0 B11R2.106 Oc1cccc2c1cc[nH]2 271570a_203496583355_100000685724 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.106 Oc1cccc2c1cn[nH]2 271570a_203496583355_100000753301 [0,0,0,0,0,0|2,0,2]=4 2 B11R2.106 Oc1ccnc2c1cc[nH]2 271570a_203496583355_100000049914 [0,0,0,0,0,0|2,0,1]=3 3 B11R2.106 Oc1ccnc2c1ccs2 271570a_203496583355_100009861243 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.106 Oc1ccnc2c1cn[nH]2 271570a_203496583355_100009819725 [0,0,0,0,0,0|1,0,2]=3 5 B11R2.106 Oc1ccnc2c1nc[nH]2 271570a_203496583355_100009820729 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.106 Oc1ccnc2c1nn[nH]2 271570a_203496583355_100009853804 [0,0,0,0,0,0|2,0,2]=4 7 B11R2.106 Oc1nc[nH]c-2nccc12 271570a_203496583355_100015350423 [0,0,0,0,0,0|1,0,3]=4 8 B11R2.106 Oc1nccc2c1CCN2 271570a_203496583355_100000104060 [0,0,0,0,0,0|2,0,2]=4 9 B11R2.106 Oc1nccc2c1cc[nH]2 271570a_203496583355_100000086534 [0,0,0,0,0,0|2,0,1]=3 10 B11R2.106 Oc1nccc2c1cco2 271570a_203496583355_100000041166 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.106 Oc1nccc2c1ccs2 271570a_203496583355_100000047778 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.106 Oc1nccc2c1cn[nH]2 271570a_203496583355_100102525074 [0,0,0,0,0,0|1,0,2]=3 13 B11R2.106 Oc1nccc2c1nc[nH]2 271570a_203496583355_100009820035 [0,0,0,0,0,0|3,0,1]=4 14 B11R2.106 Oc1ncnc2c1CCC2 271570a_203496583355_100000750143 [0,0,0,0,0,0|2,0,2]=4 15 B11R2.106 Oc1ncnc2c1CCN2 271570a_203496583355_200000104052 [0,0,0,0,0,0|1,0,2]=3 16 B11R2.106 Oc1ncnc2c1[nH]cc2 271570a_203496583355_100000084117 [0,0,0,0,0,0|3,0,1]=4 17 B11R2.106 Oc1ncnc2c1cco2 271570a_203496583355_100000094286 [0,0,0,0,0,0|2,0,1]=3 18 B11R2.106 Oc1ncnc2c1ccs2 271570a_203496583355_100000183654 [0,0,0,0,0,0|2,0,1]=3 19 B11R2.106 Oc1ncnc2c1cn[nH]2 271570a_203496583355_100000735611 [0,0,0,0,0,0|0,0,2]=2 20 B11R2.106 Oc1ncnc2c1ncs2 271570a_203496583355_100009860286 [0,0,0,0,0,0|3,0,1]=4 21 B11R2.106 Oc1ncnc2c1scc2 271570a_203496583355_100000234879 [0,0,0,0,0,0|3,0,1]=4 22 B11R2.106 Oc1ncnn2c1ccc2 271570a_203496583355_100000104113 [0,0,0,0,0,0|3,0,1]=4 23 B12R2.82 Cc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010254266 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.82 Cc1cnc2[nH]ccc2c1O 271570a_203496583355_100000097406 [0,1,0,0,0,0|2,0,1]=4 25 B12R2.82 Nc1c(cnc2c1cc[nH]2)O 271570a_203496583355_100010168494 [0,1,0,0,0,0|3,0,0]=4 26 B12R2.82 Oc1c(cnc2c1cc[nH]2)F 271570a_203496583355_100000118126 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.82 Oc1cnc2[nH]ccc2c1Cl 271570a_203496583355_100010219237 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.82 Oc1cnc2[nH]ccc2c1F 271570a_203496583355_100011012301 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.196 Cn1ccc2c1ccnc2O 271570a_203496583355_100000048735 [0,1,0,0,0,0|2,0,1]=4 30 B12R2.196 Cn1ccc2c1nccc2O 271570a_203496583355_100010168893 [0,1,0,0,0,0|2,0,1]=4 31 B12R2.196 Cn1ccc2c1ncnc2O 271570a_203496583355_100000076352 [0,1,0,0,0,0|1,0,1]=3 32 B12R2.196 Cn1cnc2c1ncnc2O 271570a_203496583355_100000058137 [0,1,0,0,0,0|2,0,1]=4 33 B12R2.196 Cn1ncc2c1ccnc2O 271570a_203496583355_100015332818 [0,1,0,0,0,0|1,0,2]=4 34 B12R2.196 Cn1ncc2c1nccc2O 271570a_203496583355_100013479686 [0,1,0,0,0,0|1,0,2]=4 35 B12R2.196 Cn1ncc2c1ncnc2O 271570a_203496583355_100000242733 [0,1,0,0,0,0|0,0,2]=3 36 B12R2.202 Cc1cc2c(ccnc2[nH]1)O 271570a_203496583355_100010202352 [0,1,0,0,0,0|2,0,1]=4 37 B12R2.202 Cc1cc2c(ncnc2[nH]1)O 271570a_203496583355_100009847220 [0,1,0,0,0,0|1,0,1]=3 38 B12R2.202 Cc1cc2c(ncnc2s1)O 271570a_203496583355_100000753035 [0,1,0,0,0,0|2,0,1]=4 39 B12R2.202 O=c1[nH]cnc2c1cc(s2)O 271570a_203496583355_100010062239 [0,1,0,0,0,0|2,0,1]=4 40 B12R2.202 Oc1cc2c(ccnc2[nH]1)Cl 271570a_203496583355_100010234028 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.203 Cc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100009849662 [0,1,0,0,0,0|2,0,1]=4 42 B12R2.203 Cc1c[nH]c2c1c(ncn2)O 271570a_203496583355_100000092391 [0,1,0,0,0,0|1,0,1]=3 43 B12R2.203 Cc1csc2c1c(ncn2)O 271570a_203496583355_100000040732 [0,1,0,0,0,0|2,0,1]=4 44 B12R2.203 Nc1c[nH]c2c1c(ccn2)O 271570a_203496583355_100010212589 [0,1,0,0,0,0|2,0,1]=4 45 B12R2.203 Nc1ncnc2c1c(c[nH]2)O 271570a_203496583355_100010179808 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.203 Nc1ncnc2c1c(n[nH]2)O 271570a_203496583355_100000049786 [0,1,0,0,0,0|1,0,1]=3 47 B12R2.203 O=c1[nH][nH]c2c1c(ccc2)O 271570a_203496583355_100010170957 [0,1,0,0,0,0|2,0,1]=4 48 B12R2.203 O=c1[nH]cnc2c1c(c[nH]2)O 271570a_203496583355_100010220714 [0,1,0,0,0,0|1,0,1]=3 49 B12R2.203 O=c1[nH]cnc2c1c(n[nH]2)O 271570a_203496583355_100000751889 [0,1,0,0,0,0|0,0,2]=3 50 B12R2.203 O=c1nc[nH]c2c1c(cs2)O 271570a_203496583355_200010749469 [0,1,0,0,0,0|2,0,1]=4 51 B12R2.203 Oc1c[nH]c2c1c(ccn2)Br 271570a_203496583355_100010212587 [0,1,0,0,0,0|3,0,0]=4 52 B12R2.203 Oc1c[nH]c2c1c(ccn2)F 271570a_203496583355_100010168365 [0,1,0,0,0,0|3,0,0]=4 53 B12R2.203 Oc1c[nH]c2c1c(ncc2)O 271570a_203496583355_100010168626 [0,1,0,0,0,0|2,0,1]=4 54 B12R2.203 Oc1n[nH]c2c1c(ccn2)Cl 271570a_203496583355_100010090772 [0,1,0,0,0,0|2,0,1]=4 55 B12R2.203 Oc1n[nH]c2c1c(ncc2)Br 271570a_203496583355_100010370910 [0,1,0,0,0,0|2,0,1]=4 56 B12R2.221 Cc1cnc(c2c1[nH]cc2)O 271570a_203496583355_100010244391 [0,1,0,0,0,0|2,0,1]=4 57 B12R2.221 Cc1ncc(c2c1cc[nH]2)O 271570a_203496583355_100010244396 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.246 Cc1cc(c2cc[nH]c2n1)O 271570a_203496583355_100000095047 [0,1,0,0,0,0|2,0,1]=4 59 B12R2.246 Cc1nc(c2cc[nH]c2n1)O 271570a_203496583355_100000092993 [0,1,0,0,0,0|1,0,1]=3 60 B12R2.246 Cc1nc(c2ccsc2n1)O 271570a_203496583355_100000183124 [0,1,0,0,0,0|2,0,1]=4 61 B12R2.246 Cc1nc(c2cn[nH]c2n1)O 271570a_203496583355_100000745003 [0,1,0,0,0,0|0,0,2]=3 62 B12R2.246 Nc1cc(c2cc[nH]c2n1)O 271570a_203496583355_100009864914 [0,1,0,0,0,0|2,0,1]=4 63 B12R2.246 Nc1nc(c2nc[nH]c2n1)O 271570a_203496583355_200000049598 [0,1,0,0,0,0|2,0,1]=4 64 B12R2.246 Nc1nc(nc2c1cn[nH]2)O 271570a_203496583355_100000696086 [0,1,0,0,0,0|1,0,1]=3 65 B12R2.246 O=c1cc(nc2n1cc[nH]2)O 271570a_203496583355_100009861764 [0,1,0,0,0,0|3,0,0]=4 66 B12R2.246 Oc1cc(nc2c1cn[nH]2)F 271570a_203496583355_103551249018 [0,1,0,0,0,0|1,0,2]=4 67 B12R2.315 C=Cc1ccnc2c1cc[nH]2 271570a_100011290941_100000049914 [0,1,0,0,0,0|3,0,0]=4 68 B12R2.315 C=Cc1ccnc2c1cn[nH]2 271570a_100011290941_100009819725 [0,1,0,0,0,0|2,0,1]=4 69 B12R2.315 C=Cc1nccc2c1cc[nH]2 271570a_100011290941_100000086534 [0,1,0,0,0,0|3,0,0]=4 70 B12R2.315 C=Cc1nccc2c1cn[nH]2 271570a_100011290941_100102525074 [0,1,0,0,0,0|2,0,1]=4 71 B12R2.315 C=Cc1ncnc2c1CCN2 271570a_100011290941_200000104052 [0,1,0,0,0,0|2,0,1]=4 72 B12R2.315 C=Cc1ncnc2c1cco2 271570a_100011290941_100000094286 [0,1,0,0,0,0|3,0,0]=4 73 B12R2.315 C=Cc1ncnc2c1ccs2 271570a_100011290941_100000183654 [0,1,0,0,0,0|3,0,0]=4 74 B12R2.315 C=Cc1ncnc2c1cn[nH]2 271570a_100011290941_100000735611 [0,1,0,0,0,0|1,0,1]=3 75 B12R2.315 CNc1nccc2c1c[nH]n2 27a_100102657272_100020876377 [0,1,0,0,0,0|2,0,1]=4 76 B12R2.315 CNc1ncnc2c1CCN2 27a_100102657272_200000104052 [0,1,0,0,0,0|2,0,1]=4 77 B12R2.315 CNc1ncnc2c1cco2 27a_100102657272_100000094286 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.315 CNc1ncnc2c1ccs2 27a_100102657272_100000183654 [0,1,0,0,0,0|3,0,0]=4 79 B12R2.315 CNc1ncnc2c1cn[nH]2 27a_100102657272_100000735611 [0,1,0,0,0,0|1,0,1]=3 80 B12R2.315 CSc1ccnc2c1cc[nH]2 62a_200000210301_100000766882 [0,1,0,0,0,0|2,1,0]=4 81 B12R2.315 CSc1nccc2c1c[nH]n2 62a_200000210301_100020876377 [0,1,0,0,0,0|1,1,1]=4 82 B12R2.315 CSc1nccc2c1cc[nH]2 62a_200000210301_100000086534 [0,1,0,0,0,0|2,1,0]=4 83 B12R2.315 CSc1ncnc2c1CCN2 62a_200000104052_200000210301 [0,1,0,0,0,0|1,1,1]=4 84 B12R2.315 CSc1ncnc2c1CCN2 62a_200000210301_200000104052 [0,1,0,0,0,0|1,1,1]=4 85 B12R2.315 CSc1ncnc2c1cco2 62a_200000210301_100000094286 [0,1,0,0,0,0|2,1,0]=4 86 B12R2.315 CSc1ncnc2c1ccs2 62a_200000210301_100000183654 [0,1,0,0,0,0|2,1,0]=4 87 B12R2.315 CSc1ncnc2c1cn[nH]2 62a_200000210301_100000735611 [0,1,0,0,0,0|0,1,1]=3 88 B12R2.315 [13CH3]Sc1ccnc2c1cc[nH]2 62a_200025704644_100000766882 [0,1,0,0,0,0|2,1,0]=4 89 B12R2.315 [13CH3]Sc1nccc2c1c[nH]n2 62a_200025704644_100020876377 [0,1,0,0,0,0|1,1,1]=4 90 B12R2.315 [13CH3]Sc1nccc2c1cc[nH]2 62a_200025704644_100000086534 [0,1,0,0,0,0|2,1,0]=4 91 B12R2.315 [13CH3]Sc1ncnc2c1CCN2 62a_200000104052_200025704644 [0,1,0,0,0,0|1,1,1]=4 92 B12R2.315 [13CH3]Sc1ncnc2c1CCN2 62a_200025704644_200000104052 [0,1,0,0,0,0|1,1,1]=4 93 B12R2.315 [13CH3]Sc1ncnc2c1cco2 62a_200025704644_100000094286 [0,1,0,0,0,0|2,1,0]=4 94 B12R2.315 [13CH3]Sc1ncnc2c1ccs2 62a_200025704644_100000183654 [0,1,0,0,0,0|2,1,0]=4 95 B12R2.315 [13CH3]Sc1ncnc2c1cn[nH]2 62a_200025704644_100000735611 [0,1,0,0,0,0|0,1,1]=3 96 B10R1.2 CNc1ncnc(c1C)C 27a_100102657272_100011438038 [0,0,1,0,0,0|2,0,1]=4 97 B10R1.2 CNc1ncnc(c1C)N 27a_100102657272_100011913465 [0,0,1,0,0,0|2,0,1]=4 98 B10R1.2 CNc1ncnc(c1C)O 271570a_203496583355_200011913118 [0,0,1,0,0,0|1,0,2]=4 99 B10R1.2 CNc1ncnc(c1C)O 27a_100102657272_100011912821 [0,0,1,0,0,0|1,0,2]=4 100 B10R1.2 CNc1ncnc(c1F)C 27a_100102657272_100011671633 [0,0,1,0,0,0|3,0,0]=4 101 B10R1.2 CNc1ncnc(c1F)N 27a_100102657272_100000126652 [0,0,1,0,0,0|3,0,0]=4 102 B10R1.2 CNc1ncnc(c1N)O 271570a_203496583355_100011794930 [0,0,1,0,0,0|2,0,1]=4 103 B10R1.4 C=C=Cc1cncnc1Br 271570a_100015277604_200012461658 [0,0,1,0,0,0|3,0,0]=4 104 B10R1.4 C=C=Cc1cncnc1C 271570a_100015277604_100009819671 [0,0,1,0,0,0|3,0,0]=4 105 B10R1.4 C=C=Cc1cncnc1Cl 271570a_100015277604_100000758962 [0,0,1,0,0,0|3,0,0]=4 106 B10R1.4 C=C=Cc1cncnc1N 271570a_100015277604_100011996079 [0,0,1,0,0,0|3,0,0]=4 107 B10R1.4 C=C=Cc1cncnc1O 271570a_100015277604_100000751107 [0,0,1,0,0,0|2,0,1]=4 108 B10R1.4 CC=Cc1cncnc1Br 271570a_100016259895_200012461658 [0,0,1,0,0,0|3,0,0]=4 109 B10R1.4 CC=Cc1cncnc1C 271570a_100016259895_100009819671 [0,0,1,0,0,0|3,0,0]=4 110 B10R1.4 CC=Cc1cncnc1Cl 271570a_100016259895_100000758962 [0,0,1,0,0,0|3,0,0]=4 111 B10R1.4 CC=Cc1cncnc1N 271570a_100016259895_100011996079 [0,0,1,0,0,0|3,0,0]=4 112 B10R1.4 CC=Cc1cncnc1O 271570a_100016259895_100000751107 [0,0,1,0,0,0|2,0,1]=4 113 B10R1.10 C=C=Cc1cc(ncn1)C 271570a_100015277604_100000744208 [0,0,1,0,0,0|3,0,0]=4 114 B10R1.10 C=C=Cc1cc(ncn1)F 271570a_100015277604_200009880791 [0,0,1,0,0,0|3,0,0]=4 115 B10R1.10 C=C=Cc1cc(ncn1)N 271570a_100015277604_100000701291 [0,0,1,0,0,0|3,0,0]=4 116 B10R1.10 C=C=Cc1cc(ncn1)O 271570a_100015277604_100000765262 [0,0,1,0,0,0|2,0,1]=4 117 B10R1.10 CCNc1cc(ncn1)C 27a_100015525214_100000744208 [0,0,1,0,0,0|2,0,1]=4 118 B10R1.10 CCNc1cc(ncn1)F 27a_100015525214_200009880791 [0,0,1,0,0,0|2,0,1]=4 119 B10R1.10 CCNc1cc(ncn1)N 27a_100015525214_100000701291 [0,0,1,0,0,0|2,0,1]=4 120 B10R1.10 CCNc1cc(ncn1)O 271570a_203496583355_200000242512 [0,0,1,0,0,0|1,0,2]=4 121 B10R1.10 CCNc1cc(ncn1)O 27a_100015525214_100000765262 [0,0,1,0,0,0|1,0,2]=4 122 B10R1.245 C=Cc1c(ccnc1C)N 271570a_100011290941_100010243816 [0,0,1,0,0,0|3,0,0]=4 123 B10R1.245 C=Cc1c(ccnc1F)N 271570a_100011290941_100010381272 [0,0,1,0,0,0|3,0,0]=4 124 B10R1.245 C=Cc1c(ccnc1N)C 271570a_100011290941_100011998619 [0,0,1,0,0,0|3,0,0]=4 125 B10R1.245 C=Cc1c(ccnc1N)Cl 271570a_100011290941_100010199028 [0,0,1,0,0,0|3,0,0]=4 126 B10R1.245 C=Cc1c(nc[nH]c1=O)C 271570a_100011290941_100011356812 [0,0,1,0,0,0|2,0,1]=4 127 B10R1.245 C=Cc1c(ncnc1C)C 271570a_100011290941_100009820708 [0,0,1,0,0,0|3,0,0]=4 128 B10R1.245 C=Cc1c(ncnc1F)F 271570a_100011290941_100009816962 [0,0,1,0,0,0|3,0,0]=4 129 B10R1.245 C=Cc1c(ncnc1N)C 271570a_100011290941_100011996190 [0,0,1,0,0,0|2,0,0]=3 130 B10R1.245 C=Cc1c(ncnc1N)N 271570a_100011290941_100010128106 [0,0,1,0,0,0|2,0,0]=3 131 B10R1.245 COc1c(ncnc1Cl)N 34a_100000124137_200000210301 [0,0,1,0,0,0|3,0,0]=4 132 B10R1.245 COc1c(ncnc1Cl)N 7a_100000124137_200000210301 [0,0,1,0,0,0|3,0,0]=4 133 B10R1.245 COc1c(ncnc1O)N 271570a_203496583355_100011998528 [0,0,1,0,0,0|2,0,1]=4 134 B10R1.245 CSc1c(nc[nH]c1=O)N 62a_200000210301_200011345422 [0,0,1,0,0,0|2,0,1]=4 135 B10R1.245 CSc1c(nc[nH]c1=O)N 62a_200011345422_200000210301 [0,0,1,0,0,0|2,0,1]=4 136 B10R1.245 CSc1c(ncnc1Cl)N 62a_100010371481_200000210301 [0,0,1,0,0,0|3,0,0]=4 137 B10R1.245 CSc1c(ncnc1Cl)N 62a_200000210301_100010371481 [0,0,1,0,0,0|3,0,0]=4 138 B10R1.245 CSc1c(ncnc1N)C 62a_100011996190_200000210301 [0,0,1,0,0,0|3,0,0]=4 139 B10R1.245 CSc1c(ncnc1N)C 62a_200000210301_100011996190 [0,0,1,0,0,0|3,0,0]=4 140 B10R1.245 CSc1c(ncnc1N)N 62a_100010128106_200000210301 [0,0,1,0,0,0|3,0,0]=4 141 B10R1.245 CSc1c(ncnc1N)N 62a_200000210301_100010128106 [0,0,1,0,0,0|3,0,0]=4 142 B10R1.245 Cc1ncnc(c1S[13CH3])N 62a_100011996190_200025704644 [0,0,1,0,0,0|3,0,0]=4 143 B10R1.245 Cc1ncnc(c1S[13CH3])N 62a_200025704644_100011996190 [0,0,1,0,0,0|3,0,0]=4 144 B10R1.245 N#Cc1c(ncnc1O)N 271570a_203496583355_100000086035 [0,0,1,0,0,0|0,0,3]=4 145 B10R1.245 Nc1nccc(c1C=O)O 271570a_203496583355_100009843235 [0,0,1,0,0,0|2,0,1]=4 146 B10R1.245 Nc1ncnc(c1C=O)O 271570a_203496583355_100000765549 [0,0,1,0,0,0|1,0,1]=3 147 B10R1.245 [13CH3]Oc1c(ncnc1Cl)N 34a_100000124137_200025704644 [0,0,1,0,0,0|3,0,0]=4 148 B10R1.245 [13CH3]Oc1c(ncnc1Cl)N 7a_100000124137_200025704644 [0,0,1,0,0,0|3,0,0]=4 149 B10R1.245 [13CH3]Sc1c(nc[nH]c1=O)N 62a_200011345422_200025704644 [0,0,1,0,0,0|2,0,1]=4 150 B10R1.245 [13CH3]Sc1c(nc[nH]c1=O)N 62a_200025704644_200011345422 [0,0,1,0,0,0|2,0,1]=4 151 B10R1.245 [13CH3]Sc1c(ncnc1Cl)N 62a_100010371481_200025704644 [0,0,1,0,0,0|3,0,0]=4 152 B10R1.245 [13CH3]Sc1c(ncnc1Cl)N 62a_200025704644_100010371481 [0,0,1,0,0,0|3,0,0]=4 153 B10R1.245 [13CH3]Sc1c(ncnc1N)N 62a_100010128106_200025704644 [0,0,1,0,0,0|3,0,0]=4 154 B10R1.245 [13CH3]Sc1c(ncnc1N)N 62a_200025704644_100010128106 [0,0,1,0,0,0|3,0,0]=4 155 B12R2.1081 Oc1ncnc2c1cccc2 271570a_203496583355_100000217608 [0,0,0,0,0,1|2,0,1]=4 156 B12R2.1081 Oc1ncnc2c1cccn2 271570a_203496583355_100000026734 [0,0,0,0,0,1|1,0,2]=4 157 B12R2.1081 Oc1ncnc2c1ccnc2 271570a_203496583355_100000098430 [0,0,0,0,0,1|1,0,2]=4 158 B9R1.2 C=Cc1cc(ncn1)C 271570a_100011290941_100000744208 [1,0,1,0,0,0|2,0,0]=4 159 B9R1.2 C=Cc1cc(ncn1)F 271570a_100011290941_200009880791 [1,0,1,0,0,0|2,0,0]=4 160 B9R1.2 C=Cc1cc(ncn1)N 271570a_100011290941_100000701291 [1,0,1,0,0,0|2,0,0]=4 161 B9R1.2 C=Cc1cc(ncn1)O 271570a_100011290941_100000765262 [1,0,1,0,0,0|1,0,1]=4 162 B9R1.2 CNc1cc(ncn1)C 27a_100102657272_100000744208 [1,0,1,0,0,0|1,0,1]=4 163 B9R1.2 CNc1cc(ncn1)F 27a_100102657272_200009880791 [1,0,1,0,0,0|1,0,1]=4 164 B9R1.2 CNc1cc(ncn1)N 27a_100102657272_100000701291 [1,0,1,0,0,0|1,0,1]=4 165 B9R1.2 CNc1cc(ncn1)O 271570a_203496583355_100000756605 [1,0,1,0,0,0|0,0,2]=4 166 B9R1.2 CNc1cc(ncn1)O 27a_100102657272_100000765262 [1,0,1,0,0,0|0,0,2]=4 167 B9R1.2 NNc1cc(ccn1)O 271570a_203496583355_100000764631 [1,0,1,0,0,0|1,0,1]=4 168 B9R1.2 NNc1cc(ncn1)O 271570a_203496583355_100000242035 [1,0,1,0,0,0|0,0,1]=3 169 B9R1.3 Cc1c(ncnc1O)N 271570a_203496583355_100011913465 [1,0,1,0,0,0|0,0,2]=4 170 B9R1.3 Cc1ncnc(c1O)N 271570a_203496583355_100011996190 [1,0,1,0,0,0|2,0,0]=4 171 B9R1.3 Nc1c(ncnc1O)O 271570a_203496583355_100011795086 [1,0,1,0,0,0|1,0,1]=4 172 B9R1.3 Nc1ccnc(c1N)O 271570a_203496583355_100000085203 [1,0,1,0,0,0|1,0,1]=4 173 B9R1.3 Nc1nccc(c1N)O 271570a_203496583355_100000124095 [1,0,1,0,0,0|1,0,1]=4 174 B9R1.3 Nc1ncnc(c1F)O 271570a_203496583355_100000126652 [1,0,1,0,0,0|1,0,1]=4 175 B9R1.3 Nc1ncnc(c1N)O 271570a_203496583355_100000766367 [1,0,1,0,0,0|0,0,1]=3 176 B9R1.3 Nc1ncnc(c1O)N 271570a_203496583355_100010128106 [1,0,1,0,0,0|2,0,0]=4 177 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [1,0,1,0,0,0|2,0,0]=4 178 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [1,0,1,0,0,0|2,0,0]=4 179 B9R1.15 C=Cc1cncnc1Br 271570a_100011290941_200012461658 [1,0,1,0,0,0|2,0,0]=4 180 B9R1.15 C=Cc1cncnc1C 271570a_100011290941_100009819671 [1,0,1,0,0,0|2,0,0]=4 181 B9R1.15 C=Cc1cncnc1Cl 271570a_100011290941_100000758962 [1,0,1,0,0,0|2,0,0]=4 182 B9R1.15 C=Cc1cncnc1N 271570a_100011290941_100011996079 [1,0,1,0,0,0|1,0,0]=3 183 B9R1.15 C=Cc1cncnc1O 271570a_100011290941_100000751107 [1,0,1,0,0,0|1,0,1]=4 184 B9R1.15 CNc1ncncc1C 27a_100102657272_100011998708 [1,0,1,0,0,0|1,0,1]=4 185 B9R1.15 CNc1ncncc1F 27a_100102657272_100000069762 [1,0,1,0,0,0|2,0,0]=4 186 B9R1.15 CNc1ncncc1N 27a_100102657272_100000709731 [1,0,1,0,0,0|2,0,0]=4 187 B9R1.15 CNc1ncncc1O 271570a_203496583355_200012180720 [1,0,1,0,0,0|2,0,0]=4 188 B9R1.15 COc1cncnc1N 7a_100000112926_200000210301 [1,0,1,0,0,0|2,0,0]=4 189 B9R1.15 CSc1cncnc1N 62a_100011996079_200000210301 [1,0,1,0,0,0|2,0,0]=4 190 B9R1.15 CSc1cncnc1N 62a_200000210301_100011996079 [1,0,1,0,0,0|2,0,0]=4 191 B9R1.15 NNc1ccncc1O 271570a_203496583355_100013404636 [1,0,1,0,0,0|2,0,0]=4 192 B9R1.15 NNc1ncccc1O 271570a_203496583355_100011464834 [1,0,1,0,0,0|2,0,0]=4 193 B9R1.15 [13CH3]Oc1cncnc1N 7a_100000112926_200025704644 [1,0,1,0,0,0|2,0,0]=4 194 B9R1.15 [13CH3]Sc1cncnc1N 62a_100011996079_200025704644 [1,0,1,0,0,0|2,0,0]=4 195 B9R1.15 [13CH3]Sc1cncnc1N 62a_200025704644_100011996079 [1,0,1,0,0,0|2,0,0]=4 196 B9R1.8 C=C=Cc1ccncn1 271570a_100015277604_100000703185 [1,0,1,0,0,0|2,0,0]=4 197 B9R1.8 C=C=Cc1cncnc1 271570a_100015277604_100011206942 [1,0,1,0,0,0|2,0,0]=4 198 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [1,0,1,0,0,0|2,0,0]=4 199 B9R1.8 CCNc1ccncn1 27a_100015525214_100000703185 [1,0,1,0,0,0|1,0,1]=4 200 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [1,0,1,0,0,0|1,0,1]=4 201 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [1,0,1,0,0,0|1,0,1]=4 202 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [1,0,1,0,0,0|1,0,1]=4 203 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [1,0,1,0,0,0|1,0,1]=4 204 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [1,0,1,0,0,0|1,0,1]=4 205 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [1,0,1,0,0,0|1,0,1]=4 206 B11R1.265 CNc1ncnc(c1C=O)O 271570a_203496583355_200012279091 [0,1,1,0,0,0|1,0,1]=4 207 B11R1.24 C=CCNc1cc(ncn1)C 27a_100020586998_100000744208 [0,1,1,0,0,0|2,0,0]=4 208 B11R1.24 C=CCNc1cc(ncn1)F 27a_100020586998_200009880791 [0,1,1,0,0,0|2,0,0]=4 209 B11R1.24 C=CCNc1cc(ncn1)N 27a_100020586998_100000701291 [0,1,1,0,0,0|2,0,0]=4 210 B11R1.24 C=CCNc1cc(ncn1)O 27a_100020586998_100000765262 [0,1,1,0,0,0|1,0,1]=4 211 B11R1.24 CC=NNc1cc(=O)[nH]cn1 4a_100000182047_200000210099 [0,1,1,0,0,0|0,0,2]=4 212 B11R1.29 CC=NNC(=O)c1cn[nH]c1 4a_100011317056_200000210099 [0,1,1,0,0,0|1,0,1]=4 213 B11R1.156 C=C(C)c1c(ncnc1N)C 271570a_100000694244_100011996190 [0,1,1,0,0,0|2,0,0]=4 214 B11R1.156 C=C(C)c1c(ncnc1N)N 271570a_100000694244_100010128106 [0,1,1,0,0,0|2,0,0]=4 215 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,1,0,0,0,0|2,0,0]=4 216 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,1,0,0,0,0|2,0,0]=4 217 B11R2.1 Oc1c[nH]c2c1cncn2 271570a_203496583355_100009817560 [1,1,0,0,0,0|1,0,0]=3 218 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [1,1,0,0,0,0|1,0,1]=4 219 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [1,1,0,0,0,0|1,0,1]=4 220 B11R2.1 Oc1n[nH]c2c1cncn2 271570a_203496583355_100009875510 [1,1,0,0,0,0|0,0,1]=3 221 B11R2.10 CN1Cc2cncnc2C1 269982a_100015200256_200000210301 [1,1,0,0,0,0|1,0,1]=4 222 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,1,0,0,0,0|2,0,0]=4 223 B11R2.10 [13CH3]N1Cc2cncnc2C1 269982a_100015200256_200025704644 [1,1,0,0,0,0|1,0,1]=4 224 B11R2.36 Oc1cc2[nH]ccc2cn1 271570a_203496583355_100000089685 [1,1,0,0,0,0|2,0,0]=4 225 B11R2.36 Oc1cc2[nH]ncc2cn1 271570a_203496583355_100009872621 [1,1,0,0,0,0|1,0,1]=4 226 B11R2.36 Oc1ccc2cc[nH]c2n1 271570a_203496583355_100009814870 [1,1,0,0,0,0|2,0,0]=4 227 B11R2.36 Oc1ccc2cn[nH]c2n1 271570a_203496583355_100009883947 [1,1,0,0,0,0|1,0,1]=4 228 B11R2.36 Oc1cnc2[nH]ccc2c1 271570a_203496583355_100000760471 [1,1,0,0,0,0|2,0,0]=4 229 B11R2.36 Oc1cnc2[nH]ncc2c1 271570a_203496583355_100009814530 [1,1,0,0,0,0|1,0,1]=4 230 B11R2.36 Oc1ncc2ccsc2n1 271570a_203496583355_100009840870 [1,1,0,0,0,0|2,0,0]=4 231 B13R2.573 C=Cc1ncnc2c1ccn2C 271570a_100011290941_100000076352 [0,2,0,0,0,0|2,0,0]=4 232 B13R2.573 C=Cc1ncnc2c1cnn2C 271570a_100011290941_100000242733 [0,2,0,0,0,0|1,0,1]=4 233 B13R2.573 CNc1ncnc2c1ccn2C 27a_100102657272_100000076352 [0,2,0,0,0,0|2,0,0]=4 234 B13R2.573 CNc1ncnc2c1cnn2C 27a_100102657272_100000242733 [0,2,0,0,0,0|1,0,1]=4 235 B13R2.573 CSc1ncnc2c1ccn2C 62a_200000210301_100000076352 [0,2,0,0,0,0|1,1,0]=4 236 B13R2.573 CSc1ncnc2c1cnn2C 62a_200000210301_100000242733 [0,2,0,0,0,0|0,1,1]=4 237 B13R2.573 Cn1ccc2c1ncnc2S[13CH3] 62a_200025704644_100000076352 [0,2,0,0,0,0|1,1,0]=4 238 B13R2.573 Cn1ncc2c1ncnc2S[13CH3] 62a_200025704644_100000242733 [0,2,0,0,0,0|0,1,1]=4 239 B13R2.3742 Cc1nc(c2cnn(c2n1)C)O 271570a_203496583355_100000743007 [0,2,0,0,0,0|0,0,2]=4 240 B13R2.3742 Cn1ncc2c1nc([nH]c2=O)O 271570a_203496583355_100000057953 [0,2,0,0,0,0|0,0,2]=4 241 B13R2.3742 Cn1ncc2c1nc(nc2O)N 271570a_203496583355_100000144275 [0,2,0,0,0,0|0,0,2]=4 242 B13R2.4857 Cn1cc(c2c1ncnc2N)O 271570a_203496583355_100010393490 [0,2,0,0,0,0|2,0,0]=4 243 B13R2.4857 Cn1nc(c2c1ncnc2N)O 271570a_203496583355_100010724691 [0,2,0,0,0,0|1,0,1]=4 244 B13R2.54 CNc1cc2c(ncnc2[nH]1)Cl 27a_100102657272_100010240015 [0,2,0,0,0,0|2,0,0]=4 245 B13R2.54 CSc1cc2c(ncnc2[nH]1)Cl 62a_200000210301_100010240015 [0,2,0,0,0,0|2,0,0]=4 246 B13R2.54 [13CH3]Sc1cc2c(ncnc2[nH]1)Cl 62a_200025704644_100010240015 [0,2,0,0,0,0|2,0,0]=4 247 B13R2.581 C=Cc1ncnc2c1cc([nH]2)C 271570a_100011290941_100009847220 [0,2,0,0,0,0|2,0,0]=4 248 B13R2.581 CNc1ncnc2c1cc([nH]2)C 27a_100102657272_100009847220 [0,2,0,0,0,0|2,0,0]=4 249 B13R2.581 CSc1ncnc2c1cc([nH]2)C 62a_200000210301_100009847220 [0,2,0,0,0,0|1,1,0]=4 250 B13R2.581 Cc1cc2c(ncnc2[nH]1)S[13CH3] 62a_200025704644_100009847220 [0,2,0,0,0,0|1,1,0]=4 251 B13R2.582 C=Cc1ncnc2c1c(c[nH]2)C 271570a_100011290941_100000092391 [0,2,0,0,0,0|2,0,0]=4 252 B13R2.582 CNc1ncnc2c1c(c[nH]2)C 27a_100102657272_100000092391 [0,2,0,0,0,0|2,0,0]=4 253 B13R2.582 CNc1ncnc2c1c(c[nH]2)F 27a_100102657272_100009880486 [0,2,0,0,0,0|2,0,0]=4 254 B13R2.582 CSc1ncnc2c1c(c[nH]2)C 62a_200000210301_100000092391 [0,2,0,0,0,0|1,1,0]=4 255 B13R2.582 CSc1ncnc2c1c(c[nH]2)F 62a_200000210301_100009880486 [0,2,0,0,0,0|1,1,0]=4 256 B13R2.582 Cc1c[nH]c2c1c(ncn2)S[13CH3] 62a_200025704644_100000092391 [0,2,0,0,0,0|1,1,0]=4 257 B13R2.582 [13CH3]Sc1ncnc2c1c(c[nH]2)F 62a_200025704644_100009880486 [0,2,0,0,0,0|1,1,0]=4 258 B13R2.2091 C=Cc1c[nH]c2c1c(=O)[nH]cn2 271570a_100011290941_100010220714 [0,2,0,0,0,0|1,0,1]=4 259 B13R2.2091 C=Cc1c[nH]c2c1c(ncn2)N 271570a_100011290941_100010179808 [0,2,0,0,0,0|2,0,0]=4 260 B13R2.2091 C=Cc1n[nH]c2c1c(=O)[nH]cn2 271570a_100011290941_100000751889 [0,2,0,0,0,0|0,0,2]=4 261 B13R2.2091 C=Cc1n[nH]c2c1c(ncn2)N 271570a_100011290941_100000049786 [0,2,0,0,0,0|1,0,1]=4 262 B13R2.2091 CCc1c[nH]c2c1c(ncn2)O 271570a_203496583355_100009876448 [0,2,0,0,0,0|1,0,1]=4 263 B13R2.2091 CNc1n[nH]c2c1c(=O)[nH]cn2 27a_100102657272_100000751889 [0,2,0,0,0,0|0,0,2]=4 264 B13R2.2091 CNc1n[nH]c2c1c(ncn2)N 27a_100102657272_100010062276 [0,2,0,0,0,0|1,0,1]=4 265 B13R2.2091 CSc1c[nH]c2c1c(=O)[nH]cn2 62a_200000210301_100010220714 [0,2,0,0,0,0|1,0,1]=4 266 B13R2.2091 CSc1c[nH]c2c1c(ncn2)Cl 62a_200000210301_100000062014 [0,2,0,0,0,0|2,0,0]=4 267 B13R2.2091 CSc1c[nH]c2c1c(ncn2)N 62a_100010179808_200000210301 [0,2,0,0,0,0|2,0,0]=4 268 B13R2.2091 CSc1c[nH]c2c1c(ncn2)N 62a_200000210301_100010179808 [0,2,0,0,0,0|2,0,0]=4 269 B13R2.2091 CSc1n[nH]c2c1c(=O)[nH]cn2 62a_200000210301_100000751889 [0,2,0,0,0,0|0,0,2]=4 270 B13R2.2091 CSc1n[nH]c2c1c(ncn2)Cl 62a_200000210301_100010241221 [0,2,0,0,0,0|1,0,1]=4 271 B13R2.2091 CSc1n[nH]c2c1c(ncn2)N 62a_100000049786_200000210301 [0,2,0,0,0,0|1,0,1]=4 272 B13R2.2091 CSc1n[nH]c2c1c(ncn2)N 62a_200000210301_100000049786 [0,2,0,0,0,0|1,0,1]=4 273 B13R2.2091 N#Cc1c[nH]c2c1c(ncn2)O 271570a_203496583355_100009847449 [0,2,0,0,0,0|1,0,1]=4 274 B13R2.2091 [13CH3]Sc1c[nH]c2c1c(=O)[nH]cn2 62a_200025704644_100010220714 [0,2,0,0,0,0|1,0,1]=4 275 B13R2.2091 [13CH3]Sc1c[nH]c2c1c(ncn2)Cl 62a_200025704644_100000062014 [0,2,0,0,0,0|2,0,0]=4 276 B13R2.2091 [13CH3]Sc1c[nH]c2c1c(ncn2)N 62a_100010179808_200025704644 [0,2,0,0,0,0|2,0,0]=4 277 B13R2.2091 [13CH3]Sc1c[nH]c2c1c(ncn2)N 62a_200025704644_100010179808 [0,2,0,0,0,0|2,0,0]=4 278 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(=O)[nH]cn2 62a_200025704644_100000751889 [0,2,0,0,0,0|0,0,2]=4 279 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(ncn2)Cl 62a_200025704644_100010241221 [0,2,0,0,0,0|1,0,1]=4 280 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(ncn2)N 62a_100000049786_200025704644 [0,2,0,0,0,0|1,0,1]=4 281 B13R2.2091 [13CH3]Sc1n[nH]c2c1c(ncn2)N 62a_200025704644_100000049786 [0,2,0,0,0,0|1,0,1]=4 282 B13R2.11642 Nc1nc(c2c(n[nH]c2n1)O)N 271570a_203496583355_100010293082 [0,2,0,0,0,0|1,0,1]=4 283 B13R2.623 C=Cc1nc(nc2c1cc[nH]2)C 271570a_100011290941_100000092993 [0,2,0,0,0,0|2,0,0]=4 284 B13R2.623 C=Cc1nc(nc2c1cn[nH]2)C 271570a_100011290941_100000745003 [0,2,0,0,0,0|1,0,1]=4 285 B13R2.623 CNc1nc(nc2c1c[nH]n2)N 27a_100102657272_100000068426 [0,2,0,0,0,0|1,0,1]=4 286 B13R2.623 CNc1nc(nc2c1cc[nH]2)C 27a_100102657272_100000092993 [0,2,0,0,0,0|2,0,0]=4 287 B13R2.623 CNc1nc(nc2c1cn[nH]2)C 27a_100102657272_100000745003 [0,2,0,0,0,0|1,0,1]=4 288 B13R2.623 COc1nc(nc2c1cn[nH]2)O 271570a_203496583355_200013070299 [0,2,0,0,0,0|0,0,2]=4 289 B13R2.623 CSc1nc(nc2c1c[nH]n2)N 62a_100000068426_200000210301 [0,2,0,0,0,0|0,1,1]=4 290 B13R2.623 CSc1nc(nc2c1c[nH]n2)N 62a_200000210301_100000068426 [0,2,0,0,0,0|0,1,1]=4 291 B13R2.623 CSc1nc(nc2c1cc[nH]2)C 62a_200000210301_100000092993 [0,2,0,0,0,0|1,1,0]=4 292 B13R2.623 CSc1nc(nc2c1cn[nH]2)C 62a_100000745003_200000210301 [0,2,0,0,0,0|0,1,1]=4 293 B13R2.623 CSc1nc(nc2c1cn[nH]2)C 62a_200000210301_100000745003 [0,2,0,0,0,0|0,1,1]=4 294 B13R2.623 Cc1nc(c2cc[nH]c2n1)S[13CH3] 62a_200025704644_100000092993 [0,2,0,0,0,0|1,1,0]=4 295 B13R2.623 Cc1nc(c2cn[nH]c2n1)S[13CH3] 62a_100000745003_200025704644 [0,2,0,0,0,0|0,1,1]=4 296 B13R2.623 Cc1nc(c2cn[nH]c2n1)S[13CH3] 62a_200025704644_100000745003 [0,2,0,0,0,0|0,1,1]=4 297 B13R2.623 [13CH3]Sc1nc(nc2c1c[nH]n2)N 62a_100000068426_200025704644 [0,2,0,0,0,0|0,1,1]=4 298 B13R2.623 [13CH3]Sc1nc(nc2c1c[nH]n2)N 62a_200025704644_100000068426 [0,2,0,0,0,0|0,1,1]=4 299 B13R2.654 C=Cc1nc(c2cn[nH]c2n1)N 271570a_100011290941_100000696086 [0,2,0,0,0,0|1,0,1]=4 300 B13R2.654 CNc1nc(c2cn[nH]c2n1)N 27a_100102657272_100000696086 [0,2,0,0,0,0|1,0,1]=4 301 B13R2.654 CSc1nc(c2cc[nH]c2n1)O 271570a_203496583355_100000090414 [0,2,0,0,0,0|1,0,1]=4 302 B13R2.654 CSc1nc(c2cn[nH]c2n1)N 62a_200000210301_100000696086 [0,2,0,0,0,0|1,0,1]=4 303 B13R2.654 [13CH3]Sc1nc(c2cn[nH]c2n1)N 62a_200025704644_100000696086 [0,2,0,0,0,0|1,0,1]=4 304 B13R2.292 C=C=Cc1ncnc2c1cn[nH]2 271570a_100015277604_100000735611 [0,2,0,0,0,0|1,0,1]=4 305 B13R2.292 CC=Cc1ncnc2c1cn[nH]2 271570a_100016259895_100000735611 [0,2,0,0,0,0|1,0,1]=4 306 B13R2.292 CCNc1ncnc2c1cn[nH]2 27a_100015525214_100000735611 [0,2,0,0,0,0|1,0,1]=4 307 B13R2.292 CCSc1ncnc2c1cn[nH]2 62a_100000210202_100000735611 [0,2,0,0,0,0|0,1,1]=4 308 B13R2.292 FCSc1ncnc2c1cn[nH]2 62a_100015361967_100000735611 [0,2,0,0,0,0|0,1,1]=4 309 B13R2.5569 C=C(C)c1ncnc2c1cn[nH]2 271570a_100000694244_100000735611 [0,2,0,0,0,0|1,0,1]=4 310 B13R2.5569 CN(C)c1ncnc2c1cn[nH]2 27a_100102631434_100000735611 [0,2,0,0,0,0|1,0,1]=4 311 B11R2.2 c1nsc(n1)c2cc[nH]c2 271570a_100000102155_100000693119 [0,0,1,1,0,0|1,1,0]=4 312 B11R2.2 c1nsc(n1)c2cn[nH]c2 271570a_100000041997_100000693119 [0,0,1,1,0,0|0,1,1]=4