0 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.11 COC(=O)c1ncco1 AB42108 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.11 c1cc(sc1)C(CO)N PB33213 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.11 c1csc(n1)C(=O)NN AB09732 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.7 B(c1nccs1)(O)O AB43301 [1,0,0,0,0,0|3,0,0]=4 5 B8R1.7 CC(=O)c1ncco1 AB42105 [1,0,0,0,0,0|1,1,1]=4 6 B8R1.7 CC(c1cscn1)N AB27900 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.7 CC(c1nccs1)N AB12719 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.7 C[C@@H](c1nccs1)N AB66719 [1,0,0,0,0,0|1,0,0]=2 9 B8R1.7 C[C@H](c1nccs1)N AB68275 [1,0,0,0,0,0|1,0,0]=2 10 B8R1.7 c1coc(n1)C(Cl)Cl AB21330 [1,0,0,0,0,0|2,1,0]=4 11 B8R1.7 c1csc(n1)C(=N)N PB24428 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 c1csc(n1)C(=O)O AB10888 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.7 c1csc(n1)C(=S)N AB28335 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.8 C1C=NC(=N1)CCN AB11463 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.8 CNCC1=NC=NC1 AB57901 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 CNCC1=NN=CC1 AB27908 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 CNCc1cccs1 AB13997 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.8 CNCc1ccon1 AB27911 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 CNCc1ccon1 AB27912 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.8 CNCc1cncs1 AB27956 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.8 CNCc1cocn1 AB63386 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.8 CNCc1cscn1 AB27945 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.8 CNCc1cscn1 AB27947 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.8 CNCc1nccs1 AB12715 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.8 COCc1[nH]ccn1 PB20902 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.8 c1[nH]c(nn1)CCN AB39245 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.8 c1[nH]c(nn1)CCN AB57486 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.8 c1c(ncs1)CCN AB45423 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.8 c1cc(sc1)CCN PB12982 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.8 c1cc(sc1)CNN PB12479 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.8 c1cnn(c1)CCN AB15836 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.8 c1coc(n1)CC=O AB57661 [1,0,0,0,0,0|1,1,1]=4 34 B8R1.8 c1csc(n1)CC#N PB29400 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.8 c1csc(n1)CC=O AB57662 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.8 c1csc(n1)CCN AB28436 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.8 c1csc(n1)CCN AB43209 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.8 c1csc(n1)N=C=O AB45691 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.8 c1nnc(o1)CCN AB57621 [1,0,0,0,0,0|2,1,0]=4 40 B8R1.8 c1nnc(s1)CCN PB27207 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.9 COC(c1[nH]ccn1)OC CB10634 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.11 CCOC(=O)c1ncco1 AB19317 [0,1,0,0,0,0|1,1,1]=4 44 B10R1.11 CCOC(=O)c1nccs1 AB23232 [0,1,0,0,0,0|1,0,1]=3 45 B10R1.11 CCOC(=O)c1ncns1 AB77003 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.11 c1cc(sc1)C(=O)CCCl AB24965 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.11 c1cc(sc1)C(CCCl)O AB24970 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.14 CCN(C)c1nc(cs1)Br AB54155 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.14 CCN(C)c1ncc(s1)Br AB54346 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.14 CNC(=O)c1nc(cs1)Br AB66075 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.14 COC(=O)c1nc(cs1)Br MB09382 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.14 COC(=O)c1ncc(s1)Br MB14341 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.14 COC(=O)c1ncc(s1)N PB39132 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.14 Cc1cnc(s1)C(=O)OC AB10517 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.14 Cc1csc(n1)C(=O)OC AB44701 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.15 CC(c1cccnc1)NC CB11165 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,0,0,0,0,1|2,0,1]=4 58 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,0,0,0,0,1|2,0,1]=4 59 B10R1.15 CCC(c1cnccn1)N PB31632 [0,0,0,0,0,1|2,0,0]=3 60 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,0,0,0,0,1|3,0,0]=4 63 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,0,0,0,0,1|3,0,0]=4 65 B7R1.1 C#Cc1nccs1 AB69173 [2,0,0,0,0,0|0,0,2]=4 66 B7R1.1 CCC1=NN=CC1 AB65715 [2,0,0,0,0,0|2,0,0]=4 67 B7R1.1 COc1nccs1 AB09330 [2,0,0,0,0,0|1,0,0]=3 68 B7R1.1 c1cc(sc1)CN PB17027 [2,0,0,0,0,0|2,0,0]=4 69 B7R1.1 c1cc(sc1)CO PB10001 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.1 c1coc(n1)CCl AB19278 [2,0,0,0,0,0|1,1,0]=4 71 B7R1.1 c1coc(n1)CN AB19275 [2,0,0,0,0,0|1,1,0]=4 72 B7R1.1 c1coc(n1)CN AB28202 [2,0,0,0,0,0|1,1,0]=4 73 B7R1.1 c1coc(n1)CO PB27948 [2,0,0,0,0,0|1,1,0]=4 74 B7R1.1 c1csc(n1)C#N PB31375 [2,0,0,0,0,0|1,0,1]=4 75 B7R1.1 c1csc(n1)C=O PB12109 [2,0,0,0,0,0|1,0,1]=4 76 B7R1.1 c1csc(n1)CCl AB42463 [2,0,0,0,0,0|1,0,0]=3 77 B7R1.1 c1csc(n1)CN MB03193 [2,0,0,0,0,0|1,0,0]=3 78 B7R1.1 c1csc(n1)CN PB20005 [2,0,0,0,0,0|1,0,0]=3 79 B7R1.1 c1nnc(s1)CN PB21876 [2,0,0,0,0,0|2,0,0]=4 80 B7R1.1 c1nnc(s1)CO PB21867 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.19 CC(C)(C)c1[nH]ccn1 PB30136 [1,1,0,0,0,0|1,0,0]=3 82 B9R1.35 CC(=O)c1nc(cs1)Br AB59795 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.35 CC(=O)c1ncc(s1)Br PB19039 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.35 CC(=O)c1ncc(s1)Cl PB35653 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.35 CC(C)C1=NN=C(C1)N AB32153 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.35 CC(C)c1cc(on1)N AB23736 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.35 CC(C)c1coc(n1)Br AB68314 [1,1,0,0,0,0|2,0,0]=4 88 B9R1.35 CC(C)c1coc(n1)Cl AB68311 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.35 CC(C)c1coc(n1)N AB68299 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.35 CC(C)c1nc(=O)[nH]o1 AB25066 [1,1,0,0,0,0|1,1,0]=4 91 B9R1.35 CC(C)c1nc(cs1)Br MB04003 [1,1,0,0,0,0|0,0,0]=2 92 B9R1.35 CC(C)c1nc(no1)Cl AB71699 [1,1,0,0,0,0|1,1,0]=4 93 B9R1.35 CC(C)c1nc(on1)Cl AB71523 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.35 CC(C)c1ncc(s1)Br MB09628 [1,1,0,0,0,0|0,0,0]=2 95 B9R1.35 CC(C)c1nnc(o1)N PB17590 [1,1,0,0,0,0|1,1,0]=4 96 B9R1.35 CC(C)n1cc(cn1)Br AB52604 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.35 CN(C)c1nc(cs1)Br AB54152 [1,1,0,0,0,0|1,0,0]=3 98 B9R1.35 CN(C)c1ncc(s1)Br AB54344 [1,1,0,0,0,0|1,0,0]=3 99 B9R1.35 Cc1[nH]c(nn1)C(C)C MB19547 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.35 Cc1[nH]cc(n1)C(C)C AB24901 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [1,1,0,0,0,0|1,0,1]=4 102 B9R1.35 Cc1csc(n1)[C@H](C)N AB68276 [1,1,0,0,0,0|1,0,0]=3 103 B9R1.35 c1c(sc(n1)C(F)F)Br PB37411 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.7 CCCC1=NN=C(C1)N AB53750 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.7 CCOc1nc(cs1)Br AB42966 [1,1,0,0,0,0|1,0,0]=3 106 B9R1.7 Cc1coc(n1)CNC AB70150 [1,1,0,0,0,0|1,1,0]=4 107 B9R1.7 Cc1csc(n1)CCN AB21609 [1,1,0,0,0,0|1,0,0]=3 108 B9R1.7 c1c(sc(n1)CC#N)Br PB13989 [1,1,0,0,0,0|1,0,1]=4 109 B9R1.7 c1c(sc(n1)CC#N)Cl PB11546 [1,1,0,0,0,0|1,0,1]=4 110 B9R1.7 c1cc(sc1CCN)Br AB18531 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.7 c1cc(sc1CCN)Cl MB05588 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.12 C1C=NC(=N1)CCCN AB55095 [1,1,0,0,0,0|1,0,1]=4 113 B9R1.12 CNCCc1cccs1 AB18501 [1,1,0,0,0,0|1,0,0]=3 114 B9R1.12 CNCCn1cccn1 AB48422 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.13 c1csc(n1)CC(=O)O PB23269 [1,1,0,0,0,0|1,0,1]=4 116 B9R1.33 Cn1ccnc1CCN AB26757 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.7 CC(C)(CN)c1ccccn1 AB63159 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.7 CC(C)(CN)c1cccnc1 AB65048 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.12 COC(c1ccncn1)OC PB32451 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.16 CCCC(c1cnccn1)N AB27585 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.16 CN(CCN)c1ccccn1 AB60648 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.22 CCN(C)c1cnc(cn1)Br AB54275 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.23 CCN(C)c1cccc(n1)Br AB54124 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.23 CCN(C)c1nccc(n1)Br AB54357 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.31 CN(C(=O)c1nccs1)OC AB30426 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.11 CCN(CC)c1nc(cs1)Br AB54158 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.11 CCN(CC)c1ncc(s1)Br AB54350 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.15 CCOC(=O)c1nc(cs1)Br PB13326 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.15 CCOC(=O)c1ncc(s1)C AB53493 [0,2,0,0,0,0|1,0,1]=4 130 B11R1.29 CNCCC(c1cccs1)O AB24966 [0,2,0,0,0,0|2,0,0]=4 131 B9R2.2 C1CC1C2=NCC=N2 PB18274 [1,0,0,1,0,0|1,0,1]=4 132 B9R2.2 c1cnn(c1)C2CC2 AB85325 [1,0,0,1,0,0|2,0,0]=4 133 B9R2.3 C1CC2C=NN=C2C1 AB21809 [1,0,0,1,0,0|2,0,0]=4 134 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,0,0,1,0,1|2,0,0]=4 135 B11R2.40 c1cc(cnc1)C2(CC2)N AB43088 [0,0,0,1,0,1|2,0,0]=4 136 B11R2.40 c1ccnc(c1)C2(CC2)N AB43090 [0,0,0,1,0,1|2,0,0]=4 137 B11R2.40 c1cnc(cn1)C2(CC2)N PB16659 [0,0,0,1,0,1|2,0,0]=4 138 B11R2.40 c1cnc(nc1)C2(CC2)N PB27038 [0,0,0,1,0,1|2,0,0]=4 139 B11R2.2 c1cnn(c1)C2CCNC2 AB69493 [0,1,0,1,0,0|2,0,0]=4 140 B11R2.2 c1cnn(c1)[C@@H]2CCNC2 AB69501 [0,1,0,1,0,0|2,0,0]=4 141 B11R2.2 c1cnn(c1)[C@H]2CCNC2 AB69503 [0,1,0,1,0,0|2,0,0]=4 142 B11R2.2 c1csc(n1)C2CCCN2 AB20855 [0,1,0,1,0,0|0,0,0]=2 143 B11R2.106 CC1c2cccn2CCN1 AB05925 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.6 CC(C)c1ccccn1 PB21659 [1,0,0,0,0,1|1,0,0]=3 145 B9R1.6 CC(c1ccccn1)N AB21604 [1,0,0,0,0,1|2,0,0]=4 146 B9R1.6 CC(c1cccnc1)N AB09764 [1,0,0,0,0,1|2,0,0]=4 147 B9R1.6 CC(c1ccncn1)N PB34498 [1,0,0,0,0,1|2,0,0]=4 148 B9R1.6 CC(c1cnccn1)N PB14922 [1,0,0,0,0,1|2,0,0]=4 149 B9R1.6 CC(c1ncccn1)N AB59468 [1,0,0,0,0,1|2,0,0]=4 150 B9R1.6 CN(C)c1ncccn1 AB64628 [1,0,0,0,0,1|2,0,0]=4 151 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,0,0,0,0,1|2,0,0]=4 152 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,0,0,0,0,1|2,0,0]=4 153 B9R1.8 CNCc1ccccn1 AB10674 [1,0,0,0,0,1|2,0,0]=4 154 B9R1.8 CNCc1cccnc1 AB01384 [1,0,0,0,0,1|2,0,0]=4 155 B9R1.8 CNCc1cnccn1 PB18749 [1,0,0,0,0,1|2,0,0]=4 156 B9R1.8 CNCc1ncccn1 PB29842 [1,0,0,0,0,1|2,0,0]=4 157 B9R1.8 c1cc(cnc1)CCN AB04606 [1,0,0,0,0,1|2,0,0]=4 158 B9R1.8 c1cc(nnc1)CCN AB61130 [1,0,0,0,0,1|2,0,0]=4 159 B9R1.8 c1ccnc(c1)CCN AB00732 [1,0,0,0,0,1|2,0,0]=4 160 B9R1.8 c1cnc(cn1)CCN AB22666 [1,0,0,0,0,1|2,0,0]=4 161 B9R1.8 c1cnc(nc1)CCN AB55156 [1,0,0,0,0,1|2,0,0]=4 162 B9R1.8 c1cncnc1CCN PB14818 [1,0,0,0,0,1|2,0,0]=4 163 B11R1.40 CC(CN)Oc1cccnc1 AB16397 [0,0,0,0,0,2|2,0,0]=4