0 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.612 Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049534 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.612 Cc1ccn2c(cnc2c1)O 271570a_203496583355_100011934683 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.612 Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100009816850 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.612 Cc1n[nH]c2c1cnc(c2)O 271570a_203496583355_100000700029 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.612 Cc1ncc2n1ccc(c2)O 271570a_203496583355_100000730832 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.612 Cc1nnc2n1ccc(c2)O 271570a_203496583355_100010163533 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.612 Cc1noc2c1ccc(c2)O 271570a_203496583355_100009815287 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.612 Cn1ncc2c1ccc(c2)O 271570a_203496583355_100009817176 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.612 Cn1nnc2c1ccc(c2)O 271570a_203496583355_100000724718 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.612 NC1COc2c1ccc(c2)O 271570a_203496583355_100020628175 [0,0,0,0,0,0|3,0,1]=4 12 B12R2.612 Nc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100009816878 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.612 Nc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100011934401 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.612 Nc1n[nH]c2c1ncc(c2)O 271570a_203496583355_100010187618 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.612 Nc1noc2c1ccc(c2)O 271570a_203496583355_100012356334 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.612 O=C1C=Cc2c1ccc(c2)O 271570a_203496583355_100010210589 [0,0,0,0,0,0|3,0,1]=4 17 B12R2.612 O=C1CCc2c1ccc(c2)O 271570a_203496583355_100000737041 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.612 O=C1COc2c1ccc(c2)O 271570a_203496583355_100000686717 [0,0,0,0,0,0|2,0,1]=3 19 B12R2.612 O=C1NCc2c1ccc(c2)O 271570a_203496583355_100000692135 [0,0,0,0,0,0|2,0,2]=4 20 B12R2.612 O=C1OCc2c1ccc(c2)O 271570a_203496583355_100009816608 [0,0,0,0,0,0|3,0,1]=4 21 B12R2.612 O=c1[nH][nH]c2c1ccc(c2)O 271570a_203496583355_100012353722 [0,0,0,0,0,0|2,0,2]=4 22 B12R2.612 Oc1ccc2c(c1)CCC2O 271570a_203496583355_100000747877 [0,0,0,0,0,0|3,0,1]=4 23 B12R2.612 Oc1ccc2c(noc2c1)O 271570a_203496583355_100000727085 [0,0,0,0,0,0|1,0,0]=1 24 B12R2.612 Oc1cnc2n1ccc(c2)Br 271570a_203496583355_100010730183 [0,0,0,0,0,0|3,1,0]=4 25 B12R2.612 Oc1cnc2n1ccc(c2)F 271570a_203496583355_100020640160 [0,0,0,0,0,0|3,1,0]=4 26 B12R2.612 Oc1n[nH]c2c1ccc(c2)Br 271570a_203496583355_100010186045 [0,0,0,0,0,0|1,1,0]=2 27 B12R2.612 Oc1n[nH]c2c1ccc(c2)Cl 271570a_203496583355_100000049627 [0,0,0,0,0,0|1,0,0]=1 28 B12R2.612 Oc1n[nH]c2c1ccc(c2)F 271570a_203496583355_100000049990 [0,0,0,0,0,0|1,1,0]=2 29 B12R2.612 Oc1n[nH]c2c1ncc(c2)Br 271570a_203496583355_100010289622 [0,0,0,0,0,0|2,1,0]=3 30 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,0,0,0,0,0|3,0,0]=4 32 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [1,0,0,0,0,0|3,0,0]=4 34 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [1,0,0,0,0,0|3,0,0]=4 35 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [1,0,0,0,0,0|3,0,0]=4 36 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,0,0|1,0,0]=2 37 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,0,0,0|2,0,0]=3 38 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,0,0|1,1,0]=3 39 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [1,0,0,0,0,0|2,1,0]=4 40 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [1,0,0,0,0,0|2,1,0]=4 41 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [1,0,0,0,0,0|2,1,0]=4 42 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [1,0,0,0,0,0|2,1,0]=4 43 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,0,0,0|1,0,0]=2 44 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [1,0,0,0,0,0|2,0,0]=3 45 B11R2.1 Oc1n[nH]c2c1ccnc2 271570a_203496583355_100010244369 [1,0,0,0,0,0|2,0,0]=3 46 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [1,0,0,0,0,0|2,0,0]=3 47 B11R2.1 Oc1n[nH]c2c1cncn2 271570a_203496583355_100009875510 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.1 Oc1n[nH]c2c1nccc2 271570a_203496583355_100009817118 [1,0,0,0,0,0|2,0,0]=3 49 B11R2.1 Oc1n[nH]c2c1nccn2 271570a_203496583355_100009819591 [1,0,0,0,0,0|3,0,0]=4 50 B11R2.1 Oc1ncn2c1cccc2 271570a_203496583355_100000688344 [1,0,0,0,0,0|2,0,0]=3 51 B11R2.1 Oc1nnc2n1cccc2 271570a_203496583355_100000699609 [1,0,0,0,0,0|2,0,0]=3 52 B11R2.36 Oc1cc2[nH]ncc2cn1 271570a_203496583355_100009872621 [1,0,0,0,0,0|3,0,0]=4 53 B11R2.36 Oc1ccc2[nH]ncc2c1 271570a_203496583355_100000049815 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,0,0,0|3,0,0]=4 55 B11R2.36 Oc1ccc2c(c1)OCC2 271570a_203496583355_100009818566 [1,0,0,0,0,0|2,0,1]=4 56 B11R2.36 Oc1ccc2c(c1)OCO2 271570a_203496583355_100000688060 [1,0,0,0,0,0|3,0,0]=4 57 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,0,0,0|3,0,0]=4 58 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,0,0,0|2,0,0]=3 59 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,0,0,0|2,1,0]=4 60 B11R2.36 Oc1ccc2cn[nH]c2c1 271570a_203496583355_100000049514 [1,0,0,0,0,0|2,0,0]=3 61 B11R2.36 Oc1ccc2cn[nH]c2n1 271570a_203496583355_100009883947 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.36 Oc1ccc2cncn2c1 271570a_203496583355_100009887162 [1,0,0,0,0,0|3,0,0]=4 63 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [1,0,0,0,0,0|1,0,0]=2 64 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [1,0,0,0,0,0|3,0,0]=4 65 B11R2.36 Oc1ccc2csnc2c1 271570a_203496583355_100010170880 [1,0,0,0,0,0|3,0,0]=4 66 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [1,0,0,0,0,0|3,0,0]=4 67 B11R2.36 Oc1ccc2nn[nH]c2c1 271570a_203496583355_100009817464 [1,0,0,0,0,0|3,0,0]=4 68 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [1,0,0,0,0,0|3,0,0]=4 69 B11R2.36 Oc1ccn2cnnc2c1 271570a_203496583355_100009819662 [1,0,0,0,0,0|3,0,0]=4 70 B11R2.36 Oc1cnc2cn[nH]c2c1 271570a_203496583355_100009844038 [1,0,0,0,0,0|3,0,0]=4 71 B13R2.662 C=Cc1n[nH]c2c1ccc(c2)Br 271570a_100011290941_100010186045 [0,1,0,0,0,0|2,1,0]=4 72 B13R2.662 C=Cc1n[nH]c2c1ccc(c2)C 271570a_100011290941_100000049534 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.662 C=Cc1n[nH]c2c1ccc(c2)Cl 271570a_100011290941_100000049627 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.662 C=Cc1n[nH]c2c1ccc(c2)F 271570a_100011290941_100000049990 [0,1,0,0,0,0|2,1,0]=4 75 B13R2.662 C=Cc1n[nH]c2c1ccc(c2)N 271570a_100011290941_100009816878 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.662 CN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_200000210301 [0,1,0,0,0,0|2,0,1]=4 77 B13R2.662 COC1CCc2c1ccc(c2)Cl 34a_100012002497_200000210301 [0,1,0,0,0,0|2,0,1]=4 78 B13R2.662 COC1CCc2c1ccc(c2)Cl 7a_100012002497_200000210301 [0,1,0,0,0,0|2,0,1]=4 79 B13R2.662 COc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100010742842 [0,1,0,0,0,0|2,0,0]=3 80 B13R2.662 CSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_200000210301 [0,1,0,0,0,0|1,2,0]=4 81 B13R2.662 CSc1n[nH]c2c1ccc(c2)Br 62a_200000210301_100010186045 [0,1,0,0,0,0|1,2,0]=4 82 B13R2.662 CSc1n[nH]c2c1ccc(c2)C 62a_200000210301_100000049534 [0,1,0,0,0,0|2,1,0]=4 83 B13R2.662 CSc1n[nH]c2c1ccc(c2)Cl 62a_200000210301_100000049627 [0,1,0,0,0,0|1,1,0]=3 84 B13R2.662 CSc1n[nH]c2c1ccc(c2)F 62a_200000210301_100000049990 [0,1,0,0,0,0|1,2,0]=4 85 B13R2.662 CSc1n[nH]c2c1ccc(c2)N 62a_200000210301_100009816878 [0,1,0,0,0,0|2,1,0]=4 86 B13R2.662 CSc1n[nH]c2c1ccc(n2)Cl 62a_200000210301_100010117091 [0,1,0,0,0,0|2,1,0]=4 87 B13R2.662 CSc1n[nH]c2c1cnc(c2)Cl 62a_200000210301_100010134411 [0,1,0,0,0,0|2,1,0]=4 88 B13R2.662 Cc1ccc2c(n[nH]c2c1)S[13CH3] 62a_200025704644_100000049534 [0,1,0,0,0,0|2,1,0]=4 89 B13R2.662 N#Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100010171363 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.662 O=Cc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100009817233 [0,1,0,0,0,0|2,0,1]=4 91 B13R2.662 OCc1n[nH]c2c1ccc(c2)O 271570a_203496583355_100010177469 [0,1,0,0,0,0|2,0,0]=3 92 B13R2.662 [13CH3]N[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_200025704644 [0,1,0,0,0,0|2,0,1]=4 93 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 34a_100012002497_200025704644 [0,1,0,0,0,0|2,0,1]=4 94 B13R2.662 [13CH3]OC1CCc2c1ccc(c2)Cl 7a_100012002497_200025704644 [0,1,0,0,0,0|2,0,1]=4 95 B13R2.662 [13CH3]Sc1n[nH]c2c1ccc(c2)Br 62a_100010186045_200025704644 [0,1,0,0,0,0|1,2,0]=4 96 B13R2.662 [13CH3]Sc1n[nH]c2c1ccc(c2)Br 62a_200025704644_100010186045 [0,1,0,0,0,0|1,2,0]=4 97 B13R2.662 [13CH3]Sc1n[nH]c2c1ccc(c2)Cl 62a_200025704644_100000049627 [0,1,0,0,0,0|1,1,0]=3 98 B13R2.662 [13CH3]Sc1n[nH]c2c1ccc(c2)F 62a_200025704644_100000049990 [0,1,0,0,0,0|1,2,0]=4 99 B13R2.662 [13CH3]Sc1n[nH]c2c1ccc(c2)N 62a_200025704644_100009816878 [0,1,0,0,0,0|2,1,0]=4 100 B13R2.662 [13CH3]Sc1n[nH]c2c1ccc(n2)Cl 62a_200025704644_100010117091 [0,1,0,0,0,0|2,1,0]=4 101 B13R2.662 [13CH3]Sc1n[nH]c2c1cnc(c2)Cl 62a_200025704644_100010134411 [0,1,0,0,0,0|2,1,0]=4 102 B13R2.2130 C=Cc1ccc2c(c1)OCC2=O 271570a_100011290941_100000686717 [0,1,0,0,0,0|2,0,1]=4 103 B13R2.2130 C=Cc1ccc2c(coc2c1)C 271570a_100011290941_100010775837 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.2130 C=Cc1ccc2c(n[nH]c2c1)C 271570a_100011290941_100009816850 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.2130 C=Cc1ccc2c(n[nH]c2c1)N 271570a_100011290941_100011934401 [0,1,0,0,0,0|3,0,0]=4 106 B13R2.2130 C=Cc1ccc2c(noc2c1)C 271570a_100011290941_100009815287 [0,1,0,0,0,0|2,0,0]=3 107 B13R2.2130 C=Cc1ccc2c(noc2c1)N 271570a_100011290941_100012356334 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.2130 C=Cc1ccc2c(noc2c1)O 271570a_100011290941_100000727085 [0,1,0,0,0,0|1,0,0]=2 109 B13R2.2130 COc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049672 [0,1,0,0,0,0|2,0,0]=3 110 B13R2.2130 COc1ccc2c(noc2c1)C 34a_200000076027_200000210301 [0,1,0,0,0,0|2,0,0]=3 111 B13R2.2130 CSc1ccc2c(c1)OCC2=O 62a_200000210301_100000686717 [0,1,0,0,0,0|2,0,1]=4 112 B13R2.2130 CSc1ccc2c(coc2c1)C 62a_200000210301_100010775837 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.2130 CSc1ccc2c(n[nH]c2c1)C 62a_200000210301_100009816850 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.2130 CSc1ccc2c(noc2c1)C 62a_100009815287_200000210301 [0,1,0,0,0,0|2,0,0]=3 115 B13R2.2130 CSc1ccc2c(noc2c1)C 62a_200000210301_100009815287 [0,1,0,0,0,0|2,0,0]=3 116 B13R2.2130 CSc1ccc2c(noc2c1)N 62a_100012356334_200000210301 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.2130 CSc1ccc2c(noc2c1)N 62a_200000210301_100012356334 [0,1,0,0,0,0|2,0,0]=3 118 B13R2.2130 Cc1coc2c1ccc(c2)S[13CH3] 62a_200025704644_100010775837 [0,1,0,0,0,0|3,0,0]=4 119 B13R2.2130 Cc1n[nH]c2c1ccc(c2)S[13CH3] 62a_200025704644_100009816850 [0,1,0,0,0,0|3,0,0]=4 120 B13R2.2130 Cc1noc2c1ccc(c2)O[13CH3] 34a_200000076027_200025704644 [0,1,0,0,0,0|2,0,0]=3 121 B13R2.2130 Cc1noc2c1ccc(c2)S[13CH3] 62a_100009815287_200025704644 [0,1,0,0,0,0|2,0,0]=3 122 B13R2.2130 Cc1noc2c1ccc(c2)S[13CH3] 62a_200025704644_100009815287 [0,1,0,0,0,0|2,0,0]=3 123 B13R2.2130 N#Cc1ccc2c(c[nH]c2c1)O 271570a_203496583355_200014310816 [0,1,0,0,0,0|3,0,0]=4 124 B13R2.2130 N#Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100010232206 [0,1,0,0,0,0|2,0,0]=3 125 B13R2.2130 O=Cc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100010231508 [0,1,0,0,0,0|2,0,0]=3 126 B13R2.2130 [13CH3]Sc1ccc2c(c1)OCC2=O 62a_200025704644_100000686717 [0,1,0,0,0,0|2,0,1]=4 127 B13R2.2130 [13CH3]Sc1ccc2c(noc2c1)N 62a_100012356334_200025704644 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.2130 [13CH3]Sc1ccc2c(noc2c1)N 62a_200025704644_100012356334 [0,1,0,0,0,0|2,0,0]=3 129 B13R2.5187 Cc1ccc2c(nn(c2c1)C)O 271570a_203496583355_100010073239 [0,1,0,0,0,0|2,0,0]=3 130 B13R2.5187 Cc1nn(c2c1ccc(c2)O)C 271570a_203496583355_100010255092 [0,1,0,0,0,0|3,0,0]=4 131 B13R2.5187 Cn1nc(c2c1cc(cc2)Br)O 271570a_203496583355_100010161269 [0,1,0,0,0,0|1,1,0]=3 132 B13R2.5187 Cn1nc(c2c1cc(cc2)F)O 271570a_203496583355_100010161261 [0,1,0,0,0,0|1,1,0]=3 133 B13R2.5187 Cn1nc(c2c1cc(cc2)N)O 271570a_203496583355_100010163569 [0,1,0,0,0,0|2,0,0]=3 134 B13R2.5187 Cn1nc(c2c1cc(cc2)O)N 271570a_203496583355_100010244983 [0,1,0,0,0,0|3,0,0]=4 135 B13R2.11634 Cc1cc2[nH]nc(c2cc1Br)O 271570a_203496583355_200015481476 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.11634 Cc1cc2[nH]nc(c2cc1N)O 271570a_203496583355_100010199655 [0,1,0,0,0,0|2,0,0]=3 137 B13R2.11634 Cc1n[nH]c2c1cc(c(c2)O)F 271570a_203496583355_100010264033 [0,1,0,0,0,0|3,0,0]=4 138 B13R2.11634 Oc1n[nH]c2c1cc(c(c2)Br)F 271570a_203496583355_100010144800 [0,1,0,0,0,0|1,1,0]=3 139 B13R2.11634 Oc1n[nH]c2c1cc(c(c2)Cl)Br 271570a_203496583355_100025705592 [0,1,0,0,0,0|1,0,0]=2 140 B13R2.11634 Oc1n[nH]c2c1cc(c(c2)Cl)Cl 271570a_203496583355_100010977401 [0,1,0,0,0,0|1,0,0]=2 141 B13R2.11634 Oc1n[nH]c2c1cc(c(c2)F)Br 271570a_203496583355_100010170943 [0,1,0,0,0,0|1,1,0]=3 142 B13R2.11642 Cc1cc(c2c(nsc2n1)O)C 271570a_203496583355_200009998358 [0,1,0,0,0,0|2,1,0]=4 143 B13R2.11642 Nc1n[nH]c2c1c(cc(c2)O)F 271570a_203496583355_100010779177 [0,1,0,0,0,0|3,0,0]=4 144 B13R2.11642 Oc1n[nH]c2c1c(cc(c2)Br)Cl 271570a_203496583355_100010186188 [0,1,0,0,0,0|1,1,0]=3 145 B13R2.11642 Oc1n[nH]c2c1c(cc(c2)Cl)Cl 271570a_203496583355_200010186120 [0,1,0,0,0,0|1,0,0]=2 146 B13R2.11642 Oc1n[nH]c2c1c(cc(c2)Cl)F 271570a_203496583355_100000049905 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,0,1,0,0,0|2,0,1]=4 148 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,0,1,0,0,0|1,0,2]=4 149 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,0,1,0,0,0|1,0,2]=4 150 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,0,1,0,0,0|1,0,2]=4 151 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,0,1,0,0,0|1,0,2]=4 152 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,0,1,0,0,0|2,0,1]=4 153 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,0,1,0,0,0|2,0,1]=4 154 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,0,1,0,0,0|2,0,1]=4 155 B11R1.24 C#CCOc1cccc(c1)Cl 34a_100000210295_100000184674 [0,0,1,0,0,0|2,0,1]=4 156 B11R1.24 C#CCOc1cccc(c1)Cl 7a_100000210295_100000038162 [0,0,1,0,0,0|2,0,1]=4 157 B11R1.24 C=CCNc1cccc(c1)Cl 34a_100000185859_100015514636 [0,0,1,0,0,0|3,0,0]=4 158 B11R1.24 C=CCOc1cccc(c1)Br 34a_100000210342_100015514636 [0,0,1,0,0,0|2,1,0]=4 159 B11R1.24 C=CCOc1cccc(c1)Br 7a_100000210342_100015514636 [0,0,1,0,0,0|2,1,0]=4 160 B11R1.24 C=CCOc1cccc(c1)C 34a_100000210337_100015514636 [0,0,1,0,0,0|3,0,0]=4 161 B11R1.24 C=CCOc1cccc(c1)C 7a_100000210337_100015514636 [0,0,1,0,0,0|3,0,0]=4 162 B11R1.24 C=CCOc1cccc(c1)Cl 34a_100000210295_100015514636 [0,0,1,0,0,0|2,0,0]=3 163 B11R1.24 C=CCOc1cccc(c1)Cl 7a_100000210295_100015514636 [0,0,1,0,0,0|2,0,0]=3 164 B11R1.24 C=CCOc1cccc(c1)F 34a_100000210426_100015514636 [0,0,1,0,0,0|2,1,0]=4 165 B11R1.24 C=CCOc1cccc(c1)F 7a_100000210426_100015514636 [0,0,1,0,0,0|2,1,0]=4 166 B11R1.24 C=CCOc1cccc(c1)I 34a_100000211634_100015514636 [0,0,1,0,0,0|2,1,0]=4 167 B11R1.24 C=CCOc1cccc(c1)I 7a_100000211634_100015514636 [0,0,1,0,0,0|2,1,0]=4 168 B11R1.24 C=CCOc1cccc(c1)N 34a_100000210217_100015514636 [0,0,1,0,0,0|3,0,0]=4 169 B11R1.24 C=CCOc1ccnc(c1)Cl 34a_100000762945_100015514636 [0,0,1,0,0,0|3,0,0]=4 170 B11R1.24 C=CCOc1cncc(c1)Cl 7a_100000032511_100015514636 [0,0,1,0,0,0|3,0,0]=4 171 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000210623_100000699651 [0,0,1,0,0,0|2,1,0]=4 172 B11R1.24 C=CCSc1cccc(c1)Cl 62a_100000699651_100000210623 [0,0,1,0,0,0|2,1,0]=4 173 B11R1.24 CC=NNc1cc(ccn1)Cl 4a_100102524961_200000210099 [0,0,1,0,0,0|3,0,0]=4 174 B11R1.24 CC=NNc1cccc(c1)Br 4a_100000217339_200000210099 [0,0,1,0,0,0|2,1,0]=4 175 B11R1.24 CC=NNc1cccc(c1)C 4a_100000681630_200000210099 [0,0,1,0,0,0|3,0,0]=4 176 B11R1.24 CC=NNc1cccc(c1)Cl 4a_100000184277_200000210099 [0,0,1,0,0,0|2,0,0]=3 177 B11R1.24 CC=NNc1cccc(c1)F 4a_100000745080_200000210099 [0,0,1,0,0,0|2,1,0]=4 178 B11R1.24 CC=NNc1cccc(c1)I 4a_100020605690_200000210099 [0,0,1,0,0,0|2,1,0]=4 179 B11R1.24 CC=NNc1cccc(n1)Cl 4a_100102524919_200000210099 [0,0,1,0,0,0|3,0,0]=4 180 B11R1.24 CC=NNc1ccnc(c1)Cl 4a_100000089018_200000210099 [0,0,1,0,0,0|3,0,0]=4 181 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [0,0,1,0,0,0|2,0,1]=4 182 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [0,0,1,0,0,0|2,0,1]=4 183 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [0,0,1,0,0,0|3,0,0]=4 184 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [0,0,1,0,0,0|2,0,1]=4 185 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [0,0,1,0,0,0|2,0,1]=4 186 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [0,0,1,0,0,0|2,0,1]=4 187 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [0,0,1,0,0,0|2,0,1]=4 188 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [0,0,1,0,0,0|2,0,1]=4 189 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [0,0,1,0,0,0|2,0,1]=4 190 B11R1.24 N#CCOc1cccc(c1)Cl 7a_100000210295_100011215382 [0,0,1,0,0,0|2,0,1]=4 191 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [0,0,1,0,0,0|2,0,1]=4 192 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [0,0,1,0,0,0|2,0,1]=4 193 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [0,0,1,0,0,0|2,0,1]=4 194 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [0,0,1,0,0,0|1,1,1]=4 195 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [0,0,1,0,0,0|1,1,1]=4 196 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [0,0,1,0,0,0|1,0,1]=3 197 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [0,0,1,0,0,0|1,0,1]=3 198 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [0,0,1,0,0,0|1,1,1]=4 199 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [0,0,1,0,0,0|1,1,1]=4 200 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [0,0,1,0,0,0|1,1,1]=4 201 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [0,0,1,0,0,0|1,1,1]=4 202 B11R1.24 O=CCOc1ccnc(c1)Cl 34a_100000762945_200009817547 [0,0,1,0,0,0|2,0,1]=4 203 B11R1.24 O=CCOc1cncc(c1)Cl 7a_100000032511_200015260668 [0,0,1,0,0,0|2,0,1]=4 204 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [0,0,1,0,0,0|1,1,1]=4 205 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [0,0,1,0,0,0|1,1,1]=4 206 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [0,0,1,0,0,0|2,0,1]=4 207 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [0,0,1,0,0,0|1,1,1]=4 208 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [0,0,1,0,0,0|1,1,1]=4 209 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [0,0,1,0,0,0|1,0,1]=3 210 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [0,0,1,0,0,0|1,0,1]=3 211 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [0,0,1,0,0,0|1,1,1]=4 212 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [0,0,1,0,0,0|1,1,1]=4 213 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [0,0,1,0,0,0|1,1,1]=4 214 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [0,0,1,0,0,0|1,1,1]=4 215 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [0,0,1,0,0,0|2,0,1]=4 216 B11R1.24 OCCOc1ccnc(c1)Cl 34a_100000762945_100000211926 [0,0,1,0,0,0|2,0,1]=4 217 B11R1.24 OCCOc1cncc(c1)Cl 7a_100000032511_100000211926 [0,0,1,0,0,0|2,0,1]=4 218 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [0,0,1,0,0,0|1,1,1]=4 219 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [0,0,1,0,0,0|1,1,1]=4 220 B11R1.37 C=Cc1cc(ccc1CO)Cl 271570a_100011290941_100000722340 [0,0,1,0,0,0|2,0,1]=4 221 B11R1.37 C=Cc1ccc(cc1C#N)Cl 271570a_100011290941_200011356825 [0,0,1,0,0,0|2,0,1]=4 222 B11R1.37 C=Cc1ccc(cc1C=O)Cl 271570a_100011290941_100010254386 [0,0,1,0,0,0|3,0,0]=4 223 B11R1.37 C=Cc1ccc(cc1OC)Br 271570a_100011290941_100010245111 [0,0,1,0,0,0|2,1,0]=4 224 B11R1.37 C=Cc1ccc(cc1OC)C 271570a_100011290941_100010200004 [0,0,1,0,0,0|3,0,0]=4 225 B11R1.37 C=Cc1ccc(cc1OC)Cl 271570a_100011290941_100000050115 [0,0,1,0,0,0|2,0,0]=3 226 B11R1.37 C=Cc1ccc(cc1OC)F 271570a_100011290941_100000757151 [0,0,1,0,0,0|2,1,0]=4 227 B11R1.37 C=Cc1ccc(cc1OC)N 271570a_100011290941_100000765947 [0,0,1,0,0,0|3,0,0]=4 228 B11R1.37 C=Cc1ccc(cc1OC)O 271570a_100011290941_100011827694 [0,0,1,0,0,0|3,0,0]=4 229 B11R1.37 C=Cc1cnc(cc1OC)Cl 271570a_100011290941_100010154656 [0,0,1,0,0,0|3,0,0]=4 230 B11R1.37 CNc1cc(ccc1CO)Cl 34a_100000238622_200000210301 [0,0,1,0,0,0|2,0,1]=4 231 B11R1.37 CNc1ccc(cc1OC)Cl 34a_100000707585_200000210301 [0,0,1,0,0,0|3,0,0]=4 232 B11R1.37 COc1cc(ccc1C#N)Cl 34a_100000688488_200000210301 [0,0,1,0,0,0|2,0,1]=4 233 B11R1.37 COc1cc(ccc1C#N)Cl 7a_100000688488_200000210301 [0,0,1,0,0,0|2,0,1]=4 234 B11R1.37 COc1cc(ccc1C=O)O 271570a_203496583355_100000697075 [0,0,1,0,0,0|2,0,1]=4 235 B11R1.37 COc1cc(ccc1CO)Br 34a_100000071718_200000210301 [0,0,1,0,0,0|1,1,1]=4 236 B11R1.37 COc1cc(ccc1CO)Br 7a_100000071718_200000210301 [0,0,1,0,0,0|1,1,1]=4 237 B11R1.37 COc1cc(ccc1CO)O 271570a_203496583355_100011277633 [0,0,1,0,0,0|2,0,1]=4 238 B11R1.37 COc1cc(ccc1N[13CH3])Cl 34a_100000707585_200025704644 [0,0,1,0,0,0|3,0,0]=4 239 B11R1.37 COc1cc(ccc1O[13CH3])Cl 34a_100000033002_200025704644 [0,0,1,0,0,0|3,0,0]=4 240 B11R1.37 COc1cc(ccc1SC)Cl 62a_100000050115_200000210301 [0,0,1,0,0,0|3,0,0]=4 241 B11R1.37 COc1cc(ccc1SC)Cl 62a_200000210301_100000050115 [0,0,1,0,0,0|3,0,0]=4 242 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_100000050115_200025704644 [0,0,1,0,0,0|3,0,0]=4 243 B11R1.37 COc1cc(ccc1S[13CH3])Cl 62a_200025704644_100000050115 [0,0,1,0,0,0|3,0,0]=4 244 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000033002_200000210301 [0,0,1,0,0,0|3,0,0]=4 245 B11R1.37 COc1ccc(cc1OC)Cl 34a_100000101779_200000210301 [0,0,1,0,0,0|3,0,0]=4 246 B11R1.37 COc1ccc(cc1OC)Cl 7a_100000101779_200000210301 [0,0,1,0,0,0|3,0,0]=4 247 B11R1.37 COc1ccc(cc1O[13CH3])Cl 34a_100000101779_200025704644 [0,0,1,0,0,0|3,0,0]=4 248 B11R1.37 COc1ccc(cc1O[13CH3])Cl 7a_100000101779_200025704644 [0,0,1,0,0,0|3,0,0]=4 249 B11R1.37 CSc1cc(ccc1CO)Cl 62a_100000722340_200000210301 [0,0,1,0,0,0|1,1,1]=4 250 B11R1.37 CSc1cc(ccc1CO)Cl 62a_200000210301_100000722340 [0,0,1,0,0,0|1,1,1]=4 251 B11R1.37 [13CH3]Nc1cc(ccc1CO)Cl 34a_100000238622_200025704644 [0,0,1,0,0,0|2,0,1]=4 252 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 34a_100000688488_200025704644 [0,0,1,0,0,0|2,0,1]=4 253 B11R1.37 [13CH3]Oc1cc(ccc1C#N)Cl 7a_100000688488_200025704644 [0,0,1,0,0,0|2,0,1]=4 254 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 34a_100000071718_200025704644 [0,0,1,0,0,0|1,1,1]=4 255 B11R1.37 [13CH3]Oc1cc(ccc1CO)Br 7a_100000071718_200025704644 [0,0,1,0,0,0|1,1,1]=4 256 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_100000722340_200025704644 [0,0,1,0,0,0|1,1,1]=4 257 B11R1.37 [13CH3]Sc1cc(ccc1CO)Cl 62a_200025704644_100000722340 [0,0,1,0,0,0|1,1,1]=4 258 B11R1.39 C=CC(=O)Cc1cc(no1)Br 1458a_100000185746_100000709089 [0,0,1,0,0,0|2,0,1]=4 259 B11R1.39 C=CC(=O)Cc1cc(no1)C 1458a_100000185746_100000707947 [0,0,1,0,0,0|2,0,1]=4 260 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [0,0,1,0,0,0|3,0,0]=4 261 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,0,1,0,0,0|3,0,0]=4 262 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [0,0,1,0,0,0|3,0,0]=4 263 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [0,0,1,0,0,0|3,0,0]=4 264 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [0,0,1,0,0,0|3,0,0]=4 265 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [0,0,1,0,0,0|2,1,0]=4 266 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,0,1,0,0,0|3,0,0]=4 267 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [0,0,1,0,0,0|2,0,0]=3 268 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [0,0,1,0,0,0|2,1,0]=4 269 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,0,1,0,0,0|3,0,0]=4 270 B11R1.166 C=C(C)c1ncc(cc1O)Cl 271570a_100000694244_100010233512 [0,0,1,0,0,0|3,0,0]=4 271 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,0,1,0,0,0|2,0,1]=4 272 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,0,1,0,0,0|2,0,1]=4 273 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,0,1,0,0,0|2,0,1]=4 274 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,0,1,0,0,0|2,0,1]=4 275 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,0,1,0,0,0|2,0,1]=4 276 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,0,1,0,0,0|1,1,1]=4 277 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,0,1,0,0,0|2,0,1]=4 278 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,0,1,0,0,0|2,0,1]=4 279 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,0,1,0,0,0|1,0,1]=3 280 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,0,1,0,0,0|1,1,1]=4 281 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,0,1,0,0,0|1,1,1]=4 282 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,0,1,0,0,0|1,1,1]=4 283 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,0,1,0,0,0|2,0,1]=4 284 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,0,1,0,0,0|2,0,1]=4 285 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,0,1,0,0,0|2,0,1]=4 286 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,0,1,0,0,0|2,0,1]=4 287 B11R1.166 Cc1ccc(c(c1)O)B(O)O 271570a_203496583355_200011068827 [0,0,1,0,0,0|3,0,0]=4 288 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,0,1,0,0,0|2,0,1]=4 289 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,0,1,0,0,0|0,1,2]=4 290 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,0,1,0,0,0|0,1,2]=4 291 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,0,1,0,0,0|1,0,2]=4 292 B11R1.166 OB(O)c1ccc(cc1O)F 271570a_203496583355_100010175514 [0,0,1,0,0,0|2,1,0]=4 293 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [0,0,1,0,0,0|3,0,0]=4 294 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,0,1,0,0,0|2,0,1]=4 295 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,0,1,0,0,0|2,0,1]=4 296 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,0,1,0,0,0|2,0,1]=4 297 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,0,1,0,0,0|2,0,1]=4 298 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,0,1,0,0,0|1,1,1]=4 299 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,0,1,0,0,0|1,0,1]=3 300 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,0,1,0,0,0|1,1,1]=4 301 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,0,1,0,0,0|1,1,1]=4 302 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,0,1,0,0,0|2,0,1]=4 303 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [0,0,0,0,0,1|3,0,0]=4 304 B13R2.3683 Nc1cc2ccc(cc2cn1)O 271570a_203496583355_100010232990 [0,0,0,0,0,1|3,0,0]=4 305 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [0,0,0,0,0,1|3,0,0]=4 306 B13R2.3683 Nc1ccc2cc(cnc2c1)O 271570a_203496583355_200010264087 [0,0,0,0,0,1|3,0,0]=4 307 B13R2.3683 Nc1ccc2nc(cnc2c1)O 271570a_203496583355_100009885871 [0,0,0,0,0,1|3,0,0]=4 308 B13R2.3683 Nc1ncc2cc(ccc2n1)O 271570a_203496583355_100010138702 [0,0,0,0,0,1|3,0,0]=4 309 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [0,0,0,0,0,1|2,0,1]=4 310 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [0,0,0,0,0,1|2,1,0]=4 311 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [0,0,0,0,0,1|2,1,0]=4 312 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [0,0,0,0,0,1|3,0,0]=4 313 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [0,0,0,0,0,1|2,1,0]=4 314 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [0,0,0,0,0,1|3,0,0]=4 315 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [0,0,0,0,0,1|3,0,0]=4 316 B13R2.3683 Oc1ccc2nc(cnc2c1)O 271570a_203496583355_200010664160 [0,0,0,0,0,1|3,0,0]=4 317 B13R2.3683 Oc1cnc2cc(ccc2c1)Cl 271570a_203496583355_100015716233 [0,0,0,0,0,1|2,0,0]=3 318 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [0,0,0,0,0,1|3,0,0]=4 319 B13R2.3683 Oc1cnc2cc(ccc2n1)F 271570a_203496583355_100000098432 [0,0,0,0,0,1|2,1,0]=4 320 B13R2.5179 Cc1ccc2c(nccc2c1)O 271570a_203496583355_100000102439 [0,0,0,0,0,1|2,0,0]=3 321 B13R2.5179 Cc1ccc2c(ncnc2c1)O 271570a_203496583355_100000099684 [0,0,0,0,0,1|2,0,0]=3 322 B13R2.5179 Nc1nccc2c1ccc(c2)O 271570a_203496583355_100000732483 [0,0,0,0,0,1|3,0,0]=4 323 B13R2.5179 Nc1ncnc2c1ccc(c2)O 271570a_203496583355_100010199758 [0,0,0,0,0,1|3,0,0]=4 324 B13R2.5179 O=C1CCOc2c1ccc(c2)O 271570a_203496583355_100000696939 [0,0,0,0,0,1|2,0,1]=4 325 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [0,0,0,0,0,1|2,0,1]=4 326 B13R2.5179 Oc1cc2ccnc(c2cn1)O 271570a_203496583355_100020669822 [0,0,0,0,0,1|3,0,0]=4 327 B13R2.5179 Oc1ccc2c(c1)OCCC2O 271570a_203496583355_100012676011 [0,0,0,0,0,1|2,0,1]=4 328 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [0,0,0,0,0,1|3,0,0]=4 329 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045489 [0,0,0,0,0,1|3,0,0]=4 330 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000756855 [0,0,0,0,0,1|3,0,0]=4 331 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100000760485 [0,0,0,0,0,1|2,0,0]=3 332 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100009867704 [0,0,0,0,0,1|2,0,0]=3 333 B13R2.5179 Oc1ccc2c(ncnc2n1)O 271570a_203496583355_100000092995 [0,0,0,0,0,1|3,0,0]=4 334 B13R2.5179 Oc1ccc2c(nncc2c1)O 271570a_203496583355_100000724280 [0,0,0,0,0,1|2,0,0]=3 335 B13R2.5179 Oc1ccnc2c1ccc(c2)Cl 271570a_203496583355_100012352046 [0,0,0,0,0,1|2,0,0]=3 336 B13R2.5179 Oc1ccnc2c1ccc(c2)F 271570a_203496583355_100000755548 [0,0,0,0,0,1|2,1,0]=4 337 B13R2.5179 Oc1cnc2c(nccc2c1)O 271570a_203496583355_100010117065 [0,0,0,0,0,1|3,0,0]=4 338 B13R2.5179 Oc1nccc2c1ccc(c2)F 271570a_203496583355_100000097391 [0,0,0,0,0,1|1,1,0]=3 339 B13R2.5179 Oc1ncnc2c1ccc(c2)F 271570a_203496583355_100000230349 [0,0,0,0,0,1|1,1,0]=3 340 B10R1.1 C=C=Cc1ccc(cc1)Cl 271570a_100015277604_100000755918 [1,0,1,0,0,0|2,0,0]=4 341 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,0,1,0,0,0|2,0,0]=4 342 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,0,1,0,0,0|2,0,0]=4 343 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,1,0,0,0|1,0,1]=4 344 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,1,0,0,0|2,0,0]=4 345 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,1,0,0,0|1,0,1]=4 346 B10R1.10 C=C=Cc1cccc(c1)Cl 271570a_100015277604_100000699651 [1,0,1,0,0,0|2,0,0]=4 347 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,0,1,0,0,0|2,0,0]=4 348 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,0,1,0,0,0|1,0,1]=4 349 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,0,1,0,0,0|1,0,1]=4 350 B10R1.10 FCOc1cccc(c1)Cl 34a_100000210295_100015361967 [1,0,1,0,0,0|1,0,1]=4 351 B10R1.10 FCOc1cccc(c1)Cl 7a_100000210295_100015361967 [1,0,1,0,0,0|1,0,1]=4 352 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,1,0,0,0|2,0,0]=4 353 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,1,0,0,0|2,0,0]=4 354 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,1,0,0,0|2,0,0]=4 355 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,1,0,0,0|1,0,1]=4 356 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,1,0,0,0|1,0,1]=4 357 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,1,0,0,0|1,0,1]=4 358 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,1,0,0,0|1,0,1]=4 359 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [1,0,1,0,0,0|2,0,0]=4 360 B10R1.20 COc1ccccc1CO 34a_100011216872_200000210301 [1,0,1,0,0,0|1,0,1]=4 361 B10R1.20 [13CH3]Oc1ccccc1CO 34a_100011216872_200025704644 [1,0,1,0,0,0|1,0,1]=4 362 B10R1.25 C=Cc1ccc(cc1Br)Cl 271570a_100011290941_100011219703 [1,0,1,0,0,0|2,0,0]=4 363 B10R1.25 C=Cc1ccc(cc1C)Cl 271570a_100011290941_100011219607 [1,0,1,0,0,0|2,0,0]=4 364 B10R1.25 C=Cc1ccc(cc1Cl)Cl 271570a_100011290941_100000699841 [1,0,1,0,0,0|2,0,0]=4 365 B10R1.25 C=Cc1ccc(cc1F)Cl 271570a_100011290941_100011216042 [1,0,1,0,0,0|2,0,0]=4 366 B10R1.25 C=Cc1ccc(cc1N)Cl 271570a_100011290941_100000761886 [1,0,1,0,0,0|1,0,1]=4 367 B10R1.25 C=Cc1ccc(cc1O)Br 271570a_100011290941_100012344904 [1,0,1,0,0,0|1,1,0]=4 368 B10R1.25 C=Cc1ccc(cc1O)C 271570a_100011290941_100012002257 [1,0,1,0,0,0|2,0,0]=4 369 B10R1.25 C=Cc1ccc(cc1O)Cl 271570a_100011290941_100000050036 [1,0,1,0,0,0|1,0,0]=3 370 B10R1.25 C=Cc1ccc(cc1O)F 271570a_100011290941_100000690578 [1,0,1,0,0,0|1,1,0]=4 371 B10R1.25 C=Cc1ccc(cc1O)O 271570a_100011290941_100009813921 [1,0,1,0,0,0|2,0,0]=4 372 B10R1.25 C=Cc1ncc(cc1O)Cl 271570a_100011290941_100010233512 [1,0,1,0,0,0|2,0,0]=4 373 B10R1.25 CNc1ccc(cc1O)Cl 34a_100000185728_200000210301 [1,0,1,0,0,0|2,0,0]=4 374 B10R1.25 COc1ccc(cc1O)Cl 271570a_203496583355_100011215930 [1,0,1,0,0,0|2,0,0]=4 375 B10R1.25 CSc1ccc(cc1O)Cl 62a_100000050036_200000210301 [1,0,1,0,0,0|2,0,0]=4 376 B10R1.25 CSc1ccc(cc1O)Cl 62a_200000210301_100000050036 [1,0,1,0,0,0|2,0,0]=4 377 B10R1.25 Cc1ccc(c(c1)O)C=O 271570a_203496583355_100000692596 [1,0,1,0,0,0|1,0,1]=4 378 B10R1.25 N#Cc1ccc(cc1O)Cl 271570a_203496583355_100012355178 [1,0,1,0,0,0|0,0,2]=4 379 B10R1.25 O=Cc1ccc(cc1O)Br 271570a_203496583355_100010146562 [1,0,1,0,0,0|0,1,1]=4 380 B10R1.25 O=Cc1ccc(cc1O)F 271570a_203496583355_100000752949 [1,0,1,0,0,0|0,1,1]=4 381 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011236494 [1,0,1,0,0,0|1,0,1]=4 382 B10R1.25 O=Cc1ccc(cc1O)O 271570a_203496583355_100011277552 [1,0,1,0,0,0|1,0,1]=4 383 B10R1.25 OCc1ccc(cc1O)Br 271570a_203496583355_100010146605 [1,0,1,0,0,0|0,1,1]=4 384 B10R1.25 OCc1ccc(cc1O)Cl 271570a_203496583355_100000722340 [1,0,1,0,0,0|0,0,1]=3 385 B10R1.25 OCc1ccc(cc1O)F 271570a_203496583355_100000744086 [1,0,1,0,0,0|0,1,1]=4 386 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100000071718 [1,0,1,0,0,0|1,0,1]=4 387 B10R1.25 OCc1ccc(cc1O)O 271570a_203496583355_100010146404 [1,0,1,0,0,0|1,0,1]=4 388 B10R1.25 [13CH3]Nc1ccc(cc1O)Cl 34a_100000185728_200025704644 [1,0,1,0,0,0|2,0,0]=4 389 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_100000050036_200025704644 [1,0,1,0,0,0|2,0,0]=4 390 B10R1.25 [13CH3]Sc1ccc(cc1O)Cl 62a_200025704644_100000050036 [1,0,1,0,0,0|2,0,0]=4 391 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,0,1,0,0,0|2,0,0]=4 392 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,0,1,0,0,0|2,0,0]=4 393 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [1,0,1,0,0,0|2,0,0]=4 394 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [1,0,1,0,0,0|2,0,0]=4 395 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [1,0,1,0,0,0|1,0,1]=4 396 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [1,0,1,0,0,0|1,0,1]=4 397 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [1,0,1,0,0,0|2,0,0]=4 398 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [1,0,1,0,0,0|2,0,0]=4 399 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [1,0,1,0,0,0|2,0,0]=4 400 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [1,0,1,0,0,0|2,0,0]=4 401 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [1,0,1,0,0,0|2,0,0]=4 402 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [1,0,1,0,0,0|2,0,0]=4 403 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [1,0,1,0,0,0|2,0,0]=4 404 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [1,0,1,0,0,0|2,0,0]=4 405 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,0,1,0,0,0|1,1,0]=4 406 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,0,1,0,0,0|2,0,0]=4 407 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,0,1,0,0,0|1,0,0]=3 408 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,0,1,0,0,0|1,1,0]=4 409 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,0,1,0,0,0|2,0,0]=4 410 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,0,1,0,0,0|2,0,0]=4 411 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,0,1,0,0,0|2,0,0]=4 412 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [1,0,1,0,0,0|2,0,0]=4 413 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,0,1,0,0,0|1,1,0]=4 414 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,0,1,0,0,0|1,1,0]=4 415 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [1,0,1,0,0,0|1,0,1]=4 416 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [1,0,1,0,0,0|1,0,1]=4 417 B10R1.30 N#Cc1cc(ccc1O)Cl 271570a_203496583355_200011356825 [1,0,1,0,0,0|1,0,1]=4 418 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,0,1,0,0,0|2,0,0]=4 419 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,0,1,0,0,0|2,0,0]=4 420 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [1,0,1,0,0,0|2,0,0]=4 421 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [1,0,1,0,0,0|2,0,0]=4 422 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [1,0,1,0,0,0|2,0,0]=4 423 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [1,0,1,0,0,0|2,0,0]=4 424 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [1,0,1,0,0,0|2,0,0]=4 425 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [1,0,1,0,0,0|2,0,0]=4 426 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [1,0,1,0,0,0|2,0,0]=4 427 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [1,0,1,0,0,0|2,0,0]=4 428 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [1,0,1,0,0,0|2,0,0]=4 429 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [1,0,1,0,0,0|2,0,0]=4 430 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,0,1,0,0,0|1,1,0]=4 431 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,0,1,0,0,0|1,1,0]=4 432 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,0,1,0,0,0|2,0,0]=4 433 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,1,0,0,0|1,0,1]=4 434 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,1,0,0,0|1,0,1]=4 435 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,0,1,0,0,0|1,0,1]=4 436 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,0,1,0,0,0|0,0,2]=4 437 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,0,1,0,0,0|2,0,0]=4 438 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,1,0,0,0|1,0,1]=4 439 B10R1.187 C=C=Cc1c(noc1C)O 271570a_100015277604_100010730664 [1,0,1,0,0,0|0,0,2]=4 440 B10R1.187 CC=Cc1c(noc1C)O 271570a_100016259895_100010730664 [1,0,1,0,0,0|0,0,2]=4 441 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,1,1,0,0,0|2,0,0]=4 442 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,1,1,0,0,0|2,0,0]=4 443 B12R1.5 COc1ccc(cc1)C(=NO)N 34a_100000231063_200000210301 [0,1,1,0,0,0|2,0,0]=4 444 B12R1.5 [13CH3]Oc1ccc(cc1)C(=NO)N 34a_100000231063_200025704644 [0,1,1,0,0,0|2,0,0]=4 445 B12R1.16 COCC(O)c1ccc(cc1)Cl 34a_100138415774_200011996143 [0,1,1,0,0,0|1,0,1]=4 446 B12R1.16 O=C(CCO)c1ccc(cc1)Cl 1458a_100000210187_100000211926 [0,1,1,0,0,0|1,0,1]=4 447 B12R1.25 C=CCOc1cccc(c1Br)Cl 34a_100012348804_100015514636 [0,1,1,0,0,0|2,0,0]=4 448 B12R1.25 C=CCOc1cccc(c1Br)Cl 7a_100012348804_100015514636 [0,1,1,0,0,0|2,0,0]=4 449 B12R1.25 C=CCOc1cccc(c1C)Cl 34a_100011265684_100015514636 [0,1,1,0,0,0|2,0,0]=4 450 B12R1.25 C=CCOc1cccc(c1C)Cl 7a_100011265684_100015514636 [0,1,1,0,0,0|2,0,0]=4 451 B12R1.25 C=CCOc1cccc(c1Cl)Cl 34a_100000211076_100015514636 [0,1,1,0,0,0|2,0,0]=4 452 B12R1.25 C=CCOc1cccc(c1Cl)Cl 7a_100000211076_100015514636 [0,1,1,0,0,0|2,0,0]=4 453 B12R1.25 C=CCOc1cccc(c1F)Cl 34a_100000687438_100015514636 [0,1,1,0,0,0|2,0,0]=4 454 B12R1.25 C=CCOc1cccc(c1F)Cl 7a_100000687438_100015514636 [0,1,1,0,0,0|2,0,0]=4 455 B12R1.25 C=CCOc1cccc(c1I)Cl 34a_100000050174_100015514636 [0,1,1,0,0,0|2,0,0]=4 456 B12R1.25 C=CCOc1cccc(c1I)Cl 7a_100000050174_100015514636 [0,1,1,0,0,0|2,0,0]=4 457 B12R1.25 C=CCOc1cccc(c1N)Cl 34a_100012022510_100015514636 [0,1,1,0,0,0|2,0,0]=4 458 B12R1.25 C=CCOc1cccc(c1N)Cl 7a_100012022510_100015514636 [0,1,1,0,0,0|2,0,0]=4 459 B12R1.25 CC=NNc1cccc(c1Br)Cl 4a_100102837889_200000210099 [0,1,1,0,0,0|2,0,0]=4 460 B12R1.25 CC=NNc1cccc(c1C)Cl 4a_100000738547_200000210099 [0,1,1,0,0,0|2,0,0]=4 461 B12R1.25 CC=NNc1cccc(c1Cl)Cl 4a_100000009159_200000210099 [0,1,1,0,0,0|2,0,0]=4 462 B12R1.25 CC=NNc1cccc(c1F)Cl 4a_100000746303_200000210099 [0,1,1,0,0,0|2,0,0]=4 463 B12R1.25 Cc1c(cccc1OCC=O)Cl 34a_100011265684_200009817547 [0,1,1,0,0,0|1,0,1]=4 464 B12R1.25 Cc1c(cccc1OCC=O)Cl 7a_100011265684_200015260668 [0,1,1,0,0,0|1,0,1]=4 465 B12R1.25 Cc1c(cccc1OCCO)Cl 34a_100011265684_100000211926 [0,1,1,0,0,0|1,0,1]=4 466 B12R1.25 Cc1c(cccc1OCCO)Cl 7a_100011265684_100000211926 [0,1,1,0,0,0|1,0,1]=4 467 B12R1.25 Nc1c(cccc1OCC=O)Cl 34a_100012022510_200009817547 [0,1,1,0,0,0|1,0,1]=4 468 B12R1.25 Nc1c(cccc1OCC=O)Cl 7a_100012022510_200015260668 [0,1,1,0,0,0|1,0,1]=4 469 B12R1.25 Nc1c(cccc1OCCO)Cl 34a_100012022510_100000211926 [0,1,1,0,0,0|1,0,1]=4 470 B12R1.25 Nc1c(cccc1OCCO)Cl 7a_100012022510_100000211926 [0,1,1,0,0,0|1,0,1]=4 471 B12R1.25 O=CCOc1cccc(c1Br)Cl 34a_100012348804_200009817547 [0,1,1,0,0,0|1,0,1]=4 472 B12R1.25 O=CCOc1cccc(c1Br)Cl 7a_100012348804_200015260668 [0,1,1,0,0,0|1,0,1]=4 473 B12R1.25 O=CCOc1cccc(c1Cl)Cl 34a_100000211076_200009817547 [0,1,1,0,0,0|1,0,1]=4 474 B12R1.25 O=CCOc1cccc(c1Cl)Cl 7a_100000211076_200015260668 [0,1,1,0,0,0|1,0,1]=4 475 B12R1.25 O=CCOc1cccc(c1F)Cl 34a_100000687438_200009817547 [0,1,1,0,0,0|1,0,1]=4 476 B12R1.25 O=CCOc1cccc(c1F)Cl 7a_100000687438_200015260668 [0,1,1,0,0,0|1,0,1]=4 477 B12R1.25 O=CCOc1cccc(c1I)Cl 34a_100000050174_200009817547 [0,1,1,0,0,0|1,0,1]=4 478 B12R1.25 O=CCOc1cccc(c1I)Cl 7a_100000050174_200015260668 [0,1,1,0,0,0|1,0,1]=4 479 B12R1.25 OCCOc1cccc(c1Br)Cl 34a_100012348804_100000211926 [0,1,1,0,0,0|1,0,1]=4 480 B12R1.25 OCCOc1cccc(c1Br)Cl 7a_100012348804_100000211926 [0,1,1,0,0,0|1,0,1]=4 481 B12R1.25 OCCOc1cccc(c1Cl)Cl 34a_100000211076_100000211926 [0,1,1,0,0,0|1,0,1]=4 482 B12R1.25 OCCOc1cccc(c1Cl)Cl 7a_100000211076_100000211926 [0,1,1,0,0,0|1,0,1]=4 483 B12R1.25 OCCOc1cccc(c1F)Cl 34a_100000687438_100000211926 [0,1,1,0,0,0|1,0,1]=4 484 B12R1.25 OCCOc1cccc(c1F)Cl 7a_100000687438_100000211926 [0,1,1,0,0,0|1,0,1]=4 485 B12R1.25 OCCOc1cccc(c1I)Cl 34a_100000050174_100000211926 [0,1,1,0,0,0|1,0,1]=4 486 B12R1.25 OCCOc1cccc(c1I)Cl 7a_100000050174_100000211926 [0,1,1,0,0,0|1,0,1]=4 487 B12R1.28 C/C=C/COc1cccc(c1)Cl 34a_100000210295_100102629194 [0,1,1,0,0,0|2,0,0]=4 488 B12R1.28 C/C=C/COc1cccc(c1)Cl 7a_100000210295_100102629194 [0,1,1,0,0,0|2,0,0]=4 489 B12R1.28 C=CCCOc1cccc(c1)Cl 34a_100000210295_100000754431 [0,1,1,0,0,0|2,0,0]=4 490 B12R1.28 C=CCCOc1cccc(c1)Cl 7a_100000210295_100000754431 [0,1,1,0,0,0|2,0,0]=4 491 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_100000241301_100015514636 [0,1,1,0,0,0|2,0,0]=4 492 B12R1.28 C=CCOCc1cccc(c1)Cl 34a_200000210373_100000187163 [0,1,1,0,0,0|2,0,0]=4 493 B12R1.28 C=CCOCc1cccc(c1)Cl 7a_100000241301_100015514636 [0,1,1,0,0,0|2,0,0]=4 494 B12R1.28 CC=CCOc1cccc(c1)Cl 34a_100000210295_100000070051 [0,1,1,0,0,0|2,0,0]=4 495 B12R1.28 CC=CCOc1cccc(c1)Cl 7a_100000210295_100000070051 [0,1,1,0,0,0|2,0,0]=4 496 B12R1.28 CC=NNCc1cccc(c1)Cl 4a_100000685877_200000210099 [0,1,1,0,0,0|2,0,0]=4 497 B12R1.28 CCC=NNc1cccc(c1)Cl 4a_100000184277_100000210100 [0,1,1,0,0,0|2,0,0]=4 498 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000210295_100011201679 [0,1,1,0,0,0|1,0,1]=4 499 B12R1.28 COCCOc1cccc(c1)Cl 34a_100000230539_200000210301 [0,1,1,0,0,0|1,0,1]=4 500 B12R1.28 COCCOc1cccc(c1)Cl 34a_100138415774_100000181161 [0,1,1,0,0,0|1,0,1]=4 501 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000210295_100000233755 [0,1,1,0,0,0|1,0,1]=4 502 B12R1.28 COCCOc1cccc(c1)Cl 7a_100000230539_200000210301 [0,1,1,0,0,0|1,0,1]=4 503 B12R1.28 O=CCOCc1cccc(c1)Cl 34a_100000241301_200009817547 [0,1,1,0,0,0|1,0,1]=4 504 B12R1.28 O=CCOCc1cccc(c1)Cl 7a_100000241301_200015260668 [0,1,1,0,0,0|1,0,1]=4 505 B12R1.28 OCCCOc1cccc(c1)Cl 34a_100000210295_100000230001 [0,1,1,0,0,0|1,0,1]=4 506 B12R1.28 OCCCOc1cccc(c1)Cl 7a_100000210295_100011215043 [0,1,1,0,0,0|1,0,1]=4 507 B12R1.28 OCCOCc1cccc(c1)Cl 34a_100000241301_100000211926 [0,1,1,0,0,0|1,0,1]=4 508 B12R1.28 OCCOCc1cccc(c1)Cl 7a_100000241301_100000211926 [0,1,1,0,0,0|1,0,1]=4 509 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 34a_100000230539_200025704644 [0,1,1,0,0,0|1,0,1]=4 510 B12R1.28 [13CH3]OCCOc1cccc(c1)Cl 7a_100000230539_200025704644 [0,1,1,0,0,0|1,0,1]=4 511 B12R1.50 CC(CO)Oc1cccc(c1)Cl 34a_100000210295_100012180447 [0,1,1,0,0,0|1,0,1]=4 512 B12R1.50 CC(CO)Oc1cccc(c1)Cl 7a_100000210295_100012180447 [0,1,1,0,0,0|1,0,1]=4 513 B12R1.100 C=CCOc1cc(cc(c1)Br)Cl 34a_100010185897_100015514636 [0,1,1,0,0,0|2,0,0]=4 514 B12R1.100 C=CCOc1cc(cc(c1)Br)Cl 7a_100010185897_100015514636 [0,1,1,0,0,0|2,0,0]=4 515 B12R1.100 C=CCOc1cc(cc(c1)Cl)C 34a_100000087485_100015514636 [0,1,1,0,0,0|2,0,0]=4 516 B12R1.100 C=CCOc1cc(cc(c1)Cl)C 7a_100000087485_100015514636 [0,1,1,0,0,0|2,0,0]=4 517 B12R1.100 C=CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100015514636 [0,1,1,0,0,0|2,0,0]=4 518 B12R1.100 C=CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100015514636 [0,1,1,0,0,0|2,0,0]=4 519 B12R1.100 C=CCOc1cc(cc(c1)Cl)F 34a_100011219751_100015514636 [0,1,1,0,0,0|2,0,0]=4 520 B12R1.100 C=CCOc1cc(cc(c1)Cl)F 7a_100011219751_100015514636 [0,1,1,0,0,0|2,0,0]=4 521 B12R1.100 C=CCOc1cc(cc(c1)Cl)N 34a_100000123917_100015514636 [0,1,1,0,0,0|2,0,0]=4 522 B12R1.100 C=CCOc1cc(cc(c1)Cl)N 7a_100000123917_100015514636 [0,1,1,0,0,0|2,0,0]=4 523 B12R1.100 C=CCOc1cc(cc(c1)I)Cl 34a_100010068924_100015514636 [0,1,1,0,0,0|2,0,0]=4 524 B12R1.100 C=CCOc1cc(cc(c1)I)Cl 7a_100010068924_100015514636 [0,1,1,0,0,0|2,0,0]=4 525 B12R1.100 CC=NNc1cc(cc(c1)Cl)Cl 4a_100000716695_200000210099 [0,1,1,0,0,0|2,0,0]=4 526 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 34a_100000087485_200009817547 [0,1,1,0,0,0|1,0,1]=4 527 B12R1.100 Cc1cc(cc(c1)OCC=O)Cl 7a_100000087485_200015260668 [0,1,1,0,0,0|1,0,1]=4 528 B12R1.100 Cc1cc(cc(c1)OCCO)Cl 34a_100000087485_100000211926 [0,1,1,0,0,0|1,0,1]=4 529 B12R1.100 Cc1cc(cc(c1)OCCO)Cl 7a_100000087485_100000211926 [0,1,1,0,0,0|1,0,1]=4 530 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 34a_100000123917_200009817547 [0,1,1,0,0,0|1,0,1]=4 531 B12R1.100 Nc1cc(cc(c1)OCC=O)Cl 7a_100000123917_200015260668 [0,1,1,0,0,0|1,0,1]=4 532 B12R1.100 Nc1cc(cc(c1)OCCO)Cl 34a_100000123917_100000211926 [0,1,1,0,0,0|1,0,1]=4 533 B12R1.100 Nc1cc(cc(c1)OCCO)Cl 7a_100000123917_100000211926 [0,1,1,0,0,0|1,0,1]=4 534 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 34a_100010185897_200009817547 [0,1,1,0,0,0|1,0,1]=4 535 B12R1.100 O=CCOc1cc(cc(c1)Br)Cl 7a_100010185897_200015260668 [0,1,1,0,0,0|1,0,1]=4 536 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 34a_100000181315_200009817547 [0,1,1,0,0,0|1,0,1]=4 537 B12R1.100 O=CCOc1cc(cc(c1)Cl)Cl 7a_100000181315_200015260668 [0,1,1,0,0,0|1,0,1]=4 538 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 34a_100011219751_200009817547 [0,1,1,0,0,0|1,0,1]=4 539 B12R1.100 O=CCOc1cc(cc(c1)Cl)F 7a_100011219751_200015260668 [0,1,1,0,0,0|1,0,1]=4 540 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 34a_100010068924_200009817547 [0,1,1,0,0,0|1,0,1]=4 541 B12R1.100 O=CCOc1cc(cc(c1)I)Cl 7a_100010068924_200015260668 [0,1,1,0,0,0|1,0,1]=4 542 B12R1.100 OCCOc1cc(cc(c1)Br)Cl 34a_100010185897_100000211926 [0,1,1,0,0,0|1,0,1]=4 543 B12R1.100 OCCOc1cc(cc(c1)Br)Cl 7a_100010185897_100000211926 [0,1,1,0,0,0|1,0,1]=4 544 B12R1.100 OCCOc1cc(cc(c1)Cl)Cl 34a_100000181315_100000211926 [0,1,1,0,0,0|1,0,1]=4 545 B12R1.100 OCCOc1cc(cc(c1)Cl)Cl 7a_100000181315_100000211926 [0,1,1,0,0,0|1,0,1]=4 546 B12R1.100 OCCOc1cc(cc(c1)Cl)F 34a_100011219751_100000211926 [0,1,1,0,0,0|1,0,1]=4 547 B12R1.100 OCCOc1cc(cc(c1)Cl)F 7a_100011219751_100000211926 [0,1,1,0,0,0|1,0,1]=4 548 B12R1.100 OCCOc1cc(cc(c1)I)Cl 34a_100010068924_100000211926 [0,1,1,0,0,0|1,0,1]=4 549 B12R1.100 OCCOc1cc(cc(c1)I)Cl 7a_100010068924_100000211926 [0,1,1,0,0,0|1,0,1]=4 550 B12R1.226 C=C(C)COc1cccc(c1)Cl 34a_100000210295_100000748629 [0,1,1,0,0,0|2,0,0]=4 551 B12R1.226 C=C(C)COc1cccc(c1)Cl 7a_100000210295_100000748629 [0,1,1,0,0,0|2,0,0]=4 552 B12R1.226 C=C(F)COc1cccc(c1)Cl 34a_100000210295_100009893438 [0,1,1,0,0,0|2,0,0]=4 553 B12R1.226 C=C(F)COc1cccc(c1)Cl 7a_100000210295_100000042424 [0,1,1,0,0,0|2,0,0]=4 554 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [0,1,1,0,0,0|1,0,1]=4 555 B12R1.226 CC(O)COc1cccc(c1)Cl 34a_100000210295_100011218427 [0,1,1,0,0,0|1,0,1]=4 556 B12R1.226 CC(O)COc1cccc(c1)Cl 7a_100000210295_100011218427 [0,1,1,0,0,0|1,0,1]=4 557 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 34a_100000210295_100009817552 [0,1,1,0,0,0|1,0,1]=4 558 B12R1.226 C[C@@H](O)COc1cccc(c1)Cl 7a_100000210295_100009817552 [0,1,1,0,0,0|1,0,1]=4 559 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [0,1,1,0,0,0|1,0,1]=4 560 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [0,1,1,0,0,0|1,0,1]=4 561 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,1,1,0,0,0|1,0,1]=4 562 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [0,1,1,0,0,0|1,0,1]=4 563 B12R1.374 C=CCOc1cc(ccc1Br)Cl 34a_100012339455_100015514636 [0,1,1,0,0,0|2,0,0]=4 564 B12R1.374 C=CCOc1cc(ccc1Br)Cl 7a_100012339455_100015514636 [0,1,1,0,0,0|2,0,0]=4 565 B12R1.374 C=CCOc1cc(ccc1C)Cl 34a_100000756515_100015514636 [0,1,1,0,0,0|2,0,0]=4 566 B12R1.374 C=CCOc1cc(ccc1C)Cl 7a_100000756515_100015514636 [0,1,1,0,0,0|2,0,0]=4 567 B12R1.374 C=CCOc1cc(ccc1Cl)Cl 34a_100000211422_100015514636 [0,1,1,0,0,0|2,0,0]=4 568 B12R1.374 C=CCOc1cc(ccc1Cl)Cl 7a_100000211422_100015514636 [0,1,1,0,0,0|2,0,0]=4 569 B12R1.374 C=CCOc1cc(ccc1F)Cl 34a_100000757397_100015514636 [0,1,1,0,0,0|2,0,0]=4 570 B12R1.374 C=CCOc1cc(ccc1F)Cl 7a_100000757397_100015514636 [0,1,1,0,0,0|2,0,0]=4 571 B12R1.374 C=CCOc1cc(ccc1I)Cl 34a_100000050036_100015514636 [0,1,1,0,0,0|2,0,0]=4 572 B12R1.374 C=CCOc1cc(ccc1I)Cl 7a_100000050036_100015514636 [0,1,1,0,0,0|2,0,0]=4 573 B12R1.374 C=CCOc1cc(ccc1N)Cl 34a_100000185728_100015514636 [0,1,1,0,0,0|2,0,0]=4 574 B12R1.374 C=CCOc1cc(ccc1N)Cl 7a_100000185728_100015514636 [0,1,1,0,0,0|2,0,0]=4 575 B12R1.374 CC=NNc1cc(ccc1C)Cl 4a_100020587667_200000210099 [0,1,1,0,0,0|2,0,0]=4 576 B12R1.374 CC=NNc1cc(ccc1Cl)Cl 4a_100000765587_200000210099 [0,1,1,0,0,0|2,0,0]=4 577 B12R1.374 CC=NNc1cc(ccc1F)Cl 4a_100016987663_200000210099 [0,1,1,0,0,0|2,0,0]=4 578 B12R1.374 Cc1ccc(cc1OCC=O)Cl 34a_100000756515_200009817547 [0,1,1,0,0,0|1,0,1]=4 579 B12R1.374 Cc1ccc(cc1OCC=O)Cl 7a_100000756515_200015260668 [0,1,1,0,0,0|1,0,1]=4 580 B12R1.374 Cc1ccc(cc1OCCO)Cl 34a_100000756515_100000211926 [0,1,1,0,0,0|1,0,1]=4 581 B12R1.374 Cc1ccc(cc1OCCO)Cl 7a_100000756515_100000211926 [0,1,1,0,0,0|1,0,1]=4 582 B12R1.374 Nc1ccc(cc1OCC=O)Cl 34a_100000185728_200009817547 [0,1,1,0,0,0|1,0,1]=4 583 B12R1.374 Nc1ccc(cc1OCC=O)Cl 7a_100000185728_200015260668 [0,1,1,0,0,0|1,0,1]=4 584 B12R1.374 Nc1ccc(cc1OCCO)Cl 34a_100000185728_100000211926 [0,1,1,0,0,0|1,0,1]=4 585 B12R1.374 Nc1ccc(cc1OCCO)Cl 7a_100000185728_100000211926 [0,1,1,0,0,0|1,0,1]=4 586 B12R1.374 O=CCOc1cc(ccc1Br)Cl 34a_100012339455_200009817547 [0,1,1,0,0,0|1,0,1]=4 587 B12R1.374 O=CCOc1cc(ccc1Br)Cl 7a_100012339455_200015260668 [0,1,1,0,0,0|1,0,1]=4 588 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 34a_100000211422_200009817547 [0,1,1,0,0,0|1,0,1]=4 589 B12R1.374 O=CCOc1cc(ccc1Cl)Cl 7a_100000211422_200015260668 [0,1,1,0,0,0|1,0,1]=4 590 B12R1.374 O=CCOc1cc(ccc1F)Cl 34a_100000757397_200009817547 [0,1,1,0,0,0|1,0,1]=4 591 B12R1.374 O=CCOc1cc(ccc1F)Cl 7a_100000757397_200015260668 [0,1,1,0,0,0|1,0,1]=4 592 B12R1.374 O=CCOc1cc(ccc1I)Cl 34a_100000050036_200009817547 [0,1,1,0,0,0|1,0,1]=4 593 B12R1.374 O=CCOc1cc(ccc1I)Cl 7a_100000050036_200015260668 [0,1,1,0,0,0|1,0,1]=4 594 B12R1.374 OCCOc1cc(ccc1Br)Cl 34a_100012339455_100000211926 [0,1,1,0,0,0|1,0,1]=4 595 B12R1.374 OCCOc1cc(ccc1Br)Cl 7a_100012339455_100000211926 [0,1,1,0,0,0|1,0,1]=4 596 B12R1.374 OCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000211926 [0,1,1,0,0,0|1,0,1]=4 597 B12R1.374 OCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000211926 [0,1,1,0,0,0|1,0,1]=4 598 B12R1.374 OCCOc1cc(ccc1F)Cl 34a_100000757397_100000211926 [0,1,1,0,0,0|1,0,1]=4 599 B12R1.374 OCCOc1cc(ccc1F)Cl 7a_100000757397_100000211926 [0,1,1,0,0,0|1,0,1]=4 600 B12R1.374 OCCOc1cc(ccc1I)Cl 34a_100000050036_100000211926 [0,1,1,0,0,0|1,0,1]=4 601 B12R1.374 OCCOc1cc(ccc1I)Cl 7a_100000050036_100000211926 [0,1,1,0,0,0|1,0,1]=4 602 B12R1.382 C=CCOc1cccc(c1)CCl 34a_100000084143_100015514636 [0,1,1,0,0,0|2,0,0]=4 603 B12R1.382 C=CCOc1cccc(c1)CCl 7a_100000084143_100015514636 [0,1,1,0,0,0|2,0,0]=4 604 B12R1.382 O=CCOc1cccc(c1)CCl 34a_100000084143_200009817547 [0,1,1,0,0,0|1,0,1]=4 605 B12R1.382 O=CCOc1cccc(c1)CCl 7a_100000084143_200015260668 [0,1,1,0,0,0|1,0,1]=4 606 B12R1.382 OCCOc1cccc(c1)CCl 34a_100000084143_100000211926 [0,1,1,0,0,0|1,0,1]=4 607 B12R1.382 OCCOc1cccc(c1)CCl 7a_100000084143_100000211926 [0,1,1,0,0,0|1,0,1]=4 608 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_100015514636 [0,1,1,0,0,0|2,0,0]=4 609 B12R1.385 C=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_100015514636 [0,1,1,0,0,0|2,0,0]=4 610 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 34a_100011265682_100015514636 [0,1,1,0,0,0|2,0,0]=4 611 B12R1.385 C=CCOc1ccc(c(c1)Cl)C 7a_100011265682_100015514636 [0,1,1,0,0,0|2,0,0]=4 612 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100015514636 [0,1,1,0,0,0|2,0,0]=4 613 B12R1.385 C=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100015514636 [0,1,1,0,0,0|2,0,0]=4 614 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 34a_100000211030_100015514636 [0,1,1,0,0,0|2,0,0]=4 615 B12R1.385 C=CCOc1ccc(c(c1)Cl)F 7a_100000211030_100015514636 [0,1,1,0,0,0|2,0,0]=4 616 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 34a_100000047559_100015514636 [0,1,1,0,0,0|2,0,0]=4 617 B12R1.385 C=CCOc1ccc(c(c1)Cl)I 7a_100000047559_100015514636 [0,1,1,0,0,0|2,0,0]=4 618 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 34a_100011215599_100015514636 [0,1,1,0,0,0|2,0,0]=4 619 B12R1.385 C=CCOc1ccc(c(c1)Cl)N 7a_100011215599_100015514636 [0,1,1,0,0,0|2,0,0]=4 620 B12R1.385 CC=NNc1ccc(c(c1)Cl)Br 4a_100102421838_200000210099 [0,1,1,0,0,0|2,0,0]=4 621 B12R1.385 CC=NNc1ccc(c(c1)Cl)C 4a_100000681537_200000210099 [0,1,1,0,0,0|2,0,0]=4 622 B12R1.385 CC=NNc1ccc(c(c1)Cl)Cl 4a_100000106602_200000210099 [0,1,1,0,0,0|2,0,0]=4 623 B12R1.385 CC=NNc1ccc(c(c1)Cl)F 4a_100000007618_200000210099 [0,1,1,0,0,0|2,0,0]=4 624 B12R1.385 Cc1ccc(cc1Cl)OCC=O 34a_100011265682_200009817547 [0,1,1,0,0,0|1,0,1]=4 625 B12R1.385 Cc1ccc(cc1Cl)OCC=O 7a_100011265682_200015260668 [0,1,1,0,0,0|1,0,1]=4 626 B12R1.385 Cc1ccc(cc1Cl)OCCO 34a_100011265682_100000211926 [0,1,1,0,0,0|1,0,1]=4 627 B12R1.385 Cc1ccc(cc1Cl)OCCO 7a_100011265682_100000211926 [0,1,1,0,0,0|1,0,1]=4 628 B12R1.385 Nc1ccc(cc1Cl)OCC=O 34a_100011215599_200009817547 [0,1,1,0,0,0|1,0,1]=4 629 B12R1.385 Nc1ccc(cc1Cl)OCC=O 7a_100011215599_200015260668 [0,1,1,0,0,0|1,0,1]=4 630 B12R1.385 Nc1ccc(cc1Cl)OCCO 34a_100011215599_100000211926 [0,1,1,0,0,0|1,0,1]=4 631 B12R1.385 Nc1ccc(cc1Cl)OCCO 7a_100011215599_100000211926 [0,1,1,0,0,0|1,0,1]=4 632 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 34a_100011215161_200009817547 [0,1,1,0,0,0|1,0,1]=4 633 B12R1.385 O=CCOc1ccc(c(c1)Cl)Br 7a_100011215161_200015260668 [0,1,1,0,0,0|1,0,1]=4 634 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 34a_100000211054_200009817547 [0,1,1,0,0,0|1,0,1]=4 635 B12R1.385 O=CCOc1ccc(c(c1)Cl)Cl 7a_100000211054_200015260668 [0,1,1,0,0,0|1,0,1]=4 636 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 34a_100000211030_200009817547 [0,1,1,0,0,0|1,0,1]=4 637 B12R1.385 O=CCOc1ccc(c(c1)Cl)F 7a_100000211030_200015260668 [0,1,1,0,0,0|1,0,1]=4 638 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 34a_100000047559_200009817547 [0,1,1,0,0,0|1,0,1]=4 639 B12R1.385 O=CCOc1ccc(c(c1)Cl)I 7a_100000047559_200015260668 [0,1,1,0,0,0|1,0,1]=4 640 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 34a_100011215161_100000211926 [0,1,1,0,0,0|1,0,1]=4 641 B12R1.385 OCCOc1ccc(c(c1)Cl)Br 7a_100011215161_100000211926 [0,1,1,0,0,0|1,0,1]=4 642 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 34a_100000211054_100000211926 [0,1,1,0,0,0|1,0,1]=4 643 B12R1.385 OCCOc1ccc(c(c1)Cl)Cl 7a_100000211054_100000211926 [0,1,1,0,0,0|1,0,1]=4 644 B12R1.385 OCCOc1ccc(c(c1)Cl)F 34a_100000211030_100000211926 [0,1,1,0,0,0|1,0,1]=4 645 B12R1.385 OCCOc1ccc(c(c1)Cl)F 7a_100000211030_100000211926 [0,1,1,0,0,0|1,0,1]=4 646 B12R1.385 OCCOc1ccc(c(c1)Cl)I 34a_100000047559_100000211926 [0,1,1,0,0,0|1,0,1]=4 647 B12R1.385 OCCOc1ccc(c(c1)Cl)I 7a_100000047559_100000211926 [0,1,1,0,0,0|1,0,1]=4 648 B12R1.57 C=C(C)c1ccc(cc1OC)Cl 271570a_100000694244_100000050115 [0,1,1,0,0,0|2,0,0]=4 649 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 34a_100000061402_200025704644 [0,1,1,0,0,0|1,0,1]=4 650 B12R1.57 CC(=O)c1ccc(cc1O[13CH3])Cl 7a_100000061402_200025704644 [0,1,1,0,0,0|1,0,1]=4 651 B12R1.57 COc1cc(ccc1C(=O)C)Cl 1458a_100000217211_200000210301 [0,1,1,0,0,0|1,0,1]=4 652 B12R1.57 COc1cc(ccc1C(=O)C)Cl 34a_100000061402_200000210301 [0,1,1,0,0,0|1,0,1]=4 653 B12R1.57 COc1cc(ccc1C(=O)C)Cl 7a_100000061402_200000210301 [0,1,1,0,0,0|1,0,1]=4 654 B12R1.57 COc1cc(ccc1C(=O)N)Cl 34a_100000192836_200000210301 [0,1,1,0,0,0|1,0,1]=4 655 B12R1.57 COc1cc(ccc1C(=O)N)Cl 7a_100000192836_200000210301 [0,1,1,0,0,0|1,0,1]=4 656 B12R1.57 COc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000217211_200025704644 [0,1,1,0,0,0|1,0,1]=4 657 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 34a_100000192836_200025704644 [0,1,1,0,0,0|1,0,1]=4 658 B12R1.57 [13CH3]Oc1cc(ccc1C(=O)N)Cl 7a_100000192836_200025704644 [0,1,1,0,0,0|1,0,1]=4 659 B12R1.112 C=C=Cc1ccc(cc1OC)Cl 271570a_100015277604_100000050115 [0,1,1,0,0,0|2,0,0]=4 660 B12R1.112 CC=Cc1ccc(cc1OC)Cl 271570a_100016259895_100000050115 [0,1,1,0,0,0|2,0,0]=4 661 B12R1.112 COCc1ccc(cc1OC)Cl 34a_200011215853_200000210301 [0,1,1,0,0,0|1,0,1]=4 662 B12R1.112 COCc1ccc(cc1OC)Cl 7a_200011215853_200000210301 [0,1,1,0,0,0|1,0,1]=4 663 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 34a_200011215853_200025704644 [0,1,1,0,0,0|1,0,1]=4 664 B12R1.112 COc1cc(ccc1CO[13CH3])Cl 7a_200011215853_200025704644 [0,1,1,0,0,0|1,0,1]=4 665 B12R1.234 C=Cc1c(cc(cc1OC)Cl)Br 271570a_100011290941_100025705407 [0,1,1,0,0,0|2,0,0]=4 666 B12R1.234 C=Cc1c(cc(cc1OC)Cl)Cl 271570a_100011290941_100010292537 [0,1,1,0,0,0|2,0,0]=4 667 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200000210301 [0,1,1,0,0,0|1,0,1]=4 668 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200025704644 [0,1,1,0,0,0|1,0,1]=4 669 B12R1.1000 C=C(C)c1c(cc(cc1O)Cl)C 271570a_100000694244_100010254216 [0,1,1,0,0,0|2,0,0]=4 670 B12R2.1 C=Cc1coc2c1cccc2 271570a_100011290941_100009812202 [1,1,0,0,0,0|2,0,0]=4 671 B12R2.1 C=Cc1n[nH]c2c1cccc2 271570a_100011290941_100000050141 [1,1,0,0,0,0|2,0,0]=4 672 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [1,1,0,0,0,0|1,1,0]=4 673 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [1,1,0,0,0,0|1,1,0]=4 674 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [1,1,0,0,0,0|1,1,0]=4 675 B12R2.1 CSc1n[nH]c2c1cccc2 62a_200000210301_100000050141 [1,1,0,0,0,0|1,1,0]=4 676 B12R2.1 CSc1noc2c1cccc2 62a_200000210301_200000703156 [1,1,0,0,0,0|0,1,0]=3 677 B12R2.1 CSc1noc2c1cccc2 62a_200000703156_200000210301 [1,1,0,0,0,0|0,1,0]=3 678 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [1,1,0,0,0,0|1,1,0]=4 679 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [1,1,0,0,0,0|1,1,0]=4 680 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [1,1,0,0,0,0|1,1,0]=4 681 B12R2.1 [13CH3]Sc1n[nH]c2c1cccc2 62a_200025704644_100000050141 [1,1,0,0,0,0|1,1,0]=4 682 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200000703156_200025704644 [1,1,0,0,0,0|0,1,0]=3 683 B12R2.1 [13CH3]Sc1noc2c1cccc2 62a_200025704644_200000703156 [1,1,0,0,0,0|0,1,0]=3 684 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [1,1,0,0,0,0|1,0,0]=3 685 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [1,1,0,0,0,0|1,1,0]=4 686 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [1,1,0,0,0,0|1,0,1]=4 687 B12R2.132 Cc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100000123028 [1,1,0,0,0,0|1,0,0]=3 688 B12R2.132 Cc1coc2c1cc(cc2)O 271570a_203496583355_100000728893 [1,1,0,0,0,0|2,0,0]=4 689 B12R2.132 Cc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100102524909 [1,1,0,0,0,0|2,0,0]=4 690 B12R2.132 Cc1noc2c1cc(cc2)O 271570a_203496583355_100010196875 [1,1,0,0,0,0|1,0,0]=3 691 B12R2.132 Nc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353729 [1,1,0,0,0,0|1,0,0]=3 692 B12R2.132 Nc1ccc2scc(c2c1)O 271570a_203496583355_100011178648 [1,1,0,0,0,0|1,1,0]=4 693 B12R2.132 Nc1cnc2[nH]nc(c2c1)O 271570a_203496583355_100010174952 [1,1,0,0,0,0|2,0,0]=4 694 B12R2.132 Nc1n[nH]c2c1cc(cc2)O 271570a_203496583355_100011934329 [1,1,0,0,0,0|2,0,0]=4 695 B12R2.132 Nc1noc2c1cc(cc2)O 271570a_203496583355_100012356444 [1,1,0,0,0,0|1,0,0]=3 696 B12R2.132 Nc1nsc2c1cc(cc2)O 271570a_203496583355_100010244976 [1,1,0,0,0,0|1,1,0]=4 697 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [1,1,0,0,0,0|1,0,1]=4 698 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [1,1,0,0,0,0|0,0,2]=4 699 B12R2.132 Oc1ccc2[nH]nc(c2c1)Br 271570a_203496583355_200012353728 [1,1,0,0,0,0|2,0,0]=4 700 B12R2.132 Oc1n[nH]c2c1cc(cc2)Br 271570a_203496583355_100010186058 [1,1,0,0,0,0|1,0,0]=3 701 B12R2.132 Oc1n[nH]c2c1cc(cc2)Cl 271570a_203496583355_100010174404 [1,1,0,0,0,0|1,0,0]=3 702 B12R2.132 Oc1n[nH]c2c1cc(cc2)F 271570a_203496583355_100011934747 [1,1,0,0,0,0|1,0,0]=3 703 B12R2.132 Oc1n[nH]c2c1cc(cn2)Br 271570a_203496583355_100010212350 [1,1,0,0,0,0|2,0,0]=4 704 B12R2.132 Oc1n[nH]c2c1cc(cn2)Cl 271570a_203496583355_100010289580 [1,1,0,0,0,0|2,0,0]=4 705 B12R2.132 Oc1n[nH]c2c1cc(cn2)F 271570a_203496583355_100010289577 [1,1,0,0,0,0|2,0,0]=4 706 B12R2.132 Oc1n[nH]c2c1cc(nc2)Br 271570a_203496583355_100010296430 [1,1,0,0,0,0|2,0,0]=4 707 B12R2.132 Oc1n[nH]c2c1nc(cc2)Br 271570a_203496583355_200010370904 [1,1,0,0,0,0|2,0,0]=4 708 B12R2.196 Cc1cccc2c1[nH]nc2O 271570a_203496583355_100010186057 [1,1,0,0,0,0|1,0,0]=3 709 B12R2.196 Cc1n[nH]c2c1cccc2O 271570a_203496583355_100010255084 [1,1,0,0,0,0|2,0,0]=4 710 B12R2.196 Nc1cccc2c1[nH]nc2O 271570a_203496583355_100009888981 [1,1,0,0,0,0|1,0,0]=3 711 B12R2.196 Nc1n[nH]c2c1cccc2O 271570a_203496583355_100010069757 [1,1,0,0,0,0|2,0,0]=4 712 B12R2.196 Nc1noc2c1cccc2O 271570a_203496583355_100010069758 [1,1,0,0,0,0|1,0,0]=3 713 B12R2.196 O=C1COc2c1cccc2O 271570a_203496583355_100011230590 [1,1,0,0,0,0|1,0,1]=4 714 B12R2.196 Oc1n[nH]c2c1cccc2Br 271570a_203496583355_100010197283 [1,1,0,0,0,0|1,0,0]=3 715 B12R2.196 Oc1n[nH]c2c1cccc2Cl 271570a_203496583355_100000050086 [1,1,0,0,0,0|1,0,0]=3 716 B12R2.196 Oc1n[nH]c2c1cccc2F 271570a_203496583355_100010231504 [1,1,0,0,0,0|1,0,0]=3 717 B12R2.196 Oc1n[nH]c2c1cccc2O 271570a_203496583355_200010988877 [1,1,0,0,0,0|1,0,0]=3 718 B12R2.203 Cc1cccc2c1c(n[nH]2)O 271570a_203496583355_100000049903 [1,1,0,0,0,0|1,0,0]=3 719 B12R2.203 Cc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100010205804 [1,1,0,0,0,0|2,0,0]=4 720 B12R2.203 Nc1cccc2c1c(n[nH]2)O 271570a_203496583355_100010186038 [1,1,0,0,0,0|1,0,0]=3 721 B12R2.203 Nc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100000049960 [1,1,0,0,0,0|2,0,0]=4 722 B12R2.203 Nc1nccc2c1c(co2)O 271570a_203496583355_200010135222 [1,1,0,0,0,0|2,0,0]=4 723 B12R2.203 Nc1noc2c1c(ccc2)O 271570a_203496583355_100012361266 [1,1,0,0,0,0|1,0,0]=3 724 B12R2.203 O=C1COc2c1c(ccc2)O 271570a_203496583355_100010205902 [1,1,0,0,0,0|1,0,1]=4 725 B12R2.203 Oc1n[nH]c2c1c(ccc2)Br 271570a_203496583355_100010186043 [1,1,0,0,0,0|1,0,0]=3 726 B12R2.203 Oc1n[nH]c2c1c(ccc2)Cl 271570a_203496583355_100000049730 [1,1,0,0,0,0|1,0,0]=3 727 B12R2.203 Oc1n[nH]c2c1c(ccc2)F 271570a_203496583355_100000049989 [1,1,0,0,0,0|1,0,0]=3 728 B12R2.203 Oc1n[nH]c2c1c(ccn2)Cl 271570a_203496583355_100010090772 [1,1,0,0,0,0|2,0,0]=4 729 B12R2.203 Oc1n[nH]c2c1c(ncc2)Br 271570a_203496583355_100010370910 [1,1,0,0,0,0|2,0,0]=4 730 B12R2.2028 Cn1nc(c2c1cccc2)O 271570a_203496583355_100009817141 [1,1,0,0,0,0|1,0,0]=3 731 B12R2.2028 Cn1nc(c2c1cccn2)O 271570a_203496583355_100000761950 [1,1,0,0,0,0|2,0,0]=4 732 B12R2.2028 Cn1nc(c2c1nccc2)O 271570a_203496583355_100010248644 [1,1,0,0,0,0|2,0,0]=4 733 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [1,1,0,0,0,0|2,0,0]=4 734 B12R2.44 C=Cc1ccc2cn[nH]c2c1 271570a_100011290941_100000049514 [1,1,0,0,0,0|2,0,0]=4 735 B12R2.44 C=Cc1ccc2cnoc2c1 271570a_100011290941_100009817722 [1,1,0,0,0,0|1,0,0]=3 736 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [1,1,0,0,0,0|2,0,0]=4 737 B12R2.44 CNc1ccc2cnoc2c1 34a_100000084182_200000210301 [1,1,0,0,0,0|1,0,0]=3 738 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [1,1,0,0,0,0|2,0,0]=4 739 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [1,1,0,0,0,0|2,0,0]=4 740 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [1,1,0,0,0,0|1,0,0]=3 741 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [1,1,0,0,0,0|1,0,0]=3 742 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [1,1,0,0,0,0|2,0,0]=4 743 B12R2.44 CSc1ccc2cn[nH]c2c1 62a_200000210301_100000049514 [1,1,0,0,0,0|2,0,0]=4 744 B12R2.44 CSc1ccc2cnoc2c1 62a_200000210301_100009817722 [1,1,0,0,0,0|1,0,0]=3 745 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [1,1,0,0,0,0|2,0,0]=4 746 B12R2.44 [13CH3]Nc1ccc2cnoc2c1 34a_100000084182_200025704644 [1,1,0,0,0,0|1,0,0]=3 747 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [1,1,0,0,0,0|2,0,0]=4 748 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [1,1,0,0,0,0|2,0,0]=4 749 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [1,1,0,0,0,0|1,0,0]=3 750 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [1,1,0,0,0,0|1,0,0]=3 751 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [1,1,0,0,0,0|2,0,0]=4 752 B12R2.44 [13CH3]Sc1ccc2cn[nH]c2c1 62a_200025704644_100000049514 [1,1,0,0,0,0|2,0,0]=4 753 B12R2.44 [13CH3]Sc1ccc2cnoc2c1 62a_200025704644_100009817722 [1,1,0,0,0,0|1,0,0]=3 754 B12R2.82 Cc1ccc2cn[nH]c2c1O 271570a_203496583355_100009817202 [1,1,0,0,0,0|2,0,0]=4 755 B12R2.82 Oc1c(ccc2c1[nH]nc2)F 271570a_203496583355_100010762478 [1,1,0,0,0,0|1,1,0]=4 756 B12R2.82 Oc1ccc2cn[nH]c2c1F 271570a_203496583355_100102525427 [1,1,0,0,0,0|2,0,0]=4 757 B12R2.100 Cc1cc2[nH]ncc2cc1O 271570a_203496583355_100009816927 [1,1,0,0,0,0|2,0,0]=4 758 B12R2.100 Cc1cc2cn[nH]c2cc1O 271570a_203496583355_100009816928 [1,1,0,0,0,0|2,0,0]=4 759 B12R2.100 Nc1cc2cn[nH]c2cc1O 271570a_203496583355_100011012411 [1,1,0,0,0,0|2,0,0]=4 760 B12R2.100 Oc1cc2[nH]ncc2cc1F 271570a_203496583355_100010131892 [1,1,0,0,0,0|2,0,0]=4 761 B12R2.100 Oc1cc2cn[nH]c2cc1Cl 271570a_203496583355_100102525311 [1,1,0,0,0,0|1,0,0]=3 762 B12R2.100 Oc1cc2cn[nH]c2cc1F 271570a_203496583355_100010143413 [1,1,0,0,0,0|1,1,0]=4 763 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010079831 [1,1,0,0,0,0|2,0,0]=4 764 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010080172 [1,1,0,0,0,0|2,0,0]=4 765 B12R2.246 Cc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100009816876 [1,1,0,0,0,0|2,0,0]=4 766 B12R2.246 Cc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100009816875 [1,1,0,0,0,0|2,0,0]=4 767 B12R2.246 Nc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010185947 [1,1,0,0,0,0|2,0,0]=4 768 B12R2.246 Nc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100010177796 [1,1,0,0,0,0|2,0,0]=4 769 B12R2.246 Oc1cc(c2cn[nH]c2c1)Br 271570a_203496583355_100009814768 [1,1,0,0,0,0|2,0,0]=4 770 B12R2.246 Oc1cc(c2cn[nH]c2c1)Cl 271570a_203496583355_100000050090 [1,1,0,0,0,0|2,0,0]=4 771 B12R2.246 Oc1cc(c2cn[nH]c2c1)F 271570a_203496583355_100010185991 [1,1,0,0,0,0|2,0,0]=4 772 B12R2.246 Oc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010185960 [1,1,0,0,0,0|2,0,0]=4 773 B12R2.246 Oc1cc(cc2c1cn[nH]2)Br 271570a_203496583355_100009814777 [1,1,0,0,0,0|1,1,0]=4 774 B12R2.246 Oc1cc(cc2c1cn[nH]2)Cl 271570a_203496583355_100000050163 [1,1,0,0,0,0|1,0,0]=3 775 B12R2.246 Oc1cc(cc2c1cn[nH]2)F 271570a_203496583355_100010185992 [1,1,0,0,0,0|1,1,0]=4 776 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 34a_100000074905_200000210301 [0,1,0,0,0,1|2,0,0]=4 777 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 7a_100000074905_200000210301 [0,1,0,0,0,1|2,0,0]=4 778 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_200025704644 [0,1,0,0,0,1|2,0,0]=4 779 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_200025704644 [0,1,0,0,0,1|2,0,0]=4 780 B14R2.1073 COc1ccnc2c1ccc(c2)Cl 34a_100011215206_200000210301 [0,1,0,0,0,1|2,0,0]=4 781 B14R2.1073 COc1nccc2c1ccc(c2)Br 34a_100000760485_200000210301 [0,1,0,0,0,1|1,1,0]=4 782 B14R2.1073 COc1ncnc2c1ccc(c2)O 271570a_203496583355_100134615805 [0,1,0,0,0,1|2,0,0]=4 783 B14R2.1073 [13CH3]Oc1ccnc2c1ccc(c2)Cl 34a_100011215206_200025704644 [0,1,0,0,0,1|2,0,0]=4 784 B14R2.1073 [13CH3]Oc1nccc2c1ccc(c2)Br 34a_100000760485_200025704644 [0,1,0,0,0,1|1,1,0]=4 785 B14R2.1801 C=Cc1ccc2c(nccc2c1)O 271570a_100011290941_100000760485 [0,1,0,0,0,1|2,0,0]=4 786 B14R2.1801 C=Cc1ccc2c(nncc2c1)O 271570a_100011290941_100000724280 [0,1,0,0,0,1|2,0,0]=4 787 B14R2.1801 COc1ccc2c(nccc2c1)O 271570a_203496583355_100000084302 [0,1,0,0,0,1|2,0,0]=4 788 B14R2.1801 COc1ccc2c(ncnc2c1)O 271570a_203496583355_100011248138 [0,1,0,0,0,1|2,0,0]=4 789 B14R2.1801 CSc1ccc2c(nccc2c1)O 62a_200000210301_100000760485 [0,1,0,0,0,1|2,0,0]=4 790 B14R2.1801 CSc1ccc2c(nncc2c1)O 62a_200000210301_100000724280 [0,1,0,0,0,1|2,0,0]=4 791 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)O 62a_200025704644_100000760485 [0,1,0,0,0,1|2,0,0]=4 792 B14R2.1801 [13CH3]Sc1ccc2c(nncc2c1)O 62a_200025704644_100000724280 [0,1,0,0,0,1|2,0,0]=4 793 B14R2.8751 Oc1ccc2c(nnc(c2c1)O)O 271570a_203496583355_100009992796 [0,1,0,0,0,1|2,0,0]=4 794 B14R2.28472 Oc1cc2c(ncnc2cc1F)O 271570a_203496583355_100000699150 [0,1,0,0,0,1|1,1,0]=4 795 B14R2.28472 Oc1ncnc2c1cc(c(c2)F)F 271570a_203496583355_100000757567 [0,1,0,0,0,1|1,1,0]=4 796 B14R2.28480 Oc1ncnc2c1c(cc(c2)F)F 271570a_203496583355_200012349238 [0,1,0,0,0,1|1,1,0]=4 797 B14R2.29365 Cc1ccc2c(nc(nc2c1)C)O 271570a_203496583355_200010384746 [0,1,0,0,0,1|2,0,0]=4 798 B14R2.29365 Cc1nc(c2ccc(cc2n1)F)O 271570a_203496583355_100012003523 [0,1,0,0,0,1|1,1,0]=4 799 B14R2.29365 O=c1cc(c2ccc(cc2o1)O)O 271570a_203496583355_100010062223 [0,1,0,0,0,1|2,0,0]=4 800 B14R2.152 C=Cc1ccc2c(n[nH]c2c1)CO 271570a_100011290941_100010177469 [0,2,0,0,0,0|2,0,0]=4 801 B14R2.152 C=Cc1ccc2c(n[nH]c2c1)OC 271570a_100011290941_100010742842 [0,2,0,0,0,0|2,0,0]=4 802 B14R2.152 CSc1ccc2c(n[nH]c2c1)CO 62a_200000210301_100010177469 [0,2,0,0,0,0|2,0,0]=4 803 B14R2.152 [13CH3]Sc1ccc2c(n[nH]c2c1)CO 62a_200025704644_100010177469 [0,2,0,0,0,0|2,0,0]=4 804 B14R2.300 C=C(C)c1n[nH]c2c1ccc(c2)Cl 271570a_100000694244_100000049627 [0,2,0,0,0,0|2,0,0]=4 805 B14R2.467 C=C=Cc1n[nH]c2c1ccc(c2)Cl 271570a_100015277604_100000049627 [0,2,0,0,0,0|2,0,0]=4 806 B14R2.467 CC=Cc1n[nH]c2c1ccc(c2)Cl 271570a_100016259895_100000049627 [0,2,0,0,0,0|2,0,0]=4 807 B14R2.467 CCSc1n[nH]c2c1ccc(c2)Cl 62a_100000210202_100000049627 [0,2,0,0,0,0|1,1,0]=4 808 B14R2.467 CNCc1n[nH]c2c1ccc(c2)Cl 207a_100102657272_100000086628 [0,2,0,0,0,0|2,0,0]=4 809 B14R2.467 CNCc1n[nH]c2c1ccc(c2)Cl 270004a_106832991635_100000086628 [0,2,0,0,0,0|2,0,0]=4 810 B14R2.467 FCSc1n[nH]c2c1ccc(c2)Cl 62a_100015361967_100000049627 [0,2,0,0,0,0|1,1,0]=4 811 B14R2.12145 C=Cc1n[nH]c2c1cc(c(c2)Cl)Br 271570a_100011290941_100025705592 [0,2,0,0,0,0|2,0,0]=4 812 B14R2.12145 C=Cc1n[nH]c2c1cc(c(c2)Cl)Cl 271570a_100011290941_100010977401 [0,2,0,0,0,0|2,0,0]=4 813 B14R2.12145 CSc1n[nH]c2c1cc(c(c2)Cl)Br 62a_100025705592_200000210301 [0,2,0,0,0,0|1,1,0]=4 814 B14R2.12145 CSc1n[nH]c2c1cc(c(c2)Cl)Br 62a_200000210301_100025705592 [0,2,0,0,0,0|1,1,0]=4 815 B14R2.12145 CSc1n[nH]c2c1cc(c(c2)Cl)Cl 62a_200000210301_100010977401 [0,2,0,0,0,0|1,1,0]=4 816 B14R2.12145 [13CH3]Sc1n[nH]c2c1cc(c(c2)Cl)Br 62a_100025705592_200025704644 [0,2,0,0,0,0|1,1,0]=4 817 B14R2.12145 [13CH3]Sc1n[nH]c2c1cc(c(c2)Cl)Br 62a_200025704644_100025705592 [0,2,0,0,0,0|1,1,0]=4 818 B14R2.12145 [13CH3]Sc1n[nH]c2c1cc(c(c2)Cl)Cl 62a_200025704644_100010977401 [0,2,0,0,0,0|1,1,0]=4 819 B14R2.12158 C=Cc1n[nH]c2c1c(cc(c2)Cl)Cl 271570a_100011290941_200010186120 [0,2,0,0,0,0|2,0,0]=4 820 B14R2.12158 C=Cc1n[nH]c2c1c(cc(c2)Cl)F 271570a_100011290941_100000049905 [0,2,0,0,0,0|2,0,0]=4 821 B14R2.12158 CSc1n[nH]c2c1c(cc(c2)Cl)Cl 62a_200000210301_200010186120 [0,2,0,0,0,0|1,1,0]=4 822 B14R2.12158 CSc1n[nH]c2c1c(cc(c2)Cl)F 62a_200000210301_100000049905 [0,2,0,0,0,0|1,1,0]=4 823 B14R2.12158 [13CH3]Sc1n[nH]c2c1c(cc(c2)Cl)Cl 62a_200025704644_200010186120 [0,2,0,0,0,0|1,1,0]=4 824 B14R2.12158 [13CH3]Sc1n[nH]c2c1c(cc(c2)Cl)F 62a_200025704644_100000049905 [0,2,0,0,0,0|1,1,0]=4 825 B14R2.1812 COc1ccc2c(nn(c2c1)C)O 271570a_203496583355_200010989029 [0,2,0,0,0,0|2,0,0]=4 826 B14R2.5719 C=C(C)c1ccc2c(noc2c1)C 271570a_100000694244_100009815287 [0,2,0,0,0,0|2,0,0]=4 827 B14R2.5719 C=C(C)c1ccc2c(noc2c1)N 271570a_100000694244_100012356334 [0,2,0,0,0,0|2,0,0]=4 828 B14R2.5719 C=C(C)c1ccc2c(noc2c1)O 271570a_100000694244_100000727085 [0,2,0,0,0,0|1,0,0]=3 829 B14R2.6412 C=C=Cc1ccc2c(noc2c1)C 271570a_100015277604_100009815287 [0,2,0,0,0,0|2,0,0]=4 830 B14R2.6412 C=C=Cc1ccc2c(noc2c1)N 271570a_100015277604_100012356334 [0,2,0,0,0,0|2,0,0]=4 831 B14R2.6412 C=C=Cc1ccc2c(noc2c1)O 271570a_100015277604_100000727085 [0,2,0,0,0,0|1,0,0]=3 832 B14R2.6412 CC=Cc1ccc2c(noc2c1)C 271570a_100016259895_100009815287 [0,2,0,0,0,0|2,0,0]=4 833 B14R2.6412 CC=Cc1ccc2c(noc2c1)N 271570a_100016259895_100012356334 [0,2,0,0,0,0|2,0,0]=4 834 B14R2.6412 CC=Cc1ccc2c(noc2c1)O 271570a_100016259895_100000727085 [0,2,0,0,0,0|1,0,0]=3 835 B14R2.6412 CCOc1ccc2c(noc2c1)C 34a_200000076027_100000210202 [0,2,0,0,0,0|2,0,0]=4 836 B14R2.6412 CCSc1ccc2c(noc2c1)C 62a_100000210202_100009815287 [0,2,0,0,0,0|2,0,0]=4 837 B14R2.6412 CCSc1ccc2c(noc2c1)C 62a_100009815287_100000210202 [0,2,0,0,0,0|2,0,0]=4 838 B14R2.6412 CCSc1ccc2c(noc2c1)N 62a_100000210202_100012356334 [0,2,0,0,0,0|2,0,0]=4 839 B14R2.6412 CCSc1ccc2c(noc2c1)N 62a_100012356334_100000210202 [0,2,0,0,0,0|2,0,0]=4 840 B14R2.6412 Cc1noc2c1ccc(c2)OCF 34a_200000076027_100015361967 [0,2,0,0,0,0|1,1,0]=4 841 B14R2.6412 Cc1noc2c1ccc(c2)SCF 62a_100009815287_100015361967 [0,2,0,0,0,0|1,1,0]=4 842 B14R2.6412 Cc1noc2c1ccc(c2)SCF 62a_100015361967_100009815287 [0,2,0,0,0,0|1,1,0]=4 843 B14R2.6412 Nc1noc2c1ccc(c2)SCF 62a_100012356334_100015361967 [0,2,0,0,0,0|1,1,0]=4 844 B14R2.6412 Nc1noc2c1ccc(c2)SCF 62a_100015361967_100012356334 [0,2,0,0,0,0|1,1,0]=4 845 B14R2.36882 COc1cc(c2c(n[nH]c2c1)O)C 271570a_203496583355_100000049625 [0,2,0,0,0,0|2,0,0]=4 846 B14R2.25731 Cn1nc(c2c1cc(c(c2)Cl)Cl)O 271570a_203496583355_100011096968 [0,2,0,0,0,0|1,0,0]=3 847 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,0,1,0,0,1|1,0,1]=4 848 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,0,1,0,0,1|1,0,1]=4 849 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,0,1,0,0,1|1,0,1]=4 850 B12R1.233 CC(=Cc1ccc(cc1O)Cl)C 271570a_100102525489_100000050036 [0,0,1,0,0,1|2,0,0]=4 851 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000070787 [0,0,1,0,0,1|1,0,1]=4 852 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl 527a_100000185728_100103153847 [0,0,1,0,0,1|1,0,1]=4