0 B17R2.219 C=C(c1ccccc1)c2c[nH]c(=O)c(c2)Br 271570a_100000068269_100010125443 [0,0,0,0,0,0|2,0,2]=4 1 B17R2.219 C=C(c1ccccc1)c2c[nH]c(=O)c(c2)F 271570a_100000068269_100000723523 [0,0,0,0,0,0|2,0,2]=4 2 B17R2.219 C=C(c1ccccc1)c2c[nH]c(=O)c(c2)O 271570a_100000068269_100009814561 [0,0,0,0,0,0|1,0,2]=3 3 B17R2.219 C=C(c1ccccc1)c2cc(c(=O)[nH]n2)C 271570a_100000068269_100012187101 [0,0,0,0,0,0|1,0,2]=3 4 B17R2.219 C=C(c1ccccc1)c2cc(c(=O)[nH]n2)N 271570a_100000068269_100000102183 [0,0,0,0,0,0|1,0,2]=3 5 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)C)O 271570a_100000068269_100000704368 [0,0,0,0,0,0|2,0,2]=4 6 B17R2.219 C=C(c1ccccc1)c2cc(c(cn2)F)O 271570a_100000068269_100009854642 [0,0,0,0,0,0|2,0,2]=4 7 B16R2.120 C=C(c1ccccc1)c2ccc(=O)[nH]c2 271570a_100000068269_100000212171 [1,0,0,0,0,0|1,0,2]=4 8 B16R2.120 C=C(c1ccccc1)c2ccc(=O)[nH]n2 271570a_100000068269_100009820020 [1,0,0,0,0,0|0,0,2]=3 9 B16R2.124 Cc1cc(n[nH]c1=O)Sc2ccccc2 62a_100000719477_100012187101 [1,0,0,0,0,0|2,0,0]=3 10 B16R2.124 Cc1cc(n[nH]c1=O)Sc2ccccn2 62a_100011216584_100012187101 [1,0,0,0,0,0|3,0,0]=4 11 B16R2.124 Cc1cc(n[nH]c1=O)Sc2cccnc2 62a_100000210063_100012187101 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.124 Cc1cc(n[nH]c1=O)Sc2ccncc2 62a_100000728582_100012187101 [1,0,0,0,0,0|3,0,0]=4 13 B16R2.124 Cc1cnc(cc1O)Sc2ccccc2 62a_100000704368_100000041952 [1,0,0,0,0,0|3,0,0]=4 14 B16R2.124 Cc1cnc(cc1O)Sc2ccccc2 62a_100000719477_100000704368 [1,0,0,0,0,0|3,0,0]=4 15 B16R2.124 Nc1cc(n[nH]c1=O)Sc2ccccc2 62a_100000719477_100000102183 [1,0,0,0,0,0|2,0,0]=3 16 B16R2.124 Nc1cc(n[nH]c1=O)Sc2ccccn2 62a_100011216584_100000102183 [1,0,0,0,0,0|3,0,0]=4 17 B16R2.124 Nc1cc(n[nH]c1=O)Sc2cccnc2 62a_100000210063_100000102183 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.124 Nc1cc(n[nH]c1=O)Sc2ccncc2 62a_100000728582_100000102183 [1,0,0,0,0,0|3,0,0]=4 19 B16R2.124 O=c1[nH]cc(cc1Br)Sc2ccccc2 62a_100000719477_100010125443 [1,0,0,0,0,0|3,0,0]=4 20 B16R2.124 O=c1[nH]cc(cc1Br)Sc2ccccc2 62a_100010125443_100000041952 [1,0,0,0,0,0|3,0,0]=4 21 B16R2.124 O=c1[nH]cc(cc1F)Sc2ccccc2 62a_100000719477_100000723523 [1,0,0,0,0,0|3,0,0]=4 22 B16R2.124 O=c1[nH]cc(cc1F)Sc2ccccc2 62a_100000723523_100000041952 [1,0,0,0,0,0|3,0,0]=4 23 B16R2.124 O=c1[nH]cc(cc1O)Sc2ccccc2 62a_100000719477_100009814561 [1,0,0,0,0,0|2,0,0]=3 24 B16R2.124 O=c1[nH]cc(cc1O)Sc2ccccn2 62a_100011216584_100009814561 [1,0,0,0,0,0|3,0,0]=4 25 B16R2.124 O=c1[nH]cc(cc1O)Sc2cccnc2 62a_100000210063_100009814561 [1,0,0,0,0,0|3,0,0]=4 26 B16R2.124 O=c1[nH]cc(cc1O)Sc2ccncc2 62a_100000728582_100009814561 [1,0,0,0,0,0|3,0,0]=4 27 B16R2.124 Oc1cc(ncc1F)Sc2ccccc2 62a_100000719477_100009854642 [1,0,0,0,0,0|3,0,0]=4 28 B16R2.124 Oc1cc(ncc1F)Sc2ccccc2 62a_100009854642_100000041952 [1,0,0,0,0,0|3,0,0]=4 29 B16R2.236 C=C(c1ccccc1)c2cc(ccn2)O 271570a_100000068269_100000762945 [1,0,0,0,0,0|1,0,2]=4 30 B16R2.236 C=C(c1ccccc1)c2cc(cnn2)O 271570a_100000068269_200010734679 [1,0,0,0,0,0|0,0,3]=4 31 B16R2.236 NC(c1ccccc1)c2cccc(c2)O 271570a_203496583355_100011212009 [1,0,0,0,0,0|3,0,0]=4 32 B18R2.2665 C=C(c1ccccc1)c2c[nH]c(=O)c(c2)OC 271570a_100000068269_100010125397 [0,1,0,0,0,0|1,0,2]=4 33 B18R2.9051 C=C(c1ccc(cc1)C)c2c[nH]c(=O)c(c2)O 271570a_100010895218_100009814561 [0,1,0,0,0,0|1,0,2]=4 34 B18R2.9051 C=C(c1ccc(cc1)C)c2cc(c(=O)[nH]n2)C 271570a_100010895218_100012187101 [0,1,0,0,0,0|1,0,2]=4 35 B18R2.9051 C=C(c1ccc(cc1)C)c2cc(c(=O)[nH]n2)N 271570a_100010895218_100000102183 [0,1,0,0,0,0|1,0,2]=4 36 B18R2.9051 C=C(c1ccc(cc1)Cl)c2c[nH]c(=O)c(c2)O 271570a_100010171417_100009814561 [0,1,0,0,0,0|1,0,2]=4 37 B18R2.9051 C=C(c1ccc(cc1)Cl)c2cc(c(=O)[nH]n2)C 271570a_100010171417_100012187101 [0,1,0,0,0,0|1,0,2]=4 38 B18R2.9051 C=C(c1ccc(cc1)Cl)c2cc(c(=O)[nH]n2)N 271570a_100010171417_100000102183 [0,1,0,0,0,0|1,0,2]=4 39 B18R2.9051 C=C(c1ccc(cc1)F)c2c[nH]c(=O)c(c2)O 271570a_100000068270_100009814561 [0,1,0,0,0,0|1,0,2]=4 40 B18R2.9051 C=C(c1ccc(cc1)F)c2cc(c(=O)[nH]n2)C 271570a_100000068270_100012187101 [0,1,0,0,0,0|1,0,2]=4 41 B18R2.9051 C=C(c1ccc(cc1)F)c2cc(c(=O)[nH]n2)N 271570a_100000068270_100000102183 [0,1,0,0,0,0|1,0,2]=4 42 B18R2.38708 C=C(c1ccccc1)c2cc(c(=O)n(n2)C)C 271570a_100000068269_100010988966 [0,1,0,0,0,0|1,0,2]=4 43 B16R1.2925 C=CC(=O)NCC(=O)C(C)c1ccccc1 1458a_200011222540_100000230085 [0,0,1,0,0,0|3,0,0]=4 44 B16R1.4129 CC(C)C(=O)NN=CC(C)c1ccccc1 4a_100000184118_100000212034 [0,0,1,0,0,0|1,0,2]=4 45 B16R1.4129 CC(C=NNC(=O)C(=O)N)c1ccccc1 4a_100000211141_100000212034 [0,0,1,0,0,0|1,0,1]=3 46 B18R2.249 CC(Cc1c[nH]c(=O)c(c1)Br)c2ccccc2 271570a_100000062452_100010125443 [0,0,0,0,0,1|2,0,0]=3 47 B18R2.249 CC(Cc1c[nH]c(=O)c(c1)F)c2ccccc2 271570a_100000062452_100000723523 [0,0,0,0,0,1|2,0,0]=3 48 B18R2.249 CC(Cc1c[nH]c(=O)c(c1)O)c2ccccc2 271570a_100000062452_100009814561 [0,0,0,0,0,1|1,0,0]=2 49 B18R2.249 CC(Cc1cc(c(=O)[nH]n1)N)c2ccccc2 271570a_100000062452_100000102183 [0,0,0,0,0,1|1,0,0]=2 50 B18R2.249 CC(Cc1cc(c(cn1)F)N)c2ccccc2 271570a_100000062452_100000126464 [0,0,0,0,0,1|3,0,0]=4 51 B18R2.249 CC(Cc1cc(c(cn1)F)O)c2ccccc2 271570a_100000062452_100009854642 [0,0,0,0,0,1|2,0,0]=3 52 B18R2.249 CC(Cc1cc(c(cn1)N)N)c2ccccc2 271570a_100000062452_100000067514 [0,0,0,0,0,1|3,0,0]=4 53 B18R2.249 CC(Cc1cc(c(cn1)O)N)c2ccccc2 271570a_100000062452_100009819941 [0,0,0,0,0,1|2,0,1]=4 54 B18R2.249 CC(Cc1ccc(c(c1)O)Br)c2ccccc2 271570a_100000062452_100012356990 [0,0,0,0,0,1|3,0,0]=4 55 B18R2.249 CC(Cc1ccc(c(c1)O)Cl)c2ccccc2 271570a_100000062452_100011356854 [0,0,0,0,0,1|3,0,0]=4 56 B18R2.249 CC(Cc1ccc(c(c1)O)F)c2ccccc2 271570a_100000062452_100000686035 [0,0,0,0,0,1|3,0,0]=4 57 B18R2.249 CC(Cc1ccc(c(c1)O)N)c2ccccc2 271570a_100000062452_100000739049 [0,0,0,0,0,1|3,0,0]=4 58 B18R2.249 CC(Cc1ccc(c(c1)O)O)c2ccccc2 271570a_100000062452_100009813601 [0,0,0,0,0,1|2,0,1]=4 59 B18R2.249 CC(Cc1cn(c(=O)cn1)C)c2ccccc2 271570a_100000062452_100009843036 [0,0,0,0,0,1|3,0,0]=4 60 B18R2.249 CC(Cc1cnc(c(c1)O)F)c2ccccc2 271570a_100000062452_100009819871 [0,0,0,0,0,1|2,0,1]=4 61 B18R2.249 CC(Cc1cnc(c(c1)O)N)c2ccccc2 271570a_100000062452_100009819042 [0,0,0,0,0,1|2,0,1]=4 62 B18R2.249 CC(Cc1ncc(c(n1)O)F)c2ccccc2 271570a_100000062452_100011995740 [0,0,0,0,0,1|3,0,0]=4 63 B18R2.249 CC(Nc1ccc(c(c1)O)Cl)c2ccccc2 34a_100011934209_100000211855 [0,0,0,0,0,1|3,0,0]=4 64 B18R2.249 CC(Nc1ccc(c(c1)O)F)c2ccccc2 34a_100012017398_100000211855 [0,0,0,0,0,1|3,0,0]=4 65 B18R2.249 CC(Nc1ccc(c(c1)O)F)c2ccccc2 7a_100012017398_100000230085 [0,0,0,0,0,1|3,0,0]=4 66 B18R2.249 CC(Nc1ccc(c(c1)O)O)c2ccccc2 34a_100102946323_100000211855 [0,0,0,0,0,1|2,0,1]=4 67 B18R2.249 CC(Oc1cc(c(cn1)Br)Cl)c2ccccc2 34a_100010369989_100000211855 [0,0,0,0,0,1|3,0,0]=4 68 B18R2.249 CC(Oc1cc(c(cn1)Cl)Cl)c2ccccc2 34a_200000099200_100000211855 [0,0,0,0,0,1|3,0,0]=4 69 B18R2.249 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccccc2 62a_100000230085_100010125443 [0,0,0,0,0,1|2,0,0]=3 70 B18R2.249 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccccc2 62a_100010125443_100000230085 [0,0,0,0,0,1|2,0,0]=3 71 B18R2.249 CC(Sc1c[nH]c(=O)c(c1)F)c2ccccc2 62a_100000230085_100000723523 [0,0,0,0,0,1|2,0,0]=3 72 B18R2.249 CC(Sc1c[nH]c(=O)c(c1)F)c2ccccc2 62a_100000723523_100000230085 [0,0,0,0,0,1|2,0,0]=3 73 B18R2.249 CC(Sc1c[nH]c(=O)c(c1)O)c2ccccc2 62a_100000230085_100009814561 [0,0,0,0,0,1|1,0,0]=2 74 B18R2.249 CC(Sc1c[nH]c(=O)c(c1)O)c2cnccn2 62a_200000703233_100009814561 [0,0,0,0,0,1|3,0,0]=4 75 B18R2.249 CC(Sc1cc(c(=O)[nH]n1)N)c2ccccc2 62a_100000230085_100000102183 [0,0,0,0,0,1|1,0,0]=2 76 B18R2.249 CC(Sc1cc(c(=O)[nH]n1)N)c2cnccn2 62a_200000703233_100000102183 [0,0,0,0,0,1|3,0,0]=4 77 B18R2.249 CC(Sc1cc(c(cn1)F)N)c2ccccc2 62a_100000126464_100000230085 [0,0,0,0,0,1|3,0,0]=4 78 B18R2.249 CC(Sc1cc(c(cn1)F)N)c2ccccc2 62a_100000230085_100000126464 [0,0,0,0,0,1|3,0,0]=4 79 B18R2.249 CC(Sc1cc(c(cn1)F)O)c2ccccc2 62a_100000230085_100009854642 [0,0,0,0,0,1|2,0,0]=3 80 B18R2.249 CC(Sc1cc(c(cn1)F)O)c2ccccc2 62a_100009854642_100000230085 [0,0,0,0,0,1|2,0,0]=3 81 B18R2.249 CC(Sc1cc(c(cn1)N)N)c2ccccc2 62a_100000067514_100000230085 [0,0,0,0,0,1|3,0,0]=4 82 B18R2.249 CC(Sc1cc(c(cn1)N)N)c2ccccc2 62a_100000230085_100000067514 [0,0,0,0,0,1|3,0,0]=4 83 B18R2.249 CC(Sc1cc(c(cn1)O)N)c2ccccc2 62a_100000230085_100009819941 [0,0,0,0,0,1|2,0,1]=4 84 B18R2.249 CC(Sc1cc(c(cn1)O)N)c2ccccc2 62a_100009819941_100000230085 [0,0,0,0,0,1|2,0,1]=4 85 B18R2.249 CC(Sc1ccc(c(c1)O)Br)c2ccccc2 62a_100000230085_100012356990 [0,0,0,0,0,1|3,0,0]=4 86 B18R2.249 CC(Sc1ccc(c(c1)O)Br)c2ccccc2 62a_100012356990_100000230085 [0,0,0,0,0,1|3,0,0]=4 87 B18R2.249 CC(Sc1ccc(c(c1)O)Cl)c2ccccc2 62a_100000230085_100011356854 [0,0,0,0,0,1|3,0,0]=4 88 B18R2.249 CC(Sc1ccc(c(c1)O)Cl)c2ccccc2 62a_100011356854_100000230085 [0,0,0,0,0,1|3,0,0]=4 89 B18R2.249 CC(Sc1ccc(c(c1)O)F)c2ccccc2 62a_100000230085_100000686035 [0,0,0,0,0,1|3,0,0]=4 90 B18R2.249 CC(Sc1ccc(c(c1)O)F)c2ccccc2 62a_100000686035_100000230085 [0,0,0,0,0,1|3,0,0]=4 91 B18R2.249 CC(Sc1ccc(c(c1)O)N)c2ccccc2 62a_100000230085_100000739049 [0,0,0,0,0,1|3,0,0]=4 92 B18R2.249 CC(Sc1ccc(c(c1)O)N)c2ccccc2 62a_100000739049_100000230085 [0,0,0,0,0,1|3,0,0]=4 93 B18R2.249 CC(Sc1ccc(c(c1)O)O)c2ccccc2 62a_100000230085_100009813601 [0,0,0,0,0,1|2,0,1]=4 94 B18R2.249 CC(Sc1cn(c(=O)cn1)C)c2ccccc2 62a_100000230085_100009843036 [0,0,0,0,0,1|3,0,0]=4 95 B18R2.249 CC(Sc1cn(c(=O)cn1)C)c2ccccc2 62a_100009843036_100000230085 [0,0,0,0,0,1|3,0,0]=4 96 B18R2.249 CC(Sc1cnc(c(c1)O)F)c2ccccc2 62a_100000230085_100009819871 [0,0,0,0,0,1|2,0,1]=4 97 B18R2.249 CC(Sc1cnc(c(c1)O)F)c2ccccc2 62a_100009819871_100000230085 [0,0,0,0,0,1|2,0,1]=4 98 B18R2.249 CC(Sc1cnc(c(c1)O)N)c2ccccc2 62a_100000230085_100009819042 [0,0,0,0,0,1|2,0,1]=4 99 B18R2.249 CC(Sc1cnc(c(c1)O)N)c2ccccc2 62a_100009819042_100000230085 [0,0,0,0,0,1|2,0,1]=4 100 B18R2.249 CC(Sc1ncc(c(n1)O)F)c2ccccc2 62a_100000230085_100011995740 [0,0,0,0,0,1|3,0,0]=4 101 B18R2.249 C[C@@H](Nc1ncc(c(n1)O)F)c2ccccc2 27a_100000751104_100011995740 [0,0,0,0,0,1|3,0,0]=4 102 B18R2.249 Cc1cc(n[nH]c1=O)CC(C)c2ccccc2 271570a_100000062452_100012187101 [0,0,0,0,0,1|1,0,0]=2 103 B18R2.249 Cc1cc(n[nH]c1=O)SC(C)c2ccccc2 62a_100000230085_100012187101 [0,0,0,0,0,1|1,0,0]=2 104 B18R2.249 Cc1cc(n[nH]c1=O)SC(C)c2cnccn2 62a_200000703233_100012187101 [0,0,0,0,0,1|3,0,0]=4 105 B18R2.249 Cc1cc(ncc1Br)CC(C)c2ccccc2 271570a_100000062452_100012356354 [0,0,0,0,0,1|3,0,0]=4 106 B18R2.249 Cc1cc(ncc1Br)OC(C)c2ccccc2 34a_100000766222_100000211855 [0,0,0,0,0,1|3,0,0]=4 107 B18R2.249 Cc1cc(ncc1Br)SC(C)c2ccccc2 62a_100000230085_100012356354 [0,0,0,0,0,1|3,0,0]=4 108 B18R2.249 Cc1cc(ncc1Br)SC(C)c2ccccc2 62a_100012356354_100000230085 [0,0,0,0,0,1|3,0,0]=4 109 B18R2.249 Cc1cc(ncc1Cl)OC(C)c2ccccc2 34a_200000085746_100000211855 [0,0,0,0,0,1|3,0,0]=4 110 B18R2.249 Cc1cc(ncc1F)CC(C)c2ccccc2 271570a_100000062452_100009818257 [0,0,0,0,0,1|3,0,0]=4 111 B18R2.249 Cc1cc(ncc1F)SC(C)c2ccccc2 62a_100000230085_100009818257 [0,0,0,0,0,1|3,0,0]=4 112 B18R2.249 Cc1cc(ncc1F)SC(C)c2ccccc2 62a_100009818257_100000230085 [0,0,0,0,0,1|3,0,0]=4 113 B18R2.249 Cc1cc(ncc1N)CC(C)c2ccccc2 271570a_100000062452_100000765520 [0,0,0,0,0,1|3,0,0]=4 114 B18R2.249 Cc1cc(ncc1N)SC(C)c2ccccc2 62a_100000067204_100000230085 [0,0,0,0,0,1|3,0,0]=4 115 B18R2.249 Cc1cc(ncc1N)SC(C)c2ccccc2 62a_100000230085_100000067204 [0,0,0,0,0,1|3,0,0]=4 116 B18R2.249 Cc1cc(ncc1O)CC(C)c2ccccc2 271570a_100000062452_100000692680 [0,0,0,0,0,1|2,0,1]=4 117 B18R2.249 Cc1cc(ncc1O)SC(C)c2ccccc2 62a_100000230085_100000692680 [0,0,0,0,0,1|2,0,1]=4 118 B18R2.249 Cc1cc(nnc1N)CC(C)c2ccccc2 271570a_100000062452_100153394926 [0,0,0,0,0,1|2,0,1]=4 119 B18R2.249 Cc1cc(nnc1N)SC(C)c2ccccc2 62a_100000230085_100153394926 [0,0,0,0,0,1|2,0,1]=4 120 B18R2.249 Cc1cc(nnc1N)SC(C)c2ccccc2 62a_100153394926_100000230085 [0,0,0,0,0,1|2,0,1]=4 121 B18R2.249 Cc1ccc(cc1O)CC(C)c2ccccc2 271570a_100000062452_100000766334 [0,0,0,0,0,1|3,0,0]=4 122 B18R2.249 Cc1ccc(cc1O)NC(C)c2ccccc2 34a_100000759471_100000211855 [0,0,0,0,0,1|3,0,0]=4 123 B18R2.249 Cc1ccc(cc1O)NC(C)c2ccccc2 7a_100000759471_100000230085 [0,0,0,0,0,1|3,0,0]=4 124 B18R2.249 Cc1ccc(cc1O)SC(C)c2ccccc2 62a_100000230085_100000685420 [0,0,0,0,0,1|3,0,0]=4 125 B18R2.249 Cc1ccc(cc1O)SC(C)c2ccccc2 62a_100000685420_100000230085 [0,0,0,0,0,1|3,0,0]=4 126 B18R2.249 Cc1cnc(cc1Br)OC(C)c2ccccc2 34a_100009831917_100000211855 [0,0,0,0,0,1|3,0,0]=4 127 B18R2.249 Cc1cnc(cc1C)CC(C)c2ccccc2 271570a_100000062452_100009850809 [0,0,0,0,0,1|3,0,0]=4 128 B18R2.249 Cc1cnc(cc1C)SC(C)c2ccccc2 62a_100000230085_100009850809 [0,0,0,0,0,1|3,0,0]=4 129 B18R2.249 Cc1cnc(cc1C)SC(C)c2ccccc2 62a_100009850809_100000230085 [0,0,0,0,0,1|3,0,0]=4 130 B18R2.249 Cc1cnc(cc1F)CC(C)c2ccccc2 271570a_100000062452_100009841206 [0,0,0,0,0,1|3,0,0]=4 131 B18R2.249 Cc1cnc(cc1F)N[C@H](C)c2ccccc2 27a_100000751104_100009841206 [0,0,0,0,0,1|3,0,0]=4 132 B18R2.249 Cc1cnc(cc1F)SC(C)c2ccccc2 62a_100000230085_100009841206 [0,0,0,0,0,1|3,0,0]=4 133 B18R2.249 Cc1cnc(cc1F)SC(C)c2ccccc2 62a_100009841206_100000230085 [0,0,0,0,0,1|3,0,0]=4 134 B18R2.249 Cc1cnc(cc1N)CC(C)c2ccccc2 271570a_100000062452_100000690170 [0,0,0,0,0,1|3,0,0]=4 135 B18R2.249 Cc1cnc(cc1N)SC(C)c2ccccc2 62a_100000126663_100000230085 [0,0,0,0,0,1|3,0,0]=4 136 B18R2.249 Cc1cnc(cc1N)SC(C)c2ccccc2 62a_100000230085_100000126663 [0,0,0,0,0,1|3,0,0]=4 137 B18R2.249 Cc1cnc(cc1O)CC(C)c2ccccc2 271570a_100000062452_100000704368 [0,0,0,0,0,1|2,0,0]=3 138 B18R2.249 Cc1cnc(cc1O)SC(C)c2ccccc2 62a_100000230085_100000704368 [0,0,0,0,0,1|2,0,0]=3 139 B18R2.249 Cc1cnc(cc1O)SC(C)c2ccccc2 62a_100000704368_100000230085 [0,0,0,0,0,1|2,0,0]=3 140 B18R2.249 Cc1nc(c[nH]c1=O)CC(C)c2ccccc2 271570a_100000062452_100010363809 [0,0,0,0,0,1|3,0,0]=4 141 B18R2.249 Cc1nc(c[nH]c1=O)SC(C)c2ccccc2 62a_100000230085_100010363809 [0,0,0,0,0,1|3,0,0]=4 142 B18R2.249 Cc1nc(c[nH]c1=O)SC(C)c2ccccc2 62a_100010363809_100000230085 [0,0,0,0,0,1|3,0,0]=4 143 B18R2.249 Cc1ncc(cc1O)CC(C)c2ccccc2 271570a_100000062452_100009864810 [0,0,0,0,0,1|2,0,1]=4 144 B18R2.249 Cc1ncc(cc1O)SC(C)c2ccccc2 62a_100000230085_100009864810 [0,0,0,0,0,1|2,0,1]=4 145 B18R2.249 Cc1ncc(cc1O)SC(C)c2ccccc2 62a_100009864810_100000230085 [0,0,0,0,0,1|2,0,1]=4 146 B15R1.959 CCC(=O)NN=CC(C)c1ccccc1 4a_100000183195_100000212034 [1,0,1,0,0,0|0,0,2]=4 147 B15R1.3664 NC(=O)C(=O)NN=CCc1ccccc1 4a_100000211141_100000209964 [1,0,1,0,0,0|1,0,1]=4 148 B15R2.29 O=c1ccc(c[nH]1)Sc2ccccc2 62a_100000212171_100000041952 [2,0,0,0,0,0|2,0,0]=4 149 B15R2.29 O=c1ccc(c[nH]1)Sc2ccccc2 62a_100000719477_100000212171 [2,0,0,0,0,0|2,0,0]=4 150 B15R2.29 O=c1ccc(n[nH]1)Sc2ccccc2 62a_100000719477_100009820020 [2,0,0,0,0,0|1,0,0]=3 151 B15R2.29 O=c1ccc(n[nH]1)Sc2ccccc2 62a_100009820020_100000041952 [2,0,0,0,0,0|1,0,0]=3 152 B15R2.29 O=c1ccc(n[nH]1)Sc2ccccn2 62a_100009820020_100011216584 [2,0,0,0,0,0|2,0,0]=4 153 B15R2.29 O=c1ccc(n[nH]1)Sc2ccccn2 62a_100011216584_100009820020 [2,0,0,0,0,0|2,0,0]=4 154 B15R2.29 O=c1ccc(n[nH]1)Sc2cccnc2 62a_100000210063_100009820020 [2,0,0,0,0,0|2,0,0]=4 155 B15R2.29 O=c1ccc(n[nH]1)Sc2cccnc2 62a_100009820020_100000210063 [2,0,0,0,0,0|2,0,0]=4 156 B15R2.29 O=c1ccc(n[nH]1)Sc2ccncc2 62a_100000728582_100009820020 [2,0,0,0,0,0|2,0,0]=4 157 B15R2.29 O=c1ccc(n[nH]1)Sc2ccncc2 62a_100009820020_100000728582 [2,0,0,0,0,0|2,0,0]=4 158 B15R2.31 Oc1ccnc(c1)Sc2ccccc2 62a_100000719477_100000762945 [2,0,0,0,0,0|2,0,0]=4 159 B15R2.31 Oc1cncc(c1)Cc2ccccc2 271570a_203496583355_200010295753 [2,0,0,0,0,0|1,0,1]=4 160 B15R2.31 Oc1cnnc(c1)Sc2ccccc2 62a_100000719477_200010734679 [2,0,0,0,0,0|1,0,1]=4 161 B17R1.1779 COC(C)C(=O)NN=CC(C)c1ccccc1 4a_100000243824_100000212034 [0,1,1,0,0,0|0,0,2]=4 162 B17R1.3218 CCC(C=NNC(=O)C(=O)N)c1ccccc1 4a_100000211141_100000753018 [0,1,1,0,0,0|1,0,1]=4 163 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(=O)[nH]n2 271570a_100010895218_100009820020 [1,1,0,0,0,0|0,0,2]=4 164 B17R2.217 C=C(c1ccc(cc1)Cl)c2ccc(=O)[nH]n2 271570a_100010171417_100009820020 [1,1,0,0,0,0|0,0,2]=4 165 B17R2.217 C=C(c1ccc(cc1)F)c2ccc(=O)[nH]n2 271570a_100000068270_100009820020 [1,1,0,0,0,0|0,0,2]=4 166 B17R2.5362 C=C(c1ccccc1)c2n[nH]c(=O)cc2C 271570a_100000068269_100000081757 [1,1,0,0,0,0|0,0,2]=4 167 B17R2.472 Cc1cc(n[nH]c1=O)Sc2ccc(cc2)Br 62a_100000752885_100012187101 [1,1,0,0,0,0|2,0,0]=4 168 B17R2.472 Cc1cc(n[nH]c1=O)Sc2ccc(cc2)Cl 62a_100000755918_100012187101 [1,1,0,0,0,0|2,0,0]=4 169 B17R2.472 Cc1cc(n[nH]c1=O)Sc2ccc(cc2)F 62a_100000211213_100012187101 [1,1,0,0,0,0|2,0,0]=4 170 B17R2.472 Cc1cc(n[nH]c1=O)Sc2ccc(cc2)N 62a_100000185761_100012187101 [1,1,0,0,0,0|2,0,0]=4 171 B17R2.472 Cc1ccc(cc1)Sc2c[nH]c(=O)c(c2)O 62a_100000186775_100009814561 [1,1,0,0,0,0|2,0,0]=4 172 B17R2.472 Cc1ccc(cc1)Sc2cc(c(=O)[nH]n2)C 62a_100000186775_100012187101 [1,1,0,0,0,0|2,0,0]=4 173 B17R2.472 Cc1ccc(cc1)Sc2cc(c(=O)[nH]n2)N 62a_100000186775_100000102183 [1,1,0,0,0,0|2,0,0]=4 174 B17R2.472 Nc1cc(n[nH]c1=O)Sc2ccc(cc2)Br 62a_100000752885_100000102183 [1,1,0,0,0,0|2,0,0]=4 175 B17R2.472 Nc1cc(n[nH]c1=O)Sc2ccc(cc2)Cl 62a_100000755918_100000102183 [1,1,0,0,0,0|2,0,0]=4 176 B17R2.472 Nc1cc(n[nH]c1=O)Sc2ccc(cc2)F 62a_100000211213_100000102183 [1,1,0,0,0,0|2,0,0]=4 177 B17R2.472 Nc1ccc(cc1)Sc2c[nH]c(=O)c(c2)O 62a_100000185761_100009814561 [1,1,0,0,0,0|2,0,0]=4 178 B17R2.472 Nc1ccc(cc1)Sc2cc(c(=O)[nH]n2)N 62a_100000185761_100000102183 [1,1,0,0,0,0|2,0,0]=4 179 B17R2.472 O=c1[nH]cc(cc1O)Sc2ccc(cc2)Br 62a_100000752885_100009814561 [1,1,0,0,0,0|2,0,0]=4 180 B17R2.472 O=c1[nH]cc(cc1O)Sc2ccc(cc2)Cl 62a_100000755918_100009814561 [1,1,0,0,0,0|2,0,0]=4 181 B17R2.472 O=c1[nH]cc(cc1O)Sc2ccc(cc2)F 62a_100000211213_100009814561 [1,1,0,0,0,0|2,0,0]=4 182 B17R2.2492 COc1cc(c[nH]c1=O)Sc2ccccc2 62a_100000719477_100010125397 [1,1,0,0,0,0|2,0,0]=4 183 B17R2.5115 Cc1cc(n[nH]c1=O)Sc2ccccc2Br 62a_100000695589_100012187101 [1,1,0,0,0,0|2,0,0]=4 184 B17R2.5115 Cc1cc(n[nH]c1=O)Sc2ccccc2Cl 62a_100000764095_100012187101 [1,1,0,0,0,0|2,0,0]=4 185 B17R2.5115 Cc1cc(n[nH]c1=O)Sc2ccccc2F 62a_100011215700_100012187101 [1,1,0,0,0,0|2,0,0]=4 186 B17R2.5115 Cc1cc(n[nH]c1=O)Sc2ccccc2N 62a_100000210017_100012187101 [1,1,0,0,0,0|2,0,0]=4 187 B17R2.5115 Cc1cc(n[nH]c1=O)Sc2ccccc2O 62a_100000739446_100012187101 [1,1,0,0,0,0|2,0,0]=4 188 B17R2.5115 Cc1ccccc1Sc2c[nH]c(=O)c(c2)O 62a_100000210755_100009814561 [1,1,0,0,0,0|2,0,0]=4 189 B17R2.5115 Cc1ccccc1Sc2cc(c(=O)[nH]n2)C 62a_100000210755_100012187101 [1,1,0,0,0,0|2,0,0]=4 190 B17R2.5115 Cc1ccccc1Sc2cc(c(=O)[nH]n2)N 62a_100000210755_100000102183 [1,1,0,0,0,0|2,0,0]=4 191 B17R2.5115 Nc1cc(n[nH]c1=O)Sc2ccccc2Br 62a_100000695589_100000102183 [1,1,0,0,0,0|2,0,0]=4 192 B17R2.5115 Nc1cc(n[nH]c1=O)Sc2ccccc2Cl 62a_100000764095_100000102183 [1,1,0,0,0,0|2,0,0]=4 193 B17R2.5115 Nc1cc(n[nH]c1=O)Sc2ccccc2F 62a_100011215700_100000102183 [1,1,0,0,0,0|2,0,0]=4 194 B17R2.5115 Nc1cc(n[nH]c1=O)Sc2ccccc2O 62a_100000739446_100000102183 [1,1,0,0,0,0|2,0,0]=4 195 B17R2.5115 Nc1ccccc1Sc2c[nH]c(=O)c(c2)O 62a_100000210017_100009814561 [1,1,0,0,0,0|2,0,0]=4 196 B17R2.5115 Nc1ccccc1Sc2cc(c(=O)[nH]n2)N 62a_100000210017_100000102183 [1,1,0,0,0,0|2,0,0]=4 197 B17R2.5115 O=c1[nH]cc(cc1O)Sc2ccccc2Br 62a_100000695589_100009814561 [1,1,0,0,0,0|2,0,0]=4 198 B17R2.5115 O=c1[nH]cc(cc1O)Sc2ccccc2Cl 62a_100000764095_100009814561 [1,1,0,0,0,0|2,0,0]=4 199 B17R2.5115 O=c1[nH]cc(cc1O)Sc2ccccc2F 62a_100011215700_100009814561 [1,1,0,0,0,0|2,0,0]=4 200 B17R2.5115 O=c1[nH]cc(cc1O)Sc2ccccc2O 62a_100000739446_100009814561 [1,1,0,0,0,0|2,0,0]=4 201 B17R2.36760 Cc1cc(nn(c1=O)C)Sc2ccccc2 62a_100000719477_100010988966 [1,1,0,0,0,0|2,0,0]=4 202 B17R2.36760 Cc1cc(nn(c1=O)C)Sc2ccccc2 62a_100010988966_100000041952 [1,1,0,0,0,0|2,0,0]=4 203 B17R2.41860 Cc1cc(n[nH]c1=O)Sc2cccc(c2)Br 62a_100000691529_100012187101 [1,1,0,0,0,0|2,0,0]=4 204 B17R2.41860 Cc1cc(n[nH]c1=O)Sc2cccc(c2)Cl 62a_100000699651_100012187101 [1,1,0,0,0,0|2,0,0]=4 205 B17R2.41860 Cc1cc(n[nH]c1=O)Sc2cccc(c2)F 62a_100000685547_100012187101 [1,1,0,0,0,0|2,0,0]=4 206 B17R2.41860 Cc1cc(n[nH]c1=O)Sc2cccc(c2)N 62a_100000210019_100012187101 [1,1,0,0,0,0|2,0,0]=4 207 B17R2.41860 Cc1cc(n[nH]c1=O)Sc2cccc(c2)[S] 62a_114929384022_100012187101 [1,1,0,0,0,0|2,0,0]=4 208 B17R2.41860 Cc1cccc(c1)Sc2c[nH]c(=O)c(c2)O 62a_100011215228_100009814561 [1,1,0,0,0,0|2,0,0]=4 209 B17R2.41860 Cc1cccc(c1)Sc2cc(c(=O)[nH]n2)C 62a_100011215228_100012187101 [1,1,0,0,0,0|2,0,0]=4 210 B17R2.41860 Cc1cccc(c1)Sc2cc(c(=O)[nH]n2)N 62a_100011215228_100000102183 [1,1,0,0,0,0|2,0,0]=4 211 B17R2.41860 Nc1cc(n[nH]c1=O)Sc2cccc(c2)Br 62a_100000691529_100000102183 [1,1,0,0,0,0|2,0,0]=4 212 B17R2.41860 Nc1cc(n[nH]c1=O)Sc2cccc(c2)Cl 62a_100000699651_100000102183 [1,1,0,0,0,0|2,0,0]=4 213 B17R2.41860 Nc1cc(n[nH]c1=O)Sc2cccc(c2)F 62a_100000685547_100000102183 [1,1,0,0,0,0|2,0,0]=4 214 B17R2.41860 Nc1cc(n[nH]c1=O)Sc2cccc(c2)[S] 62a_114929384022_100000102183 [1,1,0,0,0,0|2,0,0]=4 215 B17R2.41860 Nc1cccc(c1)Sc2c[nH]c(=O)c(c2)O 62a_100000210019_100009814561 [1,1,0,0,0,0|2,0,0]=4 216 B17R2.41860 Nc1cccc(c1)Sc2cc(c(=O)[nH]n2)N 62a_100000210019_100000102183 [1,1,0,0,0,0|2,0,0]=4 217 B17R2.41860 O=c1[nH]cc(cc1O)Sc2cccc(c2)Br 62a_100000691529_100009814561 [1,1,0,0,0,0|2,0,0]=4 218 B17R2.41860 O=c1[nH]cc(cc1O)Sc2cccc(c2)Cl 62a_100000699651_100009814561 [1,1,0,0,0,0|2,0,0]=4 219 B17R2.41860 O=c1[nH]cc(cc1O)Sc2cccc(c2)F 62a_100000685547_100009814561 [1,1,0,0,0,0|2,0,0]=4 220 B17R2.41860 O=c1[nH]cc(cc1O)Sc2cccc(c2)[S] 62a_114929384022_100009814561 [1,1,0,0,0,0|2,0,0]=4 221 B19R2.2682 CC(Cc1ccc(c(c1)O)C=O)c2ccccc2 271570a_100000062452_100011277552 [0,1,0,0,0,1|2,0,0]=4 222 B19R2.2682 CC(Sc1cc(c(cn1)C=O)N)c2ccccc2 62a_100000050503_100000230085 [0,1,0,0,0,1|2,0,0]=4 223 B19R2.2682 CC(Sc1cc(c(cn1)C=O)N)c2ccccc2 62a_100000230085_100000050503 [0,1,0,0,0,1|2,0,0]=4 224 B19R2.2682 CC(Sc1ccc(c(c1)O)C=O)c2ccccc2 62a_100000230085_100011277552 [0,1,0,0,0,1|2,0,0]=4 225 B19R2.2682 CC(Sc1ccc(c(c1)O)C=O)c2ccccc2 62a_100011277552_100000230085 [0,1,0,0,0,1|2,0,0]=4 226 B19R2.2682 COc1cnc(cc1O)CC(C)c2ccccc2 271570a_100000062452_100010264082 [0,1,0,0,0,1|1,0,1]=4 227 B19R2.2682 COc1cnc(cc1O)SC(C)c2ccccc2 62a_100000230085_100010264082 [0,1,0,0,0,1|1,0,1]=4 228 B19R2.2682 Cc1cc(ncc1C=O)CC(C)c2ccccc2 271570a_100000062452_100000085382 [0,1,0,0,0,1|2,0,0]=4 229 B19R2.2682 Cc1cc(ncc1C=O)SC(C)c2ccccc2 62a_100000085382_100000230085 [0,1,0,0,0,1|2,0,0]=4 230 B19R2.2682 Cc1cc(ncc1C=O)SC(C)c2ccccc2 62a_100000230085_100000085382 [0,1,0,0,0,1|2,0,0]=4 231 B19R2.2849 CC(Cc1cc(c(cn1)F)CO)c2ccccc2 271570a_100000062452_100000081974 [0,1,0,0,0,1|2,0,0]=4 232 B19R2.2849 CC(Sc1cc(c(cn1)F)CO)c2ccccc2 62a_100000081974_100000230085 [0,1,0,0,0,1|2,0,0]=4 233 B19R2.2849 CC(Sc1cc(c(cn1)F)CO)c2ccccc2 62a_100000230085_100000081974 [0,1,0,0,0,1|2,0,0]=4 234 B19R2.2849 COc1cc(c[nH]c1=O)CC(C)c2ccccc2 271570a_100000062452_100010125397 [0,1,0,0,0,1|1,0,0]=3 235 B19R2.2849 COc1cc(c[nH]c1=O)SC(C)c2ccccc2 62a_100000230085_100010125397 [0,1,0,0,0,1|1,0,0]=3 236 B19R2.2849 COc1cc(ncc1C)CC(C)c2ccccc2 271570a_100000062452_100010067687 [0,1,0,0,0,1|2,0,0]=4 237 B19R2.2849 COc1cc(ncc1C)SC(C)c2ccccc2 62a_100000230085_100010067687 [0,1,0,0,0,1|2,0,0]=4 238 B19R2.2849 COc1cc(ncc1C)SC(C)c2ccccc2 62a_100010067687_100000230085 [0,1,0,0,0,1|2,0,0]=4 239 B19R2.2849 COc1cc(ncc1F)CC(C)c2ccccc2 271570a_100000062452_200010136270 [0,1,0,0,0,1|2,0,0]=4 240 B19R2.2849 COc1cc(ncc1F)SC(C)c2ccccc2 62a_100000230085_200010136270 [0,1,0,0,0,1|2,0,0]=4 241 B19R2.2849 COc1cc(ncc1F)SC(C)c2ccccc2 62a_200010136270_100000230085 [0,1,0,0,0,1|2,0,0]=4 242 B19R2.2849 COc1cc(ncc1N)CC(C)c2ccccc2 271570a_100000062452_100009887741 [0,1,0,0,0,1|2,0,0]=4 243 B19R2.2849 COc1cc(ncc1N)SC(C)c2ccccc2 62a_100000230085_100009887741 [0,1,0,0,0,1|2,0,0]=4 244 B19R2.2849 COc1cc(ncc1N)SC(C)c2ccccc2 62a_100009887741_100000230085 [0,1,0,0,0,1|2,0,0]=4 245 B19R2.2849 COc1cc(nnc1N)CC(C)c2ccccc2 271570a_100000062452_100000688033 [0,1,0,0,0,1|1,0,1]=4 246 B19R2.2849 COc1cc(nnc1N)SC(C)c2ccccc2 62a_100000230085_100000688033 [0,1,0,0,0,1|1,0,1]=4 247 B19R2.2849 COc1cc(nnc1N)SC(C)c2ccccc2 62a_100000688033_100000230085 [0,1,0,0,0,1|1,0,1]=4 248 B19R2.7720 Cc1[nH]c(=O)c(cc1CC(C)c2ccccc2)N 271570a_100000062452_100010126670 [0,1,0,0,0,1|2,0,0]=4 249 B19R2.7720 Cc1[nH]c(=O)c(cc1SC(C)c2ccccc2)N 62a_100000230085_100010126670 [0,1,0,0,0,1|2,0,0]=4 250 B19R2.7720 Cc1[nH]c(=O)c(cc1SC(C)c2ccccc2)N 62a_100010126670_100000230085 [0,1,0,0,0,1|2,0,0]=4 251 B19R2.9996 C=CC(Sc1c[nH]c(=O)c(c1)O)c2ccccc2 62a_200000085779_100009814561 [0,1,0,0,0,1|1,0,1]=4 252 B19R2.9996 C=CC(Sc1cc(c(=O)[nH]n1)C)c2ccccc2 62a_200000085779_100012187101 [0,1,0,0,0,1|1,0,1]=4 253 B19R2.9996 C=CC(Sc1cc(c(=O)[nH]n1)N)c2ccccc2 62a_200000085779_100000102183 [0,1,0,0,0,1|1,0,1]=4 254 B19R2.12041 CC(C)(Sc1c[nH]c(=O)c(c1)Br)c2ccccc2 62a_100000034625_100010125443 [0,1,0,0,0,1|2,0,0]=4 255 B19R2.12041 CC(C)(Sc1c[nH]c(=O)c(c1)Br)c2ccccc2 62a_100010125443_100000034625 [0,1,0,0,0,1|2,0,0]=4 256 B19R2.12041 CC(C)(Sc1c[nH]c(=O)c(c1)F)c2ccccc2 62a_100000034625_100000723523 [0,1,0,0,0,1|2,0,0]=4 257 B19R2.12041 CC(C)(Sc1c[nH]c(=O)c(c1)F)c2ccccc2 62a_100000723523_100000034625 [0,1,0,0,0,1|2,0,0]=4 258 B19R2.12041 CC(C)(Sc1c[nH]c(=O)c(c1)O)c2ccccc2 62a_100000034625_100009814561 [0,1,0,0,0,1|1,0,0]=3 259 B19R2.12041 CC(C)(Sc1cc(c(=O)[nH]n1)N)c2ccccc2 62a_100000034625_100000102183 [0,1,0,0,0,1|1,0,0]=3 260 B19R2.12041 CC(C)(Sc1cc(c(cn1)F)O)c2ccccc2 62a_100000034625_100009854642 [0,1,0,0,0,1|2,0,0]=4 261 B19R2.12041 CC(C)(Sc1cc(c(cn1)F)O)c2ccccc2 62a_100009854642_100000034625 [0,1,0,0,0,1|2,0,0]=4 262 B19R2.12041 Cc1cc(n[nH]c1=O)SC(C)(C)c2ccccc2 62a_100000034625_100012187101 [0,1,0,0,0,1|1,0,0]=3 263 B19R2.12041 Cc1cnc(cc1O)SC(C)(C)c2ccccc2 62a_100000034625_100000704368 [0,1,0,0,0,1|2,0,0]=4 264 B19R2.12041 Cc1cnc(cc1O)SC(C)(C)c2ccccc2 62a_100000704368_100000034625 [0,1,0,0,0,1|2,0,0]=4 265 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccc(cc2)Br 62a_100000755118_100010125443 [0,1,0,0,0,1|2,0,0]=4 266 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccc(cc2)Br 62a_100010125443_100000755118 [0,1,0,0,0,1|2,0,0]=4 267 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccc(cc2)Cl 62a_100000684792_100010125443 [0,1,0,0,0,1|2,0,0]=4 268 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccc(cc2)Cl 62a_100010125443_100000684792 [0,1,0,0,0,1|2,0,0]=4 269 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccc(cc2)F 62a_100000743420_100010125443 [0,1,0,0,0,1|2,0,0]=4 270 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccc(cc2)F 62a_100010125443_100000743420 [0,1,0,0,0,1|2,0,0]=4 271 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)F)c2ccc(cc2)Br 62a_100000723523_100000755118 [0,1,0,0,0,1|2,0,0]=4 272 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)F)c2ccc(cc2)Br 62a_100000755118_100000723523 [0,1,0,0,0,1|2,0,0]=4 273 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)F)c2ccc(cc2)Cl 62a_100000684792_100000723523 [0,1,0,0,0,1|2,0,0]=4 274 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)F)c2ccc(cc2)Cl 62a_100000723523_100000684792 [0,1,0,0,0,1|2,0,0]=4 275 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)F)c2ccc(cc2)F 62a_100000723523_100000743420 [0,1,0,0,0,1|2,0,0]=4 276 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)F)c2ccc(cc2)F 62a_100000743420_100000723523 [0,1,0,0,0,1|2,0,0]=4 277 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)O)c2ccc(cc2)Br 62a_100000755118_100009814561 [0,1,0,0,0,1|1,0,0]=3 278 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)O)c2ccc(cc2)Cl 62a_100000684792_100009814561 [0,1,0,0,0,1|1,0,0]=3 279 B19R2.12061 CC(Sc1c[nH]c(=O)c(c1)O)c2ccc(cc2)F 62a_100000743420_100009814561 [0,1,0,0,0,1|1,0,0]=3 280 B19R2.12061 CC(Sc1cc(c(=O)[nH]n1)N)c2ccc(cc2)Br 62a_100000755118_100000102183 [0,1,0,0,0,1|1,0,0]=3 281 B19R2.12061 CC(Sc1cc(c(=O)[nH]n1)N)c2ccc(cc2)Cl 62a_100000684792_100000102183 [0,1,0,0,0,1|1,0,0]=3 282 B19R2.12061 CC(Sc1cc(c(=O)[nH]n1)N)c2ccc(cc2)F 62a_100000743420_100000102183 [0,1,0,0,0,1|1,0,0]=3 283 B19R2.12061 CC(Sc1cc(c(cn1)F)O)c2ccc(cc2)Br 62a_100000755118_100009854642 [0,1,0,0,0,1|2,0,0]=4 284 B19R2.12061 CC(Sc1cc(c(cn1)F)O)c2ccc(cc2)Br 62a_100009854642_100000755118 [0,1,0,0,0,1|2,0,0]=4 285 B19R2.12061 CC(Sc1cc(c(cn1)F)O)c2ccc(cc2)Cl 62a_100000684792_100009854642 [0,1,0,0,0,1|2,0,0]=4 286 B19R2.12061 CC(Sc1cc(c(cn1)F)O)c2ccc(cc2)Cl 62a_100009854642_100000684792 [0,1,0,0,0,1|2,0,0]=4 287 B19R2.12061 CC(Sc1cc(c(cn1)F)O)c2ccc(cc2)F 62a_100000743420_100009854642 [0,1,0,0,0,1|2,0,0]=4 288 B19R2.12061 CC(Sc1cc(c(cn1)F)O)c2ccc(cc2)F 62a_100009854642_100000743420 [0,1,0,0,0,1|2,0,0]=4 289 B19R2.12061 Cc1cc(n[nH]c1=O)SC(C)c2ccc(cc2)Br 62a_100000755118_100012187101 [0,1,0,0,0,1|1,0,0]=3 290 B19R2.12061 Cc1cc(n[nH]c1=O)SC(C)c2ccc(cc2)Cl 62a_100000684792_100012187101 [0,1,0,0,0,1|1,0,0]=3 291 B19R2.12061 Cc1cc(n[nH]c1=O)SC(C)c2ccc(cc2)F 62a_100000743420_100012187101 [0,1,0,0,0,1|1,0,0]=3 292 B19R2.12061 Cc1ccc(cc1)C(C)Sc2c[nH]c(=O)c(c2)Br 62a_100010125443_100011261388 [0,1,0,0,0,1|2,0,0]=4 293 B19R2.12061 Cc1ccc(cc1)C(C)Sc2c[nH]c(=O)c(c2)Br 62a_100011261388_100010125443 [0,1,0,0,0,1|2,0,0]=4 294 B19R2.12061 Cc1ccc(cc1)C(C)Sc2c[nH]c(=O)c(c2)F 62a_100000723523_100011261388 [0,1,0,0,0,1|2,0,0]=4 295 B19R2.12061 Cc1ccc(cc1)C(C)Sc2c[nH]c(=O)c(c2)F 62a_100011261388_100000723523 [0,1,0,0,0,1|2,0,0]=4 296 B19R2.12061 Cc1ccc(cc1)C(C)Sc2c[nH]c(=O)c(c2)O 62a_100011261388_100009814561 [0,1,0,0,0,1|1,0,0]=3 297 B19R2.12061 Cc1ccc(cc1)C(C)Sc2cc(c(=O)[nH]n2)C 62a_100011261388_100012187101 [0,1,0,0,0,1|1,0,0]=3 298 B19R2.12061 Cc1ccc(cc1)C(C)Sc2cc(c(=O)[nH]n2)N 62a_100011261388_100000102183 [0,1,0,0,0,1|1,0,0]=3 299 B19R2.12061 Cc1ccc(cc1)C(C)Sc2cc(c(cn2)C)O 62a_100000704368_100011261388 [0,1,0,0,0,1|2,0,0]=4 300 B19R2.12061 Cc1ccc(cc1)C(C)Sc2cc(c(cn2)C)O 62a_100011261388_100000704368 [0,1,0,0,0,1|2,0,0]=4 301 B19R2.12061 Cc1ccc(cc1)C(C)Sc2cc(c(cn2)F)O 62a_100009854642_100011261388 [0,1,0,0,0,1|2,0,0]=4 302 B19R2.12061 Cc1ccc(cc1)C(C)Sc2cc(c(cn2)F)O 62a_100011261388_100009854642 [0,1,0,0,0,1|2,0,0]=4 303 B19R2.12061 Cc1cnc(cc1O)SC(C)c2ccc(cc2)Br 62a_100000704368_100000755118 [0,1,0,0,0,1|2,0,0]=4 304 B19R2.12061 Cc1cnc(cc1O)SC(C)c2ccc(cc2)Br 62a_100000755118_100000704368 [0,1,0,0,0,1|2,0,0]=4 305 B19R2.12061 Cc1cnc(cc1O)SC(C)c2ccc(cc2)Cl 62a_100000684792_100000704368 [0,1,0,0,0,1|2,0,0]=4 306 B19R2.12061 Cc1cnc(cc1O)SC(C)c2ccc(cc2)Cl 62a_100000704368_100000684792 [0,1,0,0,0,1|2,0,0]=4 307 B19R2.12061 Cc1cnc(cc1O)SC(C)c2ccc(cc2)F 62a_100000704368_100000743420 [0,1,0,0,0,1|2,0,0]=4 308 B19R2.12061 Cc1cnc(cc1O)SC(C)c2ccc(cc2)F 62a_100000743420_100000704368 [0,1,0,0,0,1|2,0,0]=4 309 B19R2.49645 Cc1c(c[nH]c(=O)c1N)CC(C)c2ccccc2 271570a_100000062452_100010163742 [0,1,0,0,0,1|2,0,0]=4 310 B19R2.49645 Cc1c(c[nH]c(=O)c1N)SC(C)c2ccccc2 62a_100000230085_100010163742 [0,1,0,0,0,1|2,0,0]=4 311 B19R2.49645 Cc1c(c[nH]c(=O)c1N)SC(C)c2ccccc2 62a_100010163742_100000230085 [0,1,0,0,0,1|2,0,0]=4 312 B19R2.50263 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccccc2Cl 62a_100000181259_100010125443 [0,1,0,0,0,1|2,0,0]=4 313 B19R2.50263 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccccc2Cl 62a_100010125443_100000181259 [0,1,0,0,0,1|2,0,0]=4 314 B19R2.50263 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccccc2F 62a_100010125443_200000741388 [0,1,0,0,0,1|2,0,0]=4 315 B19R2.50263 CC(Sc1c[nH]c(=O)c(c1)Br)c2ccccc2F 62a_200000741388_100010125443 [0,1,0,0,0,1|2,0,0]=4 316 B19R2.50263 CC(Sc1c[nH]c(=O)c(c1)F)c2ccccc2Cl 62a_100000181259_100000723523 [0,1,0,0,0,1|2,0,0]=4 317 B19R2.50263 CC(Sc1c[nH]c(=O)c(c1)F)c2ccccc2Cl 62a_100000723523_100000181259 [0,1,0,0,0,1|2,0,0]=4 318 B19R2.50263 CC(Sc1c[nH]c(=O)c(c1)F)c2ccccc2F 62a_100000723523_200000741388 [0,1,0,0,0,1|2,0,0]=4 319 B19R2.50263 CC(Sc1c[nH]c(=O)c(c1)F)c2ccccc2F 62a_200000741388_100000723523 [0,1,0,0,0,1|2,0,0]=4 320 B19R2.50263 CC(Sc1c[nH]c(=O)c(c1)O)c2ccccc2Cl 62a_100000181259_100009814561 [0,1,0,0,0,1|1,0,0]=3 321 B19R2.50263 CC(Sc1c[nH]c(=O)c(c1)O)c2ccccc2F 62a_200000741388_100009814561 [0,1,0,0,0,1|1,0,0]=3 322 B19R2.50263 CC(Sc1cc(c(=O)[nH]n1)N)c2ccccc2Cl 62a_100000181259_100000102183 [0,1,0,0,0,1|1,0,0]=3 323 B19R2.50263 CC(Sc1cc(c(=O)[nH]n1)N)c2ccccc2F 62a_200000741388_100000102183 [0,1,0,0,0,1|1,0,0]=3 324 B19R2.50263 CC(Sc1cc(c(cn1)F)O)c2ccccc2Cl 62a_100000181259_100009854642 [0,1,0,0,0,1|2,0,0]=4 325 B19R2.50263 CC(Sc1cc(c(cn1)F)O)c2ccccc2Cl 62a_100009854642_100000181259 [0,1,0,0,0,1|2,0,0]=4 326 B19R2.50263 CC(Sc1cc(c(cn1)F)O)c2ccccc2F 62a_100009854642_200000741388 [0,1,0,0,0,1|2,0,0]=4 327 B19R2.50263 CC(Sc1cc(c(cn1)F)O)c2ccccc2F 62a_200000741388_100009854642 [0,1,0,0,0,1|2,0,0]=4 328 B19R2.50263 Cc1cc(n[nH]c1=O)SC(C)c2ccccc2Cl 62a_100000181259_100012187101 [0,1,0,0,0,1|1,0,0]=3 329 B19R2.50263 Cc1cc(n[nH]c1=O)SC(C)c2ccccc2F 62a_200000741388_100012187101 [0,1,0,0,0,1|1,0,0]=3 330 B19R2.50263 Cc1cnc(cc1O)SC(C)c2ccccc2Cl 62a_100000181259_100000704368 [0,1,0,0,0,1|2,0,0]=4 331 B19R2.50263 Cc1cnc(cc1O)SC(C)c2ccccc2Cl 62a_100000704368_100000181259 [0,1,0,0,0,1|2,0,0]=4 332 B19R2.50263 Cc1cnc(cc1O)SC(C)c2ccccc2F 62a_100000704368_200000741388 [0,1,0,0,0,1|2,0,0]=4 333 B19R2.50263 Cc1cnc(cc1O)SC(C)c2ccccc2F 62a_200000741388_100000704368 [0,1,0,0,0,1|2,0,0]=4 334 B19R2.61301 CC(Cc1cc(c(=O)n(c1)C)F)c2ccccc2 271570a_100000062452_100010749421 [0,1,0,0,0,1|2,0,0]=4 335 B19R2.61301 CC(Cc1cc(c(=O)n(c1)C)N)c2ccccc2 271570a_100000062452_106446545582 [0,1,0,0,0,1|2,0,0]=4 336 B19R2.61301 CC(Sc1cc(c(=O)n(c1)C)F)c2ccccc2 62a_100000230085_100010749421 [0,1,0,0,0,1|2,0,0]=4 337 B19R2.61301 CC(Sc1cc(c(=O)n(c1)C)F)c2ccccc2 62a_100010749421_100000230085 [0,1,0,0,0,1|2,0,0]=4 338 B19R2.61301 CC(Sc1cc(c(=O)n(c1)C)N)c2ccccc2 62a_100000230085_106446545582 [0,1,0,0,0,1|2,0,0]=4 339 B19R2.61301 CC(Sc1cc(c(=O)n(c1)C)N)c2ccccc2 62a_106446545582_100000230085 [0,1,0,0,0,1|2,0,0]=4 340 B19R2.61301 Cc1cc(cn(c1=O)C)CC(C)c2ccccc2 271570a_100000062452_100011830242 [0,1,0,0,0,1|2,0,0]=4 341 B19R2.61301 Cc1cc(cn(c1=O)C)SC(C)c2ccccc2 62a_100000230085_100011830242 [0,1,0,0,0,1|2,0,0]=4 342 B19R2.61301 Cc1cc(cn(c1=O)C)SC(C)c2ccccc2 62a_100011830242_100000230085 [0,1,0,0,0,1|2,0,0]=4 343 B19R2.61301 Cc1cc(nn(c1=O)C)CC(C)c2ccccc2 271570a_100000062452_100010988966 [0,1,0,0,0,1|1,0,0]=3 344 B19R2.61301 Cc1cc(nn(c1=O)C)SC(C)c2ccccc2 62a_100000230085_100010988966 [0,1,0,0,0,1|1,0,0]=3 345 B19R2.61301 Cc1cc(nn(c1=O)C)SC(C)c2ccccc2 62a_100010988966_100000230085 [0,1,0,0,0,1|1,0,0]=3 346 B17R2.5646 CC(c1ccccc1)c2noc(n2)C(=O)N 270196a_100011215883_100011215815 [0,0,1,1,0,0|1,0,0]=3 347 B17R2.5646 CC(c1ccccc1)n2cc(nn2)C(=O)N 274090a_100000230085_100011470575 [0,0,1,1,0,0|2,0,0]=4 348 B19R3.12823 Cc1cc(n[nH]c1=O)SC2Cc3c2cccc3 62a_100009813401_100012187101 [0,0,0,1,0,1|1,0,0]=3 349 B19R3.12823 Cc1cnc(cc1O)SC2Cc3c2cccc3 62a_100000704368_100009813401 [0,0,0,1,0,1|2,0,0]=4 350 B19R3.12823 Cc1cnc(cc1O)SC2Cc3c2cccc3 62a_100009813401_100000704368 [0,0,0,1,0,1|2,0,0]=4 351 B19R3.12823 Nc1cc(n[nH]c1=O)SC2Cc3c2cccc3 62a_100009813401_100000102183 [0,0,0,1,0,1|1,0,0]=3 352 B19R3.12823 O=c1[nH]cc(cc1Br)SC2Cc3c2cccc3 62a_100009813401_100010125443 [0,0,0,1,0,1|2,0,0]=4 353 B19R3.12823 O=c1[nH]cc(cc1Br)SC2Cc3c2cccc3 62a_100010125443_100009813401 [0,0,0,1,0,1|2,0,0]=4 354 B19R3.12823 O=c1[nH]cc(cc1F)SC2Cc3c2cccc3 62a_100000723523_100009813401 [0,0,0,1,0,1|2,0,0]=4 355 B19R3.12823 O=c1[nH]cc(cc1F)SC2Cc3c2cccc3 62a_100009813401_100000723523 [0,0,0,1,0,1|2,0,0]=4 356 B19R3.12823 O=c1[nH]cc(cc1O)SC2Cc3c2cccc3 62a_100009813401_100009814561 [0,0,0,1,0,1|1,0,0]=3 357 B19R3.12823 Oc1cc(ncc1F)SC2Cc3c2cccc3 62a_100009813401_100009854642 [0,0,0,1,0,1|2,0,0]=4 358 B19R3.12823 Oc1cc(ncc1F)SC2Cc3c2cccc3 62a_100009854642_100009813401 [0,0,0,1,0,1|2,0,0]=4 359 B19R3.240558 Cc1cc(n[nH]c1=O)C2=Cc3ccccc3C2 271570a_100010239756_100012187101 [0,0,0,1,0,1|1,0,1]=4 360 B19R3.240558 Nc1cc(n[nH]c1=O)C2=Cc3ccccc3C2 271570a_100010239756_100000102183 [0,0,0,1,0,1|1,0,1]=4 361 B19R3.240558 O=c1[nH]cc(cc1O)C2=Cc3ccccc3C2 271570a_100010239756_100009814561 [0,0,0,1,0,1|1,0,1]=4 362 B15R2.94 Cc1cc(n[nH]c1=O)c2ccccc2 271570a_100011218836_100012187101 [1,0,0,0,1,0|1,0,0]=3 363 B15R2.94 Cc1cc(n[nH]c1=O)c2ccccn2 271570a_100011264011_100012187101 [1,0,0,0,1,0|2,0,0]=4 364 B15R2.94 Cc1cc(n[nH]c1=O)c2cccnc2 271570a_100000757648_100012187101 [1,0,0,0,1,0|2,0,0]=4 365 B15R2.94 Cc1cc(n[nH]c1=O)c2ccncc2 271570a_100000752145_100012187101 [1,0,0,0,1,0|2,0,0]=4 366 B15R2.94 Cc1cnc(cc1O)c2ccccc2 271570a_100011218836_100000704368 [1,0,0,0,1,0|2,0,0]=4 367 B15R2.94 Nc1cc(n[nH]c1=O)c2ccccc2 271570a_100011218836_100000102183 [1,0,0,0,1,0|1,0,0]=3 368 B15R2.94 Nc1cc(n[nH]c1=O)c2ccccn2 271570a_100011264011_100000102183 [1,0,0,0,1,0|2,0,0]=4 369 B15R2.94 Nc1cc(n[nH]c1=O)c2cccnc2 271570a_100000757648_100000102183 [1,0,0,0,1,0|2,0,0]=4 370 B15R2.94 Nc1cc(n[nH]c1=O)c2ccncc2 271570a_100000752145_100000102183 [1,0,0,0,1,0|2,0,0]=4 371 B15R2.94 O=c1[nH]cc(cc1Br)c2ccccc2 271570a_100011218836_100010125443 [1,0,0,0,1,0|2,0,0]=4 372 B15R2.94 O=c1[nH]cc(cc1F)c2ccccc2 271570a_100011218836_100000723523 [1,0,0,0,1,0|2,0,0]=4 373 B15R2.94 O=c1[nH]cc(cc1O)c2ccccc2 271570a_100011218836_100009814561 [1,0,0,0,1,0|1,0,0]=3 374 B15R2.94 O=c1[nH]cc(cc1O)c2ccccn2 271570a_100011264011_100009814561 [1,0,0,0,1,0|2,0,0]=4 375 B15R2.94 O=c1[nH]cc(cc1O)c2cccnc2 271570a_100000757648_100009814561 [1,0,0,0,1,0|2,0,0]=4 376 B15R2.94 O=c1[nH]cc(cc1O)c2ccncc2 271570a_100000752145_100009814561 [1,0,0,0,1,0|2,0,0]=4 377 B15R2.94 Oc1cc(ncc1F)c2ccccc2 271570a_100011218836_100009854642 [1,0,0,0,1,0|2,0,0]=4 378 B17R1.4483 CC(CC=NNC(=O)C(=O)N)c1ccccc1 4a_100000211141_100000189432 [0,0,1,0,0,1|1,0,1]=4 379 B17R2.209 CC(Cc1ccc(=O)[nH]c1)c2ccccc2 271570a_100000062452_100000212171 [1,0,0,0,0,1|1,0,0]=3 380 B17R2.209 CC(Cc1ccc(=O)[nH]n1)c2ccccc2 271570a_100000062452_100009820020 [1,0,0,0,0,1|0,0,0]=2 381 B17R2.209 CC(Cc1ccc(cn1)Br)c2ccccc2 271570a_100000062452_100000686858 [1,0,0,0,0,1|2,0,0]=4 382 B17R2.209 CC(Cc1ccc(cn1)Cl)c2ccccc2 271570a_100000062452_100011356976 [1,0,0,0,0,1|2,0,0]=4 383 B17R2.209 CC(Cc1ccc(cn1)F)c2ccccc2 271570a_100000062452_100000744514 [1,0,0,0,0,1|2,0,0]=4 384 B17R2.209 CC(Cc1ccc(cn1)N)c2ccccc2 271570a_100000062452_100000744251 [1,0,0,0,0,1|2,0,0]=4 385 B17R2.209 CC(Cc1ccc(cn1)O)c2ccccc2 271570a_100000062452_100000685995 [1,0,0,0,0,1|1,0,1]=4 386 B17R2.209 CC(Cc1ccc(nn1)N)c2ccccc2 271570a_100000062452_100009816609 [1,0,0,0,0,1|1,0,1]=4 387 B17R2.209 CC(Cc1cnc(=O)[nH]c1)c2ccccc2 271570a_100000062452_102495366499 [1,0,0,0,0,1|2,0,0]=4 388 B17R2.209 CC(Nc1ccc(nn1)O)c2ccccc2 271570a_203496583355_100000215341 [1,0,0,0,0,1|0,0,2]=4 389 B17R2.209 CC(Oc1ccc(=O)[nH]c1)c2ccccc2 34a_100000075641_100000211855 [1,0,0,0,0,1|1,0,0]=3 390 B17R2.209 CC(Oc1ccc(cn1)Cl)c2ccccc2 34a_100011215309_100000211855 [1,0,0,0,0,1|2,0,0]=4 391 B17R2.209 CC(Oc1ccc(cn1)F)c2ccccc2 34a_100000742473_100000211855 [1,0,0,0,0,1|2,0,0]=4 392 B17R2.209 CC(Oc1ccc(cn1)N)c2ccccc2 34a_100000729260_100000211855 [1,0,0,0,0,1|2,0,0]=4 393 B17R2.209 CC(Sc1ccc(=O)[nH]c1)c2ccccc2 62a_100000212171_100000230085 [1,0,0,0,0,1|1,0,0]=3 394 B17R2.209 CC(Sc1ccc(=O)[nH]c1)c2ccccc2 62a_100000230085_100000212171 [1,0,0,0,0,1|1,0,0]=3 395 B17R2.209 CC(Sc1ccc(=O)[nH]n1)c2ccccc2 62a_100000230085_100009820020 [1,0,0,0,0,1|0,0,0]=2 396 B17R2.209 CC(Sc1ccc(=O)[nH]n1)c2ccccc2 62a_100009820020_100000230085 [1,0,0,0,0,1|0,0,0]=2 397 B17R2.209 CC(Sc1ccc(=O)[nH]n1)c2cnccn2 62a_100009820020_200000703233 [1,0,0,0,0,1|2,0,0]=4 398 B17R2.209 CC(Sc1ccc(=O)[nH]n1)c2cnccn2 62a_200000703233_100009820020 [1,0,0,0,0,1|2,0,0]=4 399 B17R2.209 CC(Sc1ccc(cn1)Br)c2ccccc2 62a_100000230085_100000686858 [1,0,0,0,0,1|2,0,0]=4 400 B17R2.209 CC(Sc1ccc(cn1)Br)c2ccccc2 62a_100000686858_100000230085 [1,0,0,0,0,1|2,0,0]=4 401 B17R2.209 CC(Sc1ccc(cn1)Cl)c2ccccc2 62a_100000230085_100011356976 [1,0,0,0,0,1|2,0,0]=4 402 B17R2.209 CC(Sc1ccc(cn1)Cl)c2ccccc2 62a_100011356976_100000230085 [1,0,0,0,0,1|2,0,0]=4 403 B17R2.209 CC(Sc1ccc(cn1)F)c2ccccc2 62a_100000230085_100000744514 [1,0,0,0,0,1|2,0,0]=4 404 B17R2.209 CC(Sc1ccc(cn1)F)c2ccccc2 62a_100000744514_100000230085 [1,0,0,0,0,1|2,0,0]=4 405 B17R2.209 CC(Sc1ccc(cn1)N)c2ccccc2 62a_100000230085_100000737798 [1,0,0,0,0,1|2,0,0]=4 406 B17R2.209 CC(Sc1ccc(cn1)N)c2ccccc2 62a_100000737798_100000230085 [1,0,0,0,0,1|2,0,0]=4 407 B17R2.209 CC(Sc1ccc(cn1)O)c2ccccc2 62a_100000230085_100000744096 [1,0,0,0,0,1|1,0,1]=4 408 B17R2.209 CC(Sc1ccc(cn1)O)c2ccccc2 62a_100000685995_100000230085 [1,0,0,0,0,1|1,0,1]=4 409 B17R2.209 CC(Sc1ccc(nn1)Cl)c2ccccc2 62a_100000068654_100000230085 [1,0,0,0,0,1|1,0,1]=4 410 B17R2.209 CC(Sc1ccc(nn1)Cl)c2ccccc2 62a_100000230085_100000068654 [1,0,0,0,0,1|1,0,1]=4 411 B17R2.209 CC(Sc1ccc(nn1)N)c2ccccc2 62a_100000230085_100010219413 [1,0,0,0,0,1|1,0,1]=4 412 B17R2.209 CC(Sc1ccc(nn1)N)c2ccccc2 62a_100010219413_100000230085 [1,0,0,0,0,1|1,0,1]=4 413 B17R2.209 CC(Sc1cnc(=O)[nH]c1)c2ccccc2 62a_100000230085_102495366499 [1,0,0,0,0,1|2,0,0]=4 414 B17R2.209 CC(Sc1cnc(=O)[nH]c1)c2ccccc2 62a_102495366499_100000230085 [1,0,0,0,0,1|2,0,0]=4 415 B17R2.209 C[C@@H](Nc1ccc(cn1)Br)c2ccccc2 27a_100000751104_100000686858 [1,0,0,0,0,1|2,0,0]=4 416 B17R2.209 Cc1ccc(nc1)CC(C)c2ccccc2 271570a_100000062452_100000754016 [1,0,0,0,0,1|2,0,0]=4 417 B17R2.209 Cc1ccc(nc1)OC(C)c2ccccc2 34a_100000759353_100000211855 [1,0,0,0,0,1|2,0,0]=4 418 B17R2.209 Cc1ccc(nc1)SC(C)c2ccccc2 62a_100000230085_100000754016 [1,0,0,0,0,1|2,0,0]=4 419 B17R2.209 Cc1ccc(nc1)SC(C)c2ccccc2 62a_100011192072_100000230085 [1,0,0,0,0,1|2,0,0]=4 420 B17R2.209 Cc1ccc(nn1)CC(C)c2ccccc2 271570a_100000062452_100011450037 [1,0,0,0,0,1|1,0,1]=4 421 B17R2.209 Cc1ccc(nn1)N[C@H](C)c2ccccc2 27a_100000751104_100000744512 [1,0,0,0,0,1|1,0,1]=4 422 B17R2.209 Cc1ccc(nn1)SC(C)c2ccccc2 62a_100000230085_100000744512 [1,0,0,0,0,1|1,0,1]=4 423 B17R2.209 Cc1ccc(nn1)SC(C)c2ccccc2 62a_100000744512_100000230085 [1,0,0,0,0,1|1,0,1]=4 424 B17R2.193 Cc1cc(n[nH]c1=O)C#Cc2ccccc2 271570a_100000069678_100012187101 [1,0,0,0,0,1|1,0,1]=4 425 B17R2.193 Cc1cc(n[nH]c1=O)C=Cc2ccccc2 271570a_100102527694_100012187101 [1,0,0,0,0,1|1,0,1]=4 426 B17R2.193 Cc1cc(n[nH]c1=O)SCc2ccccc2 62a_100000211182_100012187101 [1,0,0,0,0,1|1,0,0]=3 427 B17R2.193 Cc1cc(n[nH]c1=O)SCc2ccccn2 62a_100000721315_100012187101 [1,0,0,0,0,1|2,0,0]=4 428 B17R2.193 Cc1cc(n[nH]c1=O)SCc2cccnc2 62a_100000741622_100012187101 [1,0,0,0,0,1|2,0,0]=4 429 B17R2.193 Cc1cc(n[nH]c1=O)SCc2ccncc2 62a_100015193705_100012187101 [1,0,0,0,0,1|2,0,0]=4 430 B17R2.193 Cc1cnc(cc1O)SCc2ccccc2 62a_100000211182_100000704368 [1,0,0,0,0,1|2,0,0]=4 431 B17R2.193 Cc1cnc(cc1O)SCc2ccccc2 62a_100000704368_100015291786 [1,0,0,0,0,1|2,0,0]=4 432 B17R2.193 Nc1cc(n[nH]c1=O)C#Cc2ccccc2 271570a_100000069678_100000102183 [1,0,0,0,0,1|1,0,1]=4 433 B17R2.193 Nc1cc(n[nH]c1=O)C=Cc2ccccc2 271570a_100102527694_100000102183 [1,0,0,0,0,1|1,0,1]=4 434 B17R2.193 Nc1cc(n[nH]c1=O)SCc2ccccc2 62a_100000211182_100000102183 [1,0,0,0,0,1|1,0,0]=3 435 B17R2.193 Nc1cc(n[nH]c1=O)SCc2ccccn2 62a_100000721315_100000102183 [1,0,0,0,0,1|2,0,0]=4 436 B17R2.193 Nc1cc(n[nH]c1=O)SCc2cccnc2 62a_100000741622_100000102183 [1,0,0,0,0,1|2,0,0]=4 437 B17R2.193 Nc1cc(n[nH]c1=O)SCc2ccncc2 62a_100015193705_100000102183 [1,0,0,0,0,1|2,0,0]=4 438 B17R2.193 O=c1[nH]cc(cc1Br)SCc2ccccc2 62a_100000211182_100010125443 [1,0,0,0,0,1|2,0,0]=4 439 B17R2.193 O=c1[nH]cc(cc1Br)SCc2ccccc2 62a_100010125443_100015291786 [1,0,0,0,0,1|2,0,0]=4 440 B17R2.193 O=c1[nH]cc(cc1Cl)CNc2ccccc2 207a_100000106764_100000051075 [1,0,0,0,0,1|2,0,0]=4 441 B17R2.193 O=c1[nH]cc(cc1Cl)CNc2ccccc2 270302a_100000106764_100000051075 [1,0,0,0,0,1|2,0,0]=4 442 B17R2.193 O=c1[nH]cc(cc1F)SCc2ccccc2 62a_100000211182_100000723523 [1,0,0,0,0,1|2,0,0]=4 443 B17R2.193 O=c1[nH]cc(cc1F)SCc2ccccc2 62a_100000723523_100015291786 [1,0,0,0,0,1|2,0,0]=4 444 B17R2.193 O=c1[nH]cc(cc1O)C#Cc2ccccc2 271570a_100000069678_100009814561 [1,0,0,0,0,1|1,0,1]=4 445 B17R2.193 O=c1[nH]cc(cc1O)C=Cc2ccccc2 271570a_100102527694_100009814561 [1,0,0,0,0,1|1,0,1]=4 446 B17R2.193 O=c1[nH]cc(cc1O)SCc2ccccc2 62a_100000211182_100009814561 [1,0,0,0,0,1|1,0,0]=3 447 B17R2.193 O=c1[nH]cc(cc1O)SCc2ccccn2 62a_100000721315_100009814561 [1,0,0,0,0,1|2,0,0]=4 448 B17R2.193 O=c1[nH]cc(cc1O)SCc2cccnc2 62a_100000741622_100009814561 [1,0,0,0,0,1|2,0,0]=4 449 B17R2.193 O=c1[nH]cc(cc1O)SCc2ccncc2 62a_100015193705_100009814561 [1,0,0,0,0,1|2,0,0]=4 450 B17R2.193 Oc1cc(ncc1F)SCc2ccccc2 62a_100000211182_100009854642 [1,0,0,0,0,1|2,0,0]=4 451 B17R2.193 Oc1cc(ncc1F)SCc2ccccc2 62a_100009854642_100015291786 [1,0,0,0,0,1|2,0,0]=4 452 B17R2.5293 CC(Cc1cc(ccn1)Cl)c2ccccc2 271570a_100000062452_100010167805 [1,0,0,0,0,1|2,0,0]=4 453 B17R2.5293 CC(Cc1cc(ccn1)F)c2ccccc2 271570a_100000062452_100009817058 [1,0,0,0,0,1|2,0,0]=4 454 B17R2.5293 CC(Cc1cc(ccn1)N)c2ccccc2 271570a_100000062452_100009814236 [1,0,0,0,0,1|2,0,0]=4 455 B17R2.5293 CC(Cc1cc(ccn1)O)c2ccccc2 271570a_100000062452_100000762945 [1,0,0,0,0,1|1,0,0]=3 456 B17R2.5293 CC(Cc1cc(cnn1)O)c2ccccc2 271570a_100000062452_200010734679 [1,0,0,0,0,1|0,0,1]=3 457 B17R2.5293 CC(Cc1cc(ncn1)O)c2ccccc2 271570a_100000062452_100000765262 [1,0,0,0,0,1|2,0,0]=4 458 B17R2.5293 CC(Cc1cccc(c1)O)c2ccccc2 271570a_100000062452_100000211634 [1,0,0,0,0,1|2,0,0]=4 459 B17R2.5293 CC(Cc1cncc(c1)O)c2ccccc2 271570a_100000062452_100000754920 [1,0,0,0,0,1|1,0,1]=4 460 B17R2.5293 CC(Cc1nccc(n1)O)c2ccccc2 271570a_100000062452_100011649813 [1,0,0,0,0,1|2,0,0]=4 461 B17R2.5293 CC(Nc1cccc(c1)O)c2ccccc2 34a_100000210217_100000211855 [1,0,0,0,0,1|2,0,0]=4 462 B17R2.5293 CC(Sc1cc(ccn1)Cl)c2ccccc2 62a_100000230085_100010167805 [1,0,0,0,0,1|2,0,0]=4 463 B17R2.5293 CC(Sc1cc(ccn1)Cl)c2ccccc2 62a_100010167805_100000230085 [1,0,0,0,0,1|2,0,0]=4 464 B17R2.5293 CC(Sc1cc(ccn1)F)c2ccccc2 62a_100000230085_100000764206 [1,0,0,0,0,1|2,0,0]=4 465 B17R2.5293 CC(Sc1cc(ccn1)F)c2ccccc2 62a_100000764206_100000230085 [1,0,0,0,0,1|2,0,0]=4 466 B17R2.5293 CC(Sc1cc(ccn1)N)c2ccccc2 62a_100000230085_100009814236 [1,0,0,0,0,1|2,0,0]=4 467 B17R2.5293 CC(Sc1cc(ccn1)N)c2ccccc2 62a_100009814236_100000230085 [1,0,0,0,0,1|2,0,0]=4 468 B17R2.5293 CC(Sc1cc(ccn1)O)c2ccccc2 62a_100000230085_100000762945 [1,0,0,0,0,1|1,0,0]=3 469 B17R2.5293 CC(Sc1cc(cnn1)N)c2ccccc2 62a_100000230085_100011996757 [1,0,0,0,0,1|1,0,1]=4 470 B17R2.5293 CC(Sc1cc(cnn1)N)c2ccccc2 62a_100011996757_100000230085 [1,0,0,0,0,1|1,0,1]=4 471 B17R2.5293 CC(Sc1cc(cnn1)O)c2ccccc2 62a_100000230085_200010734679 [1,0,0,0,0,1|0,0,1]=3 472 B17R2.5293 CC(Sc1cc(ncn1)O)c2ccccc2 62a_100000230085_100000765262 [1,0,0,0,0,1|2,0,0]=4 473 B17R2.5293 CC(Sc1cccc(c1)O)c2ccccc2 62a_100000230085_100000211634 [1,0,0,0,0,1|2,0,0]=4 474 B17R2.5293 CC(Sc1cncc(c1)O)c2ccccc2 62a_100000230085_100000754920 [1,0,0,0,0,1|1,0,1]=4 475 B17R2.5293 CC(Sc1cncc(c1)O)c2ccccc2 62a_100000754920_100000230085 [1,0,0,0,0,1|1,0,1]=4 476 B17R2.5293 CC(Sc1nccc(n1)O)c2ccccc2 62a_100000230085_100011649813 [1,0,0,0,0,1|2,0,0]=4 477 B17R2.5293 C[C@@H](Nc1cc(ccn1)F)c2ccccc2 27a_100000751104_100000764206 [1,0,0,0,0,1|2,0,0]=4 478 B17R2.5293 C[C@@H](Nc1cc(ncn1)O)c2ccccc2 27a_100000751104_100000765262 [1,0,0,0,0,1|2,0,0]=4 479 B17R2.5293 C[C@@H](Nc1nccc(n1)O)c2ccccc2 27a_100000751104_100011649813 [1,0,0,0,0,1|2,0,0]=4 480 B17R2.5293 Cc1ccnc(c1)CC(C)c2ccccc2 271570a_100000062452_100000750283 [1,0,0,0,0,1|2,0,0]=4 481 B17R2.5293 Cc1ccnc(c1)SC(C)c2ccccc2 62a_100000230085_100000750283 [1,0,0,0,0,1|2,0,0]=4 482 B17R2.5293 Cc1ccnc(c1)SC(C)c2ccccc2 62a_100000750283_100000230085 [1,0,0,0,0,1|2,0,0]=4 483 B17R2.5293 Cc1cnnc(c1)CC(C)c2ccccc2 271570a_100000062452_100000070100 [1,0,0,0,0,1|1,0,1]=4 484 B17R2.5293 Cc1cnnc(c1)N[C@H](C)c2ccccc2 27a_100000751104_100000070100 [1,0,0,0,0,1|1,0,1]=4 485 B17R2.5293 Cc1cnnc(c1)OC(C)c2ccccc2 34a_100000766097_100000211855 [1,0,0,0,0,1|1,0,1]=4 486 B17R2.5293 Cc1cnnc(c1)SC(C)c2ccccc2 62a_100000070100_100000230085 [1,0,0,0,0,1|1,0,1]=4 487 B17R2.5293 Cc1cnnc(c1)SC(C)c2ccccc2 62a_100000230085_100000070100 [1,0,0,0,0,1|1,0,1]=4 488 B19R2.281 CC(Cc1ccccc1)Sc2c[nH]c(=O)c(c2)Br 62a_100010125443_200011218536 [0,0,0,0,0,2|2,0,0]=4 489 B19R2.281 CC(Cc1ccccc1)Sc2c[nH]c(=O)c(c2)Br 62a_200011218536_100010125443 [0,0,0,0,0,2|2,0,0]=4 490 B19R2.281 CC(Cc1ccccc1)Sc2c[nH]c(=O)c(c2)F 62a_100000723523_200011218536 [0,0,0,0,0,2|2,0,0]=4 491 B19R2.281 CC(Cc1ccccc1)Sc2c[nH]c(=O)c(c2)F 62a_200011218536_100000723523 [0,0,0,0,0,2|2,0,0]=4 492 B19R2.281 CC(Cc1ccccc1)Sc2c[nH]c(=O)c(c2)O 62a_200011218536_100009814561 [0,0,0,0,0,2|1,0,0]=3 493 B19R2.281 CC(Cc1ccccc1)Sc2cc(c(=O)[nH]n2)N 62a_200011218536_100000102183 [0,0,0,0,0,2|1,0,0]=3 494 B19R2.281 CC(Cc1ccccc1)Sc2cc(c(cn2)F)O 62a_100009854642_200011218536 [0,0,0,0,0,2|2,0,0]=4 495 B19R2.281 CC(Cc1ccccc1)Sc2cc(c(cn2)F)O 62a_200011218536_100009854642 [0,0,0,0,0,2|2,0,0]=4 496 B19R2.281 Cc1cc(n[nH]c1=O)SC(C)Cc2ccccc2 62a_200011218536_100012187101 [0,0,0,0,0,2|1,0,0]=3 497 B19R2.281 Cc1cnc(cc1O)SC(C)Cc2ccccc2 62a_100000704368_200011218536 [0,0,0,0,0,2|2,0,0]=4 498 B19R2.281 Cc1cnc(cc1O)SC(C)Cc2ccccc2 62a_200011218536_100000704368 [0,0,0,0,0,2|2,0,0]=4 499 B19R2.11834 CC(CSc1c[nH]c(=O)c(c1)Br)c2ccccc2 62a_100000756946_100010125443 [0,0,0,0,0,2|2,0,0]=4 500 B19R2.11834 CC(CSc1c[nH]c(=O)c(c1)Br)c2ccccc2 62a_100010125443_100000756946 [0,0,0,0,0,2|2,0,0]=4 501 B19R2.11834 CC(CSc1c[nH]c(=O)c(c1)F)c2ccccc2 62a_100000723523_100000756946 [0,0,0,0,0,2|2,0,0]=4 502 B19R2.11834 CC(CSc1c[nH]c(=O)c(c1)F)c2ccccc2 62a_100000756946_100000723523 [0,0,0,0,0,2|2,0,0]=4 503 B19R2.11834 CC(CSc1c[nH]c(=O)c(c1)O)c2ccccc2 62a_100000756946_100009814561 [0,0,0,0,0,2|1,0,0]=3 504 B19R2.11834 CC(CSc1cc(c(=O)[nH]n1)N)c2ccccc2 62a_100000756946_100000102183 [0,0,0,0,0,2|1,0,0]=3 505 B19R2.11834 CC(CSc1cc(c(cn1)F)O)c2ccccc2 62a_100000756946_100009854642 [0,0,0,0,0,2|2,0,0]=4 506 B19R2.11834 CC(CSc1cc(c(cn1)F)O)c2ccccc2 62a_100009854642_100000756946 [0,0,0,0,0,2|2,0,0]=4 507 B19R2.11834 C[C@@H](NCc1c[nH]c(=O)c(c1)Cl)c2ccccc2 207a_100000751104_100000051075 [0,0,0,0,0,2|2,0,0]=4 508 B19R2.11834 C[C@@H](NCc1c[nH]c(=O)c(c1)Cl)c2ccccc2 270004a_100000751104_100000051075 [0,0,0,0,0,2|2,0,0]=4 509 B19R2.11834 Cc1cc(n[nH]c1=O)SCC(C)c2ccccc2 62a_100000756946_100012187101 [0,0,0,0,0,2|1,0,0]=3 510 B19R2.11834 Cc1cc(n[nH]c1=O)SCC(O)c2ccccc2 62a_100000185958_100012187101 [0,0,0,0,0,2|2,0,0]=4 511 B19R2.11834 Cc1cc(n[nH]c1=O)SC[C@@H](O)c2ccccc2 62a_100011933945_100012187101 [0,0,0,0,0,2|2,0,0]=4 512 B19R2.11834 Cc1cnc(cc1O)SCC(C)c2ccccc2 62a_100000704368_100000756946 [0,0,0,0,0,2|2,0,0]=4 513 B19R2.11834 Cc1cnc(cc1O)SCC(C)c2ccccc2 62a_100000756946_100000704368 [0,0,0,0,0,2|2,0,0]=4 514 B19R2.11834 Nc1cc(n[nH]c1=O)SCC(O)c2ccccc2 62a_100000185958_100000102183 [0,0,0,0,0,2|2,0,0]=4 515 B19R2.11834 Nc1cc(n[nH]c1=O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000102183 [0,0,0,0,0,2|2,0,0]=4 516 B19R2.11834 O=c1[nH]cc(cc1O)SCC(O)c2ccccc2 62a_100000185958_100009814561 [0,0,0,0,0,2|2,0,0]=4 517 B19R2.11834 O=c1[nH]cc(cc1O)SC[C@@H](O)c2ccccc2 62a_100011933945_100009814561 [0,0,0,0,0,2|2,0,0]=4