0 B11R2.106 Oc1cccc2c1CCN2 271570a_203496583355_100009817896 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.106 Oc1cccc2c1[nH]nc2 271570a_203496583355_100009816125 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.106 Oc1cccc2c1[nH]nn2 271570a_203496583355_100009820029 [0,0,0,0,0,0|3,0,1]=4 3 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.106 Oc1cccc2c1cco2 271570a_203496583355_100000756496 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.106 Oc1cccc2c1ccs2 271570a_203496583355_100009816950 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.106 Oc1cccc2c1cn[nH]2 271570a_203496583355_100000753301 [0,0,0,0,0,0|2,0,0]=2 7 B11R2.106 Oc1cccc2c1cno2 271570a_203496583355_100009818589 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.106 Oc1cccc2c1nc[nH]2 271570a_203496583355_100011935113 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.106 Oc1cccc2c1onc2 271570a_203496583355_100000765530 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.106 Oc1cccc2n1cnc2 271570a_203496583355_100009817730 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.106 Oc1cccc2n1cnn2 271570a_203496583355_100009819885 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.106 Oc1cccn2c1cnc2 271570a_203496583355_100009857155 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.106 Oc1ccnc2c1CCC2 271570a_203496583355_100000102697 [0,0,0,0,0,0|3,0,1]=4 14 B11R2.106 Oc1ccnc2c1[nH]cc2 271570a_203496583355_100009863063 [0,0,0,0,0,0|4,0,0]=4 15 B11R2.106 Oc1ccnc2c1[nH]nc2 271570a_203496583355_100000112858 [0,0,0,0,0,0|3,0,0]=3 16 B11R2.106 Oc1ccnc2c1cc[nH]2 271570a_203496583355_100000049914 [0,0,0,0,0,0|2,0,0]=2 17 B11R2.106 Oc1ccnc2c1ccs2 271570a_203496583355_100009861243 [0,0,0,0,0,0|3,0,0]=3 18 B11R2.106 Oc1ccnc2c1cn[nH]2 271570a_203496583355_100009819725 [0,0,0,0,0,0|1,0,0]=1 19 B11R2.106 Oc1ccnc2c1nc[nH]2 271570a_203496583355_100009820729 [0,0,0,0,0,0|3,0,0]=3 20 B11R2.106 Oc1ccnc2c1nn[nH]2 271570a_203496583355_100009853804 [0,0,0,0,0,0|2,0,0]=2 21 B11R2.106 Oc1ccnc2c1occ2 271570a_203496583355_100009853057 [0,0,0,0,0,0|4,0,0]=4 22 B11R2.106 Oc1ccnc2c1scc2 271570a_203496583355_100000723842 [0,0,0,0,0,0|4,0,0]=4 23 B11R2.106 Oc1cncc2c1cc[nH]2 271570a_203496583355_100009840476 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.106 Oc1cncc2c1cn[nH]2 271570a_203496583355_100009819959 [0,0,0,0,0,0|3,0,0]=3 25 B11R2.106 Oc1nc[nH]c-2nccc12 271570a_203496583355_100015350423 [0,0,0,0,0,0|1,0,2]=3 26 B11R2.106 Oc1nccc2c1CCN2 271570a_203496583355_100000104060 [0,0,0,0,0,0|2,0,1]=3 27 B11R2.106 Oc1nccc2c1[nH]cc2 271570a_203496583355_100009816714 [0,0,0,0,0,0|4,0,0]=4 28 B11R2.106 Oc1nccc2c1[nH]nc2 271570a_203496583355_100009852419 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.106 Oc1nccc2c1cc[nH]2 271570a_203496583355_100000086534 [0,0,0,0,0,0|2,0,0]=2 30 B11R2.106 Oc1nccc2c1cco2 271570a_203496583355_100000041166 [0,0,0,0,0,0|3,0,0]=3 31 B11R2.106 Oc1nccc2c1ccs2 271570a_203496583355_100000047778 [0,0,0,0,0,0|3,0,0]=3 32 B11R2.106 Oc1nccc2c1cn[nH]2 271570a_203496583355_100102525074 [0,0,0,0,0,0|1,0,0]=1 33 B11R2.106 Oc1nccc2c1nc[nH]2 271570a_203496583355_100009820035 [0,0,0,0,0,0|3,0,0]=3 34 B11R2.106 Oc1nccc2c1scc2 271570a_203496583355_100000117209 [0,0,0,0,0,0|4,0,0]=4 35 B11R2.106 Oc1nccn2c1ccc2 271570a_203496583355_100000094558 [0,0,0,0,0,0|4,0,0]=4 36 B11R2.106 Oc1nccn2c1ccn2 271570a_203496583355_100009846796 [0,0,0,0,0,0|3,0,1]=4 37 B11R2.106 Oc1nccn2c1cnc2 271570a_203496583355_100009989554 [0,0,0,0,0,0|3,0,0]=3 38 B11R2.106 Oc1nccn2c1nnc2 271570a_203496583355_100000757256 [0,0,0,0,0,0|4,0,0]=4 39 B11R2.106 Oc1ncnc2c1CCC2 271570a_203496583355_100000750143 [0,0,0,0,0,0|2,0,1]=3 40 B11R2.106 Oc1ncnc2c1CCN2 271570a_203496583355_200000104052 [0,0,0,0,0,0|1,0,1]=2 41 B11R2.106 Oc1ncnc2c1[nH]cc2 271570a_203496583355_100000084117 [0,0,0,0,0,0|3,0,0]=3 42 B11R2.106 Oc1ncnc2c1cco2 271570a_203496583355_100000094286 [0,0,0,0,0,0|2,0,0]=2 43 B11R2.106 Oc1ncnc2c1ccs2 271570a_203496583355_100000183654 [0,0,0,0,0,0|2,0,0]=2 44 B11R2.106 Oc1ncnc2c1cn[nH]2 271570a_203496583355_100000735611 [0,0,0,0,0,0|0,0,0]=0 45 B11R2.106 Oc1ncnc2c1ncs2 271570a_203496583355_100009860286 [0,0,0,0,0,0|3,0,0]=3 46 B11R2.106 Oc1ncnc2c1scc2 271570a_203496583355_100000234879 [0,0,0,0,0,0|3,0,0]=3 47 B11R2.106 Oc1ncnn2c1ccc2 271570a_203496583355_100000104113 [0,0,0,0,0,0|3,0,0]=3 48 B12R2.82 Cc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817094 [0,1,0,0,0,0|3,0,0]=4 49 B12R2.82 Cc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010254266 [0,1,0,0,0,0|3,0,0]=4 50 B12R2.82 Cc1ccc2[nH]ccc2c1O 271570a_203496583355_100010248896 [0,1,0,0,0,0|3,0,0]=4 51 B12R2.82 Cc1ccc2[nH]ncc2c1O 271570a_203496583355_100009817104 [0,1,0,0,0,0|2,0,0]=3 52 B12R2.82 Cc1cnc2[nH]ccc2c1O 271570a_203496583355_100000097406 [0,1,0,0,0,0|2,0,0]=3 53 B12R2.82 Nc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100020965837 [0,1,0,0,0,0|3,0,0]=4 54 B12R2.82 Nc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010168494 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.82 Oc1c(ccc2c1cc[nH]2)F 271570a_203496583355_100102525403 [0,1,0,0,0,0|3,0,0]=4 56 B12R2.82 Oc1c(ccc2c1cn[nH]2)F 271570a_203496583355_200010080415 [0,1,0,0,0,0|2,0,0]=3 57 B12R2.82 Oc1c(cnc2c1cc[nH]2)F 271570a_203496583355_100000118126 [0,1,0,0,0,0|2,0,0]=3 58 B12R2.82 Oc1ccc2[nH]ncc2c1F 271570a_203496583355_100010232219 [0,1,0,0,0,0|3,0,0]=4 59 B12R2.82 Oc1cnc2[nH]ccc2c1Cl 271570a_203496583355_100010219237 [0,1,0,0,0,0|3,0,0]=4 60 B12R2.82 Oc1cnc2[nH]ccc2c1F 271570a_203496583355_100011012301 [0,1,0,0,0,0|3,0,0]=4 61 B12R2.196 Cc1csc2c1ncnc2O 271570a_203496583355_100000041020 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.196 Cn1ccc2c1cccc2O 271570a_203496583355_200011934935 [0,1,0,0,0,0|3,0,0]=4 63 B12R2.196 Cn1ccc2c1ccnc2O 271570a_203496583355_100000048735 [0,1,0,0,0,0|2,0,0]=3 64 B12R2.196 Cn1ccc2c1nccc2O 271570a_203496583355_100010168893 [0,1,0,0,0,0|2,0,0]=3 65 B12R2.196 Cn1ccc2c1ncnc2O 271570a_203496583355_100000076352 [0,1,0,0,0,0|1,0,0]=2 66 B12R2.196 Cn1cnc2c1ccnc2O 271570a_203496583355_100000075535 [0,1,0,0,0,0|3,0,0]=4 67 B12R2.196 Cn1cnc2c1ncnc2O 271570a_203496583355_100000058137 [0,1,0,0,0,0|2,0,0]=3 68 B12R2.196 Cn1ncc2c1cccc2O 271570a_203496583355_100009817161 [0,1,0,0,0,0|2,0,0]=3 69 B12R2.196 Cn1ncc2c1ccnc2O 271570a_203496583355_100015332818 [0,1,0,0,0,0|1,0,0]=2 70 B12R2.196 Cn1ncc2c1cncc2O 271570a_203496583355_100010218354 [0,1,0,0,0,0|3,0,0]=4 71 B12R2.196 Cn1ncc2c1nccc2O 271570a_203496583355_100013479686 [0,1,0,0,0,0|1,0,0]=2 72 B12R2.196 Cn1ncc2c1ncnc2O 271570a_203496583355_100000242733 [0,1,0,0,0,0|0,0,0]=1 73 B12R2.196 Oc1csc2c1ncnc2O 271570a_203496583355_100010075196 [0,1,0,0,0,0|3,0,0]=4 74 B12R2.202 Cc1cc2c(cccc2[nH]1)O 271570a_203496583355_100010143266 [0,1,0,0,0,0|3,0,0]=4 75 B12R2.202 Cc1cc2c(ccnc2[nH]1)O 271570a_203496583355_100010202352 [0,1,0,0,0,0|2,0,0]=3 76 B12R2.202 Cc1cc2c(ncnc2[nH]1)O 271570a_203496583355_100009847220 [0,1,0,0,0,0|1,0,0]=2 77 B12R2.202 Cc1cc2c(ncnc2s1)O 271570a_203496583355_100000753035 [0,1,0,0,0,0|2,0,0]=3 78 B12R2.202 Cc1cc2ncnc(c2s1)O 271570a_203496583355_200009846640 [0,1,0,0,0,0|3,0,0]=4 79 B12R2.202 O=C1Cc2c(ccnc2N1)O 271570a_203496583355_100000104061 [0,1,0,0,0,0|2,0,1]=4 80 B12R2.202 O=c1[nH]c2nccc(c2[nH]1)O 271570a_203496583355_100009840862 [0,1,0,0,0,0|3,0,0]=4 81 B12R2.202 Oc1cc2c(ccnc2[nH]1)Cl 271570a_203496583355_100010234028 [0,1,0,0,0,0|3,0,0]=4 82 B12R2.202 Oc1cc2c(nccc2s1)O 271570a_203496583355_100010116216 [0,1,0,0,0,0|3,0,0]=4 83 B12R2.202 Oc1cc2c(ncnn2c1)O 271570a_203496583355_100010073071 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.203 Cc1c[nH]c2c1c(ccc2)O 271570a_203496583355_100010194227 [0,1,0,0,0,0|3,0,0]=4 85 B12R2.203 Cc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100009849662 [0,1,0,0,0,0|2,0,0]=3 86 B12R2.203 Cc1c[nH]c2c1c(ncn2)O 271570a_203496583355_100000092391 [0,1,0,0,0,0|1,0,0]=2 87 B12R2.203 Cc1cccc2c1c(n[nH]2)O 271570a_203496583355_100000049903 [0,1,0,0,0,0|3,0,0]=4 88 B12R2.203 Cc1csc2c1c(ncn2)O 271570a_203496583355_100000040732 [0,1,0,0,0,0|2,0,0]=3 89 B12R2.203 Cc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100010205804 [0,1,0,0,0,0|2,0,0]=3 90 B12R2.203 Cn1ccc2c1c(ncn2)O 271570a_203496583355_100009847513 [0,1,0,0,0,0|3,0,0]=4 91 B12R2.203 Cn1cnc2c1c(ncn2)O 271570a_203496583355_100000078800 [0,1,0,0,0,0|2,0,1]=4 92 B12R2.203 Cn1ncc2c1c(ncc2)O 271570a_203496583355_100009854168 [0,1,0,0,0,0|3,0,0]=4 93 B12R2.203 Cn1ncc2c1c(ncn2)O 271570a_203496583355_100000098498 [0,1,0,0,0,0|2,0,0]=3 94 B12R2.203 Nc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100010212589 [0,1,0,0,0,0|2,0,0]=3 95 B12R2.203 Nc1cccc2c1c(n[nH]2)O 271570a_203496583355_100010186038 [0,1,0,0,0,0|3,0,0]=4 96 B12R2.203 Nc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100000049960 [0,1,0,0,0,0|2,0,0]=3 97 B12R2.203 Nc1ncnc2c1c(c[nH]2)O 271570a_203496583355_100010179808 [0,1,0,0,0,0|2,0,0]=3 98 B12R2.203 Nc1ncnc2c1c(n[nH]2)O 271570a_203496583355_100000049786 [0,1,0,0,0,0|1,0,0]=2 99 B12R2.203 Nc1noc2c1c(ccc2)O 271570a_203496583355_100012361266 [0,1,0,0,0,0|3,0,0]=4 100 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [0,1,0,0,0,0|2,0,1]=4 101 B12R2.203 O=c1[nH]cnc2c1c(c[nH]2)O 271570a_203496583355_100010220714 [0,1,0,0,0,0|1,0,2]=4 102 B12R2.203 O=c1[nH]cnc2c1c(n[nH]2)O 271570a_203496583355_100000751889 [0,1,0,0,0,0|0,0,2]=3 103 B12R2.203 Oc1c[nH]c2c1c(ccn2)Br 271570a_203496583355_100010212587 [0,1,0,0,0,0|3,0,0]=4 104 B12R2.203 Oc1c[nH]c2c1c(ccn2)F 271570a_203496583355_100010168365 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.203 Oc1c[nH]c2c1c(ncc2)O 271570a_203496583355_100010168626 [0,1,0,0,0,0|2,0,0]=3 106 B12R2.203 Oc1csc2c1c(ncc2)O 271570a_203496583355_100010126227 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.203 Oc1n[nH]c2c1c(ccc2)Br 271570a_203496583355_100010186043 [0,1,0,0,0,0|3,0,0]=4 108 B12R2.203 Oc1n[nH]c2c1c(ccc2)Cl 271570a_203496583355_100000049730 [0,1,0,0,0,0|3,0,0]=4 109 B12R2.203 Oc1n[nH]c2c1c(ccc2)F 271570a_203496583355_100000049989 [0,1,0,0,0,0|3,0,0]=4 110 B12R2.203 Oc1n[nH]c2c1c(ccn2)Cl 271570a_203496583355_100010090772 [0,1,0,0,0,0|2,0,0]=3 111 B12R2.203 Oc1n[nH]c2c1c(ncc2)Br 271570a_203496583355_100010370910 [0,1,0,0,0,0|2,0,0]=3 112 B12R2.221 Cc1ccc(c2c1[nH]cc2)O 271570a_203496583355_100009820812 [0,1,0,0,0,0|3,0,0]=4 113 B12R2.221 Cc1ccc(c2c1[nH]nc2)O 271570a_203496583355_100009817120 [0,1,0,0,0,0|2,0,0]=3 114 B12R2.221 Cc1cnc(c2c1[nH]cc2)O 271570a_203496583355_100010244391 [0,1,0,0,0,0|2,0,0]=3 115 B12R2.221 Cc1ncc(c2c1cc[nH]2)O 271570a_203496583355_100010244396 [0,1,0,0,0,0|3,0,0]=4 116 B12R2.221 Oc1ccc(c2c1[nH]nc2)F 271570a_203496583355_100010206778 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.221 Oc1ccc(c2c1cc[nH]2)F 271570a_203496583355_100010006601 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.221 Oc1ccc(c2c1cn[nH]2)F 271570a_203496583355_100010074603 [0,1,0,0,0,0|2,0,0]=3 119 B12R2.221 Oc1ncc(c2c1nc[nH]2)F 271570a_203496583355_100009853726 [0,1,0,0,0,0|3,0,0]=4 120 B12R2.246 Cc1cc(c2[nH]ncc2n1)O 271570a_203496583355_100000087595 [0,1,0,0,0,0|3,0,0]=4 121 B12R2.246 Cc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010186026 [0,1,0,0,0,0|3,0,0]=4 122 B12R2.246 Cc1cc(c2cc[nH]c2n1)O 271570a_203496583355_100000095047 [0,1,0,0,0,0|2,0,0]=3 123 B12R2.246 Cc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100009816876 [0,1,0,0,0,0|2,0,0]=3 124 B12R2.246 Cc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100009816875 [0,1,0,0,0,0|3,0,0]=4 125 B12R2.246 Cc1nc(c2c(n1)CCC2)O 271570a_203496583355_100011240833 [0,1,0,0,0,0|2,0,1]=4 126 B12R2.246 Cc1nc(c2cc[nH]c2n1)O 271570a_203496583355_100000092993 [0,1,0,0,0,0|1,0,0]=2 127 B12R2.246 Cc1nc(c2ccsc2n1)O 271570a_203496583355_100000183124 [0,1,0,0,0,0|2,0,0]=3 128 B12R2.246 Cc1nc(c2cn[nH]c2n1)O 271570a_203496583355_100000745003 [0,1,0,0,0,0|0,0,0]=1 129 B12R2.246 Cc1nc(c2sccc2n1)O 271570a_203496583355_100012000418 [0,1,0,0,0,0|3,0,0]=4 130 B12R2.246 Nc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010006569 [0,1,0,0,0,0|3,0,0]=4 131 B12R2.246 Nc1cc(c2cc[nH]c2n1)O 271570a_203496583355_100009864914 [0,1,0,0,0,0|2,0,0]=3 132 B12R2.246 Nc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010185947 [0,1,0,0,0,0|2,0,0]=3 133 B12R2.246 Nc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100010177796 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.246 Nc1nc(c2[nH]ccc2n1)O 271570a_203496583355_100000093568 [0,1,0,0,0,0|3,0,0]=4 135 B12R2.246 Nc1nc(c2nc[nH]c2n1)O 271570a_203496583355_200000049598 [0,1,0,0,0,0|2,0,0]=3 136 B12R2.246 Nc1nc(nc2c1cn[nH]2)O 271570a_203496583355_100000696086 [0,1,0,0,0,0|1,0,0]=2 137 B12R2.246 Oc1cc(c2cn[nH]c2c1)Br 271570a_203496583355_100009814768 [0,1,0,0,0,0|3,0,0]=4 138 B12R2.246 Oc1cc(c2cn[nH]c2c1)Cl 271570a_203496583355_100000050090 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.246 Oc1cc(c2cn[nH]c2c1)F 271570a_203496583355_100010185991 [0,1,0,0,0,0|3,0,0]=4 140 B12R2.246 Oc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010185960 [0,1,0,0,0,0|2,0,0]=3 141 B12R2.246 Oc1cc(cc2c1cc[nH]2)Br 271570a_203496583355_100009814761 [0,1,0,0,0,0|3,0,0]=4 142 B12R2.246 Oc1cc(cc2c1cc[nH]2)F 271570a_203496583355_100010188273 [0,1,0,0,0,0|3,0,0]=4 143 B12R2.246 Oc1cc(cc2c1cn[nH]2)Br 271570a_203496583355_100009814777 [0,1,0,0,0,0|2,0,0]=3 144 B12R2.246 Oc1cc(cc2c1cn[nH]2)Cl 271570a_203496583355_100000050163 [0,1,0,0,0,0|2,0,0]=3 145 B12R2.246 Oc1cc(cc2c1cn[nH]2)F 271570a_203496583355_100010185992 [0,1,0,0,0,0|2,0,0]=3 146 B12R2.246 Oc1cc(nc2c1cn[nH]2)F 271570a_203496583355_103551249018 [0,1,0,0,0,0|1,0,0]=2 147 B12R2.315 C=Cc1cccc2c1cn[nH]2 271570a_100011290941_100000753301 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.315 C=Cc1ccnc2c1cc[nH]2 271570a_100011290941_100000049914 [0,1,0,0,0,0|3,0,0]=4 149 B12R2.315 C=Cc1ccnc2c1cn[nH]2 271570a_100011290941_100009819725 [0,1,0,0,0,0|2,0,0]=3 150 B12R2.315 C=Cc1ccnc2c1nn[nH]2 271570a_100011290941_100009853804 [0,1,0,0,0,0|3,0,0]=4 151 B12R2.315 C=Cc1nccc2c1cc[nH]2 271570a_100011290941_100000086534 [0,1,0,0,0,0|3,0,0]=4 152 B12R2.315 C=Cc1nccc2c1cn[nH]2 271570a_100011290941_100102525074 [0,1,0,0,0,0|2,0,0]=3 153 B12R2.315 C=Cc1ncnc2c1CCN2 271570a_100011290941_200000104052 [0,1,0,0,0,0|2,0,1]=4 154 B12R2.315 C=Cc1ncnc2c1cco2 271570a_100011290941_100000094286 [0,1,0,0,0,0|3,0,0]=4 155 B12R2.315 C=Cc1ncnc2c1ccs2 271570a_100011290941_100000183654 [0,1,0,0,0,0|3,0,0]=4 156 B12R2.315 C=Cc1ncnc2c1cn[nH]2 271570a_100011290941_100000735611 [0,1,0,0,0,0|1,0,0]=2 157 B12R2.315 CNc1ccnc2c1nn[nH]2 27a_100102657272_100009853804 [0,1,0,0,0,0|3,0,0]=4 158 B12R2.315 CNc1ncnc2c1CCN2 27a_100102657272_200000104052 [0,1,0,0,0,0|2,0,1]=4 159 B12R2.315 CNc1ncnc2c1cco2 27a_100102657272_100000094286 [0,1,0,0,0,0|3,0,0]=4 160 B12R2.315 CNc1ncnc2c1ccs2 27a_100102657272_100000183654 [0,1,0,0,0,0|3,0,0]=4 161 B12R2.315 CNc1ncnc2c1cn[nH]2 27a_100102657272_100000735611 [0,1,0,0,0,0|1,0,0]=2 162 B12R2.315 COc1cccc2c1cc[nH]2 34a_100000763377_200000210301 [0,1,0,0,0,0|3,0,0]=4 163 B12R2.315 CSc1cccc2c1cn[nH]2 62a_200000210301_100000753301 [0,1,0,0,0,0|2,1,0]=4 164 B12R2.315 CSc1ccnc2c1cc[nH]2 62a_200000210301_100000766882 [0,1,0,0,0,0|2,1,0]=4 165 B12R2.315 CSc1ccnc2c1nn[nH]2 62a_200000210301_100009853804 [0,1,0,0,0,0|2,1,0]=4 166 B12R2.315 CSc1nccc2c1cc[nH]2 62a_200000210301_100000086534 [0,1,0,0,0,0|2,1,0]=4 167 B12R2.315 CSc1ncnc2c1CCN2 62a_200000104052_200000210301 [0,1,0,0,0,0|1,1,1]=4 168 B12R2.315 CSc1ncnc2c1CCN2 62a_200000210301_200000104052 [0,1,0,0,0,0|1,1,1]=4 169 B12R2.315 CSc1ncnc2c1cco2 62a_200000210301_100000094286 [0,1,0,0,0,0|2,1,0]=4 170 B12R2.315 CSc1ncnc2c1ccs2 62a_200000210301_100000183654 [0,1,0,0,0,0|2,1,0]=4 171 B12R2.315 CSc1ncnc2c1cn[nH]2 62a_200000210301_100000735611 [0,1,0,0,0,0|0,1,0]=2 172 B12R2.315 [13CH3]Oc1cccc2c1cc[nH]2 34a_100000763377_200025704644 [0,1,0,0,0,0|3,0,0]=4 173 B12R2.315 [13CH3]Sc1cccc2c1cn[nH]2 62a_200025704644_100000753301 [0,1,0,0,0,0|2,1,0]=4 174 B12R2.315 [13CH3]Sc1ccnc2c1cc[nH]2 62a_200025704644_100000766882 [0,1,0,0,0,0|2,1,0]=4 175 B12R2.315 [13CH3]Sc1ccnc2c1nn[nH]2 62a_200025704644_100009853804 [0,1,0,0,0,0|2,1,0]=4 176 B12R2.315 [13CH3]Sc1nccc2c1cc[nH]2 62a_200025704644_100000086534 [0,1,0,0,0,0|2,1,0]=4 177 B12R2.315 [13CH3]Sc1ncnc2c1CCN2 62a_200000104052_200025704644 [0,1,0,0,0,0|1,1,1]=4 178 B12R2.315 [13CH3]Sc1ncnc2c1CCN2 62a_200025704644_200000104052 [0,1,0,0,0,0|1,1,1]=4 179 B12R2.315 [13CH3]Sc1ncnc2c1cco2 62a_200025704644_100000094286 [0,1,0,0,0,0|2,1,0]=4 180 B12R2.315 [13CH3]Sc1ncnc2c1ccs2 62a_200025704644_100000183654 [0,1,0,0,0,0|2,1,0]=4 181 B12R2.315 [13CH3]Sc1ncnc2c1cn[nH]2 62a_200025704644_100000735611 [0,1,0,0,0,0|0,1,0]=2 182 B10R1.2 C=Cc1ncnc(c1C)O 271570a_100011290941_100011912821 [0,0,1,0,0,0|2,0,1]=4 183 B10R1.2 C=Cc1ncnc(c1N)O 271570a_100011290941_100011795086 [0,0,1,0,0,0|3,0,0]=4 184 B10R1.2 CCc1ncnc(c1F)O 271570a_203496583355_100000685531 [0,0,1,0,0,0|3,0,0]=4 185 B10R1.2 CNc1ccnc(c1N)O 271570a_203496583355_200000076579 [0,0,1,0,0,0|3,0,0]=4 186 B10R1.2 CNc1ncnc(c1C)C 27a_100102657272_100011438038 [0,0,1,0,0,0|2,0,1]=4 187 B10R1.2 CNc1ncnc(c1C)N 27a_100102657272_100011913465 [0,0,1,0,0,0|2,0,1]=4 188 B10R1.2 CNc1ncnc(c1C)O 271570a_203496583355_200011913118 [0,0,1,0,0,0|1,0,1]=3 189 B10R1.2 CNc1ncnc(c1C)O 27a_100102657272_100011912821 [0,0,1,0,0,0|1,0,1]=3 190 B10R1.2 CNc1ncnc(c1F)C 27a_100102657272_100011671633 [0,0,1,0,0,0|3,0,0]=4 191 B10R1.2 CNc1ncnc(c1F)N 27a_100102657272_100000126652 [0,0,1,0,0,0|3,0,0]=4 192 B10R1.2 CNc1ncnc(c1N)O 271570a_203496583355_100011794930 [0,0,1,0,0,0|2,0,0]=3 193 B10R1.2 COc1ncnc(c1C)O 271570a_203496583355_200011912725 [0,0,1,0,0,0|2,0,1]=4 194 B10R1.2 COc1ncnc(c1N)O 271570a_203496583355_100000686339 [0,0,1,0,0,0|3,0,0]=4 195 B10R1.2 CSc1ncnc(c1C)O 62a_200000210301_100011912821 [0,0,1,0,0,0|2,0,1]=4 196 B10R1.2 CSc1ncnc(c1N)O 62a_200000210301_100011795086 [0,0,1,0,0,0|3,0,0]=4 197 B10R1.2 Cc1c(ncnc1S[13CH3])O 62a_200025704644_100011912821 [0,0,1,0,0,0|2,0,1]=4 198 B10R1.2 [13CH3]Sc1ncnc(c1N)O 62a_200025704644_100011795086 [0,0,1,0,0,0|3,0,0]=4 199 B10R1.4 C=C=Cc1cncnc1Br 271570a_100015277604_200012461658 [0,0,1,0,0,0|3,0,0]=4 200 B10R1.4 C=C=Cc1cncnc1C 271570a_100015277604_100009819671 [0,0,1,0,0,0|3,0,0]=4 201 B10R1.4 C=C=Cc1cncnc1Cl 271570a_100015277604_100000758962 [0,0,1,0,0,0|3,0,0]=4 202 B10R1.4 C=C=Cc1cncnc1N 271570a_100015277604_100011996079 [0,0,1,0,0,0|3,0,0]=4 203 B10R1.4 C=C=Cc1cncnc1O 271570a_100015277604_100000751107 [0,0,1,0,0,0|2,0,0]=3 204 B10R1.4 CC=Cc1cncnc1Br 271570a_100016259895_200012461658 [0,0,1,0,0,0|3,0,0]=4 205 B10R1.4 CC=Cc1cncnc1C 271570a_100016259895_100009819671 [0,0,1,0,0,0|3,0,0]=4 206 B10R1.4 CC=Cc1cncnc1Cl 271570a_100016259895_100000758962 [0,0,1,0,0,0|3,0,0]=4 207 B10R1.4 CC=Cc1cncnc1N 271570a_100016259895_100011996079 [0,0,1,0,0,0|3,0,0]=4 208 B10R1.4 CC=Cc1cncnc1O 271570a_100016259895_100000751107 [0,0,1,0,0,0|2,0,0]=3 209 B10R1.4 CCSc1cncnc1O 62a_100000210202_100000751107 [0,0,1,0,0,0|3,0,0]=4 210 B10R1.4 CCSc1cncnc1O 62a_100000751107_100000210202 [0,0,1,0,0,0|3,0,0]=4 211 B10R1.4 Oc1ncncc1SCF 62a_100000751107_100015361967 [0,0,1,0,0,0|3,0,0]=4 212 B10R1.4 Oc1ncncc1SCF 62a_100015361967_100000751107 [0,0,1,0,0,0|3,0,0]=4 213 B10R1.10 C=C=Cc1cc(ccn1)O 271570a_100015277604_100000762945 [0,0,1,0,0,0|3,0,0]=4 214 B10R1.10 C=C=Cc1cc(ncn1)C 271570a_100015277604_100000744208 [0,0,1,0,0,0|3,0,0]=4 215 B10R1.10 C=C=Cc1cc(ncn1)F 271570a_100015277604_200009880791 [0,0,1,0,0,0|3,0,0]=4 216 B10R1.10 C=C=Cc1cc(ncn1)N 271570a_100015277604_100000701291 [0,0,1,0,0,0|3,0,0]=4 217 B10R1.10 C=C=Cc1cc(ncn1)O 271570a_100015277604_100000765262 [0,0,1,0,0,0|2,0,0]=3 218 B10R1.10 CC=Cc1cc(ncn1)O 271570a_100016259895_100000765262 [0,0,1,0,0,0|2,0,1]=4 219 B10R1.10 CCNc1cc(ncn1)C 27a_100015525214_100000744208 [0,0,1,0,0,0|2,0,1]=4 220 B10R1.10 CCNc1cc(ncn1)F 27a_100015525214_200009880791 [0,0,1,0,0,0|2,0,1]=4 221 B10R1.10 CCNc1cc(ncn1)N 27a_100015525214_100000701291 [0,0,1,0,0,0|2,0,1]=4 222 B10R1.10 CCNc1cc(ncn1)O 271570a_203496583355_200000242512 [0,0,1,0,0,0|1,0,1]=3 223 B10R1.10 CCNc1cc(ncn1)O 27a_100015525214_100000765262 [0,0,1,0,0,0|1,0,1]=3 224 B10R1.10 CCOc1cc(ncn1)O 271570a_203496583355_100000765465 [0,0,1,0,0,0|2,0,1]=4 225 B10R1.10 CCSc1cc(ncn1)O 62a_100000210202_100000765262 [0,0,1,0,0,0|2,0,1]=4 226 B10R1.10 COCc1cc(ncn1)O 271570a_203496583355_100000688101 [0,0,1,0,0,0|2,0,1]=4 227 B10R1.10 Oc1cc(ncn1)SCF 62a_100015361967_100000765262 [0,0,1,0,0,0|3,0,0]=4 228 B10R1.245 C=Cc1c(cccc1O)N 271570a_100011290941_100012183704 [0,0,1,0,0,0|3,0,0]=4 229 B10R1.245 C=Cc1c(ccnc1C)N 271570a_100011290941_100010243816 [0,0,1,0,0,0|3,0,0]=4 230 B10R1.245 C=Cc1c(ccnc1F)N 271570a_100011290941_100010381272 [0,0,1,0,0,0|3,0,0]=4 231 B10R1.245 C=Cc1c(ccnc1N)C 271570a_100011290941_100011998619 [0,0,1,0,0,0|3,0,0]=4 232 B10R1.245 C=Cc1c(ccnc1N)Cl 271570a_100011290941_100010199028 [0,0,1,0,0,0|3,0,0]=4 233 B10R1.245 C=Cc1c(ccnc1O)C 271570a_100011290941_100012000493 [0,0,1,0,0,0|3,0,0]=4 234 B10R1.245 C=Cc1c(ccnc1O)O 271570a_100011290941_200009817435 [0,0,1,0,0,0|3,0,0]=4 235 B10R1.245 C=Cc1c(ncnc1C)C 271570a_100011290941_100009820708 [0,0,1,0,0,0|3,0,0]=4 236 B10R1.245 C=Cc1c(ncnc1F)F 271570a_100011290941_100009816962 [0,0,1,0,0,0|3,0,0]=4 237 B10R1.245 C=Cc1c(ncnc1N)C 271570a_100011290941_100011996190 [0,0,1,0,0,0|2,0,0]=3 238 B10R1.245 C=Cc1c(ncnc1N)N 271570a_100011290941_100010128106 [0,0,1,0,0,0|2,0,0]=3 239 B10R1.245 COc1c(ccnc1N)O 271570a_203496583355_100009880012 [0,0,1,0,0,0|3,0,0]=4 240 B10R1.245 COc1c(ccnc1O)N 271570a_203496583355_100000104429 [0,0,1,0,0,0|3,0,0]=4 241 B10R1.245 COc1c(ncnc1Cl)N 34a_100000124137_200000210301 [0,0,1,0,0,0|3,0,0]=4 242 B10R1.245 COc1c(ncnc1Cl)N 7a_100000124137_200000210301 [0,0,1,0,0,0|3,0,0]=4 243 B10R1.245 COc1c(ncnc1O)N 271570a_203496583355_100011998528 [0,0,1,0,0,0|2,0,0]=3 244 B10R1.245 CSc1c(ncnc1Cl)N 62a_100010371481_200000210301 [0,0,1,0,0,0|3,0,0]=4 245 B10R1.245 CSc1c(ncnc1Cl)N 62a_200000210301_100010371481 [0,0,1,0,0,0|3,0,0]=4 246 B10R1.245 CSc1c(ncnc1N)C 62a_100011996190_200000210301 [0,0,1,0,0,0|3,0,0]=4 247 B10R1.245 CSc1c(ncnc1N)C 62a_200000210301_100011996190 [0,0,1,0,0,0|3,0,0]=4 248 B10R1.245 CSc1c(ncnc1N)N 62a_100010128106_200000210301 [0,0,1,0,0,0|3,0,0]=4 249 B10R1.245 CSc1c(ncnc1N)N 62a_200000210301_100010128106 [0,0,1,0,0,0|3,0,0]=4 250 B10R1.245 CSc1c(ncnc1O)O 62a_200000210301_100000006518 [0,0,1,0,0,0|3,0,0]=4 251 B10R1.245 Cc1ncnc(c1S[13CH3])N 62a_100011996190_200025704644 [0,0,1,0,0,0|3,0,0]=4 252 B10R1.245 Cc1ncnc(c1S[13CH3])N 62a_200025704644_100011996190 [0,0,1,0,0,0|3,0,0]=4 253 B10R1.245 N#Cc1c(ncnc1O)N 271570a_203496583355_100000086035 [0,0,1,0,0,0|0,0,2]=3 254 B10R1.245 Nc1cccc(c1C=O)O 271570a_203496583355_100010232536 [0,0,1,0,0,0|3,0,0]=4 255 B10R1.245 Nc1nccc(c1C=O)O 271570a_203496583355_100009843235 [0,0,1,0,0,0|2,0,0]=3 256 B10R1.245 Nc1ncnc(c1C=O)O 271570a_203496583355_100000765549 [0,0,1,0,0,0|1,0,0]=2 257 B10R1.245 O=Cc1c(ccnc1Cl)O 271570a_203496583355_100000047006 [0,0,1,0,0,0|3,0,0]=4 258 B10R1.245 O=Cc1c(ccnc1F)O 271570a_203496583355_100009828249 [0,0,1,0,0,0|3,0,0]=4 259 B10R1.245 O=Cc1c(ccnc1O)O 271570a_203496583355_200010729673 [0,0,1,0,0,0|3,0,0]=4 260 B10R1.245 [13CH3]Oc1c(ncnc1Cl)N 34a_100000124137_200025704644 [0,0,1,0,0,0|3,0,0]=4 261 B10R1.245 [13CH3]Oc1c(ncnc1Cl)N 7a_100000124137_200025704644 [0,0,1,0,0,0|3,0,0]=4 262 B10R1.245 [13CH3]Sc1c(ncnc1Cl)N 62a_100010371481_200025704644 [0,0,1,0,0,0|3,0,0]=4 263 B10R1.245 [13CH3]Sc1c(ncnc1Cl)N 62a_200025704644_100010371481 [0,0,1,0,0,0|3,0,0]=4 264 B10R1.245 [13CH3]Sc1c(ncnc1N)N 62a_100010128106_200025704644 [0,0,1,0,0,0|3,0,0]=4 265 B10R1.245 [13CH3]Sc1c(ncnc1N)N 62a_200025704644_100010128106 [0,0,1,0,0,0|3,0,0]=4 266 B10R1.245 [13CH3]Sc1c(ncnc1O)O 62a_200025704644_100000006518 [0,0,1,0,0,0|3,0,0]=4 267 B12R2.1081 Oc1cccc2c1ccnc2 271570a_203496583355_100000186358 [0,0,0,0,0,1|3,0,0]=4 268 B12R2.1081 Oc1cccc2c1cncc2 271570a_203496583355_100000685578 [0,0,0,0,0,1|3,0,0]=4 269 B12R2.1081 Oc1cccc2c1cncn2 271570a_203496583355_100009814520 [0,0,0,0,0,1|2,0,1]=4 270 B12R2.1081 Oc1cccc2c1ncnc2 271570a_203496583355_100010246313 [0,0,0,0,0,1|3,0,0]=4 271 B12R2.1081 Oc1ccnc2c1cccc2 271570a_203496583355_100011215880 [0,0,0,0,0,1|3,0,0]=4 272 B12R2.1081 Oc1ccnc2c1cccn2 271570a_203496583355_100000087570 [0,0,0,0,0,1|2,0,1]=4 273 B12R2.1081 Oc1ccnc2c1cncc2 271570a_203496583355_100000095135 [0,0,0,0,0,1|2,0,0]=3 274 B12R2.1081 Oc1ccnc2c1nccn2 271570a_203496583355_100010783457 [0,0,0,0,0,1|2,0,1]=4 275 B12R2.1081 Oc1nccc2c1cccc2 271570a_203496583355_100011934041 [0,0,0,0,0,1|3,0,0]=4 276 B12R2.1081 Oc1nccc2c1cccn2 271570a_203496583355_100000077681 [0,0,0,0,0,1|2,0,1]=4 277 B12R2.1081 Oc1nccc2c1cncc2 271570a_203496583355_100000116921 [0,0,0,0,0,1|2,0,0]=3 278 B12R2.1081 Oc1nccc2c1nccc2 271570a_203496583355_100010063729 [0,0,0,0,0,1|3,0,0]=4 279 B12R2.1081 Oc1nccc2c1nccn2 271570a_203496583355_100010063732 [0,0,0,0,0,1|2,0,1]=4 280 B12R2.1081 Oc1ncnc2c1CCCC2 271570a_203496583355_100011467579 [0,0,0,0,0,1|2,0,1]=4 281 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [0,0,0,0,0,1|2,0,0]=3 282 B12R2.1081 Oc1ncnc2c1cccn2 271570a_203496583355_100000026734 [0,0,0,0,0,1|1,0,1]=3 283 B12R2.1081 Oc1ncnc2c1ccnc2 271570a_203496583355_100000098430 [0,0,0,0,0,1|1,0,0]=2 284 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [1,0,1,0,0,0|2,0,0]=4 285 B9R1.2 C=Cc1cc(ncn1)C 271570a_100011290941_100000744208 [1,0,1,0,0,0|2,0,0]=4 286 B9R1.2 C=Cc1cc(ncn1)F 271570a_100011290941_200009880791 [1,0,1,0,0,0|2,0,0]=4 287 B9R1.2 C=Cc1cc(ncn1)N 271570a_100011290941_100000701291 [1,0,1,0,0,0|2,0,0]=4 288 B9R1.2 C=Cc1cc(ncn1)O 271570a_100011290941_100000765262 [1,0,1,0,0,0|1,0,0]=3 289 B9R1.2 CCc1cc(ncn1)O 271570a_203496583355_100000744278 [1,0,1,0,0,0|1,0,1]=4 290 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [1,0,1,0,0,0|1,0,1]=4 291 B9R1.2 CNc1cc(ncn1)C 27a_100102657272_100000744208 [1,0,1,0,0,0|1,0,1]=4 292 B9R1.2 CNc1cc(ncn1)F 27a_100102657272_200009880791 [1,0,1,0,0,0|1,0,1]=4 293 B9R1.2 CNc1cc(ncn1)N 27a_100102657272_100000701291 [1,0,1,0,0,0|1,0,1]=4 294 B9R1.2 CNc1cc(ncn1)O 271570a_203496583355_100000756605 [1,0,1,0,0,0|0,0,1]=3 295 B9R1.2 CNc1cc(ncn1)O 27a_100102657272_100000765262 [1,0,1,0,0,0|0,0,1]=3 296 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [1,0,1,0,0,0|1,0,1]=4 297 B9R1.2 COc1cc(ncn1)O 271570a_203496583355_100012187182 [1,0,1,0,0,0|1,0,1]=4 298 B9R1.2 CSc1cc(ncn1)O 271570a_203496583355_100011443430 [1,0,1,0,0,0|1,0,1]=4 299 B9R1.2 CSc1cc(ncn1)O 62a_200000210301_100000765262 [1,0,1,0,0,0|1,0,1]=4 300 B9R1.2 N#Cc1cc(ncn1)O 271570a_203496583355_100000092509 [1,0,1,0,0,0|1,0,1]=4 301 B9R1.2 NNc1cc(ccn1)O 271570a_203496583355_100000764631 [1,0,1,0,0,0|1,0,1]=4 302 B9R1.2 NNc1cc(ncn1)O 271570a_203496583355_100000242035 [1,0,1,0,0,0|0,0,1]=3 303 B9R1.2 OCc1cc(ncn1)O 271570a_203496583355_100000731546 [1,0,1,0,0,0|2,0,0]=4 304 B9R1.2 [13CH3]Sc1cc(ncn1)O 62a_200025704644_100000765262 [1,0,1,0,0,0|1,0,1]=4 305 B9R1.3 Cc1c(ccnc1N)O 271570a_203496583355_100009865460 [1,0,1,0,0,0|1,0,1]=4 306 B9R1.3 Cc1c(ccnc1O)N 271570a_203496583355_100009980296 [1,0,1,0,0,0|1,0,1]=4 307 B9R1.3 Cc1c(ncnc1O)N 271570a_203496583355_100011913465 [1,0,1,0,0,0|0,0,1]=3 308 B9R1.3 Cc1c(ncnc1O)O 271570a_203496583355_100011912821 [1,0,1,0,0,0|1,0,1]=4 309 B9R1.3 Cc1ncnc(c1C)O 271570a_203496583355_100011438038 [1,0,1,0,0,0|1,0,1]=4 310 B9R1.3 Cc1ncnc(c1F)O 271570a_203496583355_100011671633 [1,0,1,0,0,0|2,0,0]=4 311 B9R1.3 Cc1ncnc(c1O)N 271570a_203496583355_100011996190 [1,0,1,0,0,0|2,0,0]=4 312 B9R1.3 Nc1c(ncnc1O)O 271570a_203496583355_100011795086 [1,0,1,0,0,0|1,0,1]=4 313 B9R1.3 Nc1ccnc(c1F)O 271570a_203496583355_100015205195 [1,0,1,0,0,0|2,0,0]=4 314 B9R1.3 Nc1ccnc(c1N)O 271570a_203496583355_100000085203 [1,0,1,0,0,0|1,0,1]=4 315 B9R1.3 Nc1nccc(c1Cl)O 271570a_203496583355_100010735111 [1,0,1,0,0,0|2,0,0]=4 316 B9R1.3 Nc1nccc(c1F)O 271570a_203496583355_100010077785 [1,0,1,0,0,0|2,0,0]=4 317 B9R1.3 Nc1nccc(c1N)O 271570a_203496583355_100000124095 [1,0,1,0,0,0|1,0,1]=4 318 B9R1.3 Nc1ncnc(c1F)O 271570a_203496583355_100000126652 [1,0,1,0,0,0|1,0,0]=3 319 B9R1.3 Nc1ncnc(c1N)O 271570a_203496583355_100000766367 [1,0,1,0,0,0|0,0,1]=3 320 B9R1.3 Nc1ncnc(c1O)N 271570a_203496583355_100010128106 [1,0,1,0,0,0|2,0,0]=4 321 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [1,0,1,0,0,0|2,0,0]=4 322 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [1,0,1,0,0,0|2,0,0]=4 323 B9R1.15 C=Cc1cncnc1Br 271570a_100011290941_200012461658 [1,0,1,0,0,0|2,0,0]=4 324 B9R1.15 C=Cc1cncnc1C 271570a_100011290941_100009819671 [1,0,1,0,0,0|2,0,0]=4 325 B9R1.15 C=Cc1cncnc1Cl 271570a_100011290941_100000758962 [1,0,1,0,0,0|2,0,0]=4 326 B9R1.15 C=Cc1cncnc1N 271570a_100011290941_100011996079 [1,0,1,0,0,0|1,0,0]=3 327 B9R1.15 C=Cc1cncnc1O 271570a_100011290941_100000751107 [1,0,1,0,0,0|1,0,0]=3 328 B9R1.15 CCc1cncnc1O 271570a_203496583355_200000100055 [1,0,1,0,0,0|1,0,1]=4 329 B9R1.15 CNc1ncncc1C 27a_100102657272_100011998708 [1,0,1,0,0,0|1,0,1]=4 330 B9R1.15 CNc1ncncc1F 27a_100102657272_100000069762 [1,0,1,0,0,0|2,0,0]=4 331 B9R1.15 CNc1ncncc1N 27a_100102657272_100000709731 [1,0,1,0,0,0|2,0,0]=4 332 B9R1.15 CNc1ncncc1O 271570a_203496583355_200012180720 [1,0,1,0,0,0|2,0,0]=4 333 B9R1.15 COc1cncnc1N 7a_100000112926_200000210301 [1,0,1,0,0,0|2,0,0]=4 334 B9R1.15 COc1cncnc1O 271570a_203496583355_100012001275 [1,0,1,0,0,0|2,0,0]=4 335 B9R1.15 CSc1cncnc1N 62a_100011996079_200000210301 [1,0,1,0,0,0|2,0,0]=4 336 B9R1.15 CSc1cncnc1N 62a_200000210301_100011996079 [1,0,1,0,0,0|2,0,0]=4 337 B9R1.15 CSc1cncnc1O 62a_100000751107_200000210301 [1,0,1,0,0,0|2,0,0]=4 338 B9R1.15 CSc1cncnc1O 62a_200000210301_100000751107 [1,0,1,0,0,0|2,0,0]=4 339 B9R1.15 N#Cc1cncnc1O 271570a_203496583355_100000687955 [1,0,1,0,0,0|0,0,2]=4 340 B9R1.15 NCc1cccnc1O 271570a_203496583355_100015189234 [1,0,1,0,0,0|1,0,1]=4 341 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,0,1,0,0,0|2,0,0]=4 342 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [1,0,1,0,0,0|2,0,0]=4 343 B9R1.15 [13CH3]Oc1cncnc1N 7a_100000112926_200025704644 [1,0,1,0,0,0|2,0,0]=4 344 B9R1.15 [13CH3]Sc1cncnc1N 62a_100011996079_200025704644 [1,0,1,0,0,0|2,0,0]=4 345 B9R1.15 [13CH3]Sc1cncnc1N 62a_200025704644_100011996079 [1,0,1,0,0,0|2,0,0]=4 346 B9R1.15 [13CH3]Sc1cncnc1O 62a_100000751107_200025704644 [1,0,1,0,0,0|2,0,0]=4 347 B9R1.15 [13CH3]Sc1cncnc1O 62a_200025704644_100000751107 [1,0,1,0,0,0|2,0,0]=4 348 B9R1.8 C=C=Cc1ccncn1 271570a_100015277604_100000703185 [1,0,1,0,0,0|2,0,0]=4 349 B9R1.8 C=C=Cc1cncnc1 271570a_100015277604_100011206942 [1,0,1,0,0,0|2,0,0]=4 350 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [1,0,1,0,0,0|2,0,0]=4 351 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [1,0,1,0,0,0|1,0,1]=4 352 B11R1.13 CCNc1ncnc(c1C)O 27a_100015525214_100011912821 [0,1,1,0,0,0|1,0,1]=4 353 B11R1.13 CCNc1ncnc(c1N)O 271570a_203496583355_100000701126 [0,1,1,0,0,0|2,0,0]=4 354 B11R1.159 CN(C)c1ncnc(c1N)O 271570a_203496583355_200000684581 [0,1,1,0,0,0|2,0,0]=4 355 B11R1.159 Cc1c(ncnc1N(C)C)O 27a_100102631434_100011912821 [0,1,1,0,0,0|1,0,1]=4 356 B11R1.265 CNc1ncnc(c1C=O)O 271570a_203496583355_200012279091 [0,1,1,0,0,0|1,0,0]=3 357 B11R1.267 CNc1ncnc(c1C)OC 27a_100102657272_200011912725 [0,1,1,0,0,0|1,0,1]=4 358 B11R1.41 C=C=Cc1cncnc1OC 271570a_100015277604_100000719902 [0,1,1,0,0,0|2,0,0]=4 359 B11R1.41 CC=Cc1cncnc1OC 271570a_100016259895_100000719902 [0,1,1,0,0,0|2,0,0]=4 360 B11R1.86 CC(=Cc1cncnc1O)C 271570a_100102525489_100000751107 [0,1,1,0,0,0|2,0,0]=4 361 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,1,1,0,0,0|2,0,0]=4 362 B11R1.23 CCN(C)c1cc(ncn1)O 271570a_203496583355_200011443306 [0,1,1,0,0,0|1,0,1]=4 363 B11R1.24 C#CCNc1cc(ncn1)O 27a_100000212058_100000765262 [0,1,1,0,0,0|1,0,1]=4 364 B11R1.24 C=CCNc1cc(ncn1)C 27a_100020586998_100000744208 [0,1,1,0,0,0|2,0,0]=4 365 B11R1.24 C=CCNc1cc(ncn1)F 27a_100020586998_200009880791 [0,1,1,0,0,0|2,0,0]=4 366 B11R1.24 C=CCNc1cc(ncn1)N 27a_100020586998_100000701291 [0,1,1,0,0,0|2,0,0]=4 367 B11R1.24 C=CCNc1cc(ncn1)O 27a_100020586998_100000765262 [0,1,1,0,0,0|1,0,0]=3 368 B11R1.24 C=CCSc1cc(ncn1)O 62a_100000210623_100000765262 [0,1,1,0,0,0|2,0,0]=4 369 B11R1.24 CC=NNc1cc(=O)[nH]cn1 4a_100000182047_200000210099 [0,1,1,0,0,0|0,0,2]=4 370 B11R1.24 CC=NNc1cc(ccn1)Br 4a_100000764631_200000210099 [0,1,1,0,0,0|2,0,0]=4 371 B11R1.24 CC=NNc1cc(ccn1)C 4a_100000746014_200000210099 [0,1,1,0,0,0|2,0,0]=4 372 B11R1.24 CC=NNc1cc(ccn1)Cl 4a_100102524961_200000210099 [0,1,1,0,0,0|2,0,0]=4 373 B11R1.24 CC=NNc1cc(ccn1)I 4a_100010221011_200000210099 [0,1,1,0,0,0|2,0,0]=4 374 B11R1.24 CC=NNc1ccnc(c1)Cl 4a_100000089018_200000210099 [0,1,1,0,0,0|2,0,0]=4 375 B11R1.24 CCCNc1cc(ncn1)O 271570a_203496583355_100011443280 [0,1,1,0,0,0|1,0,1]=4 376 B11R1.24 O=CCSc1cc(ncn1)O 62a_200015260668_100000765262 [0,1,1,0,0,0|2,0,0]=4 377 B11R1.24 OCCNc1cc(ncn1)O 271570a_203496583355_200011443279 [0,1,1,0,0,0|1,0,1]=4 378 B11R1.24 OCCNc1cc(ncn1)O 27a_100000210304_100000765262 [0,1,1,0,0,0|1,0,1]=4 379 B11R1.34 C=C=Cc1cc(nc(n1)C)O 271570a_100015277604_106741647437 [0,1,1,0,0,0|2,0,0]=4 380 B11R1.34 C=C=Cc1cc(nc(n1)N)O 271570a_100015277604_100000694715 [0,1,1,0,0,0|2,0,0]=4 381 B11R1.34 CCNc1cc(nc(n1)C)O 27a_100015525214_106741647437 [0,1,1,0,0,0|1,0,1]=4 382 B11R1.34 CCNc1cc(nc(n1)N)O 271570a_203496583355_100011228705 [0,1,1,0,0,0|1,0,1]=4 383 B11R1.34 CCNc1cc(nc(n1)N)O 27a_100015525214_100000694715 [0,1,1,0,0,0|1,0,1]=4 384 B11R1.157 CC(C)Nc1cc(ncn1)O 271570a_203496583355_200011443281 [0,1,1,0,0,0|1,0,1]=4 385 B11R1.157 CC(C)Nc1cc(ncn1)O 27a_100138425928_100000765262 [0,1,1,0,0,0|1,0,1]=4 386 B11R1.189 C=C=Cc1cc(ncn1)CO 271570a_100015277604_100000731546 [0,1,1,0,0,0|2,0,0]=4 387 B11R1.189 C=C=Cc1cc(ncn1)OC 271570a_100015277604_100012187182 [0,1,1,0,0,0|2,0,0]=4 388 B11R1.189 CCNc1cc(ncn1)CO 27a_100015525214_100000731546 [0,1,1,0,0,0|1,0,1]=4 389 B11R1.189 CCNc1cc(ncn1)OC 27a_100015525214_100000049997 [0,1,1,0,0,0|1,0,1]=4 390 B11R1.29 CC=NNC(=O)c1cn[nH]c1 4a_100011317056_200000210099 [0,1,1,0,0,0|1,0,1]=4 391 B11R1.156 C=C(C)c1c(ncnc1N)C 271570a_100000694244_100011996190 [0,1,1,0,0,0|2,0,0]=4 392 B11R1.156 C=C(C)c1c(ncnc1N)N 271570a_100000694244_100010128106 [0,1,1,0,0,0|2,0,0]=4 393 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [0,1,1,0,0,0|2,0,0]=4 394 B11R1.156 CC(C)c1c(ncnc1O)N 271570a_203496583355_200011913463 [0,1,1,0,0,0|1,0,1]=4 395 B11R1.464 C=Cc1c(nc(nc1O)N)C 271570a_100011290941_200000008613 [0,1,1,0,0,0|2,0,0]=4 396 B11R1.464 CSc1c(nc(nc1O)N)N 62a_200009812812_200000210301 [0,1,1,0,0,0|2,0,0]=4 397 B11R1.464 N#Cc1c(nc(nc1O)N)N 271570a_203496583355_100010978646 [0,1,1,0,0,0|0,0,2]=4 398 B11R1.464 [13CH3]Sc1c(nc(nc1O)N)N 62a_200009812812_200025704644 [0,1,1,0,0,0|2,0,0]=4 399 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,1,0,0,0,0|2,0,0]=4 400 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,1,0,0,0,0|2,0,0]=4 401 B11R2.1 Oc1c[nH]c2c1cncn2 271570a_203496583355_100009817560 [1,1,0,0,0,0|1,0,0]=3 402 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,1,0,0,0,0|2,0,0]=4 403 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [1,1,0,0,0,0|1,0,0]=3 404 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [1,1,0,0,0,0|1,0,0]=3 405 B11R2.1 Oc1n[nH]c2c1cncn2 271570a_203496583355_100009875510 [1,1,0,0,0,0|0,0,0]=2 406 B11R2.1 Oc1n[nH]c2c1nccn2 271570a_203496583355_100009819591 [1,1,0,0,0,0|2,0,0]=4 407 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,1,0,0,0,0|2,0,0]=4 408 B11R2.36 Oc1cc2[nH]ccc2cn1 271570a_203496583355_100000089685 [1,1,0,0,0,0|2,0,0]=4 409 B11R2.36 Oc1cc2[nH]ncc2cn1 271570a_203496583355_100009872621 [1,1,0,0,0,0|1,0,0]=3 410 B11R2.36 Oc1ccc2[nH]ncc2c1 271570a_203496583355_100000049815 [1,1,0,0,0,0|2,0,0]=4 411 B11R2.36 Oc1ccc2cc[nH]c2n1 271570a_203496583355_100009814870 [1,1,0,0,0,0|2,0,0]=4 412 B11R2.36 Oc1ccc2cn[nH]c2c1 271570a_203496583355_100000049514 [1,1,0,0,0,0|2,0,0]=4 413 B11R2.36 Oc1ccc2cn[nH]c2n1 271570a_203496583355_100009883947 [1,1,0,0,0,0|1,0,0]=3 414 B11R2.36 Oc1cnc2[nH]ccc2c1 271570a_203496583355_100000760471 [1,1,0,0,0,0|2,0,0]=4 415 B11R2.36 Oc1cnc2[nH]ncc2c1 271570a_203496583355_100009814530 [1,1,0,0,0,0|1,0,0]=3 416 B11R2.36 Oc1cnc2[nH]ncc2n1 271570a_203496583355_100009856409 [1,1,0,0,0,0|2,0,0]=4 417 B11R2.36 Oc1cnc2[nH]nnc2c1 271570a_203496583355_100000753761 [1,1,0,0,0,0|2,0,0]=4 418 B11R2.36 Oc1ncc2[nH]ncc2n1 271570a_203496583355_100009843425 [1,1,0,0,0,0|2,0,0]=4 419 B11R2.36 Oc1ncc2ccsc2n1 271570a_203496583355_100009840870 [1,1,0,0,0,0|2,0,0]=4 420 B13R2.162 Cc1ccc2ncnc(c2c1)O 271570a_203496583355_100000743341 [0,1,0,0,0,1|2,0,0]=4 421 B13R2.162 Oc1cnc2ncnc(c2n1)O 271570a_203496583355_100010174828 [0,1,0,0,0,1|1,0,1]=4 422 B13R2.162 Oc1ncnc2c1cc(cc2)F 271570a_203496583355_100000743340 [0,1,0,0,0,1|2,0,0]=4 423 B13R2.328 Cc1nc(c2ccccc2n1)O 271570a_203496583355_100000230251 [0,1,0,0,0,1|2,0,0]=4 424 B13R2.328 Nc1cc2cnccc2c(n1)O 271570a_203496583355_100000690061 [0,1,0,0,0,1|2,0,0]=4 425 B13R2.342 Cc1cccc2c1ncnc2O 271570a_203496583355_100000751292 [0,1,0,0,0,1|2,0,0]=4 426 B13R2.342 Oc1ncnc2c1cccc2F 271570a_203496583355_100000693626 [0,1,0,0,0,1|2,0,0]=4 427 B13R2.342 Oc1ncnc2c1cccc2O 271570a_203496583355_100010201916 [0,1,0,0,0,1|2,0,0]=4 428 B13R2.1613 C=Cc1ncnc2c1ccnc2 271570a_100011290941_100000098430 [0,1,0,0,0,1|2,0,0]=4 429 B13R2.1613 CNc1ncnc2c1ccnc2 27a_100102657272_100000098430 [0,1,0,0,0,1|2,0,0]=4 430 B13R2.1613 CSc1ncnc2c1ccnc2 62a_200000210301_100000098430 [0,1,0,0,0,1|1,1,0]=4 431 B13R2.1613 [13CH3]Sc1ncnc2c1ccnc2 62a_200025704644_100000098430 [0,1,0,0,0,1|1,1,0]=4 432 B13R2.4818 Oc1ncnc2c1c(ccc2)F 271570a_203496583355_100000743342 [0,1,0,0,0,1|2,0,0]=4 433 B13R2.5179 Cc1ccc2c(ncnc2c1)O 271570a_203496583355_100000099684 [0,1,0,0,0,1|2,0,0]=4 434 B13R2.5179 Oc1cc2ccnc(c2cn1)O 271570a_203496583355_100020669822 [0,1,0,0,0,1|2,0,0]=4 435 B13R2.5179 Oc1ccc2c(ncnc2n1)O 271570a_203496583355_100000092995 [0,1,0,0,0,1|1,0,1]=4 436 B13R2.5179 Oc1ncnc2c1ccc(c2)F 271570a_203496583355_100000230349 [0,1,0,0,0,1|2,0,0]=4 437 B13R2.84 COc1ccc2[nH]ncc2c1O 271570a_203496583355_100010125576 [0,2,0,0,0,0|2,0,0]=4 438 B13R2.84 COc1cnc2[nH]ccc2c1O 271570a_203496583355_100000097410 [0,2,0,0,0,0|2,0,0]=4 439 B13R2.84 N#Cc1ccc2[nH]ncc2c1O 271570a_203496583355_100000100394 [0,2,0,0,0,0|2,0,0]=4 440 B13R2.84 N#Cc1cnc2[nH]ccc2c1O 271570a_203496583355_100000097403 [0,2,0,0,0,0|2,0,0]=4 441 B13R2.121 COc1c(ccc2c1cn[nH]2)O 271570a_203496583355_100009817061 [0,2,0,0,0,0|2,0,0]=4 442 B13R2.121 COc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010174914 [0,2,0,0,0,0|2,0,0]=4 443 B13R2.4899 Cc1c(cc2[nH]ncc2c1O)F 271570a_203496583355_106726393321 [0,2,0,0,0,0|2,0,0]=4 444 B13R2.5180 Cc1ccc2c(c1O)cnn2C 271570a_203496583355_100010255086 [0,2,0,0,0,0|2,0,0]=4 445 B13R2.9 CCn1cnc2c1ncnc2O 271570a_203496583355_100000058139 [0,2,0,0,0,0|2,0,0]=4 446 B13R2.573 C=Cc1ccnc2c1cnn2C 271570a_100011290941_100013479686 [0,2,0,0,0,0|2,0,0]=4 447 B13R2.573 C=Cc1nccc2c1cnn2C 271570a_100011290941_100015332818 [0,2,0,0,0,0|2,0,0]=4 448 B13R2.573 C=Cc1ncnc2c1ccn2C 271570a_100011290941_100000076352 [0,2,0,0,0,0|2,0,0]=4 449 B13R2.573 C=Cc1ncnc2c1cnn2C 271570a_100011290941_100000242733 [0,2,0,0,0,0|1,0,0]=3 450 B13R2.573 CNc1ccnc2c1cnn2C 27a_100102657272_100013479686 [0,2,0,0,0,0|2,0,0]=4 451 B13R2.573 CNc1nccc2c1cnn2C 27a_100102657272_100015332818 [0,2,0,0,0,0|2,0,0]=4 452 B13R2.573 CNc1ncnc2c1ccn2C 27a_100102657272_100000076352 [0,2,0,0,0,0|2,0,0]=4 453 B13R2.573 CNc1ncnc2c1cnn2C 27a_100102657272_100000242733 [0,2,0,0,0,0|1,0,0]=3 454 B13R2.573 COc1cccc2c1cnn2C 34a_100009856027_200000210301 [0,2,0,0,0,0|2,0,0]=4 455 B13R2.573 CSc1ccnc2c1cnn2C 62a_100013479686_200000210301 [0,2,0,0,0,0|1,1,0]=4 456 B13R2.573 CSc1ccnc2c1cnn2C 62a_200000210301_100013479686 [0,2,0,0,0,0|1,1,0]=4 457 B13R2.573 CSc1nccc2c1cnn2C 62a_200000210301_100015332818 [0,2,0,0,0,0|1,1,0]=4 458 B13R2.573 CSc1ncnc2c1ccn2C 62a_200000210301_100000076352 [0,2,0,0,0,0|1,1,0]=4 459 B13R2.573 CSc1ncnc2c1cnn2C 62a_200000210301_100000242733 [0,2,0,0,0,0|0,1,0]=3 460 B13R2.573 Cn1ccc2c1ncnc2S[13CH3] 62a_200025704644_100000076352 [0,2,0,0,0,0|1,1,0]=4 461 B13R2.573 Cn1ncc2c1cccc2O[13CH3] 34a_100009856027_200025704644 [0,2,0,0,0,0|2,0,0]=4 462 B13R2.573 Cn1ncc2c1ccnc2S[13CH3] 62a_200025704644_100015332818 [0,2,0,0,0,0|1,1,0]=4 463 B13R2.573 Cn1ncc2c1nccc2S[13CH3] 62a_100013479686_200025704644 [0,2,0,0,0,0|1,1,0]=4 464 B13R2.573 Cn1ncc2c1nccc2S[13CH3] 62a_200025704644_100013479686 [0,2,0,0,0,0|1,1,0]=4 465 B13R2.573 Cn1ncc2c1ncnc2S[13CH3] 62a_200025704644_100000242733 [0,2,0,0,0,0|0,1,0]=3 466 B13R2.3742 Cc1nc(c2cnn(c2n1)C)O 271570a_203496583355_100000743007 [0,2,0,0,0,0|0,0,0]=2 467 B13R2.3742 Cn1cnc2c1nc(nc2O)N 271570a_203496583355_100000708713 [0,2,0,0,0,0|2,0,0]=4 468 B13R2.3742 Cn1ncc2c1nc([nH]c2=O)O 271570a_203496583355_100000057953 [0,2,0,0,0,0|0,0,2]=4 469 B13R2.3742 Cn1ncc2c1nc(nc2O)N 271570a_203496583355_100000144275 [0,2,0,0,0,0|0,0,0]=2 470 B13R2.4857 Cn1cc(c2c1ncnc2N)O 271570a_203496583355_100010393490 [0,2,0,0,0,0|2,0,0]=4 471 B13R2.4857 Cn1nc(c2c1c(ncn2)O)O 271570a_203496583355_200102955134 [0,2,0,0,0,0|2,0,0]=4 472 B13R2.4857 Cn1nc(c2c1cccc2O)N 271570a_203496583355_100010211377 [0,2,0,0,0,0|2,0,0]=4 473 B13R2.4857 Cn1nc(c2c1ncnc2N)O 271570a_203496583355_100010724691 [0,2,0,0,0,0|1,0,0]=3 474 B13R2.5151 Cc1ccc(c2c1n(nc2)C)O 271570a_203496583355_100010255088 [0,2,0,0,0,0|2,0,0]=4 475 B13R2.5151 Nc1n[nH]c2c1c(ccc2F)O 271570a_203496583355_200010174369 [0,2,0,0,0,0|2,0,0]=4 476 B13R2.54 CCc1cc2c(ncnc2s1)O 271570a_203496583355_100000183878 [0,2,0,0,0,0|2,0,0]=4 477 B13R2.54 CNc1cc2c(ncnc2[nH]1)Cl 27a_100102657272_100010240015 [0,2,0,0,0,0|2,0,0]=4 478 B13R2.54 CSc1cc2c(ncnc2[nH]1)Cl 62a_200000210301_100010240015 [0,2,0,0,0,0|2,0,0]=4 479 B13R2.54 [13CH3]Sc1cc2c(ncnc2[nH]1)Cl 62a_200025704644_100010240015 [0,2,0,0,0,0|2,0,0]=4 480 B13R2.581 C=Cc1ncnc2c1cc([nH]2)C 271570a_100011290941_100009847220 [0,2,0,0,0,0|2,0,0]=4 481 B13R2.581 CNc1ncnc2c1cc([nH]2)C 27a_100102657272_100009847220 [0,2,0,0,0,0|2,0,0]=4 482 B13R2.581 CSc1ncnc2c1cc([nH]2)C 62a_200000210301_100009847220 [0,2,0,0,0,0|1,1,0]=4 483 B13R2.581 Cc1cc2c(ncnc2[nH]1)S[13CH3] 62a_200025704644_100009847220 [0,2,0,0,0,0|1,1,0]=4 484 B13R2.4856 Cc1[nH]c2nccc(c2c1C)O 271570a_203496583355_206744597382 [0,2,0,0,0,0|2,0,0]=4 485 B13R2.4856 Cc1sc2ncnc(c2c1C)O 271570a_203496583355_100000183246 [0,2,0,0,0,0|2,0,0]=4 486 B13R2.582 C=Cc1ncnc2c1c(c[nH]2)C 271570a_100011290941_100000092391 [0,2,0,0,0,0|2,0,0]=4 487 B13R2.582 CNc1ncnc2c1c(c[nH]2)C 27a_100102657272_100000092391 [0,2,0,0,0,0|2,0,0]=4 488 B13R2.582 CNc1ncnc2c1c(c[nH]2)F 27a_100102657272_100009880486 [0,2,0,0,0,0|2,0,0]=4 489 B13R2.582 COc1cccc2c1c(n[nH]2)O 271570a_203496583355_100010231497 [0,2,0,0,0,0|2,0,0]=4 490 B13R2.582 COc1ccnc2c1c(c[nH]2)O 271570a_203496583355_100010232044 [0,2,0,0,0,0|2,0,0]=4 491 B13R2.582 COc1nccc2c1c(c[nH]2)O 271570a_203496583355_100010206807 [0,2,0,0,0,0|2,0,0]=4 492 B13R2.582 CSc1ncnc2c1c(c[nH]2)C 62a_200000210301_100000092391 [0,2,0,0,0,0|1,1,0]=4 493 B13R2.582 CSc1ncnc2c1c(c[nH]2)F 62a_200000210301_100009880486 [0,2,0,0,0,0|1,1,0]=4 494 B13R2.582 Cc1c[nH]c2c1c(ncn2)S[13CH3] 62a_200025704644_100000092391 [0,2,0,0,0,0|1,1,0]=4 495 B13R2.582 [13CH3]Sc1ncnc2c1c(c[nH]2)F 62a_200025704644_100009880486 [0,2,0,0,0,0|1,1,0]=4 496 B13R2.2091 C=Cc1c[nH]c2c1c(ncc2)O 271570a_100011290941_100010168626 [0,2,0,0,0,0|2,0,0]=4 497 B13R2.2091 C=Cc1c[nH]c2c1c(ncn2)N 271570a_100011290941_100010179808 [0,2,0,0,0,0|2,0,0]=4 498 B13R2.2091 C=Cc1n[nH]c2c1c(=O)[nH]cn2 271570a_100011290941_100000751889 [0,2,0,0,0,0|0,0,2]=4 499 B13R2.2091 C=Cc1n[nH]c2c1c(ccn2)Cl 271570a_100011290941_100010090772 [0,2,0,0,0,0|2,0,0]=4 500 B13R2.2091 C=Cc1n[nH]c2c1c(ncc2)Br 271570a_100011290941_100010370910 [0,2,0,0,0,0|2,0,0]=4 501 B13R2.2091 C=Cc1n[nH]c2c1c(ncn2)N 271570a_100011290941_100000049786 [0,2,0,0,0,0|1,0,0]=3 502 B13R2.2091 CCc1c[nH]c2c1c(ncn2)O 271570a_203496583355_100009876448 [0,2,0,0,0,0|1,0,0]=3 503 B13R2.2091 CNc1n[nH]c2c1c(=O)[nH]cn2 27a_100102657272_100000751889 [0,2,0,0,0,0|0,0,2]=4 504 B13R2.2091 CNc1n[nH]c2c1c(ncn2)N 27a_100102657272_100010062276 [0,2,0,0,0,0|1,0,0]=3 505 B13R2.2091 CSc1c[nH]c2c1c(ncn2)Cl 62a_200000210301_100000062014 [0,2,0,0,0,0|2,0,0]=4 506 B13R2.2091 CSc1c[nH]c2c1c(ncn2)N 62a_100010179808_200000210301 [0,2,0,0,0,0|2,0,0]=4 507 B13R2.2091 CSc1c[nH]c2c1c(ncn2)N 62a_200000210301_100010179808 [0,2,0,0,0,0|2,0,0]=4 508 B13R2.2091 CSc1n[nH]c2c1c(=O)[nH]cn2 62a_200000210301_100000751889 [0,2,0,0,0,0|0,0,2]=4 509 B13R2.2091 CSc1n[nH]c2c1c(ccn2)Cl 62a_200000210301_100010090772 [0,2,0,0,0,0|2,0,0]=4 510 B13R2.2091 CSc1n[nH]c2c1c(ncc2)Br 62a_100010370910_200000210301 [0,2,0,0,0,0|2,0,0]=4 511 B13R2.2091 CSc1n[nH]c2c1c(ncc2)Br 62a_200000210301_100010370910 [0,2,0,0,0,0|2,0,0]=4 512 B13R2.2091 CSc1n[nH]c2c1c(ncc2)Cl 62a_200000210301_100010080173 [0,2,0,0,0,0|2,0,0]=4 513 B13R2.2091 CSc1n[nH]c2c1c(ncn2)Cl 62a_200000210301_100010241221 [0,2,0,0,0,0|1,0,0]=3 514 B13R2.2091 CSc1n[nH]c2c1c(ncn2)N 62a_100000049786_200000210301 [0,2,0,0,0,0|1,0,0]=3 515 B13R2.2091 CSc1n[nH]c2c1c(ncn2)N 62a_200000210301_100000049786 [0,2,0,0,0,0|1,0,0]=3 516 B13R2.2091 N#Cc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100102525082 [0,2,0,0,0,0|2,0,0]=4 517 B13R2.2091 N#Cc1c[nH]c2c1c(ncn2)O 271570a_203496583355_100009847449 [0,2,0,0,0,0|1,0,0]=3 518 B13R2.2091 N#Cc1n[nH]c2c1c(ccc2)O 271570a_203496583355_100010244415 [0,2,0,0,0,0|2,0,0]=4 519 B13R2.2091 O=Cc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100010212590 [0,2,0,0,0,0|2,0,0]=4 520 B13R2.2091 [13CH3]Sc1c[nH]c2c1c(ncn2)Cl 62a_200025704644_100000062014 [0,2,0,0,0,0|2,0,0]=4 521 B13R2.2091 [13CH3]Sc1c[nH]c2c1c(ncn2)N 62a_100010179808_200025704644 [0,2,0,0,0,0|2,0,0]=4 522 B13R2.2091 [13CH3]Sc1c[nH]c2c1c(ncn2)N 62a_200025704644_100010179808 [0,2,0,0,0,0|2,0,0]=4 523 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(=O)[nH]cn2 62a_200025704644_100000751889 [0,2,0,0,0,0|0,0,2]=4 524 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(ccn2)Cl 62a_200025704644_100010090772 [0,2,0,0,0,0|2,0,0]=4 525 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(ncc2)Br 62a_100010370910_200025704644 [0,2,0,0,0,0|2,0,0]=4 526 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(ncc2)Br 62a_200025704644_100010370910 [0,2,0,0,0,0|2,0,0]=4 527 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(ncc2)Cl 62a_200025704644_100010080173 [0,2,0,0,0,0|2,0,0]=4 528 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(ncn2)Cl 62a_200025704644_100010241221 [0,2,0,0,0,0|1,0,0]=3 529 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(ncn2)N 62a_100000049786_200025704644 [0,2,0,0,0,0|1,0,0]=3 530 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(ncn2)N 62a_200025704644_100000049786 [0,2,0,0,0,0|1,0,0]=3 531 B13R2.11642 Nc1nc(c2c(n[nH]c2n1)O)N 271570a_203496583355_100010293082 [0,2,0,0,0,0|1,0,0]=3 532 B13R2.611 COc1ccc(c2c1[nH]nc2)O 271570a_203496583355_100010090814 [0,2,0,0,0,0|2,0,0]=4 533 B13R2.611 COc1ccc(c2c1cn[nH]2)O 271570a_203496583355_100010370760 [0,2,0,0,0,0|2,0,0]=4 534 B13R2.611 COc1ncc(c2c1cc[nH]2)O 271570a_203496583355_100010272034 [0,2,0,0,0,0|2,0,0]=4 535 B13R2.623 C=Cc1cc(nc2c1cn[nH]2)F 271570a_100011290941_103551249018 [0,2,0,0,0,0|2,0,0]=4 536 B13R2.623 C=Cc1nc(nc2c1cc[nH]2)C 271570a_100011290941_100000092993 [0,2,0,0,0,0|2,0,0]=4 537 B13R2.623 C=Cc1nc(nc2c1cn[nH]2)C 271570a_100011290941_100000745003 [0,2,0,0,0,0|1,0,0]=3 538 B13R2.623 CNc1cc(nc2c1cn[nH]2)F 27a_100102657272_103551249018 [0,2,0,0,0,0|2,0,0]=4 539 B13R2.623 CNc1nc(nc2c1cc[nH]2)C 27a_100102657272_100000092993 [0,2,0,0,0,0|2,0,0]=4 540 B13R2.623 CNc1nc(nc2c1cn[nH]2)C 27a_100102657272_100000745003 [0,2,0,0,0,0|1,0,0]=3 541 B13R2.623 COc1cc(cc2c1cn[nH]2)O 271570a_203496583355_100010185973 [0,2,0,0,0,0|2,0,0]=4 542 B13R2.623 COc1nc(nc2c1cn[nH]2)O 271570a_203496583355_200013070299 [0,2,0,0,0,0|0,0,0]=2 543 B13R2.623 CSc1cc(nc2c1cn[nH]2)F 62a_103551249018_200000210301 [0,2,0,0,0,0|1,1,0]=4 544 B13R2.623 CSc1cc(nc2c1cn[nH]2)F 62a_200000210301_103551249018 [0,2,0,0,0,0|1,1,0]=4 545 B13R2.623 CSc1nc(nc2c1cc[nH]2)C 62a_200000210301_100000092993 [0,2,0,0,0,0|1,1,0]=4 546 B13R2.623 CSc1nc(nc2c1cn[nH]2)C 62a_100000745003_200000210301 [0,2,0,0,0,0|0,1,0]=3 547 B13R2.623 CSc1nc(nc2c1cn[nH]2)C 62a_200000210301_100000745003 [0,2,0,0,0,0|0,1,0]=3 548 B13R2.623 Cc1nc(c2cc[nH]c2n1)S[13CH3] 62a_200025704644_100000092993 [0,2,0,0,0,0|1,1,0]=4 549 B13R2.623 Cc1nc(c2cn[nH]c2n1)S[13CH3] 62a_100000745003_200025704644 [0,2,0,0,0,0|0,1,0]=3 550 B13R2.623 Cc1nc(c2cn[nH]c2n1)S[13CH3] 62a_200025704644_100000745003 [0,2,0,0,0,0|0,1,0]=3 551 B13R2.623 [13CH3]Sc1cc(nc2c1cn[nH]2)F 62a_103551249018_200025704644 [0,2,0,0,0,0|1,1,0]=4 552 B13R2.623 [13CH3]Sc1cc(nc2c1cn[nH]2)F 62a_200025704644_103551249018 [0,2,0,0,0,0|1,1,0]=4 553 B13R2.654 C=Cc1cc(c2cn[nH]c2c1)O 271570a_100011290941_100010185960 [0,2,0,0,0,0|2,0,0]=4 554 B13R2.654 C=Cc1nc(c2cn[nH]c2n1)N 271570a_100011290941_100000696086 [0,2,0,0,0,0|1,0,0]=3 555 B13R2.654 CCc1nc(c2ccsc2n1)O 271570a_203496583355_200000693752 [0,2,0,0,0,0|2,0,0]=4 556 B13R2.654 CNc1nc(c2cn[nH]c2n1)N 27a_100102657272_100000696086 [0,2,0,0,0,0|1,0,0]=3 557 B13R2.654 COc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010188275 [0,2,0,0,0,0|2,0,0]=4 558 B13R2.654 CSc1cc(c2cn[nH]c2c1)O 62a_200000210301_100010185960 [0,2,0,0,0,0|2,0,0]=4 559 B13R2.654 CSc1nc(c-2cnnc2[nH]1)O 271570a_203496583355_100015949195 [0,2,0,0,0,0|0,0,2]=4 560 B13R2.654 CSc1nc(c2cc[nH]c2n1)O 271570a_203496583355_100000090414 [0,2,0,0,0,0|1,0,0]=3 561 B13R2.654 CSc1nc(c2cn[nH]c2n1)N 62a_200000210301_100000696086 [0,2,0,0,0,0|1,0,0]=3 562 B13R2.654 N#Cc1cc(c2cc[nH]c2n1)O 271570a_203496583355_100009847305 [0,2,0,0,0,0|2,0,0]=4 563 B13R2.654 N#Cc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010195929 [0,2,0,0,0,0|2,0,0]=4 564 B13R2.654 [13CH3]Sc1cc(c2cn[nH]c2c1)O 62a_200025704644_100010185960 [0,2,0,0,0,0|2,0,0]=4 565 B13R2.654 [13CH3]Sc1nc(c2cn[nH]c2n1)N 62a_200025704644_100000696086 [0,2,0,0,0,0|1,0,0]=3 566 B13R2.292 C=C=Cc1ccnc2c1cn[nH]2 271570a_100015277604_100009819725 [0,2,0,0,0,0|2,0,0]=4 567 B13R2.292 C=C=Cc1nccc2c1cn[nH]2 271570a_100015277604_100102525074 [0,2,0,0,0,0|2,0,0]=4 568 B13R2.292 C=C=Cc1ncnc2c1cn[nH]2 271570a_100015277604_100000735611 [0,2,0,0,0,0|1,0,0]=3 569 B13R2.292 CC=Cc1ccnc2c1cn[nH]2 271570a_100016259895_100009819725 [0,2,0,0,0,0|2,0,0]=4 570 B13R2.292 CC=Cc1nccc2c1cn[nH]2 271570a_100016259895_100102525074 [0,2,0,0,0,0|2,0,0]=4 571 B13R2.292 CC=Cc1ncnc2c1cn[nH]2 271570a_100016259895_100000735611 [0,2,0,0,0,0|1,0,0]=3 572 B13R2.292 CCNc1ncnc2c1cn[nH]2 27a_100015525214_100000735611 [0,2,0,0,0,0|1,0,0]=3 573 B13R2.292 CCSc1ncnc2c1cn[nH]2 62a_100000210202_100000735611 [0,2,0,0,0,0|0,1,0]=3 574 B13R2.292 COCc1cccc2c1cn[nH]2 34a_100138415774_100020636439 [0,2,0,0,0,0|2,0,0]=4 575 B13R2.292 FCSc1ncnc2c1cn[nH]2 62a_100015361967_100000735611 [0,2,0,0,0,0|0,1,0]=3 576 B13R2.5569 C=C(C)c1ccnc2c1cn[nH]2 271570a_100000694244_100009819725 [0,2,0,0,0,0|2,0,0]=4 577 B13R2.5569 C=C(C)c1nccc2c1cn[nH]2 271570a_100000694244_100102525074 [0,2,0,0,0,0|2,0,0]=4 578 B13R2.5569 C=C(C)c1ncnc2c1cn[nH]2 271570a_100000694244_100000735611 [0,2,0,0,0,0|1,0,0]=3 579 B13R2.5569 CN(C)c1ncnc2c1cn[nH]2 27a_100102631434_100000735611 [0,2,0,0,0,0|1,0,0]=3 580 B11R2.2 c1c[nH]c(n1)c2cn[nH]c2 271570a_100000041997_100025796157 [0,0,1,1,0,0|2,0,0]=4 581 B11R2.2 c1c[nH]c(n1)c2cn[nH]c2 271570a_100016988920_100000238712 [0,0,1,1,0,0|2,0,0]=4 582 B11R2.2 c1coc(c1)c2cn[nH]c2 271570a_100000041997_100009814098 [0,0,1,1,0,0|2,0,0]=4 583 B11R2.2 c1coc(c1)c2cn[nH]c2 271570a_100000750936_100000238712 [0,0,1,1,0,0|2,0,0]=4 584 B11R2.2 c1coc(n1)c2cc[nH]c2 271570a_100000102155_100011787736 [0,0,1,1,0,0|2,0,0]=4 585 B11R2.2 c1coc(n1)c2cn[nH]c2 271570a_100000041997_100011787736 [0,0,1,1,0,0|1,0,0]=3 586 B11R2.2 c1csc(n1)c2cn[nH]c2 271570a_100000041997_100000211983 [0,0,1,1,0,0|1,1,0]=4 587 B11R2.2 c1nc(c[nH]1)c2cn[nH]c2 271570a_100000041997_100000756875 [0,0,1,1,0,0|1,0,1]=4 588 B11R2.2 c1nc(cs1)c2cn[nH]c2 271570a_100000041997_100000751502 [0,0,1,1,0,0|2,0,0]=4 589 B11R2.2 c1nc(n[nH]1)c2cn[nH]c2 271570a_100000041997_100000761765 [0,0,1,1,0,0|1,0,1]=4 590 B11R2.2 c1ncc(o1)c2cn[nH]c2 271570a_100000041997_100020591547 [0,0,1,1,0,0|2,0,0]=4 591 B11R2.2 c1ncc(s1)c2cn[nH]c2 271570a_100000041997_100011934649 [0,0,1,1,0,0|2,0,0]=4 592 B11R2.2 c1ncc(s1)c2cn[nH]c2 271570a_100010231675_100000238712 [0,0,1,1,0,0|2,0,0]=4 593 B11R2.2 c1nnc(s1)c2cn[nH]c2 271570a_100000041997_100000739804 [0,0,1,1,0,0|2,0,0]=4 594 B11R2.2 c1nsc(n1)c2cc[nH]c2 271570a_100000102155_100000693119 [0,0,1,1,0,0|1,1,0]=4 595 B11R2.2 c1nsc(n1)c2cn[nH]c2 271570a_100000041997_100000693119 [0,0,1,1,0,0|0,1,0]=3