0 B12R2.1 C=Cc1ncn2c1cccc2 271570a_100011290941_100000688344 [0,0,0,0,0,1|2,0,0]=3 1 B12R2.1 CSc1ncn2c1cccc2 62a_200000210301_100010892795 [0,0,0,0,0,1|3,0,0]=4 2 B12R2.1 [13CH3]Sc1ncn2c1cccc2 62a_200025704644_100010892795 [0,0,0,0,0,1|3,0,0]=4 3 B12R2.44 C=Cc1cc2[nH]ccc2cn1 271570a_100011290941_100000089685 [0,0,0,0,0,1|3,0,0]=4 4 B12R2.44 C=Cc1cc2nccn2cn1 271570a_100011290941_100000052551 [0,0,0,0,0,1|2,0,0]=3 5 B12R2.44 C=Cc1cc2ncnn2cn1 271570a_100011290941_100000101099 [0,0,0,0,0,1|3,0,0]=4 6 B12R2.44 C=Cc1cc2sccc2cn1 271570a_100011290941_200016184645 [0,0,0,0,0,1|2,1,0]=4 7 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [0,0,0,0,0,1|3,0,0]=4 8 B12R2.44 C=Cc1ccn2ccnc2c1 271570a_100011290941_100009816855 [0,0,0,0,0,1|3,0,0]=4 9 B12R2.44 C=Cc1ncc2ccsc2n1 271570a_100011290941_100009840870 [0,0,0,0,0,1|2,1,0]=4 10 B12R2.44 CSc1cc2nccn2cn1 62a_200000210301_100000052551 [0,0,0,0,0,1|3,0,0]=4 11 B12R2.44 [13CH3]Sc1cc2nccn2cn1 62a_200025704644_100000052551 [0,0,0,0,0,1|3,0,0]=4 12 B12R2.315 C=Cc1cccc2c1occ2 271570a_100011290941_100011935138 [0,0,0,0,0,1|3,0,0]=4 13 B12R2.315 C=Cc1cccn2c1ncc2 271570a_100011290941_100011934911 [0,0,0,0,0,1|3,0,0]=4 14 B12R2.315 C=Cc1ccnc2c1occ2 271570a_100011290941_100009853057 [0,0,0,0,0,1|3,0,0]=4 15 B12R2.315 C=Cc1cncc2c1[nH]cc2 271570a_100011290941_100000217057 [0,0,0,0,0,1|3,0,0]=4 16 B12R2.315 C=Cc1cncn2c1nnc2 271570a_100011290941_100009864847 [0,0,0,0,0,1|3,0,0]=4 17 B12R2.315 C=Cc1nccc2c1[nH]cc2 271570a_100011290941_100009816714 [0,0,0,0,0,1|3,0,0]=4 18 B12R2.315 C=Cc1nccc2c1scc2 271570a_100011290941_100000117209 [0,0,0,0,0,1|2,1,0]=4 19 B12R2.315 C=Cc1nccn2c1ccc2 271570a_100011290941_100000094558 [0,0,0,0,0,1|2,0,0]=3 20 B12R2.315 C=Cc1nccn2c1ccn2 271570a_100011290941_100009846796 [0,0,0,0,0,1|3,0,0]=4 21 B12R2.315 C=Cc1nccn2c1cnc2 271570a_100011290941_100009989554 [0,0,0,0,0,1|3,0,0]=4 22 B12R2.315 C=Cc1nccn2c1ncc2 271570a_100011290941_100009887225 [0,0,0,0,0,1|2,0,0]=3 23 B12R2.315 C=Cc1nccn2c1ncn2 271570a_100011290941_100000094309 [0,0,0,0,0,1|3,0,0]=4 24 B12R2.315 C=Cc1nccn2c1nnc2 271570a_100011290941_100000757256 [0,0,0,0,0,1|3,0,0]=4 25 B12R2.315 C=Cc1ncnc2c1[nH]cc2 271570a_100011290941_100000084117 [0,0,0,0,0,1|3,0,0]=4 26 B12R2.315 C=Cc1ncnc2c1scc2 271570a_100011290941_100000234879 [0,0,0,0,0,1|2,1,0]=4 27 B12R2.315 C=Cc1ncnn2c1ccc2 271570a_100011290941_100000104113 [0,0,0,0,0,1|2,0,0]=3 28 B12R2.315 CNc1nccn2c1ccc2 27a_100102657272_100000094558 [0,0,0,0,0,1|3,0,0]=4 29 B12R2.315 CNc1nccn2c1ncc2 27a_100102657272_102495338505 [0,0,0,0,0,1|3,0,0]=4 30 B12R2.315 CNc1ncnn2c1ccc2 27a_100102657272_100000104113 [0,0,0,0,0,1|3,0,0]=4 31 B12R2.315 CSc1nccn2c1ccc2 62a_200000210301_100000094558 [0,0,0,0,0,1|3,0,0]=4 32 B12R2.315 CSc1nccn2c1ncc2 62a_200000210301_102495338505 [0,0,0,0,0,1|3,0,0]=4 33 B12R2.315 CSc1ncnn2c1ccc2 62a_200000210301_100000104113 [0,0,0,0,0,1|3,0,0]=4 34 B12R2.315 [13CH3]Sc1nccn2c1ccc2 62a_200025704644_100000094558 [0,0,0,0,0,1|3,0,0]=4 35 B12R2.315 [13CH3]Sc1nccn2c1ncc2 62a_200025704644_102495338505 [0,0,0,0,0,1|3,0,0]=4 36 B12R2.315 [13CH3]Sc1ncnn2c1ccc2 62a_200025704644_100000104113 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.18 C=CCSc1[nH]cnc1C=O 62a_100000210623_100015192532 [0,1,1,0,0,0|1,1,0]=4 38 B11R1.18 C=CCSc1[nH]cnc1C=O 62a_100015192532_100000210623 [0,1,1,0,0,0|1,1,0]=4 39 B13R2.1 C=C=Cc1ncn2c1cccc2 271570a_100015277604_100000688344 [0,1,0,0,0,1|2,0,0]=4 40 B13R2.1 CC=Cc1ncn2c1cccc2 271570a_100016259895_100000688344 [0,1,0,0,0,1|2,0,0]=4 41 B13R2.72 C=C(C)c1ncn2c1cccc2 271570a_100000694244_100000688344 [0,1,0,0,0,1|2,0,0]=4 42 B13R2.2931 C=Cc1nc(n2c1cncc2)C 271570a_100011290941_100010220708 [0,1,0,0,0,1|2,0,0]=4 43 B13R2.430 C=C(C)c1cc2nccn2cn1 271570a_100000694244_100000052551 [0,1,0,0,0,1|2,0,0]=4 44 B13R2.449 C=C=Cc1cc2nccn2cn1 271570a_100015277604_100000052551 [0,1,0,0,0,1|2,0,0]=4 45 B13R2.449 CC=Cc1cc2nccn2cn1 271570a_100016259895_100000052551 [0,1,0,0,0,1|2,0,0]=4 46 B13R2.654 C=Cc1cc2nccn2c(n1)O 271570a_100011290941_100015273213 [0,1,0,0,0,1|2,0,0]=4 47 B13R2.292 C=C=Cc1nccn2c1ccc2 271570a_100015277604_100000094558 [0,1,0,0,0,1|2,0,0]=4 48 B13R2.292 C=C=Cc1nccn2c1ncc2 271570a_100015277604_100009887225 [0,1,0,0,0,1|2,0,0]=4 49 B13R2.292 C=C=Cc1ncnn2c1ccc2 271570a_100015277604_100000104113 [0,1,0,0,0,1|2,0,0]=4 50 B13R2.292 CC=Cc1nccn2c1ccc2 271570a_100016259895_100000094558 [0,1,0,0,0,1|2,0,0]=4 51 B13R2.292 CC=Cc1nccn2c1ncc2 271570a_100016259895_100009887225 [0,1,0,0,0,1|2,0,0]=4 52 B13R2.292 CC=Cc1ncnn2c1ccc2 271570a_100016259895_100000104113 [0,1,0,0,0,1|2,0,0]=4 53 B13R2.581 C=Cc1nccn2c1nc(c2)C 271570a_100011290941_100000098434 [0,1,0,0,0,1|2,0,0]=4 54 B13R2.611 C=Cc1cnc(n2c1ncc2)Cl 271570a_100011290941_102125931470 [0,1,0,0,0,1|2,0,0]=4 55 B13R2.5569 C=C(C)c1nccn2c1ccc2 271570a_100000694244_100000094558 [0,1,0,0,0,1|2,0,0]=4 56 B13R2.5569 C=C(C)c1nccn2c1ncc2 271570a_100000694244_100009887225 [0,1,0,0,0,1|2,0,0]=4 57 B13R2.5569 C=C(C)c1ncnn2c1ccc2 271570a_100000694244_100000104113 [0,1,0,0,0,1|2,0,0]=4 58 B11R2.36 Oc1cc2nccn2cn1 271570a_203496583355_100000052551 [0,0,1,1,0,0|2,0,0]=4 59 B11R2.106 Oc1cccc2c1nc[nH]2 271570a_203496583355_100011935113 [0,0,1,1,0,0|2,0,0]=4 60 B11R2.106 Oc1ccnc2c1nc[nH]2 271570a_203496583355_100009820729 [0,0,1,1,0,0|2,0,0]=4 61 B11R2.106 Oc1nccc2c1cco2 271570a_203496583355_100000041166 [0,0,1,1,0,0|2,0,0]=4 62 B11R2.2 c1c[nH]c(n1)c2c[nH]cn2 271570a_100016988920_100000756875 [0,0,1,1,0,0|1,0,1]=4 63 B11R2.2 c1c[nH]c(n1)c2cnco2 271570a_100016988920_100020591547 [0,0,1,1,0,0|2,0,0]=4 64 B11R2.2 c1c[nH]c(n1)c2cncs2 271570a_100010231675_100025796157 [0,0,1,1,0,0|2,0,0]=4 65 B11R2.2 c1c[nH]c(n1)c2cncs2 271570a_100016988920_100011934649 [0,0,1,1,0,0|2,0,0]=4 66 B11R2.2 c1c[nH]c(n1)c2cscn2 271570a_100016988920_100000751502 [0,0,1,1,0,0|2,0,0]=4 67 B11R2.2 c1c[nH]c(n1)c2ncns2 271570a_100016988920_100000693119 [0,0,1,1,0,0|2,0,0]=4 68 B11R2.2 c1coc(c1)c2c[nH]cn2 271570a_100000750936_100000756875 [0,0,1,1,0,0|1,0,1]=4 69 B11R2.2 c1coc(c1)c2cnco2 271570a_100000750936_100020591547 [0,0,1,1,0,0|2,0,0]=4 70 B11R2.2 c1coc(c1)c2cncs2 271570a_100000750936_100011934649 [0,0,1,1,0,0|2,0,0]=4 71 B11R2.2 c1coc(c1)c2cncs2 271570a_100010231675_100009814098 [0,0,1,1,0,0|2,0,0]=4 72 B11R2.2 c1coc(c1)c2cscn2 271570a_100000750936_100000751502 [0,0,1,1,0,0|2,0,0]=4 73 B11R2.2 c1coc(c1)c2ncns2 271570a_100000750936_100000693119 [0,0,1,1,0,0|2,0,0]=4 74 B11R2.2 c1coc(n1)c2cncs2 271570a_100010231675_100011787736 [0,0,1,1,0,0|1,0,1]=4