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|3,0,0]=3 3 B10R1.59 C=C(C)c1cn(nc1C)C 271570a_100000694244_100011996311 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.59 C=C(C)c1cn(nc1N)C 271570a_100000694244_100010776223 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.59 C=C(C)c1nc(cn1C)C 271570a_100000694244_100009816808 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.59 C=C(C)c1nc(sc1C)C 271570a_100000694244_100010270876 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.59 C=C(C)c1nc(sc1C)N 271570a_100000694244_100009817509 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.59 C=C(C)c1nn(cc1C)C 271570a_100000694244_100012644376 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.59 C=C(C)c1nn(nc1C)C 271570a_100000694244_200009884731 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.59 C=C(C)c1sc(cc1C)C 271570a_100000694244_100000689295 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.59 C=C(C)c1sc(nc1C)C 271570a_100000694244_100009814099 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.59 CC(=O)c1sc(nc1C)O 271570a_203496583355_100010106820 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.22 C=Cc1cc(nn1C)C 271570a_100011290941_100009818511 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.22 C=Cc1cc(sc1C)C 271570a_100011290941_100000688054 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.22 C=Cc1cn(nc1C)C 271570a_100011290941_100011996311 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.22 C=Cc1nc(sc1C)C 271570a_100011290941_100010270876 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.22 C=Cc1nn(nc1C)C 271570a_100011290941_200009884731 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.22 C=Cc1sc(cc1C)C 271570a_100011290941_100000689295 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.22 C=Cc1sc(nc1C)C 271570a_100011290941_100009814099 [1,0,0,0,0,0|0,0,1]=2 20 B9R1.22 COc1cc(nn1C)C 34a_100000738638_200000210301 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.22 CSc1cc(nn1C)C 62a_100009818511_200000210301 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.22 CSc1cc(nn1C)C 62a_200000210301_100009818511 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.22 CSc1cn(nc1C)C 62a_100011996311_200000210301 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.22 CSc1cn(nc1C)C 62a_200000210301_100011996311 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.22 CSc1nc([nH]c1C)C 62a_200000210301_200009820778 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.22 CSc1nc([nH]c1C)C 62a_200009820778_200000210301 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.22 CSc1nc(sc1C)C 62a_100010270876_200000210301 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.22 CSc1nc(sc1C)C 62a_200000210301_100010270876 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.22 CSc1nn(nc1C)C 62a_200000210301_200009884731 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.22 CSc1nn(nc1C)C 62a_200009884731_200000210301 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.22 CSc1sc(cc1C)C 62a_100000689295_200000210301 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.22 CSc1sc(cc1C)C 62a_200000210301_100000689295 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.22 CSc1sc(nc1C)C 62a_100009814099_200000210301 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.22 CSc1sc(nc1C)C 62a_200000210301_100009814099 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.22 CSc1sc(nc1C)N 62a_100159269596_200000210301 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.22 CSc1sc(nc1C)N 62a_200000210301_100159269596 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_100000689295_200025704644 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.22 Cc1cc(c(s1)S[13CH3])C 62a_200025704644_100000689295 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.22 Cc1cc(n(n1)C)O[13CH3] 34a_100000738638_200025704644 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_100009818511_200025704644 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.22 Cc1cc(n(n1)C)S[13CH3] 62a_200025704644_100009818511 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200009820778_200025704644 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200025704644_200009820778 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_100010270876_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_200025704644_100010270876 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_100009814099_200025704644 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_200025704644_100009814099 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.22 Cc1nc(sc1C=O)O 271570a_203496583355_100010339034 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.22 Cc1nc(sc1CO)O 271570a_203496583355_100010264302 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.22 Cc1nc(sc1S[13CH3])N 62a_100159269596_200025704644 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.22 Cc1nc(sc1S[13CH3])N 62a_200025704644_100159269596 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_100011996311_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_200025704644_100011996311 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.22 Cc1nn(nc1S[13CH3])C 62a_200009884731_200025704644 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.22 Cc1nn(nc1S[13CH3])C 62a_200025704644_200009884731 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.22 Cc1oc(nc1C=O)O 271570a_203496583355_200010262729 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.35 C=C(C)c1cc(ns1)C 271570a_100000694244_100009815735 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.35 C=C(C)c1cnn(c1)C 271570a_100000694244_100000748075 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.35 C=C(C)c1cnn(n1)C 271570a_100000694244_100000733932 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.35 C=C(C)c1nc(ns1)C 271570a_100000694244_100000709739 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.35 C=C(C)c1nnc(o1)C 271570a_100000694244_100000708914 [1,0,0,0,0,0|2,1,0]=4 75 B9R1.35 C=C(C)c1nnc(s1)C 271570a_100000694244_100000686958 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.35 C=C(C)c1nnc(s1)N 271570a_100000694244_100000738278 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.35 CC(=O)C1CC(=NO1)C 1458a_100000763720_200000210301 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,0,0,0,0,0|2,1,0]=4 80 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.35 CC(C)c1cnc(s1)O 271570a_203496583355_100000697854 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.35 CC1=NOC(C1)C(=O)[13CH3] 1458a_100000763720_200025704644 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.35 Cc1nnc(s1)N(C)C 27a_100102631434_100000686958 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.35 Cc1noc(n1)C(=O)N 270196a_100000212224_100011215815 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.41 C=C(C)c1[nH]cnc1Cl 271570a_100000694244_100010200774 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.41 C=C(C)c1c[nH]nc1C 271570a_100000694244_100011912673 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.41 C=C(C)c1ncnn1C 271570a_100000694244_100000732653 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [1,0,0,0,0,0|1,0,0]=2 102 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [1,0,0,0,0,0|1,0,0]=2 104 B11R1.49 C=C(C)c1cn(nc1CC)C 271570a_100000694244_100012396458 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.49 C=C(C)c1cn(nc1CO)C 271570a_100000694244_100009816719 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.49 C=C(C)c1cn(nc1OC)C 271570a_100000694244_100015475556 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.49 C=C(C)c1sc(nc1CO)C 271570a_100000694244_100011103066 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.50 C=C(C)c1cc(sc1C)CO 271570a_100000694244_100013897464 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.50 C=C(C)c1sc(cc1C)C=O 271570a_100000694244_100000761930 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.50 C=C(C)c1sc(nc1C)CC 271570a_100000694244_100010138847 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.50 C=Cc1nc(c(s1)C(=O)C)C 271570a_100011290941_100010106820 [0,1,0,0,0,0|0,0,1]=2 112 B11R1.50 CC(=O)c1sc(nc1C)S[13CH3] 62a_100010106820_200025704644 [0,1,0,0,0,0|0,0,0]=1 113 B11R1.50 CC(=O)c1sc(nc1C)S[13CH3] 62a_200025704644_100010106820 [0,1,0,0,0,0|0,0,0]=1 114 B11R1.50 CNc1nc(c(s1)C(=O)C)C 27a_100102657272_100010106820 [0,1,0,0,0,0|0,0,0]=1 115 B11R1.50 CSc1nc(c(s1)C(=O)C)C 62a_100010106820_200000210301 [0,1,0,0,0,0|0,0,0]=1 116 B11R1.50 CSc1nc(c(s1)C(=O)C)C 62a_200000210301_100010106820 [0,1,0,0,0,0|0,0,0]=1 117 B11R1.225 COC(=O)c1cc(nn1C)O 271570a_203496583355_100014069049 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.225 COC(=O)c1cc(sc1C)O 271570a_203496583355_100010187159 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.225 COC(=O)c1cc(sc1O)C 271570a_203496583355_100009817063 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.225 COC(=O)c1nc(sc1C)O 271570a_203496583355_100000719214 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.225 COC(=O)c1nc(sc1O)C 271570a_203496583355_100000730370 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.225 COC(=O)c1oc(cc1C)O 271570a_203496583355_100000737583 [0,1,0,0,0,0|2,1,0]=4 123 B11R1.225 COC(=O)c1sc(cc1F)O 271570a_203496583355_100010734428 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.225 COC(=O)c1sc(cc1N)O 271570a_203496583355_100010255210 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.225 COC(=O)c1sc(cc1O)C 271570a_203496583355_100009817204 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.225 COC(=O)c1sc(nc1C)O 271570a_203496583355_100010220626 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.673 C=C(C)c1c(nn(c1C)C)C 271570a_100000694244_100000239273 [0,1,0,0,0,0|3,0,0]=4 128 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210202_100000210371 [0,0,1,0,0,0|1,0,2]=4 129 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210371_100000210202 [0,0,1,0,0,0|1,0,2]=4 130 B9R0.48 CC=CC(=NNC(=O)C)C 4a_100000189765_100011218416 [0,0,1,0,0,0|3,0,0]=4 131 B11R2.66 O=C1OCc2c1sc(c2)O 271570a_203496583355_100010986393 [0,0,0,1,0,0|3,0,0]=4 132 B11R2.356 Cc1cc(c(s1)C2CC2)C 271570a_100011220607_100000689295 [0,0,0,1,0,0|2,0,1]=4 133 B11R2.356 Cc1nc(c(s1)C2CC2)C 271570a_100011220607_100009814099 [0,0,0,1,0,0|1,0,1]=3 134 B11R1.74 C=C(C)c1cc(cc(c1)C)C 271570a_100000694244_100011215608 [0,0,0,0,0,1|3,0,0]=4 135 B11R1.74 C=C(C)c1cc(cc(n1)C)C 271570a_100000694244_100000069240 [0,0,0,0,0,1|3,0,0]=4 136 B11R1.74 C=C(C)c1cc(nc(c1)C)C 271570a_100000694244_100009816552 [0,0,0,0,0,1|2,0,0]=3 137 B11R1.74 C=C(C)c1cc(nc(c1)F)C 271570a_100000694244_100010006595 [0,0,0,0,0,1|3,0,0]=4 138 B11R1.74 C=C(C)c1cc(nc(c1)N)C 271570a_100000694244_100000076705 [0,0,0,0,0,1|3,0,0]=4 139 B11R1.74 C=C(C)c1cc(nc(n1)C)C 271570a_100000694244_100000736142 [0,0,0,0,0,1|2,0,0]=3 140 B11R1.74 C=C(C)c1cc(nc(n1)C)N 271570a_100000694244_100012178882 [0,0,0,0,0,1|3,0,0]=4 141 B11R1.74 C=C(C)c1cc(nc(n1)C)O 271570a_100000694244_106741647437 [0,0,0,0,0,1|3,0,0]=4 142 B11R1.74 C=C(C)c1cc(nc(n1)N)C 271570a_100000694244_100000183061 [0,0,0,0,0,1|3,0,0]=4 143 B11R1.74 C=C(C)c1nc(cc(n1)C)C 271570a_100000694244_100000736147 [0,0,0,0,0,1|3,0,0]=4 144 B11R1.74 C=C(C)c1nc(nc(n1)C)C 271570a_100000694244_100015468570 [0,0,0,0,0,1|2,0,0]=3 145 B11R1.74 C=C(C)c1nc(nc(n1)N)C 271570a_100000694244_200012022553 [0,0,0,0,0,1|3,0,0]=4 146 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,0,0,0,0,1|3,0,0]=4 147 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,0,0,0,0,1|2,0,0]=3 148 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,0,0,0,0,1|3,0,0]=4 149 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,0,0,0,0,1|3,0,0]=4 150 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,0,0,0,0,1|3,0,0]=4 151 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,0,0,0,0,1|3,0,0]=4 152 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,0,0,0,0,1|3,0,0]=4 153 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [0,0,0,0,0,1|2,0,0]=3 154 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,0,0,0,0,1|3,0,0]=4 155 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,0,0,0,0,1|2,0,0]=3 156 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,0,0,0,0,1|3,0,0]=4 157 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,0,0,0,0,1|3,0,0]=4 158 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,0,0,0,0,1|3,0,0]=4 159 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,0,0,0,0,1|3,0,0]=4 160 B11R1.74 Cc1cc(cc(n1)C)N(C)C 27a_100102631434_100000066820 [0,0,0,0,0,1|3,0,0]=4 161 B11R1.74 Cc1cc(nc(n1)C)N(C)C 27a_100102631434_100000736142 [0,0,0,0,0,1|3,0,0]=4 162 B11R1.74 Cc1nc(nc(n1)N(C)C)C 27a_100102631434_100015468570 [0,0,0,0,0,1|3,0,0]=4 163 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,0,0,0,0,1|3,0,0]=4 164 B11R1.166 C=C(C)c1ccc(nc1C)C 271570a_100000694244_100009813853 [0,0,0,0,0,1|2,0,0]=3 165 B11R1.166 C=C(C)c1ccc(nc1C)Cl 271570a_100000694244_100000062408 [0,0,0,0,0,1|3,0,0]=4 166 B11R1.166 C=C(C)c1ccc(nc1C)F 271570a_100000694244_100000688911 [0,0,0,0,0,1|3,0,0]=4 167 B11R1.166 C=C(C)c1ccc(nc1C)N 271570a_100000694244_100000013003 [0,0,0,0,0,1|3,0,0]=4 168 B11R1.166 C=C(C)c1ccc(nc1C)O 271570a_100000694244_100000691680 [0,0,0,0,0,1|3,0,0]=4 169 B11R1.166 C=C(C)c1ccc(nc1F)C 271570a_100000694244_100010006597 [0,0,0,0,0,1|3,0,0]=4 170 B11R1.166 C=C(C)c1ccc(nc1N)C 271570a_100000694244_100009816662 [0,0,0,0,0,1|3,0,0]=4 171 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [0,0,0,0,0,1|3,0,0]=4 172 B11R1.166 C=C(C)c1cnc(cc1C)C 271570a_100000694244_100009819613 [0,0,0,0,0,1|3,0,0]=4 173 B11R1.166 C=C(C)c1cnc(nc1C)N 271570a_100000694244_100000725598 [0,0,0,0,0,1|3,0,0]=4 174 B11R1.166 C=C(C)c1cnc(nc1N)C 271570a_100000694244_100000684960 [0,0,0,0,0,1|3,0,0]=4 175 B11R1.166 C=C(C)c1ncc(cc1C)C 271570a_100000694244_100009864548 [0,0,0,0,0,1|3,0,0]=4 176 B11R1.166 C=C(C)c1ncc(nc1C)C 271570a_100000694244_100000065684 [0,0,0,0,0,1|2,0,0]=3 177 B11R1.166 C=C(C)c1ncc(nc1C)N 271570a_100000694244_100009818570 [0,0,0,0,0,1|3,0,0]=4 178 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,0,0,0,0,1|3,0,0]=4 179 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,0,0,0,0,1|3,0,0]=4 180 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,0,0,0,0,1|2,0,0]=3 181 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,0,0,0,0,1|3,0,0]=4 182 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,0,0,0,0,1|3,0,0]=4 183 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,0,0,0,0,1|3,0,0]=4 184 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,0,0,0,0,1|3,0,0]=4 185 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,0,0,0,0,1|3,0,0]=4 186 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,0,0,0,0,1|3,0,0]=4 187 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,0,0,0,0,1|3,0,0]=4 188 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,0,0,0,0,1|3,0,0]=4 189 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,0,0,0,0,1|3,0,0]=4 190 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,0,0,0,0,1|3,0,0]=4 191 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,0,0,0,0,1|3,0,0]=4 192 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,0,0,0,0,1|3,0,0]=4 193 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,0,0,0,0,1|3,0,0]=4 194 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,0,0,0,0,1|3,0,0]=4 195 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,0,0,0,0,1|3,0,0]=4 196 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,0,0,0,0,1|3,0,0]=4 197 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,0,0,0,0,1|2,0,0]=3 198 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,0,0,0,0,1|3,0,0]=4 199 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,0,0,0,0,1|3,0,0]=4 200 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,0,0,0,0,1|3,0,0]=4 201 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,0,0,0,0,1|3,0,0]=4 202 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,0,0,0,0,1|3,0,0]=4 203 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,0,0,0,0,1|3,0,0]=4 204 B11R1.167 C=C(C)c1cc(cnc1C)Br 271570a_100000694244_200010090566 [0,0,0,0,0,1|3,0,0]=4 205 B11R1.167 C=C(C)c1cc(cnc1C)C 271570a_100000694244_100009817436 [0,0,0,0,0,1|2,0,0]=3 206 B11R1.167 C=C(C)c1cc(cnc1C)F 271570a_100000694244_100009860710 [0,0,0,0,0,1|3,0,0]=4 207 B11R1.167 C=C(C)c1cc(cnc1C)N 271570a_100000694244_100011998591 [0,0,0,0,0,1|3,0,0]=4 208 B11R1.167 C=C(C)c1cc(cnc1C)O 271570a_100000694244_100009819603 [0,0,0,0,0,1|3,0,0]=4 209 B11R1.167 C=C(C)c1cc(cnc1Cl)C 271570a_100000694244_100010210167 [0,0,0,0,0,1|3,0,0]=4 210 B11R1.167 C=C(C)c1cc(cnc1F)C 271570a_100000694244_100000049784 [0,0,0,0,0,1|3,0,0]=4 211 B11R1.167 C=C(C)c1cc(cnc1N)C 271570a_100000694244_100000049664 [0,0,0,0,0,1|3,0,0]=4 212 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [0,0,0,0,0,1|3,0,0]=4 213 B11R1.167 C=C(C)c1cc(n[nH]c1=O)C 271570a_100000694244_100009819039 [0,0,0,0,0,1|3,0,0]=4 214 B11R1.167 C=C(C)c1cc(ncc1C)Br 271570a_100000694244_100010067628 [0,0,0,0,0,1|3,0,0]=4 215 B11R1.167 C=C(C)c1cc(ncc1C)C 271570a_100000694244_100009862788 [0,0,0,0,0,1|2,0,0]=3 216 B11R1.167 C=C(C)c1cc(ncc1C)Cl 271570a_100000694244_100010068021 [0,0,0,0,0,1|3,0,0]=4 217 B11R1.167 C=C(C)c1cc(ncc1C)F 271570a_100000694244_100000049870 [0,0,0,0,0,1|3,0,0]=4 218 B11R1.167 C=C(C)c1cc(ncc1C)N 271570a_100000694244_100009819938 [0,0,0,0,0,1|3,0,0]=4 219 B11R1.167 C=C(C)c1cc(ncc1C)O 271570a_100000694244_100009831917 [0,0,0,0,0,1|3,0,0]=4 220 B11R1.167 C=C(C)c1cc(ncc1F)C 271570a_100000694244_100009867690 [0,0,0,0,0,1|3,0,0]=4 221 B11R1.167 C=C(C)c1cc(ncc1O)C 271570a_100000694244_100009843476 [0,0,0,0,0,1|3,0,0]=4 222 B11R1.167 C=C(C)c1nc(ccc1C)C 271570a_100000694244_100009854376 [0,0,0,0,0,1|3,0,0]=4 223 B11R1.167 C=C(C)c1nc(cnc1C)C 271570a_100000694244_100000211308 [0,0,0,0,0,1|2,0,0]=3 224 B11R1.167 C=C(C)c1nc(cnc1C)N 271570a_100000694244_100009877824 [0,0,0,0,0,1|3,0,0]=4 225 B11R1.167 C=C(C)c1nc(cnc1N)C 271570a_100000694244_100009819049 [0,0,0,0,0,1|3,0,0]=4 226 B11R1.167 C=C(C)c1nc(ncc1C)N 271570a_100000694244_100000016107 [0,0,0,0,0,1|3,0,0]=4 227 B11R1.167 C=C(C)c1nc(ncc1F)C 271570a_100000694244_100000059819 [0,0,0,0,0,1|3,0,0]=4 228 B11R1.167 C=C(C)c1nc(ncc1N)C 271570a_100000694244_100009873743 [0,0,0,0,0,1|3,0,0]=4 229 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,0,0,0,0,1|3,0,0]=4 230 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,0,0,0,0,1|3,0,0]=4 231 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,0,0,0,0,1|2,0,0]=3 232 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,0,0,0,0,1|3,0,0]=4 233 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,0,0,0,0,1|3,0,0]=4 234 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,0,0,0,0,1|3,0,0]=4 235 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,0,0,0,0,1|3,0,0]=4 236 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,0,0,0,0,1|3,0,0]=4 237 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,0,0,0,0,1|3,0,0]=4 238 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,0,0,0,0,1|3,0,0]=4 239 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,0,0,0,0,1|3,0,0]=4 240 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,0,0,0,0,1|3,0,0]=4 241 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,0,0,0,0,1|3,0,0]=4 242 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,0,0,0,0,1|2,0,0]=3 243 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,0,0,0,0,1|3,0,0]=4 244 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,0,0,0,0,1|3,0,0]=4 245 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,0,0,0,0,1|3,0,0]=4 246 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,0,0,0,0,1|3,0,0]=4 247 B11R1.167 CC(=O)c1nc(ncc1C)O 271570a_203496583355_100010687370 [0,0,0,0,0,1|2,0,0]=3 248 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,0,0,0,0,1|3,0,0]=4 249 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,0,0,0,0,1|2,0,0]=3 250 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,0,0,0,0,1|3,0,0]=4 251 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,0,0,0,0,1|3,0,0]=4 252 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,0,0,0,0,1|3,0,0]=4 253 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,0,0,0,0,1|3,0,0]=4 254 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,0,0,0,0,1|3,0,0]=4 255 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,0,0,0,0,1|3,0,0]=4 256 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,0,0,0,0,1|3,0,0]=4 257 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,0,0,0,0,1|3,0,0]=4 258 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,0,0,0,0,1|3,0,0]=4 259 B11R1.167 Cc1cnc(c(n1)N(C)C)C 27a_100102631434_100000211308 [0,0,0,0,0,1|3,0,0]=4 260 B11R1.645 CC(=Cc1cc(nn1C)C)C 271570a_100102525489_100009818511 [0,0,0,0,0,1|3,0,0]=4 261 B11R1.645 CC(=Cc1cc(sc1C)C)C 271570a_100102525489_100000688054 [0,0,0,0,0,1|3,0,0]=4 262 B11R1.645 CC(=Cc1cn(nc1C)C)C 271570a_100102525489_100011996311 [0,0,0,0,0,1|3,0,0]=4 263 B11R1.645 CC(=Cc1nc(sc1C)C)C 271570a_100102525489_100010270876 [0,0,0,0,0,1|3,0,0]=4 264 B11R1.645 CC(=Cc1nn(nc1C)C)C 271570a_100102525489_200009884731 [0,0,0,0,0,1|3,0,0]=4 265 B11R1.645 CC(=Cc1sc(cc1C)C)C 271570a_100102525489_100000689295 [0,0,0,0,0,1|2,0,0]=3 266 B11R1.645 CC(=Cc1sc(nc1C)C)C 271570a_100102525489_100009814099 [0,0,0,0,0,1|1,0,0]=2 267 B11R1.645 CC(=O)C=C1SC(=O)NC1=O 1458a_200020603252_200000210301 [0,0,0,0,0,1|2,0,1]=4 268 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100000070787_100025716357 [0,0,0,0,0,1|2,0,0]=3 269 B11R1.645 CC(=O)Cc1cc(nn1C)C 1458a_100132302298_200000210301 [0,0,0,0,0,1|2,0,0]=3 270 B11R1.645 CC(=O)Cc1cn(nc1C)C 1458a_100000070787_100015186178 [0,0,0,0,0,1|2,0,0]=3 271 B11R1.645 CC(=O)Cc1nc(sc1C)C 1458a_100000040699_200000210301 [0,0,0,0,0,1|2,0,0]=3 272 B11R1.645 CC(=O)Cc1oc(=O)oc1C 1458a_100000070787_100000068490 [0,0,0,0,0,1|2,1,0]=4 273 B11R1.645 CC(=O)Cc1sc(nc1Br)C 1458a_100000070787_100015664652 [0,0,0,0,0,1|1,0,0]=2 274 B11R1.645 CC(=O)Cc1sc(nc1C)C 1458a_100000070787_100000760948 [0,0,0,0,0,1|0,0,0]=1 275 B11R1.645 CC(=O)Cc1sc(nc1C)C 1458a_100025788167_200000210301 [0,0,0,0,0,1|0,0,0]=1 276 B11R1.645 CC(=O)Cn1nc(cc1C)C 1458a_100000230924_200000210301 [0,0,0,0,0,1|3,0,0]=4 277 B11R1.645 CC(=O)Cn1nc(nc1C)C 1458a_100016993699_200000210301 [0,0,0,0,0,1|2,0,0]=3 278 B11R1.645 Cc1cc(c(s1)SC(C)C)C 62a_100000210206_100000689295 [0,0,0,0,0,1|2,0,1]=4 279 B11R1.645 Cc1cc(c(s1)SC(C)C)C 62a_100000689295_100000210206 [0,0,0,0,0,1|2,0,1]=4 280 B11R1.645 Cc1cc(n(n1)C)CC(=O)[13CH3] 1458a_100132302298_200025704644 [0,0,0,0,0,1|2,0,0]=3 281 B11R1.645 Cc1cc(n(n1)CC(=O)[13CH3])C 1458a_100000230924_200025704644 [0,0,0,0,0,1|3,0,0]=4 282 B11R1.645 Cc1nc(c(s1)C)CC(=O)[13CH3] 1458a_100000040699_200025704644 [0,0,0,0,0,1|2,0,0]=3 283 B11R1.645 Cc1nc(c(s1)CC(=O)[13CH3])C 1458a_100025788167_200025704644 [0,0,0,0,0,1|0,0,0]=1 284 B11R1.645 Cc1nc(c(s1)CN(C)C)Br 2230a_100102631434_100015664652 [0,0,0,0,0,1|3,0,0]=4 285 B11R1.645 Cc1nc(c(s1)CN(C)C)Br 269982a_100102631434_100015664652 [0,0,0,0,0,1|3,0,0]=4 286 B11R1.645 Cc1nc(c(s1)CN(C)C)C 2230a_100102631434_100000760948 [0,0,0,0,0,1|2,0,0]=3 287 B11R1.645 Cc1nc(c(s1)CN(C)C)C 269982a_100102631434_100000760948 [0,0,0,0,0,1|2,0,0]=3 288 B11R1.645 Cc1nc(c(s1)SC(C)C)C 62a_100000210206_100009814099 [0,0,0,0,0,1|1,0,1]=3 289 B11R1.645 Cc1nc(c(s1)SC(C)C)C 62a_100009814099_100000210206 [0,0,0,0,0,1|1,0,1]=3 290 B11R1.645 Cc1nc(n(n1)CC(=O)[13CH3])C 1458a_100016993699_200025704644 [0,0,0,0,0,1|2,0,0]=3 291 B11R1.645 Cc1nc(sc1SC(C)C)N 62a_100000210206_100159269596 [0,0,0,0,0,1|2,0,1]=4 292 B11R1.645 Cc1nc(sc1SC(C)C)N 62a_100159269596_100000210206 [0,0,0,0,0,1|2,0,1]=4 293 B11R1.645 [13CH3]C(=O)C=C1SC(=O)NC1=O 1458a_200020603252_200025704644 [0,0,0,0,0,1|2,0,1]=4 294 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,0,1,0,0,0|1,0,1]=4 295 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,0,1,0,0,0|1,0,1]=4 296 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [1,0,1,0,0,0|1,0,1]=4 297 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [1,0,1,0,0,0|1,0,1]=4 298 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [1,0,1,0,0,0|1,0,1]=4 299 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [1,0,1,0,0,0|1,0,1]=4 300 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [1,0,1,0,0,0|1,0,0]=3 301 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [1,0,1,0,0,0|1,0,0]=3 302 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [2,0,0,0,0,0|1,0,1]=4 303 B8R1.1 C=Cc1cnc(s1)C 271570a_100011290941_100000764884 [2,0,0,0,0,0|0,0,1]=3 304 B8R1.1 C=Cc1nnc(s1)C 271570a_100011290941_100000686958 [2,0,0,0,0,0|1,0,1]=4 305 B8R1.1 CNc1nnc(s1)C 27a_100102657272_100000686958 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.1 CSc1cnc(s1)Br 62a_100012357534_200000210301 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.1 CSc1cnc(s1)Br 62a_200000210301_100012357534 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.1 CSc1cnc(s1)C 62a_100000764884_200000210301 [2,0,0,0,0,0|1,0,0]=3 311 B8R1.1 CSc1cnc(s1)C 62a_200000210301_100000764884 [2,0,0,0,0,0|1,0,0]=3 312 B8R1.1 CSc1cnc(s1)N 62a_100000718969_200000210301 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.1 CSc1cnc(s1)N 62a_200000210301_100000718969 [2,0,0,0,0,0|2,0,0]=4 314 B8R1.1 CSc1nnc(s1)C 62a_100000686958_200000210301 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.1 CSc1nnc(s1)C 62a_200000210301_100000686958 [2,0,0,0,0,0|2,0,0]=4 316 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_100000764884_200025704644 [2,0,0,0,0,0|1,0,0]=3 319 B8R1.1 Cc1ncc(s1)S[13CH3] 62a_200025704644_100000764884 [2,0,0,0,0,0|1,0,0]=3 320 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_100000686958_200025704644 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.1 Cc1nnc(s1)S[13CH3] 62a_200025704644_100000686958 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [2,0,0,0,0,0|1,0,0]=3 324 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_100012357534_200025704644 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.1 [13CH3]Sc1cnc(s1)Br 62a_200025704644_100012357534 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_100000718969_200025704644 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.1 [13CH3]Sc1cnc(s1)N 62a_200025704644_100000718969 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.11 C=Cc1sccc1C 271570a_100011290941_100000742657 [2,0,0,0,0,0|1,0,1]=4 329 B8R1.11 C=Cc1scnc1C 271570a_100011290941_100009817116 [2,0,0,0,0,0|0,0,1]=3 330 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.11 CSc1scnc1C 62a_100009817116_200000210301 [2,0,0,0,0,0|1,0,0]=3 333 B8R1.11 CSc1scnc1C 62a_200000210301_100009817116 [2,0,0,0,0,0|1,0,0]=3 334 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.11 Cc1ncsc1S[13CH3] 62a_100009817116_200025704644 [2,0,0,0,0,0|1,0,0]=3 337 B8R1.11 Cc1ncsc1S[13CH3] 62a_200025704644_100009817116 [2,0,0,0,0,0|1,0,0]=3 338 B8R1.11 O=Cc1sccc1O 271570a_203496583355_100000766043 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.18 Cc1cc(c(s1)O)C 271570a_203496583355_100000689295 [2,0,0,0,0,0|1,0,1]=4 341 B8R1.18 Cc1cc(sc1C)O 271570a_203496583355_100009850898 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [2,0,0,0,0,0|0,0,1]=3 344 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [2,0,0,0,0,0|1,0,0]=3 345 B8R1.18 Cc1sc(nc1O)N 271570a_203496583355_100009817509 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [2,0,0,0,0,0|1,1,0]=4 348 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [2,0,0,0,0,0|1,0,0]=3 349 B8R1.7 C=C(C)c1nncs1 271570a_100000694244_100000739804 [2,0,0,0,0,0|2,0,0]=4 350 B10R1.32 C=Cc1cc(sc1C=O)C 271570a_100011290941_100011361552 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.32 C=Cc1sc(nc1CO)C 271570a_100011290941_100011103066 [1,1,0,0,0,0|0,0,1]=3 352 B10R1.32 CSc1cc(sc1C=O)C 62a_100011361552_200000210301 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.32 CSc1cc(sc1C=O)C 62a_200000210301_100011361552 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.32 CSc1sc(nc1CO)C 62a_100011103066_200000210301 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.32 CSc1sc(nc1CO)C 62a_200000210301_100011103066 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.32 Cc1cc(c(s1)C=O)S[13CH3] 62a_100011361552_200025704644 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.32 Cc1cc(c(s1)C=O)S[13CH3] 62a_200025704644_100011361552 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.32 Cc1nc(c(s1)S[13CH3])CO 62a_100011103066_200025704644 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.32 Cc1nc(c(s1)S[13CH3])CO 62a_200025704644_100011103066 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.35 C=Cc1cc(c(s1)C=O)C 271570a_100011290941_100010221198 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.35 C=Cc1nc(c(s1)C=O)C 271570a_100011290941_100010339034 [1,1,0,0,0,0|0,0,1]=3 362 B10R1.35 C=Cc1sc(nc1C)CC 271570a_100011290941_100010138847 [1,1,0,0,0,0|0,0,1]=3 363 B10R1.35 CCc1nc(c(s1)SC)C 62a_100010138847_200000210301 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.35 CCc1nc(c(s1)SC)C 62a_200000210301_100010138847 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.35 CCc1nc(c(s1)S[13CH3])C 62a_100010138847_200025704644 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.35 CCc1nc(c(s1)S[13CH3])C 62a_200025704644_100010138847 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.35 CNc1nc(c(s1)C=O)C 27a_100102657272_100010339034 [1,1,0,0,0,0|0,0,0]=2 368 B10R1.35 CSc1cc(c(s1)C=O)C 62a_100010221198_200000210301 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.35 CSc1cc(c(s1)C=O)C 62a_200000210301_100010221198 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.35 CSc1nc(c(o1)C)C=O 62a_200000210301_200010262729 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.35 CSc1nc(c(o1)C)C=O 62a_200010262729_200000210301 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.35 CSc1nc(c(s1)C=O)C 62a_100010339034_200000210301 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.35 CSc1nc(c(s1)C=O)C 62a_200000210301_100010339034 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.35 CSc1nc(c(s1)CO)C 62a_100010264302_200000210301 [1,1,0,0,0,0|0,0,2]=4 375 B10R1.35 CSc1nc(c(s1)CO)C 62a_200000210301_100010264302 [1,1,0,0,0,0|0,0,2]=4 376 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_100010221198_200025704644 [1,1,0,0,0,0|1,0,0]=3 377 B10R1.35 Cc1cc(sc1C=O)S[13CH3] 62a_200025704644_100010221198 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.35 Cc1nc(sc1C=O)S[13CH3] 62a_100010339034_200025704644 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.35 Cc1nc(sc1C=O)S[13CH3] 62a_200025704644_100010339034 [1,1,0,0,0,0|0,0,0]=2 380 B10R1.35 Cc1nc(sc1CO)S[13CH3] 62a_100010264302_200025704644 [1,1,0,0,0,0|0,0,2]=4 381 B10R1.35 Cc1nc(sc1CO)S[13CH3] 62a_200025704644_100010264302 [1,1,0,0,0,0|0,0,2]=4 382 B10R1.35 Cc1oc(nc1C=O)S[13CH3] 62a_200010262729_200025704644 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.35 Cc1oc(nc1C=O)S[13CH3] 62a_200025704644_200010262729 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.130 C=C=Cc1sc(cc1C)C 271570a_100015277604_100000689295 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.130 C=C=Cc1sc(nc1C)C 271570a_100015277604_100009814099 [1,1,0,0,0,0|0,0,1]=3 386 B10R1.130 CC=Cc1cc(nn1C)C 271570a_100016259895_100009818511 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.130 CC=Cc1cc(sc1C)C 271570a_100016259895_100000688054 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.130 CC=Cc1cn(nc1C)C 271570a_100016259895_100011996311 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.130 CC=Cc1nc(sc1C)C 271570a_100016259895_100010270876 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.130 CC=Cc1nn(nc1C)C 271570a_100016259895_200009884731 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.130 CC=Cc1sc(cc1C)C 271570a_100016259895_100000689295 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.130 CC=Cc1sc(nc1C)C 271570a_100016259895_100009814099 [1,1,0,0,0,0|0,0,0]=2 393 B10R1.130 CCSc1sc(cc1C)C 62a_100000210202_100000689295 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.130 CCSc1sc(cc1C)C 62a_100000689295_100000210202 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.130 CCSc1sc(nc1C)C 62a_100000210202_100009814099 [1,1,0,0,0,0|0,0,1]=3 396 B10R1.130 CCSc1sc(nc1C)C 62a_100009814099_100000210202 [1,1,0,0,0,0|0,0,1]=3 397 B10R1.130 CCSc1sc(nc1C)N 62a_100000210202_100159269596 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.130 CCSc1sc(nc1C)N 62a_100159269596_100000210202 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.130 CNCc1oc(nc1C)C 207a_100102657272_100000734261 [1,1,0,0,0,0|0,1,1]=4 400 B10R1.130 CNCc1sc(nc1Br)C 2230a_106832991635_100015664652 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.130 CNCc1sc(nc1Br)C 34a_100102657272_100015664652 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.130 CNCc1sc(nc1Br)C 7a_106832991635_100015664652 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.130 CNCc1sc(nc1C)C 207a_100102657272_100000757988 [1,1,0,0,0,0|0,0,1]=3 404 B10R1.130 CNCc1sc(nc1C)C 2230a_100000761763_200000210301 [1,1,0,0,0,0|0,0,1]=3 405 B10R1.130 CNCc1sc(nc1C)C 2230a_106832991635_100000760948 [1,1,0,0,0,0|0,0,1]=3 406 B10R1.130 CNCc1sc(nc1C)C 34a_100102657272_100000760948 [1,1,0,0,0,0|0,0,1]=3 407 B10R1.130 CNCc1sc(nc1C)C 7a_106832991635_100000760948 [1,1,0,0,0,0|0,0,1]=3 408 B10R1.130 COCc1sc(nc1Br)C 34a_100138415774_100015664652 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.130 COCc1sc(nc1C)Br 7a_100010264302_200000210301 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.130 COCc1sc(nc1C)C 34a_100000750043_200000210301 [1,1,0,0,0,0|0,0,1]=3 411 B10R1.130 COCc1sc(nc1C)C 34a_100138415774_100000760948 [1,1,0,0,0,0|0,0,1]=3 412 B10R1.130 COCc1sc(nc1C)C 7a_100000750043_200000210301 [1,1,0,0,0,0|0,0,1]=3 413 B10R1.130 CSCc1sc(nc1Br)C 62a_100015664652_200000210301 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.130 CSCc1sc(nc1Br)C 62a_200000210301_100015664652 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.130 CSCc1sc(nc1C)C 62a_100000760948_200000210301 [1,1,0,0,0,0|0,0,1]=3 416 B10R1.130 CSCc1sc(nc1C)C 62a_200000210301_100000760948 [1,1,0,0,0,0|0,0,1]=3 417 B10R1.130 Cc1cc(c(s1)SCF)C 62a_100000689295_100015361967 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.130 Cc1cc(c(s1)SCF)C 62a_100015361967_100000689295 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.130 Cc1nc(c(s1)CN[13CH3])C 2230a_100000761763_200025704644 [1,1,0,0,0,0|0,0,1]=3 420 B10R1.130 Cc1nc(c(s1)CO[13CH3])C 34a_100000750043_200025704644 [1,1,0,0,0,0|0,0,1]=3 421 B10R1.130 Cc1nc(c(s1)CO[13CH3])C 7a_100000750043_200025704644 [1,1,0,0,0,0|0,0,1]=3 422 B10R1.130 Cc1nc(c(s1)CS[13CH3])Br 62a_100015664652_200025704644 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.130 Cc1nc(c(s1)CS[13CH3])Br 62a_200025704644_100015664652 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.130 Cc1nc(c(s1)CS[13CH3])C 62a_100000760948_200025704644 [1,1,0,0,0,0|0,0,1]=3 425 B10R1.130 Cc1nc(c(s1)CS[13CH3])C 62a_200025704644_100000760948 [1,1,0,0,0,0|0,0,1]=3 426 B10R1.130 Cc1nc(c(s1)SCF)C 62a_100009814099_100015361967 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.130 Cc1nc(c(s1)SCF)C 62a_100015361967_100009814099 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.130 Cc1nc(sc1CO[13CH3])Br 7a_100010264302_200025704644 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.130 Cc1nc(sc1SCF)N 62a_100015361967_100159269596 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.130 Cc1nc(sc1SCF)N 62a_100159269596_100015361967 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.31 C=C(C)c1ccc(s1)CN 271570a_100000694244_100000737305 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.31 C=C(C)c1ccc(s1)CO 271570a_100000694244_100000246291 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.31 C=C(C)c1cnc(s1)C=O 271570a_100000694244_100000699580 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.31 C=C(C)c1cnc(s1)CN 271570a_100000694244_100016991807 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.31 C=C(C)c1cnc(s1)CO 271570a_100000694244_100000696694 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.31 C=C(C)c1cnc(s1)OC 271570a_100000694244_100000729428 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.31 C=C(C)c1nnc(s1)NC 271570a_100000694244_200012111945 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.31 C=Cc1ncc(s1)C(=O)C 271570a_100011290941_200010173910 [1,1,0,0,0,0|0,0,1]=3 446 B10R1.31 C=Cc1ncc(s1)C(=O)N 271570a_100011290941_100010220624 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [1,1,0,0,0,0|1,1,0]=4 449 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200010173910_200025704644 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_200010173910 [1,1,0,0,0,0|0,0,0]=2 453 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200012344231_200025704644 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.31 CC(=O)c1csc(c1)S[13CH3] 62a_200025704644_200012344231 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_100000693680_200025704644 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100000693680 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.31 CC(C)c1cnc(s1)S[13CH3] 62a_100000697854_200025704644 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.31 CC(C)c1cnc(s1)S[13CH3] 62a_200025704644_100000697854 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.31 CNc1ncc(s1)C(=O)C 27a_100102657272_200010173910 [1,1,0,0,0,0|0,0,0]=2 460 B10R1.31 CNc1ncc(s1)C(=O)N 27a_100102657272_100010220624 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.31 CNc1ncc(s1)C(C)C 27a_100102657272_100000697854 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200000210301_200012344231 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.31 CSc1cc(cs1)C(=O)C 62a_200012344231_200000210301 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [1,1,0,0,0,0|1,1,0]=4 466 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.31 CSc1cnc(s1)C(=O)C 62a_100000693680_200000210301 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.31 CSc1cnc(s1)C(=O)C 62a_200000210301_100000693680 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200000210301_200010173910 [1,1,0,0,0,0|0,0,0]=2 472 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200010173910_200000210301 [1,1,0,0,0,0|0,0,0]=2 473 B10R1.31 CSc1ncc(s1)C(=O)N 62a_100010220624_200000210301 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.31 CSc1ncc(s1)C(=O)N 62a_200000210301_100010220624 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.31 CSc1ncc(s1)C(C)C 62a_100000697854_200000210301 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.31 CSc1ncc(s1)C(C)C 62a_200000210301_100000697854 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.31 [13CH3]Sc1ncc(s1)C(=O)N 62a_100010220624_200025704644 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.31 [13CH3]Sc1ncc(s1)C(=O)N 62a_200025704644_100010220624 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.58 C=C(C)c1cc(c(s1)C)C 271570a_100000694244_100009850898 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.194 C=C(C)c1cnc(n1C)C 271570a_100000694244_100000762843 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.39 C=C(C)c1sccc1CC 271570a_100000694244_200009875468 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.39 C=C(C)c1sccc1CN 271570a_100000694244_100000727803 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.39 C=C(C)c1sccc1CO 271570a_100000694244_100009816922 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.39 C=Cc1ncsc1C(=O)C 271570a_100011290941_200010339033 [1,1,0,0,0,0|0,0,1]=3 488 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200010339033_200025704644 [1,1,0,0,0,0|0,0,0]=2 490 B10R1.39 CC(=O)c1scnc1S[13CH3] 62a_200025704644_200010339033 [1,1,0,0,0,0|0,0,0]=2 491 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.39 CSc1ncsc1C(=O)C 62a_200000210301_200010339033 [1,1,0,0,0,0|0,0,0]=2 493 B10R1.39 CSc1ncsc1C(=O)C 62a_200010339033_200000210301 [1,1,0,0,0,0|0,0,0]=2 494 B10R1.149 COC(=O)c1[nH]cnc1O 271570a_203496583355_100010290838 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.149 COC(=O)c1sccc1O 271570a_203496583355_100000730364 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.149 COC(=O)c1scnc1O 271570a_203496583355_100013370767 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.192 CC(=O)c1c(cnn1C)O 271570a_203496583355_100012349272 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.11 C=C(C)c1cc(nc(c1)CN)C 271570a_100000694244_100010178683 [0,1,0,0,0,1|2,0,0]=4 499 B12R1.11 C=C(C)c1cc(nc(c1)CO)C 271570a_100000694244_100010178681 [0,1,0,0,0,1|2,0,0]=4 500 B12R1.11 C=C(C)c1cc(nc(c1)OC)C 271570a_100000694244_100010067692 [0,1,0,0,0,1|2,0,0]=4 501 B12R1.11 C=C(C)c1cc(nc(n1)C)CC 271570a_100000694244_100000761995 [0,1,0,0,0,1|2,0,0]=4 502 B12R1.11 C=C(C)c1cc(nc(n1)C)NC 271570a_100000694244_100000758931 [0,1,0,0,0,1|2,0,0]=4 503 B12R1.11 C=C(C)c1cc(nc(n1)C)OC 271570a_100000694244_100011686313 [0,1,0,0,0,1|2,0,0]=4 504 B12R1.11 C=C(C)c1cc(nc(n1)C)SC 271570a_100000694244_100011686690 [0,1,0,0,0,1|2,0,0]=4 505 B12R1.11 C=C(C)c1cc(nc(n1)CC)C 271570a_100000694244_100000687827 [0,1,0,0,0,1|2,0,0]=4 506 B12R1.11 C=C(C)c1cc(nc(n1)NC)C 271570a_100000694244_100011202761 [0,1,0,0,0,1|2,0,0]=4 507 B12R1.11 C=C(C)c1cc(nc(n1)SC)C 271570a_100000694244_100000073727 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.11 C=Cc1cc(cc(n1)C)C(=O)C 271570a_100011290941_100009884196 [0,1,0,0,0,1|1,0,1]=4 509 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 34a_100009855872_200025704644 [0,1,0,0,0,1|2,0,0]=4 510 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 7a_100009855872_200025704644 [0,1,0,0,0,1|2,0,0]=4 511 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_100000694479_200025704644 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100000694479 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.11 CC(=O)c1cc(nc(c1)S[13CH3])C 62a_100009884196_200025704644 [0,1,0,0,0,1|1,0,0]=3 514 B12R1.11 CC(=O)c1cc(nc(c1)S[13CH3])C 62a_200025704644_100009884196 [0,1,0,0,0,1|1,0,0]=3 515 B12R1.11 COc1cc(cc(c1)C(=O)C)C 1458a_100000117910_200000210301 [0,1,0,0,0,1|2,0,0]=4 516 B12R1.11 COc1cc(cc(c1)C(=O)C)C 34a_100009855872_200000210301 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.11 COc1cc(cc(c1)C(=O)C)C 7a_100009855872_200000210301 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000117910_200025704644 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_100000694479_200000210301 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_200000210301_100000694479 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.11 CSc1cc(cc(n1)C)C(=O)C 62a_100009884196_200000210301 [0,1,0,0,0,1|1,0,0]=3 522 B12R1.11 CSc1cc(cc(n1)C)C(=O)C 62a_200000210301_100009884196 [0,1,0,0,0,1|1,0,0]=3 523 B12R1.358 CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210202 [0,1,0,0,0,1|2,0,0]=4 524 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 11a_106832991635_100000210874 [0,1,0,0,0,1|2,0,0]=4 525 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 1626a_100102657272_100000210874 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 240690a_100102657272_100000210874 [0,1,0,0,0,1|2,0,0]=4 527 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 527a_100102657272_100000210874 [0,1,0,0,0,1|2,0,0]=4 528 B12R1.358 COC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100000695393 [0,1,0,0,0,1|2,0,0]=4 529 B12R1.358 COC(=O)c1cc(nc(n1)O)C 271570a_203496583355_100000724386 [0,1,0,0,0,1|2,0,0]=4 530 B12R1.358 Cc1cc(cc(c1)C(=O)CF)C 1458a_100000210874_100015361967 [0,1,0,0,0,1|2,0,0]=4 531 B12R1.511 CC(=O)c1cc(cc(c1Br)C)C 1458a_200000701928_200000210301 [0,1,0,0,0,1|2,0,0]=4 532 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)C 1458a_200000701928_200025704644 [0,1,0,0,0,1|2,0,0]=4 533 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_200000210301 [0,1,0,0,0,1|2,0,0]=4 534 B12R1.1005 CC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_200000210301 [0,1,0,0,0,1|2,0,0]=4 535 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_200000210301 [0,1,0,0,0,1|2,0,0]=4 536 B12R1.1005 CC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_200000210301 [0,1,0,0,0,1|2,0,0]=4 537 B12R1.1005 CC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_200000210301 [0,1,0,0,0,1|2,0,0]=4 538 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [0,1,0,0,0,1|2,0,0]=4 539 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)[13CH3] 1458a_100000700660_200025704644 [0,1,0,0,0,1|2,0,0]=4 540 B12R1.1005 Cc1cc(cc(c1C)C)C(=O)[13CH3] 1458a_100000075298_200025704644 [0,1,0,0,0,1|2,0,0]=4 541 B12R1.1005 Cc1cc(cc(c1Cl)C)C(=O)[13CH3] 1458a_100000102532_200025704644 [0,1,0,0,0,1|2,0,0]=4 542 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)[13CH3] 1458a_100000741972_200025704644 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.1005 Cc1cc(cc(c1I)C)C(=O)[13CH3] 1458a_100010769667_200025704644 [0,1,0,0,0,1|2,0,0]=4 544 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [0,1,0,0,0,1|2,0,0]=4 545 B12R1.57 C=C(C)c1ccc(nc1CO)C 271570a_100000694244_100010074375 [0,1,0,0,0,1|2,0,0]=4 546 B12R1.57 C=C(C)c1ccc(nc1OC)C 271570a_100000694244_100010138632 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 34a_100000234885_200025704644 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])C 7a_100000234885_200025704644 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_100012353930_200025704644 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.57 CC(=O)c1ccc(cc1S[13CH3])C 62a_200025704644_100012353930 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.57 CNc1nc(ccc1C(=O)N)C 27a_100102657272_100000041523 [0,1,0,0,0,1|2,0,0]=4 552 B12R1.57 COc1cc(ccc1C(=O)C)C 1458a_100000217210_200000210301 [0,1,0,0,0,1|2,0,0]=4 553 B12R1.57 COc1cc(ccc1C(=O)C)C 34a_100000234885_200000210301 [0,1,0,0,0,1|2,0,0]=4 554 B12R1.57 COc1cc(ccc1C(=O)C)C 7a_100000234885_200000210301 [0,1,0,0,0,1|2,0,0]=4 555 B12R1.57 COc1cc(ccc1C(=O)[13CH3])C 1458a_100000217210_200025704644 [0,1,0,0,0,1|2,0,0]=4 556 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_100012353930_200000210301 [0,1,0,0,0,1|2,0,0]=4 557 B12R1.57 CSc1cc(ccc1C(=O)C)C 62a_200000210301_100012353930 [0,1,0,0,0,1|2,0,0]=4 558 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_100000041523_200000210301 [0,1,0,0,0,1|2,0,0]=4 559 B12R1.57 CSc1nc(ccc1C(=O)N)C 62a_200000210301_100000041523 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_100000041523_200025704644 [0,1,0,0,0,1|2,0,0]=4 561 B12R1.57 Cc1ccc(c(n1)S[13CH3])C(=O)N 62a_200025704644_100000041523 [0,1,0,0,0,1|2,0,0]=4 562 B12R1.232 CC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_200000210301 [0,1,0,0,0,1|2,0,0]=4 563 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.232 CC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_200000210301 [0,1,0,0,0,1|2,0,0]=4 565 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100012920494_200025704644 [0,1,0,0,0,1|2,0,0]=4 566 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,1,0,0,0,1|2,0,0]=4 567 B12R1.232 Cc1cc(c(cc1I)C(=O)[13CH3])C 1458a_100000723791_200025704644 [0,1,0,0,0,1|2,0,0]=4 568 B12R1.452 C=C(C)c1ccc(nc1C)CO 271570a_100000694244_100010114280 [0,1,0,0,0,1|2,0,0]=4 569 B12R1.452 C=C(C)c1ccc(nc1C)OC 271570a_100000694244_100000766551 [0,1,0,0,0,1|2,0,0]=4 570 B12R1.452 C=C(C)c1cnc(nc1C)OC 271570a_100000694244_100010152497 [0,1,0,0,0,1|2,0,0]=4 571 B12R1.452 C=C(C)c1cnc(nc1C)SC 271570a_100000694244_100015672207 [0,1,0,0,0,1|2,0,0]=4 572 B12R1.452 C=C(C)c1ncc(nc1C)OC 271570a_100000694244_200010730098 [0,1,0,0,0,1|2,0,0]=4 573 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 34a_100000702595_200025704644 [0,1,0,0,0,1|2,0,0]=4 574 B12R1.452 CC(=O)c1ccc(cc1C)O[13CH3] 7a_100000702595_200025704644 [0,1,0,0,0,1|2,0,0]=4 575 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_100012360112_200025704644 [0,1,0,0,0,1|2,0,0]=4 576 B12R1.452 CC(=O)c1ccc(cc1C)S[13CH3] 62a_200025704644_100012360112 [0,1,0,0,0,1|2,0,0]=4 577 B12R1.452 COc1ccc(c(c1)C)C(=O)C 1458a_100000763155_200000210301 [0,1,0,0,0,1|2,0,0]=4 578 B12R1.452 COc1ccc(c(c1)C)C(=O)C 34a_100000702595_200000210301 [0,1,0,0,0,1|2,0,0]=4 579 B12R1.452 COc1ccc(c(c1)C)C(=O)C 7a_100000702595_200000210301 [0,1,0,0,0,1|2,0,0]=4 580 B12R1.452 COc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000763155_200025704644 [0,1,0,0,0,1|2,0,0]=4 581 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 1458a_100012278374_200000210301 [0,1,0,0,0,1|2,0,0]=4 582 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_100012360112_200000210301 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.452 CSc1ccc(c(c1)C)C(=O)C 62a_200000210301_100012360112 [0,1,0,0,0,1|2,0,0]=4 584 B12R1.452 CSc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100012278374_200025704644 [0,1,0,0,0,1|2,0,0]=4 585 B12R1.1000 C=C(C)c1c(cc(nc1C)C)N 271570a_100000694244_100010261885 [0,1,0,0,0,1|2,0,0]=4 586 B12R1.1000 C=C(C)c1c(nc(nc1Cl)C)C 271570a_100000694244_200011356833 [0,1,0,0,0,1|2,0,0]=4 587 B12R1.1000 CC(=O)c1c(cc(cc1C)C)C 1458a_100000211658_200000210301 [0,1,0,0,0,1|2,0,0]=4 588 B12R1.1000 CC(=O)c1c(cc(cc1O)C)C 1458a_100011255216_200000210301 [0,1,0,0,0,1|2,0,0]=4 589 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)[13CH3])C 1458a_100000211658_200025704644 [0,1,0,0,0,1|2,0,0]=4 590 B12R1.1000 Cc1cc(c(c(c1)O)C(=O)[13CH3])C 1458a_100011255216_200025704644 [0,1,0,0,0,1|2,0,0]=4 591 B12R1.1703 CCC(=O)c1ccc(cc1C)C 1458a_100000211164_100000210202 [0,1,0,0,0,1|2,0,0]=4 592 B12R1.1703 CNC(=O)c1ccc(cc1C)C 11a_106832991635_100000211164 [0,1,0,0,0,1|2,0,0]=4 593 B12R1.1703 CNC(=O)c1ccc(cc1C)C 1626a_100102657272_100000211164 [0,1,0,0,0,1|2,0,0]=4 594 B12R1.1703 CNC(=O)c1ccc(cc1C)C 240690a_100102657272_100000211164 [0,1,0,0,0,1|2,0,0]=4 595 B12R1.1703 CNC(=O)c1ccc(cc1C)C 527a_100102657272_100000211164 [0,1,0,0,0,1|2,0,0]=4 596 B12R1.1703 COC(=O)c1ccc(nc1C)O 271570a_203496583355_100000692007 [0,1,0,0,0,1|2,0,0]=4 597 B12R1.1703 COC(=O)c1ccc(nc1O)C 271570a_203496583355_100000054099 [0,1,0,0,0,1|2,0,0]=4 598 B12R1.1703 COC(=O)c1ncc(nc1O)C 271570a_203496583355_100000099855 [0,1,0,0,0,1|2,0,0]=4 599 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CF 1458a_100000211164_100015361967 [0,1,0,0,0,1|2,0,0]=4 600 B12R1.46 C=C(C)c1cc(cnc1OC)C 271570a_100000694244_100012353929 [0,1,0,0,0,1|2,0,0]=4 601 B12R1.46 C=C(C)c1cc(ncc1CC)C 271570a_100000694244_100010291839 [0,1,0,0,0,1|2,0,0]=4 602 B12R1.46 C=C(C)c1cc(ncc1OC)C 271570a_100000694244_100010109759 [0,1,0,0,0,1|2,0,0]=4 603 B12R1.46 C=C(C)c1nc(ncc1CC)C 271570a_100000694244_200000069817 [0,1,0,0,0,1|2,0,0]=4 604 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,1,0,0,0,1|2,0,0]=4 605 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,1,0,0,0,1|2,0,0]=4 607 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,1,0,0,0,1|2,0,0]=4 608 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_100000118324_200025704644 [0,1,0,0,0,1|2,0,0]=4 609 B12R1.46 CC(=O)c1cc(cnc1S[13CH3])F 62a_200025704644_100000118324 [0,1,0,0,0,1|2,0,0]=4 610 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,1,0,0,0,1|2,0,0]=4 611 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,1,0,0,0,1|2,0,0]=4 613 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,1,0,0,0,1|2,0,0]=4 614 B12R1.46 COc1ncc(cc1C(=O)C)O 271570a_203496583355_100010135678 [0,1,0,0,0,1|2,0,0]=4 615 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,1,0,0,0,1|2,0,0]=4 617 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_100000118324_200000210301 [0,1,0,0,0,1|2,0,0]=4 618 B12R1.46 CSc1ncc(cc1C(=O)C)F 62a_200000210301_100000118324 [0,1,0,0,0,1|2,0,0]=4 619 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,1,0,0,0,1|2,0,0]=4 620 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,1,0,0,0,1|2,0,0]=4 622 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,1,0,0,0,1|2,0,0]=4 624 B12R1.354 COC(=O)c1cc(cnc1C)O 271570a_203496583355_100010180201 [0,1,0,0,0,1|2,0,0]=4 625 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.354 COC(=O)c1cc(ncc1C)O 271570a_203496583355_100009858526 [0,1,0,0,0,1|2,0,0]=4 627 B12R1.354 COC(=O)c1nc(cnc1C)O 271570a_203496583355_100010884432 [0,1,0,0,0,1|2,0,0]=4 628 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,1,0,0,0,1|2,0,0]=4 629 B12R1.453 C=C(C)c1cc(ncc1C)CO 271570a_100000694244_100010113723 [0,1,0,0,0,1|2,0,0]=4 630 B12R1.453 C=C(C)c1cc(ncc1C)OC 271570a_100000694244_100010068546 [0,1,0,0,0,1|2,0,0]=4 631 B12R1.453 C=C(C)c1nc(ncc1C)SC 271570a_100000694244_100000097195 [0,1,0,0,0,1|2,0,0]=4 632 B12R1.453 C=Cc1cnc(c(c1)C(=O)C)C 271570a_100011290941_100138557192 [0,1,0,0,0,1|1,0,1]=4 633 B12R1.453 C=Cc1ncc(c(n1)C(=O)C)C 271570a_100011290941_100010687370 [0,1,0,0,0,1|1,0,1]=4 634 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,1,0,0,0,1|2,0,0]=4 635 B12R1.453 CC(=O)c1cc(cnc1C)S[13CH3] 62a_100138557192_200025704644 [0,1,0,0,0,1|1,0,0]=3 636 B12R1.453 CC(=O)c1cc(cnc1C)S[13CH3] 62a_200025704644_100138557192 [0,1,0,0,0,1|1,0,0]=3 637 B12R1.453 CC(=O)c1cc(cnc1F)S[13CH3] 62a_100010254234_200025704644 [0,1,0,0,0,1|2,0,0]=4 638 B12R1.453 CC(=O)c1cc(cnc1F)S[13CH3] 62a_200025704644_100010254234 [0,1,0,0,0,1|2,0,0]=4 639 B12R1.453 CC(=O)c1cc(cnc1N)S[13CH3] 62a_100010173950_200025704644 [0,1,0,0,0,1|2,0,0]=4 640 B12R1.453 CC(=O)c1cc(cnc1N)S[13CH3] 62a_200025704644_100010173950 [0,1,0,0,0,1|2,0,0]=4 641 B12R1.453 CC(=O)c1cc(ncc1F)S[13CH3] 62a_100000697832_200025704644 [0,1,0,0,0,1|2,0,0]=4 642 B12R1.453 CC(=O)c1cc(ncc1F)S[13CH3] 62a_200025704644_100000697832 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.453 CC(=O)c1nc(ncc1C)S[13CH3] 62a_100010687370_200025704644 [0,1,0,0,0,1|1,0,0]=3 644 B12R1.453 CC(=O)c1nc(ncc1C)S[13CH3] 62a_200025704644_100010687370 [0,1,0,0,0,1|1,0,0]=3 645 B12R1.453 CNc1ncc(c(n1)C(=O)C)C 27a_100102657272_100010687370 [0,1,0,0,0,1|1,0,0]=3 646 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,1,0,0,0,1|2,0,0]=4 647 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.453 CSc1cc(c(cn1)F)C(=O)C 62a_100000697832_200000210301 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.453 CSc1cc(c(cn1)F)C(=O)C 62a_200000210301_100000697832 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,1,0,0,0,1|2,0,0]=4 651 B12R1.453 CSc1cnc(c(c1)C(=O)C)C 62a_100138557192_200000210301 [0,1,0,0,0,1|1,0,0]=3 652 B12R1.453 CSc1cnc(c(c1)C(=O)C)C 62a_200000210301_100138557192 [0,1,0,0,0,1|1,0,0]=3 653 B12R1.453 CSc1cnc(c(c1)C(=O)C)F 62a_100010254234_200000210301 [0,1,0,0,0,1|2,0,0]=4 654 B12R1.453 CSc1cnc(c(c1)C(=O)C)F 62a_200000210301_100010254234 [0,1,0,0,0,1|2,0,0]=4 655 B12R1.453 CSc1cnc(c(c1)C(=O)C)N 62a_100010173950_200000210301 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.453 CSc1cnc(c(c1)C(=O)C)N 62a_200000210301_100010173950 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.453 CSc1ncc(c(n1)C(=O)C)C 62a_100010687370_200000210301 [0,1,0,0,0,1|1,0,0]=3 658 B12R1.453 CSc1ncc(c(n1)C(=O)C)C 62a_200000210301_100010687370 [0,1,0,0,0,1|1,0,0]=3 659 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [0,1,0,0,0,1|2,0,0]=4 661 B12R1.65 CC(=Cc1sc(nc1CO)C)C 271570a_100102525489_100011103066 [0,1,0,0,0,1|1,0,0]=3 662 B12R1.65 Cc1nc(c(s1)SC(C)C)CO 62a_100000210206_100011103066 [0,1,0,0,0,1|1,0,1]=4 663 B12R1.65 Cc1nc(c(s1)SC(C)C)CO 62a_100011103066_100000210206 [0,1,0,0,0,1|1,0,1]=4 664 B12R1.532 C#CC(=O)Cc1sc(nc1Br)C 1458a_100000211873_100015664652 [0,1,0,0,0,1|1,0,1]=4 665 B12R1.532 C#CC(=O)Cc1sc(nc1C)C 1458a_100000211873_100000760948 [0,1,0,0,0,1|0,0,1]=3 666 B12R1.532 C#CC(C)Sc1sc(nc1C)C 62a_200000035995_100009814099 [0,1,0,0,0,1|1,0,1]=4 667 B12R1.532 C=CC(=O)Cc1sc(nc1Br)C 1458a_100000185746_100015664652 [0,1,0,0,0,1|1,0,1]=4 668 B12R1.532 C=CC(=O)Cc1sc(nc1C)C 1458a_100000185746_100000760948 [0,1,0,0,0,1|0,0,1]=3 669 B12R1.532 C=CC(C)Sc1sc(nc1C)C 62a_100011215867_100009814099 [0,1,0,0,0,1|1,0,1]=4 670 B12R1.532 CCC(=O)Cc1cc(nn1C)C 1458a_100000210414_100025716357 [0,1,0,0,0,1|2,0,0]=4 671 B12R1.532 CCC(=O)Cc1cc(nn1C)C 1458a_100132302298_100000210202 [0,1,0,0,0,1|2,0,0]=4 672 B12R1.532 CCC(=O)Cc1cn(nc1C)C 1458a_100000210414_100015186178 [0,1,0,0,0,1|2,0,0]=4 673 B12R1.532 CCC(=O)Cc1nc(sc1C)C 1458a_100000040699_100000210202 [0,1,0,0,0,1|2,0,0]=4 674 B12R1.532 CCC(=O)Cc1sc(nc1Br)C 1458a_100000210414_100015664652 [0,1,0,0,0,1|1,0,0]=3 675 B12R1.532 CCC(=O)Cc1sc(nc1C)C 1458a_100000210414_100000760948 [0,1,0,0,0,1|0,0,0]=2 676 B12R1.532 CCC(=O)Cc1sc(nc1C)C 1458a_100025788167_100000210202 [0,1,0,0,0,1|0,0,0]=2 677 B12R1.532 CCC(=O)Cn1nc(nc1C)C 1458a_100016993699_100000210202 [0,1,0,0,0,1|2,0,0]=4 678 B12R1.532 CCC(C)Sc1sc(nc1C)C 62a_100000758301_100009814099 [0,1,0,0,0,1|1,0,1]=4 679 B12R1.532 CCC(C)Sc1sc(nc1C)C 62a_100009814099_100000758301 [0,1,0,0,0,1|1,0,1]=4 680 B12R1.532 CCN(C)Cc1sc(nc1C)C 2230a_100000225621_100000760948 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.532 CCN(C)Cc1sc(nc1C)C 269982a_100000225621_100000760948 [0,1,0,0,0,1|2,0,0]=4 682 B12R1.532 CNC(=O)Cc1cc(nn1C)C 11a_106832991635_100132302298 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.532 CNC(=O)Cc1cc(nn1C)C 1626a_100102657272_100132302298 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.532 CNC(=O)Cc1cc(nn1C)C 240690a_100102657272_100132302298 [0,1,0,0,0,1|2,0,0]=4 685 B12R1.532 CNC(=O)Cc1cc(nn1C)C 527a_100102657272_100132302298 [0,1,0,0,0,1|2,0,0]=4 686 B12R1.532 CNC(=O)Cc1nc(sc1C)C 11a_106832991635_100000040699 [0,1,0,0,0,1|2,0,0]=4 687 B12R1.532 CNC(=O)Cc1nc(sc1C)C 1626a_100102657272_100000040699 [0,1,0,0,0,1|2,0,0]=4 688 B12R1.532 CNC(=O)Cc1nc(sc1C)C 240690a_100102657272_100000040699 [0,1,0,0,0,1|2,0,0]=4 689 B12R1.532 CNC(=O)Cc1nc(sc1C)C 527a_100102657272_100000040699 [0,1,0,0,0,1|2,0,0]=4 690 B12R1.532 CNC(=O)Cc1sc(nc1C)C 11a_106832991635_100025788167 [0,1,0,0,0,1|0,0,0]=2 691 B12R1.532 CNC(=O)Cc1sc(nc1C)C 1626a_100102657272_100025788167 [0,1,0,0,0,1|0,0,0]=2 692 B12R1.532 CNC(=O)Cc1sc(nc1C)C 240690a_100102657272_100025788167 [0,1,0,0,0,1|0,0,0]=2 693 B12R1.532 CNC(=O)Cc1sc(nc1C)C 527a_100102657272_100025788167 [0,1,0,0,0,1|0,0,0]=2 694 B12R1.532 CNC(=O)Cn1nc(nc1C)C 11a_106832991635_100016993699 [0,1,0,0,0,1|2,0,0]=4 695 B12R1.532 CNC(=O)Cn1nc(nc1C)C 1626a_100102657272_100016993699 [0,1,0,0,0,1|2,0,0]=4 696 B12R1.532 CNC(=O)Cn1nc(nc1C)C 240690a_100102657272_100016993699 [0,1,0,0,0,1|2,0,0]=4 697 B12R1.532 CNC(=O)Cn1nc(nc1C)C 527a_100102657272_100016993699 [0,1,0,0,0,1|2,0,0]=4 698 B12R1.532 COC(C)Sc1sc(nc1C)C 62a_100009814099_100009879195 [0,1,0,0,0,1|0,0,2]=4 699 B12R1.532 COC(C)Sc1sc(nc1C)C 62a_100009879195_100009814099 [0,1,0,0,0,1|0,0,2]=4 700 B12R1.532 Cc1cc(n(n1)C)CC(=O)CF 1458a_100132302298_100015361967 [0,1,0,0,0,1|2,0,0]=4 701 B12R1.532 Cc1cc(n(n1)C)CC(=O)CO 1458a_100000210174_100025716357 [0,1,0,0,0,1|2,0,0]=4 702 B12R1.532 Cc1nc(c(s1)C)CC(=O)CF 1458a_100000040699_100015361967 [0,1,0,0,0,1|2,0,0]=4 703 B12R1.532 Cc1nc(c(s1)CC(=O)CF)C 1458a_100025788167_100015361967 [0,1,0,0,0,1|0,0,0]=2 704 B12R1.532 Cc1nc(c(s1)CC(=O)CO)Br 1458a_100000210174_100015664652 [0,1,0,0,0,1|1,0,0]=3 705 B12R1.532 Cc1nc(c(s1)CC(=O)CO)C 1458a_100000210174_100000760948 [0,1,0,0,0,1|0,0,0]=2 706 B12R1.532 Cc1nc(c(s1)SC(C)C#N)C 62a_100000703298_100009814099 [0,1,0,0,0,1|1,0,1]=4 707 B12R1.532 Cc1nc(c(s1)SC(C)C#N)C 62a_100009814099_100000703298 [0,1,0,0,0,1|1,0,1]=4 708 B12R1.532 Cc1nc(c(s1)SC(C)CO)C 62a_100012180447_100009814099 [0,1,0,0,0,1|0,0,2]=4 709 B12R1.532 Cc1nc(c(s1)S[C@H](C)CO)C 62a_100009814099_100016084084 [0,1,0,0,0,1|0,0,2]=4 710 B12R1.532 Cc1nc(c(s1)S[C@H](C)CO)C 62a_100016084084_100009814099 [0,1,0,0,0,1|0,0,2]=4 711 B12R1.532 Cc1nc(n(n1)CC(=O)CF)C 1458a_100016993699_100015361967 [0,1,0,0,0,1|2,0,0]=4 712 B12R1.532 Cc1nn(cc1CC(=O)CO)C 1458a_100000210174_100015186178 [0,1,0,0,0,1|2,0,0]=4 713 B12R1.854 CC(=O)Cc1c(nn(c1C)C)C 1458a_100000240056_200000210301 [0,1,0,0,0,1|2,0,0]=4 714 B12R1.854 Cc1nn(c(c1CC(=O)[13CH3])C)C 1458a_100000240056_200025704644 [0,1,0,0,0,1|2,0,0]=4 715 B12R1.862 Cc1nc(c(s1)SC(C)(C)C)C 62a_100000211941_100009814099 [0,1,0,0,0,1|1,0,1]=4 716 B12R1.862 Cc1nc(c(s1)SC(C)(C)C)C 62a_100009814099_100000211941 [0,1,0,0,0,1|1,0,1]=4 717 B12R1.864 CC(=C(C)c1sc(cc1C)C)C 271570a_200000049429_100000689295 [0,1,0,0,0,1|2,0,0]=4 718 B12R1.864 CC(=C(C)c1sc(nc1C)C)C 271570a_200000049429_100009814099 [0,1,0,0,0,1|1,0,0]=3 719 B12R1.1852 CCc1nc(c(s1)C=C(C)C)C 271570a_100102525489_100010138847 [0,1,0,0,0,1|1,0,0]=3 720 B12R1.1852 CCc1nc(c(s1)SC(C)C)C 62a_100000210206_100010138847 [0,1,0,0,0,1|1,0,1]=4 721 B12R1.1852 CCc1nc(c(s1)SC(C)C)C 62a_100010138847_100000210206 [0,1,0,0,0,1|1,0,1]=4 722 B12R1.276 CC(=O)c1cc(nn1CCF)C 1458a_100010872361_200000210301 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.276 Cc1cc(n(n1)CCF)C(=O)[13CH3] 1458a_100010872361_200025704644 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.850 C=C(C)c1sc(nc1C(C)C)N 271570a_100000694244_100010209577 [0,2,0,0,0,0|2,0,0]=4 725 B12R1.850 CC(=O)c1cn(nc1C(F)F)C 1458a_100000692746_200000210301 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.850 Cn1cc(c(n1)C(F)F)C(=O)[13CH3] 1458a_100000692746_200025704644 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.1926 C=Cc1cc(sc1C(=O)OC)C 271570a_100011290941_100009817204 [0,2,0,0,0,0|1,0,1]=4 728 B12R1.1926 COC(=O)c1cc(sc1SC)C 62a_100009817063_200000210301 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.1926 COC(=O)c1cc(sc1SC)C 62a_200000210301_100009817063 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.1926 COC(=O)c1cc(sc1S[13CH3])C 62a_100009817063_200025704644 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.1926 COC(=O)c1cc(sc1S[13CH3])C 62a_200025704644_100009817063 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.1926 COC(=O)c1nc(sc1SC)C 62a_100000730370_200000210301 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.1926 COC(=O)c1nc(sc1SC)C 62a_200000210301_100000730370 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.1926 COC(=O)c1nc(sc1S[13CH3])C 62a_100000730370_200025704644 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.1926 COC(=O)c1nc(sc1S[13CH3])C 62a_200025704644_100000730370 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.1926 COC(=O)c1sc(cc1OC)C 34a_100000011496_200000210301 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.1926 COC(=O)c1sc(cc1OC)C 7a_100000011496_200000210301 [0,2,0,0,0,0|1,0,0]=3 738 B12R1.1926 COC(=O)c1sc(cc1OC)Cl 34a_100009884761_200000210301 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.1926 COC(=O)c1sc(cc1OC)Cl 7a_100009884761_200000210301 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.1926 COC(=O)c1sc(cc1O[13CH3])C 34a_100000011496_200025704644 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.1926 COC(=O)c1sc(cc1O[13CH3])C 7a_100000011496_200025704644 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.1926 COC(=O)c1sc(cc1O[13CH3])Cl 34a_100009884761_200025704644 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.1926 COC(=O)c1sc(cc1O[13CH3])Cl 7a_100009884761_200025704644 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.1926 COC(=O)c1sc(cc1SC)C 62a_100009817204_200000210301 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.1926 COC(=O)c1sc(cc1SC)C 62a_200000210301_100009817204 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.1926 COC(=O)c1sc(cc1S[13CH3])C 62a_100009817204_200025704644 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.1926 COC(=O)c1sc(cc1S[13CH3])C 62a_200025704644_100009817204 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.111 C=C(C)c1nc(c(s1)C(=O)C)C 271570a_100000694244_100010106820 [0,2,0,0,0,0|0,0,0]=2 749 B12R1.111 C=C(C)c1sc(cc1C)C(=O)C 271570a_100000694244_100000729792 [0,2,0,0,0,0|2,0,0]=4 750 B12R1.111 CC(=O)c1cc(nn1C)C(F)F 1458a_100000097440_200000210301 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.111 CC(=O)c1sc(nc1C)N(C)C 27a_100102631434_100010106820 [0,2,0,0,0,0|0,0,0]=2 752 B12R1.111 Cn1nc(cc1C(=O)[13CH3])C(F)F 1458a_100000097440_200025704644 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.277 C=C=Cc1nc(c(s1)C(=O)C)C 271570a_100015277604_100010106820 [0,2,0,0,0,0|0,0,1]=3 754 B12R1.277 CC(=O)c1sc(nc1C)SCF 62a_100010106820_100015361967 [0,2,0,0,0,0|0,0,0]=2 755 B12R1.277 CC(=O)c1sc(nc1C)SCF 62a_100015361967_100010106820 [0,2,0,0,0,0|0,0,0]=2 756 B12R1.277 CC=Cc1nc(c(s1)C(=O)C)C 271570a_100016259895_100010106820 [0,2,0,0,0,0|0,0,0]=2 757 B12R1.277 CCNc1nc(c(s1)C(=O)C)C 27a_100015525214_100010106820 [0,2,0,0,0,0|0,0,0]=2 758 B12R1.277 CCSc1nc(c(s1)C(=O)C)C 62a_100000210202_100010106820 [0,2,0,0,0,0|0,0,0]=2 759 B12R1.277 CCSc1nc(c(s1)C(=O)C)C 62a_100010106820_100000210202 [0,2,0,0,0,0|0,0,0]=2 760 B12R1.608 C=Cc1nc(c(s1)C(=O)OC)C 271570a_100011290941_100010220626 [0,2,0,0,0,0|0,0,1]=3 761 B12R1.608 CNc1nc(c(s1)C(=O)OC)C 27a_100102657272_100010220626 [0,2,0,0,0,0|0,0,0]=2 762 B12R1.608 COC(=O)c1cc(nn1C)SC 62a_100014069049_200000210301 [0,2,0,0,0,0|2,0,0]=4 763 B12R1.608 COC(=O)c1cc(nn1C)SC 62a_200000210301_100014069049 [0,2,0,0,0,0|2,0,0]=4 764 B12R1.608 COC(=O)c1cc(nn1C)S[13CH3] 62a_100014069049_200025704644 [0,2,0,0,0,0|2,0,0]=4 765 B12R1.608 COC(=O)c1cc(nn1C)S[13CH3] 62a_200025704644_100014069049 [0,2,0,0,0,0|2,0,0]=4 766 B12R1.608 COC(=O)c1cc(sc1C)SC 62a_100010187159_200000210301 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.608 COC(=O)c1cc(sc1C)SC 62a_200000210301_100010187159 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.608 COC(=O)c1cc(sc1C)S[13CH3] 62a_100010187159_200025704644 [0,2,0,0,0,0|2,0,0]=4 769 B12R1.608 COC(=O)c1cc(sc1C)S[13CH3] 62a_200025704644_100010187159 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.608 COC(=O)c1nc(sc1C)SC 62a_100000719214_200000210301 [0,2,0,0,0,0|2,0,0]=4 771 B12R1.608 COC(=O)c1nc(sc1C)SC 62a_200000210301_100000719214 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.608 COC(=O)c1nc(sc1C)S[13CH3] 62a_100000719214_200025704644 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.608 COC(=O)c1nc(sc1C)S[13CH3] 62a_200025704644_100000719214 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.608 COC(=O)c1oc(cc1C)SC 62a_200000210301_100000737583 [0,2,0,0,0,0|1,1,0]=4 775 B12R1.608 COC(=O)c1oc(cc1C)S[13CH3] 62a_200025704644_100000737583 [0,2,0,0,0,0|1,1,0]=4 776 B12R1.608 COC(=O)c1sc(cc1F)SC 62a_100010734428_200000210301 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.608 COC(=O)c1sc(cc1F)SC 62a_200000210301_100010734428 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.608 COC(=O)c1sc(cc1F)S[13CH3] 62a_100010734428_200025704644 [0,2,0,0,0,0|2,0,0]=4 779 B12R1.608 COC(=O)c1sc(cc1F)S[13CH3] 62a_200025704644_100010734428 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.608 COC(=O)c1sc(nc1C)SC 62a_100010220626_200000210301 [0,2,0,0,0,0|0,0,0]=2 781 B12R1.608 COC(=O)c1sc(nc1C)SC 62a_200000210301_100010220626 [0,2,0,0,0,0|0,0,0]=2 782 B12R1.608 COC(=O)c1sc(nc1C)S[13CH3] 62a_100010220626_200025704644 [0,2,0,0,0,0|0,0,0]=2 783 B12R1.608 COC(=O)c1sc(nc1C)S[13CH3] 62a_200025704644_100010220626 [0,2,0,0,0,0|0,0,0]=2 784 B12R1.201 CNS(=O)(=O)c1sc(nc1C)C 270084a_100102657272_100000040667 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.201 CNS(=O)(=O)c1sc(nc1C)C 274078a_100102657272_100000040667 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.201 CNS(=O)(=O)c1sc(nc1C)Cl 270084a_100102657272_100000737924 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.201 CNS(=O)(=O)c1sc(nc1C)Cl 274078a_100102657272_100000737924 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.313 CCOC(=O)c1[nH]c(nc1C)O 271570a_203496583355_100000700896 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.313 CCOC(=O)c1sc(nc1C)O 271570a_203496583355_100000689613 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.313 CNCC(=O)c1cc(nn1C)C 34a_100102657272_100012354424 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.313 CNCC(=O)c1cc(nn1C)C 7a_106832991635_100012354424 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.313 CNCC(=O)c1cc(sc1C)C 2230a_106832991635_100000199015 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.313 CNCC(=O)c1cc(sc1C)C 34a_100102657272_100000199015 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.313 CNCC(=O)c1cc(sc1C)C 7a_106832991635_100000199015 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.313 COCC(=O)c1cc(nn1C)C 34a_100138415774_100012354424 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.313 COCC(=O)c1cc(sc1C)C 34a_100138415774_100000199015 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.313 CSCC(=O)c1cc(nn1C)C 62a_100012354424_200000210301 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.313 CSCC(=O)c1cc(nn1C)C 62a_200000210301_100012354424 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.313 CSCC(=O)c1cc(sc1C)C 62a_100000199015_200000210301 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.313 CSCC(=O)c1cc(sc1C)C 62a_200000210301_100000199015 [0,2,0,0,0,0|2,0,0]=4 801 B12R1.313 Cc1cc(c(s1)C)C(=O)CS[13CH3] 62a_100000199015_200025704644 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.313 Cc1cc(c(s1)C)C(=O)CS[13CH3] 62a_200025704644_100000199015 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.313 Cc1cc(n(n1)C)C(=O)CS[13CH3] 62a_100012354424_200025704644 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.313 Cc1cc(n(n1)C)C(=O)CS[13CH3] 62a_200025704644_100012354424 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.3443 COC(=O)c1c(c(nn1C)C)O 271570a_203496583355_100009815405 [0,2,0,0,0,0|2,0,0]=4 806 B10R1.187 CC=Cc1c(n[nH]c1C)C 271570a_100016259895_100000238710 [0,0,1,1,0,0|2,0,0]=4 807 B10R1.187 CC=Cc1c(noc1C)C 271570a_100016259895_100000694658 [0,0,1,1,0,0|1,0,1]=4 808 B10R1.187 CCSc1c(n[nH]c1C)C 62a_100000210202_100000238710 [0,0,1,1,0,0|1,0,1]=4 809 B10R1.187 CCSc1c(n[nH]c1C)C 62a_100000238710_100000210202 [0,0,1,1,0,0|1,0,1]=4 810 B10R1.187 CCSc1c(noc1C)C 62a_100000210202_100000694658 [0,0,1,1,0,0|0,0,2]=4 811 B10R1.187 CCSc1c(noc1C)C 62a_100000694658_100000210202 [0,0,1,1,0,0|0,0,2]=4 812 B10R1.54 CC(=Cc1csc(n1)C)C 271570a_100102525489_100011934587 [0,0,1,1,0,0|1,0,1]=4 813 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000070787_100015186478 [0,0,1,1,0,0|0,0,2]=4 814 B10R1.54 CC(=O)Cc1csc(n1)C 1458a_100000184407_200000210301 [0,0,1,1,0,0|0,0,2]=4 815 B10R1.54 Cc1nc(cs1)CC(=O)[13CH3] 1458a_100000184407_200025704644 [0,0,1,1,0,0|0,0,2]=4 816 B10R2.14 Cc1ncc(s1)C2CC2 271570a_100011220607_100000764884 [1,0,0,1,0,0|1,0,1]=4 817 B10R2.21 Cc1ncsc1C2CC2 271570a_100011220607_100009817116 [1,0,0,1,0,0|1,0,1]=4 818 B12R2.132 O=C1CCc2c1cc(cn2)O 271570a_203496583355_100010174022 [0,0,0,1,0,1|2,0,0]=4 819 B12R2.606 Cc1nc2c(s1)CN(CC2)C 2230a_100102946650_200000210301 [0,0,0,1,0,1|2,0,0]=4 820 B12R2.606 Cc1nc2c(s1)CN(CC2)C 269982a_100102946650_200000210301 [0,0,0,1,0,1|2,0,0]=4 821 B12R2.606 Cc1nc2c(s1)CN(CC2)[13CH3] 2230a_100102946650_200025704644 [0,0,0,1,0,1|2,0,0]=4 822 B12R2.606 Cc1nc2c(s1)CN(CC2)[13CH3] 269982a_100102946650_200025704644 [0,0,0,1,0,1|2,0,0]=4 823 B12R2.2310 Cc1nc(c(s1)SC2CC2)C 62a_100009814099_100000211595 [0,0,0,1,0,1|1,0,1]=4 824 B12R2.202 O=C1CCCc2c1sc(n2)O 271570a_203496583355_100010177431 [0,1,0,1,0,0|1,0,0]=3 825 B12R2.202 O=C1NCCc2c1sc(n2)O 271570a_203496583355_200010191850 [0,1,0,1,0,0|1,0,0]=3 826 B12R2.1671 Cc1nc(c(s1)C2CC2)CO 271570a_100011220607_100011103066 [0,1,0,1,0,0|1,0,1]=4 827 B12R2.2098 CCc1nc(c(s1)C2CC2)C 271570a_100011220607_100010138847 [0,1,0,1,0,0|1,0,1]=4 828 B10R1.8 C=Cc1cc(nc(c1)C)C 271570a_100011290941_100009816552 [1,0,0,0,0,1|1,0,1]=4 829 B10R1.8 C=Cc1cc(nc(n1)C)C 271570a_100011290941_100000736142 [1,0,0,0,0,1|1,0,1]=4 830 B10R1.8 C=Cc1nc(nc(n1)C)C 271570a_100011290941_100015468570 [1,0,0,0,0,1|1,0,1]=4 831 B10R1.8 CNc1cc(nc(c1)C)C 27a_100102657272_100000066820 [1,0,0,0,0,1|2,0,0]=4 832 B10R1.8 CNc1cc(nc(n1)C)C 27a_100102657272_100000736142 [1,0,0,0,0,1|2,0,0]=4 833 B10R1.8 CNc1nc(nc(n1)C)C 27a_100102657272_100015468570 [1,0,0,0,0,1|2,0,0]=4 834 B10R1.8 CSc1cc(nc(c1)C)C 62a_100000066820_200000210301 [1,0,0,0,0,1|2,0,0]=4 835 B10R1.8 CSc1cc(nc(c1)C)C 62a_200000210301_100000066820 [1,0,0,0,0,1|2,0,0]=4 836 B10R1.8 CSc1cc(nc(n1)C)C 62a_100000736142_200000210301 [1,0,0,0,0,1|2,0,0]=4 837 B10R1.8 CSc1cc(nc(n1)C)C 62a_200000210301_100000736142 [1,0,0,0,0,1|2,0,0]=4 838 B10R1.8 CSc1nc(nc(n1)C)C 62a_100015468570_200000210301 [1,0,0,0,0,1|2,0,0]=4 839 B10R1.8 CSc1nc(nc(n1)C)C 62a_200000210301_100015468570 [1,0,0,0,0,1|2,0,0]=4 840 B10R1.8 Cc1cc(cc(n1)C)S[13CH3] 62a_100000066820_200025704644 [1,0,0,0,0,1|2,0,0]=4 841 B10R1.8 Cc1cc(cc(n1)C)S[13CH3] 62a_200025704644_100000066820 [1,0,0,0,0,1|2,0,0]=4 842 B10R1.8 Cc1cc(nc(n1)C)S[13CH3] 62a_100000736142_200025704644 [1,0,0,0,0,1|2,0,0]=4 843 B10R1.8 Cc1cc(nc(n1)C)S[13CH3] 62a_200025704644_100000736142 [1,0,0,0,0,1|2,0,0]=4 844 B10R1.8 Cc1nc(nc(n1)S[13CH3])C 62a_100015468570_200025704644 [1,0,0,0,0,1|2,0,0]=4 845 B10R1.8 Cc1nc(nc(n1)S[13CH3])C 62a_200025704644_100015468570 [1,0,0,0,0,1|2,0,0]=4 846 B10R1.25 C=Cc1ccc(nc1C)C 271570a_100011290941_100009813853 [1,0,0,0,0,1|1,0,1]=4 847 B10R1.25 C=Cc1ncc(nc1C)C 271570a_100011290941_100000065684 [1,0,0,0,0,1|1,0,1]=4 848 B10R1.25 COc1ccc(nc1C)C 34a_100011218912_200000210301 [1,0,0,0,0,1|2,0,0]=4 849 B10R1.25 COc1ccc(nc1C)C 7a_100011218912_200000210301 [1,0,0,0,0,1|2,0,0]=4 850 B10R1.25 COc1cnc(nc1C)C 34a_100009864123_200000210301 [1,0,0,0,0,1|2,0,0]=4 851 B10R1.25 COc1cnc(nc1C)C 7a_100009864123_200000210301 [1,0,0,0,0,1|2,0,0]=4 852 B10R1.25 CSc1ccc(nc1C)C 62a_100009813853_200000210301 [1,0,0,0,0,1|2,0,0]=4 853 B10R1.25 CSc1ccc(nc1C)C 62a_200000210301_100009813853 [1,0,0,0,0,1|2,0,0]=4 854 B10R1.25 CSc1ncc(nc1C)C 62a_100000065684_200000210301 [1,0,0,0,0,1|2,0,0]=4 855 B10R1.25 CSc1ncc(nc1C)C 62a_200000210301_100000065684 [1,0,0,0,0,1|2,0,0]=4 856 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 34a_100011218912_200025704644 [1,0,0,0,0,1|2,0,0]=4 857 B10R1.25 Cc1ccc(c(n1)C)O[13CH3] 7a_100011218912_200025704644 [1,0,0,0,0,1|2,0,0]=4 858 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_100009813853_200025704644 [1,0,0,0,0,1|2,0,0]=4 859 B10R1.25 Cc1ccc(c(n1)C)S[13CH3] 62a_200025704644_100009813853 [1,0,0,0,0,1|2,0,0]=4 860 B10R1.25 Cc1ccc(c(n1)O)C=O 271570a_203496583355_100000085379 [1,0,0,0,0,1|2,0,0]=4 861 B10R1.25 Cc1cnc(c(n1)C)S[13CH3] 62a_100000065684_200025704644 [1,0,0,0,0,1|2,0,0]=4 862 B10R1.25 Cc1cnc(c(n1)C)S[13CH3] 62a_200025704644_100000065684 [1,0,0,0,0,1|2,0,0]=4 863 B10R1.25 Cc1nc(ccc1C=O)O 271570a_203496583355_100000050599 [1,0,0,0,0,1|2,0,0]=4 864 B10R1.25 Cc1ncc(c(n1)C)O[13CH3] 34a_100009864123_200025704644 [1,0,0,0,0,1|2,0,0]=4 865 B10R1.25 Cc1ncc(c(n1)C)O[13CH3] 7a_100009864123_200025704644 [1,0,0,0,0,1|2,0,0]=4 866 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,0,0,0,0,1|2,0,0]=4 867 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [1,0,0,0,0,1|2,0,0]=4 868 B10R1.13 C=C(C)c1cnc(nc1)C 271570a_100000694244_100000686985 [1,0,0,0,0,1|2,0,0]=4 869 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,1|2,0,0]=4 870 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,1|2,0,0]=4 871 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,0,0,0,0,1|2,0,0]=4 872 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,0,0,0,0,1|2,0,0]=4 873 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,1|2,0,0]=4 874 B12R1.101 CC(=Cc1cc(nc(c1)C)C)C 271570a_100102525489_100009816552 [0,0,0,0,0,2|2,0,0]=4 875 B12R1.101 CC(=Cc1cc(nc(n1)C)C)C 271570a_100102525489_100000736142 [0,0,0,0,0,2|2,0,0]=4 876 B12R1.101 CC(=Cc1nc(nc(n1)C)C)C 271570a_100102525489_100015468570 [0,0,0,0,0,2|2,0,0]=4 877 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100000070787_100000181317 [0,0,0,0,0,2|2,0,0]=4 878 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_200000210301 [0,0,0,0,0,2|2,0,0]=4 879 B12R1.101 CC(=O)Cc1cc(cc(n1)C)C 1458a_100000070787_100012357514 [0,0,0,0,0,2|2,0,0]=4 880 B12R1.101 CC(=O)Cc1cc(nc(c1)C)C 1458a_100000070787_200000139866 [0,0,0,0,0,2|1,0,0]=3 881 B12R1.101 CC(=O)Cc1nc(cc(n1)C)C 1458a_100000070787_100011935097 [0,0,0,0,0,2|2,0,0]=4 882 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 11a_100000210930_100015343762 [0,0,0,0,0,2|2,0,0]=4 883 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100015343762 [0,0,0,0,0,2|2,0,0]=4 884 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000070787 [0,0,0,0,0,2|2,0,0]=4 885 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 527a_100000210930_100103153847 [0,0,0,0,0,2|2,0,0]=4 886 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])C 1458a_100011202310_200025704644 [0,0,0,0,0,2|2,0,0]=4 887 B12R1.233 CC(=Cc1ccc(nc1C)C)C 271570a_100102525489_100009813853 [0,0,0,0,0,2|2,0,0]=4 888 B12R1.233 CC(=Cc1ncc(nc1C)C)C 271570a_100102525489_100000065684 [0,0,0,0,0,2|2,0,0]=4 889 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100000070787_100011219618 [0,0,0,0,0,2|2,0,0]=4 890 B12R1.233 CC(=O)Cc1ccc(cc1C)C 1458a_100011236500_200000210301 [0,0,0,0,0,2|2,0,0]=4 891 B12R1.233 CC(=O)Cc1ccc(nc1Br)C 1458a_100000070787_200010064658 [0,0,0,0,0,2|2,0,0]=4 892 B12R1.233 CC(=O)Cc1ncc(cc1C)C 1458a_100000070787_100016990036 [0,0,0,0,0,2|2,0,0]=4 893 B12R1.233 CC(=O)Nc1ccc(cc1C)C 11a_100000736561_100015343762 [0,0,0,0,0,2|2,0,0]=4 894 B12R1.233 CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100015343762 [0,0,0,0,0,2|2,0,0]=4 895 B12R1.233 CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000070787 [0,0,0,0,0,2|2,0,0]=4 896 B12R1.233 CC(=O)Nc1ccc(cc1C)C 527a_100000736561_100103153847 [0,0,0,0,0,2|2,0,0]=4 897 B12R1.233 Cc1ccc(c(c1)C)CC(=O)[13CH3] 1458a_100011236500_200025704644 [0,0,0,0,0,2|2,0,0]=4 898 B12R1.127 CC(=Cc1cc(cnc1C)C)C 271570a_100102525489_100009817436 [0,0,0,0,0,2|2,0,0]=4 899 B12R1.127 CC(=Cc1cc(ncc1C)C)C 271570a_100102525489_100009862788 [0,0,0,0,0,2|2,0,0]=4 900 B12R1.127 CC(=Cc1nc(cnc1C)C)C 271570a_100102525489_100000211308 [0,0,0,0,0,2|2,0,0]=4 901 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,0,0,0,0,2|2,0,0]=4 902 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,0,0,0,0,2|2,0,0]=4 903 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,0,0,0,0,2|2,0,0]=4 904 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,0,0,0,0,2|2,0,0]=4 905 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,0,0,0,0,2|2,0,0]=4 906 B12R1.127 CC(=O)Nc1cc(cnc1C)O 271570a_203496583355_100010117071 [0,0,0,0,0,2|2,0,0]=4 907 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,0,0,0,0,2|2,0,0]=4 908 B12R1.861 C=C(C)CSc1sc(cc1C)C 62a_100000689295_100000211660 [0,0,0,0,0,2|2,0,0]=4 909 B12R1.861 C=C(C)CSc1sc(cc1C)C 62a_100000748629_100000689295 [0,0,0,0,0,2|2,0,0]=4 910 B12R1.861 C=C(C)CSc1sc(nc1C)C 62a_100000748629_100009814099 [0,0,0,0,0,2|1,0,0]=3 911 B12R1.861 C=C(C)CSc1sc(nc1C)C 62a_100009814099_100000211660 [0,0,0,0,0,2|1,0,0]=3 912 B12R1.861 C=C(C)CSc1sc(nc1C)N 62a_100000748629_100159269596 [0,0,0,0,0,2|2,0,0]=4 913 B12R1.861 C=C(C)CSc1sc(nc1C)N 62a_100159269596_100000211660 [0,0,0,0,0,2|2,0,0]=4 914 B12R1.861 C=C(F)CSc1sc(nc1C)C 62a_100000042424_100009814099 [0,0,0,0,0,2|1,0,1]=4 915 B12R1.861 C=C(F)CSc1sc(nc1C)C 62a_100009814099_100000042424 [0,0,0,0,0,2|1,0,1]=4 916 B12R1.861 CC(=O)CCn1nc(nc1C)C 1458a_100000740236_200000210301 [0,0,0,0,0,2|2,0,0]=4 917 B12R1.861 CC(=O)NCc1cc(nn1C)C 11a_100000238769_100015343762 [0,0,0,0,0,2|2,0,0]=4 918 B12R1.861 CC(=O)NCc1cc(nn1C)C 240690a_100000238769_100015343762 [0,0,0,0,0,2|2,0,0]=4 919 B12R1.861 CC(=O)NCc1cc(nn1C)C 527a_100000238769_100103153847 [0,0,0,0,0,2|2,0,0]=4 920 B12R1.861 CC(=O)NCc1cn(nc1C)C 11a_100000700070_100015343762 [0,0,0,0,0,2|2,0,0]=4 921 B12R1.861 CC(=O)NCc1cn(nc1C)C 240690a_100000700070_100015343762 [0,0,0,0,0,2|2,0,0]=4 922 B12R1.861 CC(=O)NCc1cn(nc1C)C 527a_100000700070_100103153847 [0,0,0,0,0,2|2,0,0]=4 923 B12R1.861 CC(=O)NCc1sc(nc1C)C 11a_100000761763_100015343762 [0,0,0,0,0,2|0,0,0]=2 924 B12R1.861 CC(=O)NCc1sc(nc1C)C 1626a_100000761763_100015343762 [0,0,0,0,0,2|0,0,0]=2 925 B12R1.861 CC(=O)NCc1sc(nc1C)C 240690a_100000761763_100015343762 [0,0,0,0,0,2|0,0,0]=2 926 B12R1.861 CC(=O)NCc1sc(nc1C)C 527a_100000761763_100103153847 [0,0,0,0,0,2|0,0,0]=2 927 B12R1.861 Cc1cc(c(s1)SCC(=O)N)C 62a_100000689295_100000747473 [0,0,0,0,0,2|2,0,0]=4 928 B12R1.861 Cc1cc(c(s1)SCC(=O)N)C 62a_100000747473_100000689295 [0,0,0,0,0,2|2,0,0]=4 929 B12R1.861 Cc1cc(c(s1)SCC(=O)[O-])C 62a_100000689295_100020667443 [0,0,0,0,0,2|2,0,0]=4 930 B12R1.861 Cc1cc(c(s1)SCC(=O)[O-])C 62a_100020667443_100000689295 [0,0,0,0,0,2|2,0,0]=4 931 B12R1.861 Cc1nc(c(s1)C=CC(C)C)C 271570a_100016257149_100009814099 [0,0,0,0,0,2|1,0,1]=4 932 B12R1.861 Cc1nc(c(s1)C=CC(C)O)C 271570a_200011019289_100009814099 [0,0,0,0,0,2|0,0,2]=4 933 B12R1.861 Cc1nc(c(s1)CNC(C)C)C 207a_100138425928_100000757988 [0,0,0,0,0,2|1,0,1]=4 934 B12R1.861 Cc1nc(c(s1)CNC(C)C)C 2230a_100000761763_100000210206 [0,0,0,0,0,2|1,0,1]=4 935 B12R1.861 Cc1nc(c(s1)CNC(C)C)C 2230a_100138425928_100000760948 [0,0,0,0,0,2|1,0,1]=4 936 B12R1.861 Cc1nc(c(s1)CNC(C)C)C 34a_100138425928_100000760948 [0,0,0,0,0,2|1,0,1]=4 937 B12R1.861 Cc1nc(c(s1)COC(C)C)C 34a_100000212225_100000760948 [0,0,0,0,0,2|1,0,1]=4 938 B12R1.861 Cc1nc(c(s1)COC(C)C)C 34a_100000750043_100000210206 [0,0,0,0,0,2|1,0,1]=4 939 B12R1.861 Cc1nc(c(s1)COC(C)C)C 7a_100000750043_100000210206 [0,0,0,0,0,2|1,0,1]=4 940 B12R1.861 Cc1nc(c(s1)CSC(C)C)C 62a_100000210206_100000760948 [0,0,0,0,0,2|1,0,1]=4 941 B12R1.861 Cc1nc(c(s1)CSC(C)C)C 62a_100000760948_100000210206 [0,0,0,0,0,2|1,0,1]=4 942 B12R1.861 Cc1nc(c(s1)SCC(=O)N)C 62a_100000747473_100009814099 [0,0,0,0,0,2|1,0,0]=3 943 B12R1.861 Cc1nc(c(s1)SCC(=O)N)C 62a_100009814099_100000747473 [0,0,0,0,0,2|1,0,0]=3 944 B12R1.861 Cc1nc(c(s1)SCC(=O)[O-])C 62a_100009814099_100020667443 [0,0,0,0,0,2|1,0,0]=3 945 B12R1.861 Cc1nc(c(s1)SCC(=O)[O-])C 62a_100020667443_100009814099 [0,0,0,0,0,2|1,0,0]=3 946 B12R1.861 Cc1nc(c(s1)SCC(C)C)C 62a_100000210624_100009814099 [0,0,0,0,0,2|1,0,1]=4 947 B12R1.861 Cc1nc(c(s1)SCC(C)C)C 62a_100009814099_100000210760 [0,0,0,0,0,2|1,0,1]=4 948 B12R1.861 Cc1nc(c(s1)SCC(C)O)C 62a_100009814099_100011218427 [0,0,0,0,0,2|0,0,2]=4 949 B12R1.861 Cc1nc(c(s1)SCC(C)O)C 62a_100011218427_100009814099 [0,0,0,0,0,2|0,0,2]=4 950 B12R1.861 Cc1nc(c(s1)SC[C@@H](C)O)C 62a_100009814099_100009817552 [0,0,0,0,0,2|0,0,2]=4 951 B12R1.861 Cc1nc(c(s1)SC[C@@H](C)O)C 62a_100009817552_100009814099 [0,0,0,0,0,2|0,0,2]=4 952 B12R1.861 Cc1nc(c(s1)SC[N+](=O)[O-])C 62a_100009814099_100000761209 [0,0,0,0,0,2|2,0,0]=4 953 B12R1.861 Cc1nc(n(n1)CCC(=O)[13CH3])C 1458a_100000740236_200025704644 [0,0,0,0,0,2|2,0,0]=4 954 B12R1.861 Cc1nc(sc1SCC(=O)N)N 62a_100000747473_100159269596 [0,0,0,0,0,2|2,0,0]=4 955 B12R1.861 Cc1nc(sc1SCC(=O)N)N 62a_100159269596_100000747473 [0,0,0,0,0,2|2,0,0]=4 956 B12R1.861 Cc1nc(sc1SCC(=O)[O-])N 62a_100020667443_100159269596 [0,0,0,0,0,2|2,0,0]=4 957 B12R1.861 Cc1nc(sc1SCC(=O)[O-])N 62a_100159269596_100020667443 [0,0,0,0,0,2|2,0,0]=4