0 B9R1.33 CC1=NC=NC1CCN AB45417 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.33 Cc1c(non1)CNC AB27939 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.33 Cc1c(scn1)CC=O AB24882 [0,0,0,0,0,0|0,0,2]=2 3 B9R1.33 Cc1c(scn1)CCBr AB76661 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.33 Cc1c(scn1)CCCl AB07565 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.33 Cc1c(scn1)CCN AB43197 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.33 Cc1c(scn1)CCO AB00407 [0,0,0,0,0,0|0,0,0]=0 7 B9R1.33 Cn1ccnc1CCN AB26757 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 C(CO)c1[nH]nnn1 AB16834 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.8 C1=NC=NC1CCO PB21680 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.8 C1=NN=CC1CCO AB14476 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.8 CNCc1cccs1 AB13997 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 CNCc1cncs1 AB27956 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.8 c1[nH]c(nn1)CCN AB39245 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.8 c1[nH]c(nn1)CCN AB57486 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.8 c1c(con1)CCN AB28074 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 c1c(con1)CCO AB22774 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.8 c1c(ncs1)CCN AB45423 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.8 c1cc(sc1)CCN PB12982 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.8 c1cc(sc1)CCO PB32074 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.8 c1cc(sc1)CNN PB12479 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.8 c1cn(cn1)CCN AB13191 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.8 c1cn(nn1)CCO AB16637 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.8 c1csc(n1)CCN AB28436 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.8 c1csc(n1)CCN AB43209 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.8 c1cscc1CCN PB24618 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.8 c1cscc1CCO PB25903 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.8 c1ncn(n1)CCBr AB15840 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.8 c1ncn(n1)CCN AB09728 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.8 c1nnc(o1)CCN AB57621 [1,0,0,0,0,0|2,1,0]=4 30 B8R1.8 c1nnc(s1)CCN PB27207 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.8 c1nncn1CCO AB13932 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.11 CC1=NC=NC1CCl AB76255 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.11 CCC1=C(N=NC1)N AB29672 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.11 Cc1c(ccs1)CCl AB76281 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.11 Cc1c(con1)CN MB06775 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.11 Cc1c(nco1)CCl AB71571 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.11 Cc1c(nco1)CN AB68727 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.11 Cc1c(ncs1)CCl AB76286 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.11 Cc1c(ncs1)CO AB44114 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.11 Cc1c(non1)CN AB28419 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.11 Cc1c(ocn1)CCl MB08890 [1,0,0,0,0,0|1,1,0]=3 42 B8R1.11 Cc1c(ocn1)CO MB03682 [1,0,0,0,0,0|0,1,0]=2 43 B8R1.11 Cc1c(scn1)C=O CB10986 [1,0,0,0,0,0|0,0,2]=3 44 B8R1.11 Cc1c(scn1)CCl AB43190 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.11 Cc1c(scn1)CN AB43198 [1,0,0,0,0,0|1,0,0]=2 46 B8R1.11 Cn1c(ccn1)CN PB24806 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.11 Cn1c(ccn1)CO PB14601 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.11 Cn1c(ncn1)CCl MB07932 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.11 Cn1c(ncn1)CN AB25054 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.11 Cn1c(ncn1)CO AB27921 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.11 c1csc(c1Br)CN PB34113 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.11 c1csc(c1Br)CO PB27714 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.11 c1csc(c1Cl)CN PB11803 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.11 c1csc(c1Cl)CO PB23440 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.5 CCCn1c(ncn1)CO AB28082 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.64 Cc1c(scn1)CC(=O)O AB09733 [0,1,0,0,0,0|0,0,1]=2 57 B10R1.130 Cc1c(cn(n1)C)CCN AB45472 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.130 Cc1cc(n(n1)C)CCN AB45436 [0,1,0,0,0,0|3,0,0]=4 59 B10R2.7 C1CCC2=NCC=C2C1 CB10084 [0,0,0,1,0,0|2,0,1]=4 60 B10R2.7 C1CNCC2=NCC=C21 AB76717 [0,0,0,1,0,0|2,0,1]=4 61 B10R2.7 C1COCC2=NN=CC21 AB77191 [0,0,0,1,0,0|2,0,1]=4 62 B10R2.7 C1COCC2=NN=NC21 AB74082 [0,0,0,1,0,0|2,0,1]=4 63 B10R2.7 c1[nH]c2c(n1)CCNC2 AB46090 [0,0,0,1,0,0|2,0,1]=4 64 B10R2.7 c1[nH]c2c(n1)CCOC2 AB74074 [0,0,0,1,0,0|1,0,1]=3 65 B10R2.7 c1[nH]c2c(n1)CNCC2 MB01284 [0,0,0,1,0,0|2,0,0]=3 66 B10R2.7 c1[nH]c2c(n1)COCC2 AB73446 [0,0,0,1,0,0|1,0,0]=2 67 B10R2.7 c1cn2c(n1)CCCC2 AB64837 [0,0,0,1,0,0|3,0,0]=4 68 B10R2.7 c1cn2c(n1)CNCC2 PB22321 [0,0,0,1,0,0|3,0,0]=4 69 B10R2.7 c1coc2c1CCNC2 AB52640 [0,0,0,1,0,0|3,0,0]=4 70 B10R2.7 c1coc2c1CNCC2 AB52634 [0,0,0,1,0,0|2,1,0]=4 71 B10R2.7 c1csc2c1CCNC2 PB17573 [0,0,0,1,0,0|3,0,0]=4 72 B10R2.7 c1csc2c1CNCC2 PB20074 [0,0,0,1,0,0|2,0,0]=3 73 B10R2.7 c1nc2c(o1)CCNC2 AB61493 [0,0,0,1,0,0|1,1,0]=3 74 B10R2.7 c1nc2c(s1)CCNC2 AB85226 [0,0,0,1,0,0|1,0,0]=2 75 B10R2.7 c1nc2c(s1)CNCC2 AB62822 [0,0,0,1,0,0|2,0,0]=3 76 B10R2.7 c1nc2n(n1)CCNC2 AB53251 [0,0,0,1,0,0|3,0,0]=4 77 B10R2.7 c1nc2n(n1)CNCC2 AB53435 [0,0,0,1,0,0|3,0,0]=4 78 B10R1.4 CCCc1cncnc1Cl AB55649 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.4 Cc1c(cccn1)CCN AB66943 [0,0,0,0,0,1|2,0,0]=3 80 B10R1.4 Cc1c(cccn1)CNC AB66889 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.4 Cc1cccnc1CCN AB31462 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.4 Cc1ccncc1CCN AB55157 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.4 c1cc(c(nc1)Br)CCN AB45464 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.4 c1cc(c(nc1)CCO)F AB55231 [0,0,0,0,0,1|3,0,0]=4 85 B10R1.4 c1cc(c(nc1)Cl)CCN AB45428 [0,0,0,0,0,1|3,0,0]=4 86 B10R1.10 CCCc1ccnc(c1)N AB03633 [0,0,0,0,0,1|3,0,0]=4 87 B10R1.10 Cc1cc(ccn1)CCN AB55165 [0,0,0,0,0,1|2,0,0]=3 88 B10R1.10 Cc1cc(ccn1)CNC AB53841 [0,0,0,0,0,1|3,0,0]=4 89 B10R1.10 Cc1cc(ccn1)\C=N\O AB72010 [0,0,0,0,0,1|2,0,1]=4 90 B10R1.10 Cc1cc(ncn1)CCN AB64311 [0,0,0,0,0,1|2,0,0]=3 91 B10R1.10 Cc1cccc(n1)CCN AB17067 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.10 Cc1ccnc(n1)CCN AB59280 [0,0,0,0,0,1|3,0,0]=4 93 B10R1.10 c1c(ncnc1Cl)CCN AB51553 [0,0,0,0,0,1|3,0,0]=4 94 B10R1.10 c1cc(nc(c1)Br)CCO CB11431 [0,0,0,0,0,1|3,0,0]=4 95 B10R1.10 c1cc(nc(c1)F)CCO AB55227 [0,0,0,0,0,1|3,0,0]=4 96 B10R1.10 c1cnc(cc1CCBr)F AB72866 [0,0,0,0,0,1|3,0,0]=4 97 B10R1.10 c1cnc(cc1CCN)Br AB45468 [0,0,0,0,0,1|3,0,0]=4 98 B10R1.10 c1cnc(cc1CCN)Cl AB45448 [0,0,0,0,0,1|3,0,0]=4 99 B10R1.10 c1cnc(cc1CCN)F AB55184 [0,0,0,0,0,1|3,0,0]=4 100 B10R1.10 c1cnc(nc1CCN)Cl AB76813 [0,0,0,0,0,1|3,0,0]=4 101 B7R1.1 C1=NC=NC1CO PB24669 [2,0,0,0,0,0|1,0,1]=4 102 B7R1.1 CCC1=CN=CC1 AB31265 [2,0,0,0,0,0|1,0,0]=3 103 B7R1.1 CCC1=NN=CC1 AB65715 [2,0,0,0,0,0|2,0,0]=4 104 B7R1.1 CCn1cncn1 AB31524 [2,0,0,0,0,0|2,0,0]=4 105 B7R1.1 c1c(con1)CO PB14463 [2,0,0,0,0,0|2,0,0]=4 106 B7R1.1 c1c(nco1)CO PB29559 [2,0,0,0,0,0|2,0,0]=4 107 B7R1.1 c1c(ncs1)CO AB20478 [2,0,0,0,0,0|2,0,0]=4 108 B7R1.1 c1c(ocn1)CCl AB42450 [2,0,0,0,0,0|1,1,0]=4 109 B7R1.1 c1c(ocn1)CN AB30442 [2,0,0,0,0,0|1,1,0]=4 110 B7R1.1 c1c(ocn1)CO PB32681 [2,0,0,0,0,0|0,1,0]=3 111 B7R1.1 c1c(scn1)C=O AB11293 [2,0,0,0,0,0|0,0,2]=4 112 B7R1.1 c1c(scn1)CCl AB64977 [2,0,0,0,0,0|1,0,0]=3 113 B7R1.1 c1c(scn1)CN AB27929 [2,0,0,0,0,0|1,0,0]=3 114 B7R1.1 c1c(scn1)CN PB32316 [2,0,0,0,0,0|1,0,0]=3 115 B7R1.1 c1c(scn1)CO AB20492 [2,0,0,0,0,0|0,0,0]=2 116 B7R1.1 c1cc(sc1)CN PB17027 [2,0,0,0,0,0|2,0,0]=4 117 B7R1.1 c1cc(sc1)CO PB10001 [2,0,0,0,0,0|1,0,0]=3 118 B7R1.1 c1cnoc1CO AB28102 [2,0,0,0,0,0|2,0,0]=4 119 B7R1.1 c1cscc1CO PB10036 [2,0,0,0,0,0|2,0,0]=4 120 B7R1.1 c1nnc(s1)CN PB21876 [2,0,0,0,0,0|2,0,0]=4 121 B7R1.1 c1nnc(s1)CO PB21867 [2,0,0,0,0,0|1,0,0]=3 122 B7R1.4 CC1C(=NC=N1)C AB09621 [2,0,0,0,0,0|1,0,1]=4 123 B7R1.4 Cc1c(nco1)N MB11380 [2,0,0,0,0,0|1,1,0]=4 124 B7R1.4 Cc1c(ocn1)C AB63543 [2,0,0,0,0,0|0,1,0]=3 125 B7R1.4 Cc1c(ocn1)N MB11381 [2,0,0,0,0,0|1,1,0]=4 126 B7R1.4 Cc1ccsc1Br PB25943 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.7 Cc1[nH]c(cn1)CCN AB76713 [1,1,0,0,0,0|2,0,0]=4 128 B9R1.7 c1cc(sc1CCN)Br AB18531 [1,1,0,0,0,0|2,0,0]=4 129 B9R1.7 c1cc(sc1CCN)Cl MB05588 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.11 c1cc(sc1)C(CO)N PB33213 [1,1,0,0,0,0|1,0,0]=3 131 B9R1.12 CNCCc1cccs1 AB18501 [1,1,0,0,0,0|2,0,0]=4 132 B9R1.13 c1cc(sc1)CC(=O)O PB27359 [1,1,0,0,0,0|1,0,1]=4 133 B9R1.14 c1nc(c(s1)CBr)C#N AB85278 [1,1,0,0,0,0|1,0,1]=4 134 B9R1.22 Cc1c(cn(n1)C)CO AB11625 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.22 Cc1c(nc(s1)C)CO AB62860 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.22 Cc1c(oc(n1)C)CO MB08849 [1,1,0,0,0,0|0,1,0]=3 137 B9R1.22 Cc1c(oc(n1)Cl)CCl AB71592 [1,1,0,0,0,0|1,1,0]=4 138 B9R1.22 Cc1c(oc(n1)Cl)CN AB72279 [1,1,0,0,0,0|1,1,0]=4 139 B9R1.22 Cc1c(sc(n1)C)CN MB08333 [1,1,0,0,0,0|1,0,0]=3 140 B9R1.22 Cc1cc(n(n1)C)CO PB29211 [1,1,0,0,0,0|2,0,0]=4 141 B9R1.41 B(c1c(ccs1)C)(O)O AB05348 [1,1,0,0,0,0|2,0,0]=4 142 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [1,1,0,0,0,0|0,1,1]=4 143 B9R1.41 Cc1c(scn1)C(=O)Cl CB11506 [1,1,0,0,0,0|0,0,2]=4 144 B9R1.41 Cc1ccsc1C(=O)O AB00421 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.13 Cc1c(ccnc1Cl)CCN AB83367 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.13 Cc1c(ccnc1F)CCN AB82857 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.13 Cc1c(nccc1CCN)C AB82525 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.17 Cc1c(cccn1)CCCN AB66944 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.41 COc1c(cccn1)CCN AB45444 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.41 COc1cnccc1CCN AB67567 [0,1,0,0,0,1|2,0,0]=4 151 B11R1.81 Cc1c(ccc(n1)Cl)CCN AB85389 [0,1,0,0,0,1|2,0,0]=4 152 B11R1.182 Cc1cc(c(cn1)C)CCN AB82532 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.182 Cc1cc(c(nc1)C)CCN AB82544 [0,1,0,0,0,1|2,0,0]=4 154 B11R1.182 Cc1cnc(cc1CCN)Cl AB83226 [0,1,0,0,0,1|2,0,0]=4 155 B11R1.182 Cc1cnc(cc1CCN)F AB82871 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.605 Cc1c(c(ccn1)Cl)CCN AB83338 [0,1,0,0,0,1|2,0,0]=4 157 B11R1.605 Cc1c(c(ccn1)F)CCN AB83021 [0,1,0,0,0,1|2,0,0]=4 158 B11R1.605 Cc1ccnc(c1CCN)C AB82522 [0,1,0,0,0,1|2,0,0]=4 159 B11R1.605 Cc1cncc(c1CCN)C AB76699 [0,1,0,0,0,1|2,0,0]=4 160 B11R1.605 Cc1cncc(c1CCN)Cl AB83254 [0,1,0,0,0,1|2,0,0]=4 161 B11R1.605 Cc1cncc(c1CCN)F AB82916 [0,1,0,0,0,1|2,0,0]=4 162 B11R1.24 Cc1cc(ccn1)CCCN AB55133 [0,1,0,0,0,1|2,0,0]=4 163 B11R1.34 Cc1cc(cc(n1)Br)CCN AB82300 [0,1,0,0,0,1|2,0,0]=4 164 B11R1.34 Cc1cc(cc(n1)C)CCN AB54501 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.34 Cc1cc(cc(n1)Cl)CCN AB82280 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.34 Cc1cc(cc(n1)F)CCN AB82256 [0,1,0,0,0,1|2,0,0]=4 167 B11R1.34 Cc1cc(cc(n1)I)CCN AB82317 [0,1,0,0,0,1|2,0,0]=4 168 B11R1.34 Cc1cc(cc(n1)N)CCN AB82360 [0,1,0,0,0,1|2,0,0]=4 169 B11R1.34 Cc1cc(cc(n1)O)CCN AB82370 [0,1,0,0,0,1|2,0,0]=4 170 B11R1.34 Cc1cc(nc(n1)Cl)CCN AB76812 [0,1,0,0,0,1|2,0,0]=4 171 B11R1.34 Cc1nc(cc(n1)Cl)CCN AB77447 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.189 COc1cc(ccn1)CCN AB60206 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.189 COc1cc(ncn1)CCN AB76655 [0,1,0,0,0,1|2,0,0]=4 174 B11R1.189 COc1nccc(n1)CCN AB77444 [0,1,0,0,0,1|2,0,0]=4 175 B11R1.645 Cc1c(sc(n1)C)CC(=O)O AB09737 [0,2,0,0,0,0|0,0,1]=3 176 B9R1.2 Cc1cc(ncn1)CO PB11190 [0,0,1,1,0,0|1,0,1]=4 177 B11R2.20 c1c2c(ncn1)CCNC2 AB51364 [0,0,0,1,0,1|2,0,0]=4 178 B11R2.20 c1c2c(ncn1)CCNC2 PB13144 [0,0,0,1,0,1|2,0,0]=4 179 B11R2.20 c1c2c(ncn1)CNCC2 AB48465 [0,0,0,1,0,1|2,0,0]=4 180 B11R2.20 c1c2c(ncn1)CNCC2 PB35202 [0,0,0,1,0,1|2,0,0]=4 181 B11R2.20 c1cc2c(nc1)CNCC2 PB14621 [0,0,0,1,0,1|2,0,0]=4 182 B11R2.20 c1cnc2c(n1)CCNC2 AB62883 [0,0,0,1,0,1|2,0,0]=4 183 B11R2.20 c1cncc2c1CCNC2 PB10616 [0,0,0,1,0,1|2,0,0]=4 184 B11R2.18 c1csc2c1NCCCC2 AB43874 [0,1,0,1,0,0|2,0,0]=4 185 B11R2.1 Cn1cnc2c1CCNC2 AB08229 [0,1,0,1,0,0|2,0,0]=4