0 B8R1.8 C#CCn1ccnc1 AB25329 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.8 C1=NC=NC1CCO PB21680 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.8 C1=NN=CC1CCN AB30567 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.8 C1=NN=CC1CCO AB14476 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.8 C1C=C(N=N1)CCN AB60568 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.8 C1C=NC(=N1)CCN AB11463 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 C1N=CC=[N+]1CCN AB72185 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.8 CNCc1cccs1 AB13997 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 CNCc1ccno1 AB27949 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 CNCc1ccon1 AB27911 [0,0,0,0,0,0|3,1,0]=4 10 B8R1.8 CNCc1ccon1 AB27912 [0,0,0,0,0,0|3,1,0]=4 11 B8R1.8 CNCc1cncs1 AB27956 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 CNCc1cnsc1 AB74097 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 CNCc1cocn1 AB63386 [0,0,0,0,0,0|3,1,0]=4 14 B8R1.8 CNCc1cscn1 AB27945 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.8 CNCc1cscn1 AB27947 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 c1[nH]c(nn1)CCN AB39245 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 c1[nH]c(nn1)CCN AB57486 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.8 c1c(con1)CCN AB28074 [0,0,0,0,0,0|1,1,0]=2 19 B8R1.8 c1c(con1)CCO AB22774 [0,0,0,0,0,0|2,1,0]=3 20 B8R1.8 c1c(ncs1)CCN AB45423 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.8 c1cc(sc1)CCN PB12982 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.8 c1cc(sc1)CCO PB32074 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.8 c1cc(sc1)CNN PB12479 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.8 c1ccn(c1)CCBr MB00850 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.8 c1cn(cn1)CCN AB13191 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.8 c1cn(nn1)CCBr AB64262 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.8 c1cn(nn1)CCCl AB64265 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.8 c1cn(nn1)CCN AB28528 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.8 c1cn(nn1)CCO AB16637 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.8 c1cnn(c1)CCN AB15836 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.8 c1cocc1N=C=O AB55259 [0,0,0,0,0,0|2,1,1]=4 32 B8R1.8 c1csc(n1)CCN AB28436 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.8 c1csc(n1)CCN AB43209 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.8 c1cscc1CC#N PB19846 [0,0,0,0,0,0|0,0,2]=2 35 B8R1.8 c1cscc1CCN PB24618 [0,0,0,0,0,0|0,0,0]=0 36 B8R1.8 c1cscc1CCO PB25903 [0,0,0,0,0,0|1,0,0]=1 37 B8R1.8 c1cscc1CNN PB25191 [0,0,0,0,0,0|1,0,0]=1 38 B8R1.8 c1ncn(n1)CCBr AB15840 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.8 c1ncn(n1)CCN AB09728 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.8 c1nnc(o1)CCN AB57621 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.8 c1nnc(s1)CCN PB27207 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.8 c1nncn1CCO AB13932 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.1 C1=NC=NC1CN AB09180 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.1 C1=NC=NC1CN MB06927 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.1 C1=NN=CC1CN PB32875 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 C1C=C(N=N1)CN AB59768 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 C1C=C(N=N1)CN CB11648 [1,0,0,0,0,0|2,0,1]=4 48 B7R1.1 C1C=C(N=N1)CN PB34098 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 C1C=NC(=N1)CN PB21839 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,0,0,0|1,0,1]=3 51 B7R1.1 CCC1=NN=CC1 AB65715 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.1 CCn1cncn1 AB31524 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 c1[nH]c(nn1)CN AB53782 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.1 c1[nH]nc(n1)CN AB25050 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 c1c(con1)CN AB28201 [1,0,0,0,0,0|1,1,0]=3 56 B7R1.1 c1c(con1)CN PB34298 [1,0,0,0,0,0|1,1,0]=3 57 B7R1.1 c1c(con1)CO PB14463 [1,0,0,0,0,0|2,1,0]=4 58 B7R1.1 c1c(csn1)C=O AB62620 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 c1c(csn1)CCl AB74096 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.1 c1c(csn1)CN AB62615 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.1 c1c(nco1)CCl AB71585 [1,0,0,0,0,0|2,1,0]=4 62 B7R1.1 c1c(nco1)CN PB29323 [1,0,0,0,0,0|1,1,0]=3 63 B7R1.1 c1c(nco1)CO PB29559 [1,0,0,0,0,0|2,1,0]=4 64 B7R1.1 c1c(ncs1)C=O AB06592 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 c1c(ncs1)CCl AB10919 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 c1c(ncs1)CN AB27866 [1,0,0,0,0,0|1,0,0]=2 67 B7R1.1 c1c(ncs1)CN PB21996 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.1 c1c(ncs1)CO AB20478 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.1 c1c(ocn1)CCl AB42450 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 c1c(ocn1)CN AB30442 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 c1c(ocn1)CO PB32681 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 c1c(scn1)CCl AB64977 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 c1c(scn1)CN AB27929 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.1 c1c(scn1)CN PB32316 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.1 c1c(scn1)CO AB20492 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 c1cc(oc1)CCl MB06568 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 c1cc(sc1)CN PB17027 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 c1cc(sc1)CO PB10001 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 c1cnoc1CN AB27950 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 c1cnoc1CN AB27954 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.1 c1cnoc1CO AB28102 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 c1cnsc1CCl AB70841 [1,0,0,0,0,0|3,0,0]=4 83 B7R1.1 c1cnsc1CN AB70840 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 c1coc(n1)CN AB19275 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.1 c1coc(n1)CN AB28202 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 c1conc1CCl MB04274 [1,0,0,0,0,0|2,1,0]=4 87 B7R1.1 c1conc1CN PB24935 [1,0,0,0,0,0|1,1,0]=3 88 B7R1.1 c1conc1CO PB15902 [1,0,0,0,0,0|2,1,0]=4 89 B7R1.1 c1csc(n1)CN MB03193 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.1 c1csc(n1)CN PB20005 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 c1cscc1C#N PB27442 [1,0,0,0,0,0|0,0,2]=3 92 B7R1.1 c1cscc1C=O PB14065 [1,0,0,0,0,0|1,0,1]=3 93 B7R1.1 c1cscc1CN AB13999 [1,0,0,0,0,0|0,0,0]=1 94 B7R1.1 c1cscc1CN PB12237 [1,0,0,0,0,0|0,0,0]=1 95 B7R1.1 c1cscc1CO PB10036 [1,0,0,0,0,0|1,0,0]=2 96 B7R1.1 c1csnc1CN PB23687 [1,0,0,0,0,0|1,0,0]=2 97 B7R1.1 c1nnc(o1)CN AB25336 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.1 c1nnc(s1)CN PB21876 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.7 C1=NC(=NC1Br)CCN AB58063 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.7 CC1=NC(=NC1)CCN AB28221 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.7 Cc1[nH]c(cn1)CCN AB76713 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.7 Cc1[nH]c(nn1)CCN AB28075 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.7 Cc1[nH]c(nn1)CCN AB55812 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.7 Cc1csc(n1)CCN AB21609 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.7 Cc1nc(cs1)CNC AB28276 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.7 Cc1nc(on1)CCN AB55666 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.7 Cc1nnc(o1)CCN AB54542 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.7 Cn1cc(cn1)CCN AB45456 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.7 Cn1cc(nn1)CCN AB57206 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.7 c1c(csc1Cl)CNN PB36540 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.7 c1cc(sc1CCN)Br AB18531 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.7 c1cc(sc1CCN)Cl MB05588 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.7 c1cc(sc1CNN)Cl PB15933 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.11 COC(=O)c1ccsc1 PB18711 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.11 C\C(=N/O)\c1ccsc1 AB55504 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.11 c1c(ncs1)C(=O)NN AB06544 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.11 c1cc(sc1)C(CO)N PB33213 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.11 c1cocc1C(=O)NN MB02283 [0,1,0,0,0,0|1,1,1]=4 119 B9R1.11 c1cscc1C(=O)NN MB01758 [0,1,0,0,0,0|1,0,1]=3 120 B9R1.12 C1=NC=NC1CCCN AB10031 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.12 C1C=NC(=N1)CCCN AB55095 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.12 CNCCc1cccs1 AB18501 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.12 CNCCn1cccn1 AB48422 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.12 c1ccn(c1)CCCBr MB00854 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.12 c1cn(nn1)CCCN AB16646 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.12 c1ncn(n1)CCCN AB15838 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.13 CC(=O)Nc1ccsc1 AB04169 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.13 c1cscc1CC(=O)O PB28939 [0,1,0,0,0,0|1,0,1]=3 129 B9R1.33 CC1=NC=NC1CCN AB45417 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.33 Cc1c(scn1)CCBr AB76661 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.33 Cc1c(scn1)CCCl AB07565 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.33 Cc1c(scn1)CCN AB43197 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.33 Cc1c(scn1)CCO AB00407 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.33 Cn1ccnc1CCN AB26757 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.8 C#CCc1ccccn1 AB73234 [0,0,0,0,0,1|2,0,1]=4 136 B9R1.8 C#CCc1cccnc1 AB61408 [0,0,0,0,0,1|2,0,1]=4 137 B9R1.8 CNCc1ccccn1 AB10674 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.8 CNCc1cccnc1 AB01384 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.8 CNCc1ccncc1 AB02721 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.8 CNCc1ccnnc1 PB24326 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.8 CNCc1cnccn1 PB18749 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.8 CNCc1cncnc1 PB33284 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.8 c1c(cncn1)CC#N PB22350 [0,0,0,0,0,1|1,0,2]=4 144 B9R1.8 c1c(cncn1)CC=O AB57639 [0,0,0,0,0,1|2,0,1]=4 145 B9R1.8 c1c(cncn1)CCN AB45406 [0,0,0,0,0,1|1,0,0]=2 146 B9R1.8 c1c(cncn1)CNN PB19654 [0,0,0,0,0,1|2,0,0]=3 147 B9R1.8 c1cc(cnc1)CCN AB04606 [0,0,0,0,0,1|1,0,0]=2 148 B9R1.8 c1cc(cnc1)CNN PB16271 [0,0,0,0,0,1|2,0,0]=3 149 B9R1.8 c1cc(nnc1)CCN AB61130 [0,0,0,0,0,1|2,0,0]=3 150 B9R1.8 c1cc(nnc1)CNN PB37174 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.8 c1ccnc(c1)CC#N AB00727 [0,0,0,0,0,1|1,0,2]=4 152 B9R1.8 c1ccnc(c1)CC=O AB61426 [0,0,0,0,0,1|2,0,1]=4 153 B9R1.8 c1ccnc(c1)CCN AB00732 [0,0,0,0,0,1|1,0,0]=2 154 B9R1.8 c1ccnc(c1)CNN PB19014 [0,0,0,0,0,1|2,0,0]=3 155 B9R1.8 c1cnc(cn1)CC#N PB16294 [0,0,0,0,0,1|1,0,2]=4 156 B9R1.8 c1cnc(cn1)CC=O AB57650 [0,0,0,0,0,1|2,0,1]=4 157 B9R1.8 c1cnc(cn1)CCN AB22666 [0,0,0,0,0,1|1,0,0]=2 158 B9R1.8 c1cnc(cn1)CNN PB20222 [0,0,0,0,0,1|2,0,0]=3 159 B9R1.8 c1cnc(nc1)CCN AB55156 [0,0,0,0,0,1|2,0,0]=3 160 B9R1.8 c1cnc(nc1)CNN PB21406 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.8 c1cnccc1CCN AB01702 [0,0,0,0,0,1|1,0,0]=2 162 B9R1.8 c1cnccc1CNN PB10342 [0,0,0,0,0,1|2,0,0]=3 163 B9R1.8 c1cncnc1CC#N PB22811 [0,0,0,0,0,1|1,0,2]=4 164 B9R1.8 c1cncnc1CC=O AB57648 [0,0,0,0,0,1|2,0,1]=4 165 B9R1.8 c1cncnc1CCN PB14818 [0,0,0,0,0,1|1,0,0]=2 166 B9R1.8 c1cnncc1CC#N PB25603 [0,0,0,0,0,1|1,0,2]=4 167 B9R1.8 c1cnncc1CCN AB62610 [0,0,0,0,0,1|1,0,0]=2 168 B9R1.8 c1cnncc1CNN PB35490 [0,0,0,0,0,1|2,0,0]=3 169 B6R1.2 CC1=CN=CC1 PB12076 [2,0,0,0,0,0|1,0,1]=4 170 B6R1.2 Cc1ccon1 AB01288 [2,0,0,0,0,0|1,1,0]=4 171 B6R1.2 Cc1cocn1 AB63545 [2,0,0,0,0,0|1,1,0]=4 172 B6R1.2 c1c(con1)N AB43605 [2,0,0,0,0,0|1,1,0]=4 173 B6R1.2 c1c(csn1)Br AB25618 [2,0,0,0,0,0|2,0,0]=4 174 B6R1.2 c1c(csn1)N AB11898 [2,0,0,0,0,0|1,0,0]=3 175 B6R1.2 c1c(nco1)N AB65031 [2,0,0,0,0,0|1,1,0]=4 176 B6R1.2 c1c(ocn1)N MB10132 [2,0,0,0,0,0|2,0,0]=4 177 B6R1.2 c1cc(sc1)N AB08372 [2,0,0,0,0,0|2,0,0]=4 178 B6R1.2 c1ccn(c1)N PB33802 [2,0,0,0,0,0|2,0,0]=4 179 B6R1.2 c1cn(cn1)N AB53511 [2,0,0,0,0,0|2,0,0]=4 180 B6R1.2 c1cnoc1N MB00706 [2,0,0,0,0,0|2,0,0]=4 181 B6R1.2 c1conc1N PB33787 [2,0,0,0,0,0|1,1,0]=4 182 B6R1.2 c1cscc1N MB09694 [2,0,0,0,0,0|0,0,0]=2 183 B6R1.2 c1cscc1N PB23357 [2,0,0,0,0,0|0,0,0]=2 184 B8R1.1 C#Cc1cc(sc1)Cl PB33622 [1,1,0,0,0,0|0,0,2]=4 185 B8R1.1 CCc1cnc(o1)N AB64704 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.1 Cc1[nH]c(cn1)CN AB57919 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.1 Cc1cc(no1)CN AB06189 [1,1,0,0,0,0|1,1,0]=4 188 B8R1.1 Cc1cc(oc1)CN PB24200 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.1 Cc1cc(on1)CN AB28053 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.1 Cc1cc(sc1)CN AB25763 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.1 Cc1ccc(s1)CN AB07827 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.1 Cc1nc(co1)CN AB54740 [1,1,0,0,0,0|1,1,0]=4 193 B8R1.1 Cc1nc(cs1)CCl AB02129 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.1 Cc1nc(cs1)CN AB23320 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.1 Cc1ncc(o1)CN AB64071 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.1 Cn1cc(cn1)CN PB29175 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.1 Cn1cc(nc1)CN PB10356 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.1 Cn1ccc(c1)CN AB48514 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.1 Cn1ccc(c1)CO AB09760 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.1 Cn1ccc(n1)CN PB29254 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.1 c1c(csc1Br)C#N PB13420 [1,1,0,0,0,0|0,0,2]=4 202 B8R1.1 c1c(csc1Br)C=O PB31345 [1,1,0,0,0,0|1,0,1]=4 203 B8R1.1 c1c(csc1Br)CN PB32960 [1,1,0,0,0,0|0,0,0]=2 204 B8R1.1 c1c(csc1CN)Br PB27838 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.1 c1c(csc1CN)Cl PB16734 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.1 c1c(csc1Cl)C#N PB27087 [1,1,0,0,0,0|0,0,2]=4 207 B8R1.1 c1c(csc1Cl)C=O PB18241 [1,1,0,0,0,0|1,0,1]=4 208 B8R1.1 c1c(csc1Cl)CN PB15278 [1,1,0,0,0,0|0,0,0]=2 209 B8R1.1 c1c(csc1Cl)CO PB13604 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.1 c1c(nc(o1)Cl)CN AB72277 [1,1,0,0,0,0|1,1,0]=4 211 B8R1.1 c1c(nc(s1)Br)CCl AB50547 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.1 c1c(nc(s1)N)CCl AB01560 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.1 c1c(nc(s1)N)CCl PB33908 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.1 c1c(onc1Br)CN AB11464 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.1 c1c(onc1O)CN MB00477 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.1 c1c(sc(n1)Br)CN AB49802 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.1 c1cc(sc1CN)Br PB24892 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.1 c1cc(sc1CN)Cl PB22134 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.1 c1cc(sc1CN)F PB33422 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.7 B(c1ccsc1)(O)O PB18451 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.7 CC(=O)c1ccsc1 PB17033 [1,1,0,0,0,0|0,0,1]=3 222 B8R1.7 CC(c1ccno1)N AB27932 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.7 CC(c1ccoc1)N AB27902 [1,1,0,0,0,0|0,1,0]=3 224 B8R1.7 CC(c1ccoc1)N AB66830 [1,1,0,0,0,0|0,1,0]=3 225 B8R1.7 CC(c1cscn1)N AB27900 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.7 c1c(ncs1)C(=O)N AB06564 [1,1,0,0,0,0|1,0,1]=4 227 B8R1.7 c1c(ncs1)C(=S)N AB19864 [1,1,0,0,0,0|1,0,1]=4 228 B8R1.7 c1cscc1C(=O)O PB18386 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.11 Cc1c(ccs1)C#N AB71665 [1,1,0,0,0,0|0,0,2]=4 230 B8R1.11 Cc1c(ccs1)C=O AB53893 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.11 Cc1c(ccs1)CCl AB76281 [1,1,0,0,0,0|1,0,0]=3 232 B8R1.11 Cc1c(con1)CN MB06775 [1,1,0,0,0,0|1,1,0]=4 233 B8R1.11 Cc1c(nco1)CN AB68727 [1,1,0,0,0,0|1,1,0]=4 234 B8R1.11 Cc1c(ncs1)CCl AB76286 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.11 Cc1c(ncs1)CO AB44114 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.11 Cc1c(scn1)CN AB43198 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.11 Cn1c(ccn1)CN PB24806 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.11 Cn1cncc1CN PB24886 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.11 c1c(c(cs1)Br)C#N AB07447 [1,1,0,0,0,0|0,0,2]=4 240 B8R1.11 c1c(c(cs1)Br)C=O AB08778 [1,1,0,0,0,0|1,0,1]=4 241 B8R1.11 c1csc(c1Br)CN PB34113 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.11 c1csc(c1CBr)Br PB14291 [1,1,0,0,0,0|1,0,0]=3 243 B8R1.11 c1csc(c1Cl)CN PB11803 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.1 Cc1ccc(cn1)CCN AB55173 [0,1,0,0,0,1|1,0,0]=3 245 B10R1.1 Cc1ccc(nc1)CCN AB31467 [0,1,0,0,0,1|1,0,0]=3 246 B10R1.1 Cc1cnc(cn1)CCN AB69468 [0,1,0,0,0,1|1,0,0]=3 247 B10R1.1 Cc1cnc(nc1)CCN AB59260 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.1 Cc1ncc(cn1)CCN AB59372 [0,1,0,0,0,1|1,0,0]=3 249 B10R1.1 c1c(cnc(n1)CCN)Cl AB58674 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.1 c1c(cnc(n1)CCN)F AB59267 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.1 c1c(cnc(n1)Cl)CCN AB59374 [0,1,0,0,0,1|1,0,0]=3 252 B10R1.1 c1c(ncc(n1)Cl)CCBr AB69919 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.1 c1c(ncc(n1)Cl)CCN AB69471 [0,1,0,0,0,1|1,0,0]=3 254 B10R1.1 c1cc(ccc1CCBr)N MB02970 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.1 c1cc(ccc1CCN)Br AB00934 [0,1,0,0,0,1|1,0,0]=3 256 B10R1.1 c1cc(ccc1CCN)Cl AB28066 [0,1,0,0,0,1|1,0,0]=3 257 B10R1.1 c1cc(ccc1CCN)F AB03730 [0,1,0,0,0,1|1,0,0]=3 258 B10R1.1 c1cc(ccc1CCN)N AB00936 [0,1,0,0,0,1|1,0,0]=3 259 B10R1.1 c1cc(ccc1CCO)Br AB00280 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.1 c1cc(ccc1CNN)Br PB32548 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.1 c1cc(ccc1CNN)Cl PB29444 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.1 c1cc(ccc1CNN)F PB20964 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.1 c1cc(ncc1Br)CCN PB20258 [0,1,0,0,0,1|1,0,0]=3 264 B10R1.1 c1cc(ncc1Br)CCO PB14792 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.1 c1cc(ncc1CCBr)Br AB72326 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.1 c1cc(ncc1CCBr)Cl AB72323 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.1 c1cc(ncc1CCN)Br AB45460 [0,1,0,0,0,1|1,0,0]=3 268 B10R1.1 c1cc(ncc1CCN)Cl AB45438 [0,1,0,0,0,1|1,0,0]=3 269 B10R1.1 c1cc(ncc1CCN)N AB76809 [0,1,0,0,0,1|1,0,0]=3 270 B10R1.1 c1cc(ncc1Cl)CCN AB65492 [0,1,0,0,0,1|1,0,0]=3 271 B10R1.1 c1cc(ncc1F)CCN AB45484 [0,1,0,0,0,1|1,0,0]=3 272 B10R1.1 c1cc(ncc1N)CCN AB67762 [0,1,0,0,0,1|1,0,0]=3 273 B10R1.1 c1cc(ncc1O)CCN AB67805 [0,1,0,0,0,1|1,0,0]=3 274 B10R1.4 CCCc1cncnc1Cl AB55649 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,1,0,0,0,1|1,0,0]=3 276 B10R1.4 Cc1cccnc1CCN AB31462 [0,1,0,0,0,1|1,0,0]=3 277 B10R1.4 Cc1ccncc1CCN AB55157 [0,1,0,0,0,1|1,0,0]=3 278 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,1,0,0,0,1|1,0,0]=3 279 B10R1.4 c1cc(c(nc1)CCN)Br PB14588 [0,1,0,0,0,1|1,0,0]=3 280 B10R1.4 c1cc(c(nc1)CCN)F AB45483 [0,1,0,0,0,1|1,0,0]=3 281 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [0,1,0,0,0,1|2,0,0]=4 282 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,1,0,0,0,1|1,0,0]=3 283 B10R1.4 c1ccc(c(c1)CCN)N AB22073 [0,1,0,0,0,1|1,0,0]=3 284 B10R1.4 c1ccc(c(c1)CCN)O MB00877 [0,1,0,0,0,1|1,0,0]=3 285 B10R1.4 c1ccc(c(c1)CNN)Br PB27972 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.4 c1ccc(c(c1)CNN)Cl PB29439 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.4 c1ccc(c(c1)CNN)F PB23531 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.4 c1cncc(c1Br)CCN AB45481 [0,1,0,0,0,1|1,0,0]=3 289 B10R1.4 c1cncc(c1Cl)CCN AB68002 [0,1,0,0,0,1|1,0,0]=3 290 B10R1.4 c1cncc(c1F)CCN AB55177 [0,1,0,0,0,1|1,0,0]=3 291 B10R1.10 CCCc1cccc(n1)N AB03673 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.10 CCCc1ccnc(c1)N AB03633 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.10 Cc1cc(ccn1)CCN AB55165 [0,1,0,0,0,1|1,0,0]=3 294 B10R1.10 Cc1cc(cnc1)CCN AB55190 [0,1,0,0,0,1|1,0,0]=3 295 B10R1.10 Cc1cc(ncn1)CCN AB64311 [0,1,0,0,0,1|1,0,0]=3 296 B10R1.10 Cc1cccc(n1)CCN AB17067 [0,1,0,0,0,1|1,0,0]=3 297 B10R1.10 Cc1ccnc(n1)CCN AB59280 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.10 c1c(cncc1Br)CCN AB41071 [0,1,0,0,0,1|1,0,0]=3 299 B10R1.10 c1c(cncc1Br)CNN PB37854 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.10 c1c(cncc1Cl)CCN AB67621 [0,1,0,0,0,1|1,0,0]=3 301 B10R1.10 c1c(cncc1F)CCN AB55166 [0,1,0,0,0,1|1,0,0]=3 302 B10R1.10 c1c(cncc1N)CCN AB67760 [0,1,0,0,0,1|1,0,0]=3 303 B10R1.10 c1c(nc(cn1)Cl)CCN AB69954 [0,1,0,0,0,1|1,0,0]=3 304 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [0,1,0,0,0,1|1,0,0]=3 305 B10R1.10 c1cc(cc(c1)Br)CCN AB08439 [0,1,0,0,0,1|1,0,0]=3 306 B10R1.10 c1cc(cc(c1)Br)CNN PB10474 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.10 c1cc(cc(c1)Cl)CCN AB02072 [0,1,0,0,0,1|1,0,0]=3 308 B10R1.10 c1cc(cc(c1)Cl)CNN PB23504 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.10 c1cc(cc(c1)F)CNN PB22082 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.10 c1cc(cc(c1)N)CCN AB22060 [0,1,0,0,0,1|1,0,0]=3 311 B10R1.10 c1cc(nc(c1)Br)CCN AB45432 [0,1,0,0,0,1|1,0,0]=3 312 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.10 c1cc(nc(c1)Cl)CCN AB67354 [0,1,0,0,0,1|1,0,0]=3 314 B10R1.10 c1cc(nc(c1)F)CCN AB45492 [0,1,0,0,0,1|1,0,0]=3 315 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.10 c1cc(nc(c1)N)CCN AB55667 [0,1,0,0,0,1|1,0,0]=3 317 B10R1.10 c1cnc(cc1Br)CCN AB55853 [0,1,0,0,0,1|1,0,0]=3 318 B10R1.10 c1cnc(cc1CCBr)F AB72866 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.10 c1cnc(cc1CCN)Br AB45468 [0,1,0,0,0,1|1,0,0]=3 320 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [0,1,0,0,0,1|1,0,0]=3 321 B10R1.10 c1cnc(cc1CCN)F AB55184 [0,1,0,0,0,1|1,0,0]=3 322 B10R1.10 c1cnc(cc1Cl)CCN AB65496 [0,1,0,0,0,1|1,0,0]=3 323 B10R1.10 c1cnc(cc1F)CCN AB55195 [0,1,0,0,0,1|1,0,0]=3 324 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [0,1,0,0,0,1|1,0,0]=3 325 B10R1.10 c1cnc(nc1Cl)CCN AB58890 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.10 c1cnc(nc1N)CCN AB59298 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.10 c1cnc(nc1O)CCN AB59283 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.15 CCC(c1cnccn1)N PB31632 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [0,1,0,0,0,1|1,0,0]=3 330 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [0,1,0,0,0,1|1,0,0]=3 331 B10R1.15 c1cc(cnc1)C(CCl)O MB06178 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.15 c1cc(cnc1)C(CN)O AB16395 [0,1,0,0,0,1|1,0,0]=3 333 B10R1.15 c1cc(cnc1)C(CO)N AB12437 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.17 CNCCc1cccnc1 AB10676 [0,1,0,0,0,1|1,0,0]=3 335 B10R1.17 CNCCc1ccncc1 AB02055 [0,1,0,0,0,1|1,0,0]=3 336 B10R1.17 c1c(cncn1)CCC=O AB57646 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.17 c1cc(cnc1)CCCN AB54556 [0,1,0,0,0,1|1,0,0]=3 339 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,1,0,0,0,1|1,0,0]=3 341 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,1,0,0,0,1|2,0,0]=4 342 B10R1.17 c1ccnc(c1)CCCN AB30458 [0,1,0,0,0,1|1,0,0]=3 343 B10R1.17 c1ccnc(c1)CCCO PB12987 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.17 c1ccnc(c1)OCCN AB03271 [0,1,0,0,0,1|1,0,0]=3 345 B10R1.17 c1cnc(cn1)CCC=O AB57652 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.17 c1cnc(nc1)NCCN AB49586 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.17 c1cnccc1CCC=O AB49299 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.17 c1cnccc1CCCN AB43583 [0,1,0,0,0,1|1,0,0]=3 349 B10R1.17 c1cncnc1CCC=O AB57649 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.18 CC(Cc1ccccn1)N AB12969 [0,1,0,0,0,1|1,0,0]=3 351 B10R1.18 CC(Cc1cccnc1)N AB23775 [0,1,0,0,0,1|1,0,0]=3 352 B10R1.18 CC(Cc1ccncc1)N AB28531 [0,1,0,0,0,1|1,0,0]=3 353 B10R1.18 CC(Cc1cnccn1)N AB28467 [0,1,0,0,0,1|1,0,0]=3 354 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [0,1,0,0,0,1|1,0,0]=3 355 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [0,1,0,0,0,1|1,0,0]=3 356 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,1,0,0,0,1|1,0,1]=4 357 B10R1.94 Cc1ncc(n1C)CCN AB70527 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.130 Cc1c(cn(n1)C)CCN AB45472 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.130 Cc1cc(n(n1)C)CCN AB45436 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.11 c1cscc1C(=O)CC#N PB12090 [0,2,0,0,0,0|0,0,2]=4 361 B10R1.23 c1cscc1C(C(=O)O)N AB12428 [0,2,0,0,0,0|1,0,1]=4 362 B10R1.23 c1cscc1C(C(=O)O)N CB10205 [0,2,0,0,0,0|1,0,1]=4 363 B10R1.27 COC(=O)Cc1ccsc1 PB15626 [0,2,0,0,0,0|1,0,1]=4 364 B8R1.2 c1cc(cnc1)CN AB00752 [0,0,1,1,0,0|1,0,1]=4 365 B8R1.2 c1cnccc1CN AB00767 [0,0,1,1,0,0|1,0,1]=4 366 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [0,0,0,1,0,1|1,0,0]=3 367 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,0,0,1,0,1|1,0,0]=3 368 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [0,0,0,1,0,1|2,0,0]=4 369 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [0,0,0,1,0,1|1,0,0]=3 370 B10R2.2 C1Cc2c(sc(n2)N)C1 AB01558 [0,1,0,1,0,0|2,0,0]=4 371 B10R2.14 c1c(nc(s1)N)C2CC2 AB09279 [0,1,0,1,0,0|2,0,0]=4