0 B9R1.8 CCSc1ncccn1 CSC000000290 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 CSc1ncccn1 CSC000000289 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.1 CCNc1ccc(cc1)Cl CSC000220165 [0,1,0,0,0,0|3,0,0]=4 3 B10R1.1 CCNc1ccc(cn1)Br CSC000741496 [0,1,0,0,0,0|2,0,0]=3 4 B10R1.1 CCNc1ncc(cn1)Cl CSC012056716 [0,1,0,0,0,0|3,0,0]=4 5 B10R1.1 CCNc1ncc(cn1)F CSC012056714 [0,1,0,0,0,0|3,0,0]=4 6 B10R1.1 CCOc1ccc(cc1)Br CSC000169946 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.1 CCOc1ccc(cc1)Cl CSC000169960 [0,1,0,0,0,0|3,0,0]=4 8 B10R1.1 CCOc1ccc(cc1)I CSC000171712 [0,1,0,0,0,0|3,0,0]=4 9 B10R1.1 CCSc1ccc(cc1)Br CSC009811893 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.1 CCSc1ccc(cc1)C CSC000006686 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.1 CCSc1ccc(cc1)Cl CSC000005996 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.1 CCSc1ccc(cc1)F CSC000006007 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.1 CCSc1ncc(cn1)C CSC000048305 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.4 CCNc1ccccc1Cl CSC000219383 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.4 CCOc1ccccc1Cl CSC000169953 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.4 CCOc1ccccc1F CSC000172994 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.4 CCSc1ccccc1C CSC000053911 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.4 CCSc1ccccc1Cl CSC000006683 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.4 CSCc1ccccc1Br CSC000148299 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.4 CSCc1ccccc1Cl CSC000051354 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.10 CCOc1cccc(c1)Cl CSC000170019 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.10 CCOc1cccc(c1)F CSC000170038 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.10 CCSc1cccc(c1)C CSC000055746 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.10 CCSc1cccc(c1)Cl CSC000059004 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.10 CCSc1cccc(c1)F CSC000106542 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.10 CSCc1cccc(c1)Cl CSC000051353 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.10 CSCc1cccc(c1)F CSC000053058 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.17 CCCSc1ccccc1 CSC000005822 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.17 CCCSc1ccccn1 CSC000006455 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.17 CCSCc1ccccc1 CSC000006444 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.17 COCSc1ccccc1 CSC000000817 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.17 CSCCc1ccncc1 CSC015420737 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.17 OCCSc1ccccc1 CSC000230494 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.17 OCCSc1ccccn1 CSC000156319 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.18 CC(C)Nc1ncccn1 CSC000156085 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.8 CCSc1cccs1 CSC009829625 [0,0,0,0,1,0|2,0,0]=3 41 B9R1.1 CSc1ccc(cn1)Br CSC011408404 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.15 CNc1ncccc1Br CSC000700899 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.7 CCCn1cc(cn1)Br CSC011400188 [0,1,0,0,1,0|1,0,0]=3 45 B9R1.7 CCCn1cc(cn1)Cl CSC012129384 [0,1,0,0,1,0|1,0,0]=3 46 B9R1.7 CCCn1cc(cn1)I CSC012073160 [0,1,0,0,1,0|1,0,0]=3 47 B9R1.7 FCCn1cc(cn1)I CSC012468356 [0,1,0,0,1,0|2,0,0]=4 48 B9R1.7 NCCn1cc(cn1)I CSC000721286 [0,1,0,0,1,0|2,0,0]=4 49 B9R1.7 OCCn1cc(cn1)Br CSC011236722 [0,1,0,0,1,0|2,0,0]=4 50 B9R1.7 OCCn1cc(cn1)Cl CSC011398116 [0,1,0,0,1,0|2,0,0]=4 51 B9R1.7 OCCn1cc(cn1)I CSC012072722 [0,1,0,0,1,0|2,0,0]=4 52 B9R1.7 OCCn1cnc(n1)Br CSC000733992 [0,1,0,0,1,0|2,0,0]=4 53 B9R1.7 OCCn1cnc(n1)Cl CSC010979029 [0,1,0,0,1,0|2,0,0]=4 54 B9R1.12 CCCSc1nnc[nH]1 CSC000000441 [0,1,0,0,1,0|1,0,1]=4 55 B9R1.12 CCNCc1cccs1 CSC000186918 [0,1,0,0,1,0|1,0,0]=3 56 B9R1.12 CCNCc1ccsc1 CSC000201226 [0,1,0,0,1,0|1,0,0]=3 57 B9R1.12 CCSCc1ccco1 CSC000028914 [0,1,0,0,1,0|1,0,0]=3 58 B9R1.12 OCCSc1cccs1 CSC011305907 [0,1,0,0,1,0|2,0,0]=4 59 B9R1.33 CCSc1nccn1C CSC016059898 [0,1,0,0,1,0|1,0,1]=4 60 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [0,2,0,0,0,0|2,0,0]=4 62 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [0,2,0,0,0,0|2,0,0]=4 64 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [0,2,0,0,0,0|2,0,0]=4 73 B11R1.1 NCCNc1ccc(cn1)Br CSC011214600 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.1 OCCSc1ccc(cn1)Cl CSC011219778 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.22 CNC(=O)c1cnc(cn1)C CSC000159899 [0,2,0,0,0,0|1,0,1]=4 76 B11R1.22 COC(=O)c1cnc(cn1)C CSC000149074 [0,2,0,0,0,0|1,0,1]=4 77 B11R1.83 CCCc1ccc(cc1)OC CSC000034192 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.83 CCOc1ccc(nc1)CO CSC012645146 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.83 CCSc1ccc(cn1)C#N CSC011228066 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.17 CCCCn1cnccc1=O CSC012650617 [0,2,0,0,0,0|2,0,0]=4 81 B11R1.17 CCCOc1ccccc1Br CSC000174042 [0,2,0,0,0,0|2,0,0]=4 82 B11R1.17 CCCOc1ccccc1C CSC000169983 [0,2,0,0,0,0|2,0,0]=4 83 B11R1.17 CCCOc1ccccc1F CSC000173322 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.17 CCCSc1ccccc1Br CSC000230854 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.17 CCCSc1ccccc1Cl CSC000006739 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.17 CCNCc1ccccc1F CSC000201217 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.17 CCSCc1ccccc1Cl CSC000044547 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.17 NCCNc1ncccc1Br CSC011464841 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.41 CCNc1ncccc1C#N CSC000156588 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.41 CCNc1ncccc1OC CSC011290862 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.222 CNC(=O)c1nccnc1N CSC000025198 [0,2,0,0,0,0|1,0,1]=4 92 B11R1.222 COC(=O)c1nccnc1C CSC000090199 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.24 CCCOc1cccc(c1)C CSC000169976 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.24 CCCSc1cccc(c1)Br CSC009815762 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.24 CCCSc1cccc(c1)C CSC000055754 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.24 CCCSc1cccc(c1)Cl CSC000059010 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.24 CCNCc1cccc(c1)F CSC000195558 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.24 CCNCc1cccc(c1)O CSC000201218 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.24 CCSCc1cccc(c1)Br CSC000173034 [0,2,0,0,0,0|2,0,0]=4 100 B11R1.24 CCSCc1cccc(c1)Cl CSC000044546 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.24 CCSCc1cccc(c1)F CSC000044556 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.24 Cc1ccnc(c1)NCCN CSC011532785 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.24 NCCNc1cncc(c1)Br CSC014501548 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.16 CCNC(=O)c1cccnc1 CSC000160098 [0,2,0,0,0,0|1,0,1]=4 106 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.16 CCOC(=O)c1ccccn1 CSC000169882 [0,2,0,0,0,0|1,0,1]=4 108 B11R1.16 CCOC(=O)c1cnccn1 CSC000170199 [0,2,0,0,0,0|0,0,1]=3 109 B11R1.28 CCCCNc1ccccc1 CSC000211623 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.28 CCCCNc1ccccn1 CSC000156416 [0,2,0,0,0,0|1,0,0]=3 111 B11R1.28 CCCCOc1ccccc1 CSC011212283 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.28 CCCCSc1ncccn1 CSC000002571 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.28 CCCNCc1ccccn1 CSC000201641 [0,2,0,0,0,0|1,0,0]=3 114 B11R1.28 CCCNCc1cccnc1 CSC000180834 [0,2,0,0,0,0|1,0,0]=3 115 B11R1.28 CCCSCc1ccccc1 CSC000006446 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.28 COCCOc1ccccc1 CSC000757042 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.28 COCCSc1ccccc1 CSC025761232 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.28 COCCSc1ccccn1 CSC000024487 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.28 CSCCCc1ccccc1 CSC000051364 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.28 CSCCOc1ccccc1 CSC000148400 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.28 OCCCOc1ccccc1 CSC011215863 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.28 OCCNCc1ccccc1 CSC000180844 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.28 OCCNCc1ccccn1 CSC000200435 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.28 OCCSCc1ccccc1 CSC011205989 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.40 CCC(=O)Nc1ccccn1 CSC000017115 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.40 CCC(=O)Nc1cccnc1 CSC000159158 [0,2,0,0,0,0|1,0,1]=4 127 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.91 CC(=O)NCc1cccnc1 CSC000154915 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.91 CC(C)CNc1ccccn1 CSC000156674 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.91 CC(C)NCc1ccccn1 CSC000200191 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.91 CC(C)NCc1cccnc1 CSC000200193 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.91 CC(N)CNc1ccccn1 CSC011914399 [0,2,0,0,0,0|1,0,0]=3 135 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [0,2,0,0,0,0|2,0,0]=4