0 B8R1.8 C#CCn1ccnc1 AB25329 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.8 C(CCl)c1[nH]nnn1 AB16838 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 C(CO)c1[nH]nnn1 AB16834 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 C1=NC=NC1CC#N PB21883 [0,0,0,0,0,0|0,0,4]=4 4 B8R1.8 C1=NC=NC1CCO PB21680 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.8 C1=NN=CC1CCN AB30567 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.8 C1=NN=CC1CCO AB14476 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.8 C1C=C(N=N1)CCN AB60568 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.8 C1C=NC(=N1)CCN AB11463 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.8 C1N=CC=[N+]1CCN AB72185 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.8 CNCC1=NC=NC1 AB57901 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.8 CNCC1=NN=CC1 AB27908 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 CNCc1cccs1 AB13997 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 CNCc1ccno1 AB27949 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 CNCc1cncs1 AB27956 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.8 CNCc1cnsc1 AB74097 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 CNCc1cocn1 AB63386 [0,0,0,0,0,0|3,0,1]=4 17 B8R1.8 CNCc1cscn1 AB27945 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.8 CNCc1cscn1 AB27947 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.8 COCc1[nH]ccn1 PB20902 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 c1[nH]c(nn1)CCN AB39245 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.8 c1[nH]c(nn1)CCN AB57486 [0,0,0,0,0,0|1,0,0]=1 22 B8R1.8 c1c(con1)CCN AB28074 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.8 c1c(con1)CCO AB22774 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.8 c1c(ncs1)CCN AB45423 [0,0,0,0,0,0|1,0,1]=2 25 B8R1.8 c1cc(sc1)CCN PB12982 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.8 c1cc(sc1)CCO PB32074 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.8 c1cc(sc1)CNN PB12479 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.8 c1ccn(c1)CCBr MB00850 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.8 c1cn(cn1)CCN AB13191 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.8 c1cn(nn1)CCBr AB64262 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.8 c1cn(nn1)CCCl AB64265 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.8 c1cn(nn1)CCN AB28528 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.8 c1cn(nn1)CCO AB16637 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.8 c1cnn(c1)CCN AB15836 [0,0,0,0,0,0|2,0,1]=3 35 B8R1.8 c1csc(n1)CCN AB28436 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.8 c1csc(n1)CCN AB43209 [0,0,0,0,0,0|2,0,1]=3 37 B8R1.8 c1cscc1CC#N PB19846 [0,0,0,0,0,0|2,0,2]=4 38 B8R1.8 c1cscc1CCN PB24618 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.8 c1cscc1CCO PB25903 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.8 c1cscc1CNN PB25191 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.8 c1ncn(n1)CCBr AB15840 [0,0,0,0,0,0|2,0,1]=3 42 B8R1.8 c1ncn(n1)CCN AB09728 [0,0,0,0,0,0|1,0,1]=2 43 B8R1.8 c1nnc(o1)CCN AB57621 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.8 c1nnc(s1)CCN PB27207 [0,0,0,0,0,0|2,0,0]=2 45 B8R1.8 c1nncn1CCO AB13932 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.1 C(c1[nH]nnn1)Cl AB15715 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 C(c1[nH]nnn1)N AB28600 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.1 C1=NC=NC1CBr AB53027 [1,0,0,0,0,0|1,0,2]=4 49 B7R1.1 C1=NC=NC1CCl AB09871 [1,0,0,0,0,0|1,0,2]=4 50 B7R1.1 C1=NC=NC1CCl AB43165 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.1 C1=NC=NC1CN AB09180 [1,0,0,0,0,0|0,0,2]=3 52 B7R1.1 C1=NC=NC1CN MB06927 [1,0,0,0,0,0|0,0,2]=3 53 B7R1.1 C1=NC=NC1CO PB24669 [1,0,0,0,0,0|1,0,2]=4 54 B7R1.1 C1=NN=CC1CN PB32875 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.1 C1=NN=NC1CN AB28344 [1,0,0,0,0,0|1,0,2]=4 56 B7R1.1 C1C=C(N=N1)CN AB59768 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.1 C1C=C(N=N1)CN CB11648 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.1 C1C=C(N=N1)CN PB34098 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 C1C=NC(=N1)CN PB21839 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.1 CCC1=NN=CC1 AB65715 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.1 CCn1cncn1 AB31524 [1,0,0,0,0,0|1,0,1]=3 63 B7R1.1 CSC1=NC=NC1 CB10764 [1,0,0,0,0,0|1,0,2]=4 64 B7R1.1 c1[nH]c(nn1)C=O AB48516 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 c1[nH]c(nn1)CCl AB48521 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 c1[nH]c(nn1)CN AB53782 [1,0,0,0,0,0|1,0,0]=2 67 B7R1.1 c1[nH]nc(n1)CN AB25050 [1,0,0,0,0,0|1,0,2]=4 68 B7R1.1 c1c(con1)CN AB28201 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.1 c1c(con1)CN PB34298 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.1 c1c(con1)CO PB14463 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 c1c(csn1)CCl AB74096 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 c1c(csn1)CN AB62615 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 c1c(nco1)CCl AB71585 [1,0,0,0,0,0|2,0,1]=4 74 B7R1.1 c1c(nco1)CN PB29323 [1,0,0,0,0,0|1,0,1]=3 75 B7R1.1 c1c(nco1)CO PB29559 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.1 c1c(ncs1)CCl AB10919 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.1 c1c(ncs1)CN AB27866 [1,0,0,0,0,0|1,0,1]=3 78 B7R1.1 c1c(ncs1)CN PB21996 [1,0,0,0,0,0|1,0,1]=3 79 B7R1.1 c1c(ncs1)CO AB20478 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.1 c1c(ocn1)C#N AB19309 [1,0,0,0,0,0|1,0,2]=4 81 B7R1.1 c1c(ocn1)C=O AB11283 [1,0,0,0,0,0|2,0,1]=4 82 B7R1.1 c1c(ocn1)CCl AB42450 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.1 c1c(ocn1)CN AB30442 [1,0,0,0,0,0|1,0,0]=2 84 B7R1.1 c1c(ocn1)CO PB32681 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.1 c1c(scn1)C=O AB11293 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.1 c1c(scn1)CCl AB64977 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.1 c1c(scn1)CN AB27929 [1,0,0,0,0,0|1,0,0]=2 88 B7R1.1 c1c(scn1)CN PB32316 [1,0,0,0,0,0|1,0,0]=2 89 B7R1.1 c1c(scn1)CO AB20492 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.1 c1cc(oc1)CCl MB06568 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 c1cc(sc1)CN PB17027 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.1 c1cc(sc1)CO PB10001 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.1 c1cnoc1CN AB27950 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.1 c1cnoc1CN AB27954 [1,0,0,0,0,0|2,0,0]=3 95 B7R1.1 c1cnoc1CO AB28102 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.1 c1cnsc1CCl AB70841 [1,0,0,0,0,0|3,0,0]=4 97 B7R1.1 c1cnsc1CN AB70840 [1,0,0,0,0,0|2,0,0]=3 98 B7R1.1 c1coc(n1)CN AB19275 [1,0,0,0,0,0|2,0,1]=4 99 B7R1.1 c1coc(n1)CN AB28202 [1,0,0,0,0,0|2,0,1]=4 100 B7R1.1 c1conc1CN PB24935 [1,0,0,0,0,0|2,0,1]=4 101 B7R1.1 c1csc(n1)CN MB03193 [1,0,0,0,0,0|2,0,1]=4 102 B7R1.1 c1csc(n1)CN PB20005 [1,0,0,0,0,0|2,0,1]=4 103 B7R1.1 c1cscc1CN AB13999 [1,0,0,0,0,0|2,0,0]=3 104 B7R1.1 c1cscc1CN PB12237 [1,0,0,0,0,0|2,0,0]=3 105 B7R1.1 c1cscc1CO PB10036 [1,0,0,0,0,0|3,0,0]=4 106 B7R1.1 c1csnc1CN PB23687 [1,0,0,0,0,0|2,0,1]=4 107 B7R1.1 c1nnc(o1)CCl AB08293 [1,0,0,0,0,0|3,0,0]=4 108 B7R1.1 c1nnc(o1)CN AB25336 [1,0,0,0,0,0|2,0,0]=3 109 B7R1.1 c1nnc(s1)CN PB21876 [1,0,0,0,0,0|2,0,0]=3 110 B7R1.1 c1nnc(s1)CO PB21867 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.7 C1=NC(=NC1Br)CCN AB58063 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.7 CC1=NC(=NC1)CCN AB28221 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.7 CCCC1=NN=C(C1)N AB53750 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.7 Cc1[nH]c(cn1)CCN AB76713 [0,1,0,0,0,0|0,0,0]=1 115 B9R1.7 Cc1[nH]c(nn1)CCN AB28075 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.7 Cc1[nH]c(nn1)CCN AB55812 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.7 Cc1csc(n1)CCN AB21609 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.7 Cc1nc(on1)CCN AB55666 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.7 Cc1nnc(o1)CCN AB54542 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.7 Cn1cc(cn1)CCN AB45456 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.7 Cn1cc(nn1)CCN AB57206 [0,1,0,0,0,0|1,0,2]=4 122 B9R1.7 c1c(csc1Cl)CNN PB36540 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.7 c1cc(sc1CCN)Br AB18531 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.7 c1cc(sc1CCN)Cl MB05588 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.7 c1cc(sc1CNN)Cl PB15933 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.11 c1c(ocn1)C(=O)NN AB19294 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.11 c1c(scn1)C(=O)NN AB28338 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.11 c1cc(sc1)C(CO)N PB33213 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.12 C1=NC=NC1CCCN AB10031 [0,1,0,0,0,0|0,0,2]=3 130 B9R1.12 C1C=NC(=N1)CCCN AB55095 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.12 CNCCc1cccs1 AB18501 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.12 CNCCn1cccn1 AB48422 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.12 c1cn(nn1)CCCN AB16646 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.12 c1ncn(n1)CCCN AB15838 [0,1,0,0,0,0|1,0,1]=3 135 B9R1.33 CC1=NC=NC1CCN AB45417 [0,1,0,0,0,0|0,0,2]=3 136 B9R1.33 CNCc1cccn1C AB22465 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.33 CNCc1cncn1C AB42250 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.33 Cc1c(scn1)CC=O AB24882 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.33 Cc1c(scn1)CCBr AB76661 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.33 Cc1c(scn1)CCCl AB07565 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.33 Cc1c(scn1)CCN AB43197 [0,1,0,0,0,0|1,0,0]=2 142 B9R1.33 Cc1c(scn1)CCO AB00407 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.33 Cn1ccnc1CCN AB26757 [0,1,0,0,0,0|2,0,0]=3 144 B9R2.2 C1CC1C2C=NC=N2 PB28771 [0,0,0,1,0,0|1,0,2]=4 145 B9R2.3 C1CC2C=NN=C2C1 AB21809 [0,0,0,1,0,0|3,0,0]=4 146 B9R1.8 C#CCc1cccnc1 AB61408 [0,0,0,0,0,1|2,0,1]=4 147 B9R1.8 CNCc1cccnc1 AB01384 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.8 CNCc1ccncc1 AB02721 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.8 CNCc1ccnnc1 PB24326 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.8 CNCc1cnccn1 PB18749 [0,0,0,0,0,1|2,0,1]=4 151 B9R1.8 CNCc1cncnc1 PB33284 [0,0,0,0,0,1|2,0,1]=4 152 B9R1.8 c1c(cncn1)CC#N PB22350 [0,0,0,0,0,1|0,0,3]=4 153 B9R1.8 c1c(cncn1)CC=O AB57639 [0,0,0,0,0,1|1,0,2]=4 154 B9R1.8 c1c(cncn1)CCN AB45406 [0,0,0,0,0,1|0,0,1]=2 155 B9R1.8 c1c(cncn1)CNN PB19654 [0,0,0,0,0,1|1,0,1]=3 156 B9R1.8 c1cc(cnc1)CCN AB04606 [0,0,0,0,0,1|1,0,0]=2 157 B9R1.8 c1cc(cnc1)CNN PB16271 [0,0,0,0,0,1|2,0,0]=3 158 B9R1.8 c1cc(nnc1)CCN AB61130 [0,0,0,0,0,1|1,0,1]=3 159 B9R1.8 c1cc(nnc1)CNN PB37174 [0,0,0,0,0,1|2,0,1]=4 160 B9R1.8 c1ccnc(c1)CCN AB00732 [0,0,0,0,0,1|1,0,1]=3 161 B9R1.8 c1ccnc(c1)CNN PB19014 [0,0,0,0,0,1|2,0,1]=4 162 B9R1.8 c1cnc(cn1)CC#N PB16294 [0,0,0,0,0,1|0,0,3]=4 163 B9R1.8 c1cnc(cn1)CC=O AB57650 [0,0,0,0,0,1|1,0,2]=4 164 B9R1.8 c1cnc(cn1)CCN AB22666 [0,0,0,0,0,1|0,0,1]=2 165 B9R1.8 c1cnc(cn1)CNN PB20222 [0,0,0,0,0,1|1,0,1]=3 166 B9R1.8 c1cnc(nc1)CCN AB55156 [0,0,0,0,0,1|1,0,1]=3 167 B9R1.8 c1cnc(nc1)CNN PB21406 [0,0,0,0,0,1|2,0,1]=4 168 B9R1.8 c1cnccc1CCN AB01702 [0,0,0,0,0,1|1,0,0]=2 169 B9R1.8 c1cnccc1CNN PB10342 [0,0,0,0,0,1|2,0,0]=3 170 B9R1.8 c1cncnc1CC#N PB22811 [0,0,0,0,0,1|0,0,3]=4 171 B9R1.8 c1cncnc1CC=O AB57648 [0,0,0,0,0,1|1,0,2]=4 172 B9R1.8 c1cncnc1CCN PB14818 [0,0,0,0,0,1|0,0,1]=2 173 B9R1.8 c1cnncc1CC#N PB25603 [0,0,0,0,0,1|1,0,2]=4 174 B9R1.8 c1cnncc1CCN AB62610 [0,0,0,0,0,1|1,0,0]=2 175 B9R1.8 c1cnncc1CNN PB35490 [0,0,0,0,0,1|2,0,0]=3 176 B6R0.1 CCCC(=N)NN AB56218 [1,0,1,0,0,0|2,0,0]=4 177 B6R1.2 C1=NC=NC1N MB08721 [2,0,0,0,0,0|0,0,2]=4 178 B6R1.2 CC1=CN=CC1 PB12076 [2,0,0,0,0,0|1,0,0]=3 179 B6R1.2 CC1=CN=NC1 AB00390 [2,0,0,0,0,0|2,0,0]=4 180 B6R1.2 Cc1cocn1 AB63545 [2,0,0,0,0,0|1,0,1]=4 181 B6R1.2 c1([nH]nnn1)N CB10027 [2,0,0,0,0,0|2,0,0]=4 182 B6R1.2 c1c(con1)N AB43605 [2,0,0,0,0,0|2,0,0]=4 183 B6R1.2 c1c(csn1)N AB11898 [2,0,0,0,0,0|2,0,0]=4 184 B6R1.2 c1c(nco1)N AB65031 [2,0,0,0,0,0|1,0,1]=4 185 B6R1.2 c1c(ocn1)Br AB68491 [2,0,0,0,0,0|2,0,0]=4 186 B6R1.2 c1c(ocn1)N MB10132 [2,0,0,0,0,0|1,0,0]=3 187 B6R1.2 c1c(scn1)Br AB42975 [2,0,0,0,0,0|2,0,0]=4 188 B6R1.2 c1cc(sc1)N AB08372 [2,0,0,0,0,0|2,0,0]=4 189 B6R1.2 c1cn(cn1)N AB53511 [2,0,0,0,0,0|2,0,0]=4 190 B6R1.2 c1cnoc1N MB00706 [2,0,0,0,0,0|2,0,0]=4 191 B6R1.2 c1cscc1N MB09694 [2,0,0,0,0,0|2,0,0]=4 192 B6R1.2 c1cscc1N PB23357 [2,0,0,0,0,0|2,0,0]=4 193 B6R1.2 c1nc(sn1)N AB08270 [2,0,0,0,0,0|1,0,1]=4 194 B8R1.1 C(C1=NC(=O)N=N1)N AB27910 [1,1,0,0,0,0|1,0,1]=4 195 B8R1.1 CC1=NN=C(C1)CN AB51378 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.1 CCC1=NC(=NC1)N AB54794 [1,1,0,0,0,0|0,0,2]=4 197 B8R1.1 CCC1=NN=C(C1)N PB34258 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.1 CCc1[nH]c(cn1)Cl AB45181 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.1 CCc1cnc(o1)N AB64704 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.1 CCc1nnc(o1)N PB21808 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.1 COc1cnc(s1)N AB09307 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.1 Cc1[nH]c(cn1)C=O AB05024 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.1 Cc1[nH]c(cn1)CCl AB57911 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.1 Cc1[nH]c(cn1)CN AB57919 [1,1,0,0,0,0|0,0,0]=2 205 B8R1.1 Cc1[nH]c(cn1)CO AB57908 [1,1,0,0,0,0|1,0,0]=3 206 B8R1.1 Cc1[nH]c(nn1)CN AB46091 [1,1,0,0,0,0|1,0,0]=3 207 B8R1.1 Cc1cc(oc1)CN PB24200 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.1 Cc1cc(on1)CN AB28053 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.1 Cc1cc(sc1)CN AB25763 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.1 Cc1ccc(s1)CN AB07827 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.1 Cc1nc(co1)CN AB54740 [1,1,0,0,0,0|1,0,1]=4 212 B8R1.1 Cc1nc(cs1)CN AB23320 [1,1,0,0,0,0|1,0,1]=4 213 B8R1.1 Cc1nc(on1)CN AB57218 [1,1,0,0,0,0|1,0,1]=4 214 B8R1.1 Cc1ncc(o1)CCl AB70153 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.1 Cc1ncc(o1)CN AB64071 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.1 Cc1nnc(o1)CN AB28132 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.1 Cc1nnc(o1)CN AB28474 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.1 Cc1nnc(s1)CN AB62645 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.1 Cn1cc(cn1)CN PB29175 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.1 Cn1cc(nc1)CN PB10356 [1,1,0,0,0,0|0,0,2]=4 221 B8R1.1 Cn1ccc(c1)CN AB48514 [1,1,0,0,0,0|1,0,1]=4 222 B8R1.1 c1c(csc1Br)CN PB32960 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.1 c1c(csc1CN)Br PB27838 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.1 c1c(csc1CN)Cl PB16734 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.1 c1c(csc1Cl)CN PB15278 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.1 c1c(nc(o1)Cl)CN AB72277 [1,1,0,0,0,0|1,0,1]=4 227 B8R1.1 c1c(onc1Br)CN AB11464 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.1 c1c(onc1O)CN MB00477 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.1 c1c(sc(n1)Br)CCl AB51428 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.1 c1c(sc(n1)Br)CN AB49802 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.1 c1c(sc(n1)Br)CO AB20494 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.1 c1c(sc(n1)Cl)CCl AB08016 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.1 c1c(sc(n1)N)CO AB23150 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.1 c1cc(sc1CN)Br PB24892 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.1 c1cc(sc1CN)Cl PB22134 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.1 c1cc(sc1CN)F PB33422 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [1,1,0,0,0,0|1,0,1]=4 238 B8R1.7 CC(c1ccno1)N AB27932 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.7 CC(c1ccoc1)N AB27902 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.7 CC(c1ccoc1)N AB66830 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.7 CC(c1cscn1)N AB27900 [1,1,0,0,0,0|1,0,1]=4 242 B8R1.7 c1c(ocn1)C(=O)N AB19298 [1,1,0,0,0,0|1,0,1]=4 243 B8R1.7 c1c(ocn1)C(=S)N AB19301 [1,1,0,0,0,0|1,0,1]=4 244 B8R1.7 c1c(scn1)C(=S)N AB28331 [1,1,0,0,0,0|1,0,1]=4 245 B8R1.11 CCC1=C(N=NC1)N AB29672 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.11 CCC1=NN=CC1Br AB65712 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.11 Cc1c(con1)CN MB06775 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.11 Cc1c(nco1)CN AB68727 [1,1,0,0,0,0|1,0,1]=4 249 B8R1.11 Cc1c(non1)CN AB28419 [1,1,0,0,0,0|1,0,1]=4 250 B8R1.11 Cc1c(ocn1)CCl MB08890 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.11 Cc1c(ocn1)CO MB03682 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.11 Cc1c(scn1)CCl AB43190 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.11 Cc1c(scn1)CN AB43198 [1,1,0,0,0,0|1,0,0]=3 254 B8R1.11 Cn1c(ccn1)CN PB24806 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.11 Cn1c(cnn1)CCl AB69595 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.11 Cn1c(cnn1)CN AB57111 [1,1,0,0,0,0|1,0,0]=3 257 B8R1.11 Cn1c(ncn1)CN AB25054 [1,1,0,0,0,0|1,0,1]=4 258 B8R1.11 Cn1ccnc1CN MB07317 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.11 Cn1ccnc1CN PB30844 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.11 Cn1cncc1C#N PB24888 [1,1,0,0,0,0|0,0,2]=4 261 B8R1.11 Cn1cncc1C=O PB21631 [1,1,0,0,0,0|1,0,1]=4 262 B8R1.11 Cn1cncc1CCl AB49658 [1,1,0,0,0,0|1,0,0]=3 263 B8R1.11 Cn1cncc1CN PB24886 [1,1,0,0,0,0|0,0,0]=2 264 B8R1.11 Cn1cncc1CO PB17276 [1,1,0,0,0,0|1,0,0]=3 265 B8R1.11 Cn1cnnc1CCl AB69765 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.11 Cn1cnnc1CN AB53790 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.11 Cn1cnnc1CO AB69764 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.11 Cn1cnnc1SC AB20821 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.11 c1csc(c1Br)CN PB34113 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.11 c1csc(c1Cl)CN PB11803 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.1 Cc1ccc(cn1)CCN AB55173 [0,1,0,0,0,1|1,0,0]=3 272 B10R1.1 Cc1ccc(nc1)CCN AB31467 [0,1,0,0,0,1|1,0,1]=4 273 B10R1.1 Cc1cnc(cn1)CCN AB69468 [0,1,0,0,0,1|0,0,1]=3 274 B10R1.1 Cc1cnc(nc1)CCN AB59260 [0,1,0,0,0,1|1,0,1]=4 275 B10R1.1 Cc1ncc(cn1)CCN AB59372 [0,1,0,0,0,1|0,0,1]=3 276 B10R1.1 c1c(cnc(n1)CCN)Cl AB58674 [0,1,0,0,0,1|1,0,1]=4 277 B10R1.1 c1c(cnc(n1)CCN)F AB59267 [0,1,0,0,0,1|1,0,1]=4 278 B10R1.1 c1c(cnc(n1)Cl)CCN AB59374 [0,1,0,0,0,1|0,0,1]=3 279 B10R1.1 c1c(ncc(n1)Cl)CCBr AB69919 [0,1,0,0,0,1|1,0,1]=4 280 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [0,1,0,0,0,1|0,0,1]=3 281 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,1,0,0,0,1|2,0,0]=4 282 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.1 c1cc(ncc1Br)CCN PB20258 [0,1,0,0,0,1|1,0,1]=4 286 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.1 c1cc(ncc1CCN)Br AB45460 [0,1,0,0,0,1|1,0,0]=3 289 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [0,1,0,0,0,1|1,0,0]=3 290 B10R1.1 c1cc(ncc1CCN)N AB76809 [0,1,0,0,0,1|1,0,0]=3 291 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [0,1,0,0,0,1|1,0,1]=4 292 B10R1.1 c1cc(ncc1F)CCN AB45484 [0,1,0,0,0,1|1,0,1]=4 293 B10R1.1 c1cc(ncc1N)CCN AB67762 [0,1,0,0,0,1|1,0,1]=4 294 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,1,0,0,0,1|1,0,1]=4 295 B10R1.4 CCCc1cncnc1Cl AB55649 [0,1,0,0,0,1|1,0,1]=4 296 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,1,0,0,0,1|1,0,0]=3 297 B10R1.4 Cc1cccnc1CCN AB31462 [0,1,0,0,0,1|1,0,1]=4 298 B10R1.4 Cc1ccncc1CCN AB55157 [0,1,0,0,0,1|1,0,0]=3 299 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,1,0,0,0,1|1,0,0]=3 300 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [0,1,0,0,0,1|1,0,1]=4 301 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [0,1,0,0,0,1|1,0,1]=4 302 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,1,0,0,0,1|1,0,0]=3 303 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.4 c1cncc(c1Br)CCN AB45481 [0,1,0,0,0,1|1,0,0]=3 306 B10R1.4 c1cncc(c1Cl)CCN AB68002 [0,1,0,0,0,1|1,0,0]=3 307 B10R1.4 c1cncc(c1F)CCN AB55177 [0,1,0,0,0,1|1,0,0]=3 308 B10R1.10 CCCc1ccnc(c1)N AB03633 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.10 Cc1cc(ccn1)CCN AB55165 [0,1,0,0,0,1|1,0,0]=3 310 B10R1.10 Cc1cc(cnc1)CCN AB55190 [0,1,0,0,0,1|1,0,0]=3 311 B10R1.10 Cc1cc(ncn1)CCN AB64311 [0,1,0,0,0,1|0,0,1]=3 312 B10R1.10 Cc1cccc(n1)CCN AB17067 [0,1,0,0,0,1|1,0,1]=4 313 B10R1.10 Cc1ccnc(n1)CCN AB59280 [0,1,0,0,0,1|1,0,1]=4 314 B10R1.10 c1c(cncc1Br)CCN AB41071 [0,1,0,0,0,1|1,0,0]=3 315 B10R1.10 c1c(cncc1Br)CNN PB37854 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.10 c1c(cncc1Cl)CCN AB67621 [0,1,0,0,0,1|1,0,0]=3 317 B10R1.10 c1c(cncc1F)CCN AB55166 [0,1,0,0,0,1|1,0,0]=3 318 B10R1.10 c1c(cncc1N)CCN AB67760 [0,1,0,0,0,1|1,0,0]=3 319 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [0,1,0,0,0,1|0,0,1]=3 320 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [0,1,0,0,0,1|0,0,1]=3 321 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [0,1,0,0,0,1|1,0,1]=4 325 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [0,1,0,0,0,1|1,0,1]=4 326 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [0,1,0,0,0,1|1,0,1]=4 327 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [0,1,0,0,0,1|1,0,1]=4 328 B10R1.10 c1cnc(cc1Br)CCN AB55853 [0,1,0,0,0,1|1,0,1]=4 329 B10R1.10 c1cnc(cc1CCBr)F AB72866 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.10 c1cnc(cc1CCN)Br AB45468 [0,1,0,0,0,1|1,0,0]=3 331 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [0,1,0,0,0,1|1,0,0]=3 332 B10R1.10 c1cnc(cc1CCN)F AB55184 [0,1,0,0,0,1|1,0,0]=3 333 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [0,1,0,0,0,1|1,0,1]=4 334 B10R1.10 c1cnc(cc1F)CCN AB55195 [0,1,0,0,0,1|1,0,1]=4 335 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [0,1,0,0,0,1|0,0,1]=3 336 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [0,1,0,0,0,1|1,0,1]=4 337 B10R1.10 c1cnc(nc1N)CCN AB59298 [0,1,0,0,0,1|1,0,1]=4 338 B10R1.10 c1cnc(nc1O)CCN AB59283 [0,1,0,0,0,1|1,0,1]=4 339 B10R1.15 CCC(c1cnccn1)N PB31632 [0,1,0,0,0,1|1,0,1]=4 340 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,1,0,0,0,1|2,0,0]=4 342 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,1,0,0,0,1|2,0,0]=4 343 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,1,0,0,0,1|1,0,0]=3 344 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.17 CNCCc1cccnc1 AB10676 [0,1,0,0,0,1|1,0,0]=3 346 B10R1.17 CNCCc1ccncc1 AB02055 [0,1,0,0,0,1|1,0,0]=3 347 B10R1.17 c1c(cncn1)CCC=O AB57646 [0,1,0,0,0,1|1,0,1]=4 348 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.17 c1cc(cnc1)CCCN AB54556 [0,1,0,0,0,1|1,0,0]=3 350 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.17 c1ccnc(c1)CCCN AB30458 [0,1,0,0,0,1|1,0,1]=4 352 B10R1.17 c1ccnc(c1)OCCN AB03271 [0,1,0,0,0,1|1,0,1]=4 353 B10R1.17 c1cnc(cn1)CCC=O AB57652 [0,1,0,0,0,1|1,0,1]=4 354 B10R1.17 c1cnc(nc1)NCCN AB49586 [0,1,0,0,0,1|1,0,1]=4 355 B10R1.17 c1cnccc1CCC=O AB49299 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.17 c1cnccc1CCCN AB43583 [0,1,0,0,0,1|1,0,0]=3 357 B10R1.17 c1cncnc1CCC=O AB57649 [0,1,0,0,0,1|1,0,1]=4 358 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,1,0,0,0,1|1,0,1]=4 359 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,1,0,0,0,1|1,0,0]=3 360 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,1,0,0,0,1|1,0,0]=3 361 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,1,0,0,0,1|0,0,1]=3 362 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.94 Cc1ncc(n1C)CCN AB70527 [0,2,0,0,0,0|0,0,0]=2 365 B10R1.96 CCc1[nH]c(nn1)CCN AB57487 [0,2,0,0,0,0|1,0,0]=3 366 B10R1.96 CCc1nc(on1)CCN AB55637 [0,2,0,0,0,0|1,0,1]=4 367 B10R1.96 CCc1nnc(o1)CCN AB54543 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.130 Cc1c(cn(n1)C)CCN AB45472 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.130 Cc1cc(n(n1)C)CCN AB45436 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.281 CC(C)(CC1=NC=NC1)N AB77407 [0,2,0,0,0,0|0,0,2]=4 371 B10R1.281 CC(C)(Cc1[nH]ccn1)N AB77403 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.281 CC(C)(Cc1nnco1)N AB77413 [0,2,0,0,0,0|2,0,0]=4 373 B8R1.2 c1c(cncn1)CN PB26277 [0,0,1,1,0,0|0,0,2]=4 374 B8R1.2 c1cc(cnc1)CN AB00752 [0,0,1,1,0,0|1,0,1]=4 375 B8R1.2 c1cnccc1CN AB00767 [0,0,1,1,0,0|1,0,1]=4 376 B8R1.2 c1cncnc1CN PB10439 [0,0,1,1,0,0|0,0,2]=4 377 B8R1.5 C1=NC(C(=O)N=C1)N AB51505 [0,0,1,1,0,0|2,0,0]=4 378 B8R1.5 c1cnc(c(n1)N)N PB10452 [0,0,1,1,0,0|1,0,1]=4 379 B8R1.4 c1c(cncc1N)N AB07746 [0,0,1,1,0,0|0,0,2]=4 380 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [0,0,0,1,0,1|0,0,1]=3 381 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,0,0,1,0,1|1,0,0]=3 382 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [0,0,0,1,0,1|0,0,1]=3 383 B10R2.2 C1Cc2c(oc(n2)N)C1 AB44260 [0,1,0,1,0,0|2,0,0]=4 384 B10R2.2 C1Cc2c(sc(n2)N)C1 AB01558 [0,1,0,1,0,0|2,0,0]=4 385 B10R2.2 Cc1[nH]c2c(n1)CNC2 AB27313 [0,1,0,1,0,0|2,0,0]=4 386 B10R2.136 C1C(CN1)c2[nH]nnn2 PB23101 [0,1,0,1,0,0|2,0,0]=4 387 B10R2.136 C1C(CN1)c2[nH]nnn2 PB32022 [0,1,0,1,0,0|2,0,0]=4