,0,0,0,1|2,0,0]=4 1480 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 34a_100000211776_200025704644 [1,0,0,0,0,1|2,0,0]=4 1481 B10R1.25 Cc1ccc(c(c1)C)O[13CH3] 7a_100000211776_200025704644 [1,0,0,0,0,1|2,0,0]=4 1482 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_100011217332_200025704644 [1,0,0,0,0,1|2,0,0]=4 1483 B10R1.25 Cc1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011217332 [1,0,0,0,0,1|2,0,0]=4 1484 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,0,0,0,0,1|2,0,0]=4 1485 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 34a_100011218912_200025704644 [1,0,0,0,0,1|2,0,0]=4 1486 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 7a_100011218912_200025704644 [1,0,0,0,0,1|2,0,0]=4 1487 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_100009813853_200025704644 [1,0,0,0,0,1|2,0,0]=4 1488 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100009813853 [1,0,0,0,0,1|2,0,0]=4 1489 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,0,0,0,0,1|2,0,0]=4 1490 B10R1.25 Cc1cnc(c(c1)C)S[13CH3] 62a_100009864548_200025704644 [1,0,0,0,0,1|2,0,0]=4 1491 B10R1.25 Cc1cnc(c(c1)C)S[13CH3] 62a_200025704644_100009864548 [1,0,0,0,0,1|2,0,0]=4 1492 B10R1.25 Cc1cnc(c(n1)C)S[13CH3] 62a_100000065684_200025704644 [1,0,0,0,0,1|2,0,0]=4 1493 B10R1.25 Cc1cnc(c(n1)C)S[13CH3] 62a_200025704644_100000065684 [1,0,0,0,0,1|2,0,0]=4 1494 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,0,0,0,0,1|2,0,0]=4 1495 B10R1.25 Cc1ncc(c(n1)C)O[13CH3] 34a_100009864123_200025704644 [1,0,0,0,0,1|2,0,0]=4 1496 B10R1.25 Cc1ncc(c(n1)C)O[13CH3] 7a_100009864123_200025704644 [1,0,0,0,0,1|2,0,0]=4 1497 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,0,1|2,0,0]=4 1498 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,0,0,0,0,1|2,0,0]=4 1499 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,0,0,0,0,1|2,0,0]=4 1500 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [1,0,0,0,0,1|2,0,0]=4 1501 B10R1.13 C=C(C)c1cnc(nc1)C 271570a_100000694244_100000686985 [1,0,0,0,0,1|2,0,0]=4 1502 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,0,1|2,0,0]=4 1503 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,1|1,0,0]=3 1504 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,0,1|2,0,0]=4 1505 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,0,1|2,0,0]=4 1506 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,0,1|2,0,0]=4 1507 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,1|2,0,0]=4 1508 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,1|2,0,0]=4 1509 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,0,1|2,0,0]=4 1510 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,1|2,0,0]=4 1511 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,0,0,0,0,1|2,0,0]=4 1512 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,0,0,0,0,1|2,0,0]=4 1513 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,1|1,0,0]=3 1514 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,0,1|2,0,0]=4 1515 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,0,1|2,0,0]=4 1516 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,0,1|2,0,0]=4 1517 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,0,1|2,0,0]=4 1518 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,1|2,0,0]=4 1519 B12R1.101 CC(=Cc1cc(cc(c1)C)C)C 271570a_100102525489_100011215608 [0,0,0,0,0,2|2,0,0]=4 1520 B12R1.101 CC(=Cc1cc(cc(n1)C)C)C 271570a_100102525489_100000069240 [0,0,0,0,0,2|2,0,0]=4 1521 B12R1.101 CC(=Cc1cc(nc(c1)C)C)C 271570a_100102525489_100009816552 [0,0,0,0,0,2|2,0,0]=4 1522 B12R1.101 CC(=Cc1cc(nc(n1)C)C)C 271570a_100102525489_100000736142 [0,0,0,0,0,2|2,0,0]=4 1523 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000070787_100012348363 [0,0,0,0,0,2|2,0,0]=4 1524 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100000070787_100000181317 [0,0,0,0,0,2|1,0,0]=3 1525 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_200000210301 [0,0,0,0,0,2|1,0,0]=3 1526 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100000070787_100011219130 [0,0,0,0,0,2|2,0,0]=4 1527 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_200000210301 [0,0,0,0,0,2|2,0,0]=4 1528 B12R1.101 CC(=O)Cc1cc(cc(n1)C)C 1458a_100000070787_100012357514 [0,0,0,0,0,2|1,0,0]=3 1529 B12R1.101 CC(=O)Cc1cc(nc(c1)C)C 1458a_100000070787_200000139866 [0,0,0,0,0,2|1,0,0]=3 1530 B12R1.101 CC(=O)Cc1nc(cc(n1)C)C 1458a_100000070787_100011935097 [0,0,0,0,0,2|2,0,0]=4 1531 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 11a_100000695972_100015343762 [0,0,0,0,0,2|2,0,0]=4 1532 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 1626a_100000695972_100015343762 [0,0,0,0,0,2|2,0,0]=4 1533 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 22a_100000695972_100000070787 [0,0,0,0,0,2|2,0,0]=4 1534 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 527a_100000695972_100103153847 [0,0,0,0,0,2|2,0,0]=4 1535 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 11a_100000210930_100015343762 [0,0,0,0,0,2|1,0,0]=3 1536 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100015343762 [0,0,0,0,0,2|1,0,0]=3 1537 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000070787 [0,0,0,0,0,2|1,0,0]=3 1538 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 527a_100000210930_100103153847 [0,0,0,0,0,2|1,0,0]=3 1539 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 11a_100012022512_100015343762 [0,0,0,0,0,2|2,0,0]=4 1540 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 1626a_100012022512_100015343762 [0,0,0,0,0,2|2,0,0]=4 1541 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 22a_100012022512_100000070787 [0,0,0,0,0,2|2,0,0]=4 1542 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 11a_100000742734_100015343762 [0,0,0,0,0,2|2,0,0]=4 1543 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 1626a_100000742734_100015343762 [0,0,0,0,0,2|2,0,0]=4 1544 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 22a_100000742734_100000070787 [0,0,0,0,0,2|2,0,0]=4 1545 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 527a_100000742734_100103153847 [0,0,0,0,0,2|2,0,0]=4 1546 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100015343762 [0,0,0,0,0,2|2,0,0]=4 1547 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000070787 [0,0,0,0,0,2|2,0,0]=4 1548 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100103153847 [0,0,0,0,0,2|2,0,0]=4 1549 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])C 1458a_100011202310_200025704644 [0,0,0,0,0,2|1,0,0]=3 1550 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])F 1458a_100011216671_200025704644 [0,0,0,0,0,2|2,0,0]=4 1551 B12R1.233 CC(=Cc1ccc(cc1C)C)C 271570a_100102525489_100011217332 [0,0,0,0,0,2|2,0,0]=4 1552 B12R1.233 CC(=Cc1ccc(nc1C)C)C 271570a_100102525489_100009813853 [0,0,0,0,0,2|2,0,0]=4 1553 B12R1.233 CC(=Cc1cnc(cc1C)C)C 271570a_100102525489_100009819613 [0,0,0,0,0,2|2,0,0]=4 1554 B12R1.233 CC(=Cc1ncc(cc1C)C)C 271570a_100102525489_100009864548 [0,0,0,0,0,2|2,0,0]=4 1555 B12R1.233 CC(=Cc1ncc(nc1C)C)C 271570a_100102525489_100000065684 [0,0,0,0,0,2|2,0,0]=4 1556 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000070787_100000708836 [0,0,0,0,0,2|2,0,0]=4 1557 B12R1.233 CC(=O)Cc1ccc(cc1C)Br 1458a_100000697930_200000210301 [0,0,0,0,0,2|2,0,0]=4 1558 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,0,0,0,0,2|1,0,0]=3 1559 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,0,0,0,0,2|1,0,0]=3 1560 B12R1.233 CC(=O)Cc1ccc(cc1C)Cl 1458a_100000070787_100012361307 [0,0,0,0,0,2|2,0,0]=4 1561 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100000070787_100000700533 [0,0,0,0,0,2|2,0,0]=4 1562 B12R1.233 CC(=O)Cc1ccc(cc1C)F 1458a_100011667441_200000210301 [0,0,0,0,0,2|2,0,0]=4 1563 B12R1.233 CC(=O)Cc1ccc(cc1Cl)C 1458a_100000070787_100012349684 [0,0,0,0,0,2|2,0,0]=4 1564 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000042674_200000210301 [0,0,0,0,0,2|2,0,0]=4 1565 B12R1.233 CC(=O)Cc1ccc(cc1F)C 1458a_100000070787_100012002367 [0,0,0,0,0,2|2,0,0]=4 1566 B12R1.233 CC(=O)Cc1ccc(nc1Br)C 1458a_100000070787_200010064658 [0,0,0,0,0,2|2,0,0]=4 1567 B12R1.233 CC(=O)Cc1cnc(cc1C)F 1458a_100000070787_100010382440 [0,0,0,0,0,2|2,0,0]=4 1568 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,0,0,0,0,2|1,0,0]=3 1569 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 11a_100000210942_100015343762 [0,0,0,0,0,2|2,0,0]=4 1570 B12R1.233 CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100015343762 [0,0,0,0,0,2|2,0,0]=4 1571 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 11a_100000211769_100015343762 [0,0,0,0,0,2|2,0,0]=4 1572 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100015343762 [0,0,0,0,0,2|2,0,0]=4 1573 B12R1.233 CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000070787 [0,0,0,0,0,2|2,0,0]=4 1574 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,0,0,0,0,2|1,0,0]=3 1575 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,0,0,0,0,2|1,0,0]=3 1576 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,0,0,0,0,2|1,0,0]=3 1577 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,0,0,0,0,2|1,0,0]=3 1578 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 11a_100000210418_100015343762 [0,0,0,0,0,2|2,0,0]=4 1579 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100015343762 [0,0,0,0,0,2|2,0,0]=4 1580 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000070787 [0,0,0,0,0,2|2,0,0]=4 1581 B12R1.233 CC(=O)Nc1ccc(cc1C)F 11a_100000211637_100015343762 [0,0,0,0,0,2|2,0,0]=4 1582 B12R1.233 CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100015343762 [0,0,0,0,0,2|2,0,0]=4 1583 B12R1.233 CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000070787 [0,0,0,0,0,2|2,0,0]=4 1584 B12R1.233 CC(=O)Nc1ccc(cc1C)F 527a_100000211637_100103153847 [0,0,0,0,0,2|2,0,0]=4 1585 B12R1.233 CC(=O)Nc1ccc(cc1C)I 11a_100000184554_100015343762 [0,0,0,0,0,2|2,0,0]=4 1586 B12R1.233 CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100015343762 [0,0,0,0,0,2|2,0,0]=4 1587 B12R1.233 CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000070787 [0,0,0,0,0,2|2,0,0]=4 1588 B12R1.233 CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000070787 [0,0,0,0,0,2|2,0,0]=4 1589 B12R1.233 CC(=O)Nc1ccc(cc1C)O 271570a_203496583355_100000152120 [0,0,0,0,0,2|2,0,0]=4 1590 B12R1.233 CC(=O)Nc1ccc(cc1C)O 527a_100000756630_100103153847 [0,0,0,0,0,2|2,0,0]=4 1591 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 11a_100000210522_100015343762 [0,0,0,0,0,2|2,0,0]=4 1592 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100015343762 [0,0,0,0,0,2|2,0,0]=4 1593 B12R1.233 CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000070787 [0,0,0,0,0,2|2,0,0]=4 1594 B12R1.233 CC(=O)Nc1ccc(cc1F)C 11a_100000211023_100015343762 [0,0,0,0,0,2|2,0,0]=4 1595 B12R1.233 CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100015343762 [0,0,0,0,0,2|2,0,0]=4 1596 B12R1.233 CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000070787 [0,0,0,0,0,2|2,0,0]=4 1597 B12R1.233 CC(=O)Nc1ccc(cc1F)C 527a_100000211023_100103153847 [0,0,0,0,0,2|2,0,0]=4 1598 B12R1.233 CC(=O)Nc1ccc(cc1I)C 11a_100011356834_100015343762 [0,0,0,0,0,2|2,0,0]=4 1599 B12R1.233 CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100015343762 [0,0,0,0,0,2|2,0,0]=4 1600 B12R1.233 CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000070787 [0,0,0,0,0,2|2,0,0]=4 1601 B12R1.233 CC(=O)Nc1ccc(cc1O)C 271570a_203496583355_100000152032 [0,0,0,0,0,2|2,0,0]=4 1602 B12R1.233 CC(=O)Nc1ccc(cc1O)C 527a_100000211527_100103153847 [0,0,0,0,0,2|2,0,0]=4 1603 B12R1.233 CC(=O)Nc1ncc(cc1C)O 271570a_203496583355_200011934169 [0,0,0,0,0,2|2,0,0]=4 1604 B12R1.233 CC(=O)Nc1ncc(cc1O)C 271570a_203496583355_200009816786 [0,0,0,0,0,2|2,0,0]=4 1605 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])Br 1458a_100000697930_200025704644 [0,0,0,0,0,2|2,0,0]=4 1606 B12R1.233 Cc1cc(ccc1CC(=O)[13CH3])F 1458a_100011667441_200025704644 [0,0,0,0,0,2|2,0,0]=4 1607 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,0,0,0,0,2|1,0,0]=3 1608 B12R1.233 Cc1ccc(c(c1)F)CC(=O)[13CH3] 1458a_100000042674_200025704644 [0,0,0,0,0,2|2,0,0]=4 1609 B12R1.127 CC(=Cc1cc(ccc1C)C)C 271570a_100102525489_100000210833 [0,0,0,0,0,2|2,0,0]=4 1610 B12R1.127 CC(=Cc1cc(cnc1C)C)C 271570a_100102525489_100009817436 [0,0,0,0,0,2|2,0,0]=4 1611 B12R1.127 CC(=Cc1cc(ncc1C)C)C 271570a_100102525489_100009862788 [0,0,0,0,0,2|2,0,0]=4 1612 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,0,0,0,0,2|2,0,0]=4 1613 B12R1.127 CC(=O)Cc1cc(ccc1C)Br 1458a_100010244045_200000210301 [0,0,0,0,0,2|2,0,0]=4 1614 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,0,0,0,0,2|1,0,0]=3 1615 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,0,0,0,0,2|1,0,0]=3 1616 B12R1.127 CC(=O)Cc1cc(ccc1C)Cl 1458a_100000070787_100012186985 [0,0,0,0,0,2|2,0,0]=4 1617 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100000070787_100000709795 [0,0,0,0,0,2|2,0,0]=4 1618 B12R1.127 CC(=O)Cc1cc(ccc1C)F 1458a_100011219217_200000210301 [0,0,0,0,0,2|2,0,0]=4 1619 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,0,0,0,0,2|2,0,0]=4 1620 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,0,0,0,0,2|2,0,0]=4 1621 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,0,0,0,0,2|2,0,0]=4 1622 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,0,0,0,0,2|2,0,0]=4 1623 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,0,0,0,0,2|2,0,0]=4 1624 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 11a_100000741167_100015343762 [0,0,0,0,0,2|2,0,0]=4 1625 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100015343762 [0,0,0,0,0,2|2,0,0]=4 1626 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000070787 [0,0,0,0,0,2|2,0,0]=4 1627 B12R1.127 CC(=O)Nc1cc(ccc1C)Br 527a_100000741167_100103153847 [0,0,0,0,0,2|2,0,0]=4 1628 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,0,0,0,0,2|1,0,0]=3 1629 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,0,0,0,0,2|1,0,0]=3 1630 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,0,0,0,0,2|1,0,0]=3 1631 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 11a_100000211374_100015343762 [0,0,0,0,0,2|2,0,0]=4 1632 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100015343762 [0,0,0,0,0,2|2,0,0]=4 1633 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000070787 [0,0,0,0,0,2|2,0,0]=4 1634 B12R1.127 CC(=O)Nc1cc(ccc1C)Cl 527a_100000211374_100103153847 [0,0,0,0,0,2|2,0,0]=4 1635 B12R1.127 CC(=O)Nc1cc(ccc1C)F 11a_100000211107_100015343762 [0,0,0,0,0,2|2,0,0]=4 1636 B12R1.127 CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100015343762 [0,0,0,0,0,2|2,0,0]=4 1637 B12R1.127 CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000070787 [0,0,0,0,0,2|2,0,0]=4 1638 B12R1.127 CC(=O)Nc1cc(ccc1C)I 11a_100000761890_100015343762 [0,0,0,0,0,2|2,0,0]=4 1639 B12R1.127 CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100015343762 [0,0,0,0,0,2|2,0,0]=4 1640 B12R1.127 CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000070787 [0,0,0,0,0,2|2,0,0]=4 1641 B12R1.127 CC(=O)Nc1cc(ccc1C)I 527a_100000761890_100103153847 [0,0,0,0,0,2|2,0,0]=4 1642 B12R1.127 CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000070787 [0,0,0,0,0,2|2,0,0]=4 1643 B12R1.127 CC(=O)Nc1cc(ccc1C)O 271570a_203496583355_100011344836 [0,0,0,0,0,2|2,0,0]=4 1644 B12R1.127 CC(=O)Nc1cc(ccc1C)O 527a_100011216113_100103153847 [0,0,0,0,0,2|2,0,0]=4 1645 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,0,0,0,0,2|2,0,0]=4 1646 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,0,0,0,0,2|2,0,0]=4 1647 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,0,0,0,0,2|2,0,0]=4 1648 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,0,0,0,0,2|2,0,0]=4 1649 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,0,0,0,0,2|2,0,0]=4 1650 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,0,0,0,0,2|2,0,0]=4 1651 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,0,0,0,0,2|2,0,0]=4 1652 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,0,0,0,0,2|2,0,0]=4 1653 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,0,0,0,0,2|2,0,0]=4 1654 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,0,0,0,0,2|2,0,0]=4 1655 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,0,0,0,0,2|2,0,0]=4 1656 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,0,0,0,0,2|2,0,0]=4 1657 B12R1.127 CC(=O)Nc1cc(cnc1C)O 271570a_203496583355_100010117071 [0,0,0,0,0,2|2,0,0]=4 1658 B12R1.127 CC(=O)Oc1cc(ccc1C)O 271570a_203496583355_100103282185 [0,0,0,0,0,2|2,0,0]=4 1659 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,0,0,0,0,2|2,0,0]=4 1660 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,0,0,0,0,2|1,0,0]=3 1661 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,0,0,0,0,2|2,0,0]=4 1662 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])Br 1458a_100010244045_200025704644 [0,0,0,0,0,2|2,0,0]=4 1663 B12R1.127 Cc1ccc(cc1CC(=O)[13CH3])F 1458a_100011219217_200025704644 [0,0,0,0,0,2|2,0,0]=4 1664 B12R1.861 C=C(C)CSc1cc(sc1C)C 62a_100000688054_100000211660 [0,0,0,0,0,2|1,1,0]=4 1665 B12R1.861 C=C(C)CSc1cc(sc1C)C 62a_100000748629_100000688054 [0,0,0,0,0,2|1,1,0]=4 1666 B12R1.861 CC(=O)NCc1cc(nn1C)C 11a_100000238769_100015343762 [0,0,0,0,0,2|2,0,0]=4 1667 B12R1.861 CC(=O)NCc1cc(nn1C)C 240690a_100000238769_100015343762 [0,0,0,0,0,2|2,0,0]=4 1668 B12R1.861 CC(=O)NCc1cc(nn1C)C 527a_100000238769_100103153847 [0,0,0,0,0,2|2,0,0]=4 1669 B12R1.861 CC(=O)NCc1cn(nc1C)C 11a_100000700070_100015343762 [0,0,0,0,0,2|2,0,0]=4 1670 B12R1.861 CC(=O)NCc1cn(nc1C)C 240690a_100000700070_100015343762 [0,0,0,0,0,2|2,0,0]=4 1671 B12R1.861 CC(=O)NCc1cn(nc1C)C 527a_100000700070_100103153847 [0,0,0,0,0,2|2,0,0]=4 1672 B12R1.861 CC(=O)NCc1sc(nc1C)C 11a_100000761763_100015343762 [0,0,0,0,0,2|2,0,0]=4 1673 B12R1.861 CC(=O)NCc1sc(nc1C)C 1626a_100000761763_100015343762 [0,0,0,0,0,2|2,0,0]=4 1674 B12R1.861 CC(=O)NCc1sc(nc1C)C 240690a_100000761763_100015343762 [0,0,0,0,0,2|2,0,0]=4 1675 B12R1.861 CC(=O)NCc1sc(nc1C)C 527a_100000761763_100103153847 [0,0,0,0,0,2|2,0,0]=4 1676 B12R1.861 CC(=O)NN=C1C=C(OC1C)C 4a_100000189765_100000040871 [0,0,0,0,0,2|0,0,1]=3 1677 B12R1.861 Cc1cc(c(o1)C)COC(C)C 34a_100000688432_100000210206 [0,0,0,0,0,2|1,0,1]=4 1678 B12R1.861 Cc1cc(c(o1)C)COC(C)C 7a_100000688432_100000210206 [0,0,0,0,0,2|1,0,1]=4 1679 B12R1.861 Cc1cc(c(s1)C)SCC(=O)N 62a_100000688054_100000747473 [0,0,0,0,0,2|1,1,0]=4 1680 B12R1.861 Cc1cc(c(s1)C)SCC(=O)N 62a_100000747473_100000688054 [0,0,0,0,0,2|1,1,0]=4 1681 B12R1.861 Cc1cc(c(s1)C)SCC(=O)[O-] 62a_100000688054_100020667443 [0,0,0,0,0,2|1,1,0]=4 1682 B12R1.861 Cc1cc(c(s1)C)SCC(=O)[O-] 62a_100020667443_100000688054 [0,0,0,0,0,2|1,1,0]=4