0 B7R1.4 C1=NC=C(C1F)F AB51492 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 CC1=C(C=NC1)C PB27606 [0,0,0,0,0,0|1,0,1]=2 2 B7R1.4 CC1=C(N=NC1)Br PB11022 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.4 CC1=C(N=NC1)N AB44283 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.4 CC1=C(N=NC1)N AB72239 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.4 CC1=NN=CC1Br CB10025 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.4 CC1=NN=CC1N MB09907 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.4 CC1C(=NC=N1)C AB09621 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.4 Cc1c(cco1)N AB71442 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.4 Cc1c(cno1)N MB10128 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.4 Cc1c(con1)N MB11367 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.4 Cc1c(nco1)N MB11380 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.4 Cc1c(ocn1)C AB63543 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.4 Cc1c(ocn1)N MB11381 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.4 Cc1ccsc1Br PB25943 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.4 Cc1cnoc1N MB11360 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 Cc1conc1N MB11363 [0,0,0,0,0,0|2,1,0]=3 17 B7R1.4 Cc1nccn1N AB44383 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.4 Cn1c(ccn1)N PB33809 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.4 Cn1c(cnn1)Br AB69597 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.4 Cn1c(cnn1)I AB69606 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.4 Cn1ccnc1Br AB11315 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.4 Cn1ccnc1Cl AB11324 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.4 Cn1ccnc1I PB32223 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.4 Cn1ccnc1N AB59774 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.4 Cn1cncc1Br AB09509 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.4 Cn1cncc1I PB12244 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.4 Cn1cnnc1Br AB57304 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.4 c1c(c(cs1)Br)Br AB00432 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.4 c1coc(c1N)Br AB71394 [0,0,0,0,0,0|4,0,0]=4 30 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,0,0,0|2,0,1]=4 31 B6R1.2 CC1=CN=CC1 PB12076 [1,0,0,0,0,0|1,0,1]=3 32 B6R1.2 CC1=CN=NC1 AB00390 [1,0,0,0,0,0|2,0,1]=4 33 B6R1.2 CC1=NC=CC1 AB12705 [1,0,0,0,0,0|2,0,1]=4 34 B6R1.2 Cc1ccon1 AB01288 [1,0,0,0,0,0|1,1,0]=3 35 B6R1.2 Cc1cocn1 AB63545 [1,0,0,0,0,0|1,1,0]=3 36 B6R1.2 Cn1cccn1 PB33818 [1,0,0,0,0,0|3,0,0]=4 37 B6R1.2 Cn1ccnn1 AB51214 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 Cn1cnnc1 AB06345 [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 c1c(con1)Br AB11359 [1,0,0,0,0,0|2,1,0]=4 40 B6R1.2 c1c(con1)F AB68759 [1,0,0,0,0,0|2,1,0]=4 41 B6R1.2 c1c(con1)N AB43605 [1,0,0,0,0,0|2,1,0]=4 42 B6R1.2 c1c(csn1)Br AB25618 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 c1c(csn1)N AB11898 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 c1c(nco1)Br AB71589 [1,0,0,0,0,0|2,1,0]=4 45 B6R1.2 c1c(nco1)Cl AB71588 [1,0,0,0,0,0|2,1,0]=4 46 B6R1.2 c1c(nco1)N AB65031 [1,0,0,0,0,0|2,1,0]=4 47 B6R1.2 c1c(nsn1)Br AB65649 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 c1c(ocn1)Br AB68491 [1,0,0,0,0,0|3,0,0]=4 49 B6R1.2 c1c(ocn1)N MB10132 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 c1c(scn1)Br AB42975 [1,0,0,0,0,0|3,0,0]=4 51 B6R1.2 c1cc(oc1)Br AB04890 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 c1cc(sc1)N AB08372 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 c1ccn(c1)N PB33802 [1,0,0,0,0,0|3,0,0]=4 54 B6R1.2 c1cn(cn1)N AB53511 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 c1cnoc1N MB00706 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 c1conc1N PB33787 [1,0,0,0,0,0|2,1,0]=4 57 B6R1.2 c1conc1O MB20248 [1,0,0,0,0,0|2,1,0]=4 58 B6R1.2 c1cscc1N MB09694 [1,0,0,0,0,0|1,0,0]=2 59 B6R1.2 c1cscc1N PB23357 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.11 Cc1c(ccs1)C#N AB71665 [0,1,0,0,0,0|2,0,1]=4 62 B8R1.11 Cc1c(ccs1)C=O AB53893 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.11 Cc1c(ccs1)CCl AB76281 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.11 Cc1c(con1)CN MB06775 [0,1,0,0,0,0|1,1,0]=3 65 B8R1.11 Cc1c(nco1)CCl AB71571 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.11 Cc1c(nco1)CN AB68727 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.11 Cc1c(ncs1)CCl AB76286 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.11 Cc1c(ncs1)CO AB44114 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.11 Cc1c(non1)CN AB28419 [0,1,0,0,0,0|2,1,0]=4 70 B8R1.11 Cc1c(ocn1)CCl MB08890 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.11 Cc1c(ocn1)CO MB03682 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.11 Cc1c(scn1)CCl AB43190 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.11 Cc1c(scn1)CN AB43198 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.11 Cn1c(ccn1)CN PB24806 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.11 Cn1c(ccn1)CO PB14601 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.11 Cn1c(cnn1)CCl AB69595 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.11 Cn1c(cnn1)CN AB57111 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.11 Cn1cccc1C#N AB12660 [0,1,0,0,0,0|2,0,1]=4 79 B8R1.11 Cn1ccnc1CN MB07317 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.11 Cn1ccnc1CN PB30844 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.11 Cn1cncc1C#N PB24888 [0,1,0,0,0,0|2,0,1]=4 82 B8R1.11 Cn1cncc1C=O PB21631 [0,1,0,0,0,0|2,0,1]=4 83 B8R1.11 Cn1cncc1CCl AB49658 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.11 Cn1cncc1CN PB24886 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.11 Cn1cncc1CO PB17276 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.11 Cn1cnnc1CCl AB69765 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.11 Cn1cnnc1CN AB53790 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.11 Cn1cnnc1CO AB69764 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.11 Cn1cnnc1SC AB20821 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.11 c1c(c(cs1)Br)C#N AB07447 [0,1,0,0,0,0|1,0,1]=3 91 B8R1.11 c1c(c(cs1)Br)C=O AB08778 [0,1,0,0,0,0|1,0,1]=3 92 B8R1.11 c1csc(c1Br)CN PB34113 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.11 c1csc(c1Br)CO PB27714 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.11 c1csc(c1CBr)Br PB14291 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.11 c1csc(c1Cl)CN PB11803 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.11 c1csc(c1Cl)CO PB23440 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.18 Cc1c(cc(s1)Br)Br MB04800 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.18 Cc1c(cn(n1)C)Br PB23204 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.18 Cc1c(cn(n1)C)N AB10629 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.18 Cc1c(cn(n1)C)N PB34221 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.18 Cc1c(oc(n1)N)C AB25421 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.18 Cc1nc(cn1C)Br AB26584 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.50 CC1C(=C(N=N1)N)C AB44284 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.50 Cc1c(c(on1)C)Br PB14113 [0,1,0,0,0,0|2,1,0]=4 105 B8R1.50 Cc1c(c(on1)C)I AB04361 [0,1,0,0,0,0|2,1,0]=4 106 B8R1.50 Cc1c(cnn1C)Br AB51571 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.50 Cc1c(nnn1C)Br MB03747 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.50 Cc1cnc(n1C)Br AB26586 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.50 Cc1cnn(c1Br)C AB84867 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.50 Cc1ncc(n1C)Br AB26592 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.50 Cc1nnc(n1C)C AB07353 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.50 Cn1c(cnc1Br)Br AB09505 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.50 Cn1c(cnc1I)I PB10221 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.50 Cn1cnc(c1Br)Br AB07724 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.50 Cn1cnc(c1I)I AB12801 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.4 Cc1cc(ccn1)Br AB17599 [0,0,0,0,0,1|3,0,0]=4 117 B8R1.4 Cc1cc(ccn1)Br PB26077 [0,0,0,0,0,1|3,0,0]=4 118 B8R1.4 Cc1cc(ccn1)Cl AB01756 [0,0,0,0,0,1|3,0,0]=4 119 B8R1.4 Cc1cc(ccn1)F AB17919 [0,0,0,0,0,1|3,0,0]=4 120 B8R1.4 Cc1cc(ccn1)O PB24839 [0,0,0,0,0,1|3,0,0]=4 121 B8R1.4 Cc1cc(cnc1)Br AB09597 [0,0,0,0,0,1|2,0,0]=3 122 B8R1.4 Cc1cc(cnc1)Cl AB17994 [0,0,0,0,0,1|2,0,0]=3 123 B8R1.4 Cc1cc(cnc1)F AB13643 [0,0,0,0,0,1|2,0,0]=3 124 B8R1.4 Cc1cc(cnc1)N AB17573 [0,0,0,0,0,1|2,0,0]=3 125 B8R1.4 Cc1cc(cnc1)O MB01362 [0,0,0,0,0,1|2,0,0]=3 126 B8R1.4 Cc1cc(cnn1)N MB11385 [0,0,0,0,0,1|3,0,0]=4 127 B8R1.4 Cc1cc(ncn1)C PB24534 [0,0,0,0,0,1|3,0,0]=4 128 B8R1.4 Cc1cc(nnc1)Cl PB14716 [0,0,0,0,0,1|3,0,0]=4 129 B8R1.4 Cc1cc(nnc1)N AB61142 [0,0,0,0,0,1|3,0,0]=4 130 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [0,0,0,0,0,1|3,0,0]=4 131 B8R1.4 Cc1cccc(n1)Br AB01812 [0,0,0,0,0,1|2,0,0]=3 132 B8R1.4 Cc1cccc(n1)Cl AB00666 [0,0,0,0,0,1|2,0,0]=3 133 B8R1.4 Cc1cccc(n1)F AB01860 [0,0,0,0,0,1|2,0,0]=3 134 B8R1.4 Cc1cccc(n1)N AB00717 [0,0,0,0,0,1|2,0,0]=3 135 B8R1.4 Cc1cccc(n1)O AB00679 [0,0,0,0,0,1|2,0,0]=3 136 B8R1.4 Cc1cccc(n1)S AB25230 [0,0,0,0,0,1|2,0,0]=3 137 B8R1.4 Cc1ccnc(c1)Br AB03099 [0,0,0,0,0,1|3,0,0]=4 138 B8R1.4 Cc1ccnc(c1)Cl PB10051 [0,0,0,0,0,1|3,0,0]=4 139 B8R1.4 Cc1ccnc(c1)F AB01854 [0,0,0,0,0,1|3,0,0]=4 140 B8R1.4 Cc1ccnc(c1)N AB00703 [0,0,0,0,0,1|3,0,0]=4 141 B8R1.4 Cc1ccnc(c1)O AB03735 [0,0,0,0,0,1|3,0,0]=4 142 B8R1.4 Cc1ccnc(n1)Cl PB14106 [0,0,0,0,0,1|3,0,0]=4 143 B8R1.4 Cc1ccnc(n1)N MB00179 [0,0,0,0,0,1|3,0,0]=4 144 B8R1.4 Cc1cncc(n1)Br AB48617 [0,0,0,0,0,1|2,0,0]=3 145 B8R1.4 Cc1cncc(n1)Cl AB02267 [0,0,0,0,0,1|2,0,0]=3 146 B8R1.4 Cc1cncc(n1)N AB43812 [0,0,0,0,0,1|2,0,0]=3 147 B8R1.4 Cc1cnnc(n1)Cl AB85248 [0,0,0,0,0,1|3,0,0]=4 148 B8R1.4 Cc1nc(cnn1)Cl AB66817 [0,0,0,0,0,1|3,0,0]=4 149 B8R1.4 Cc1nccc(n1)Cl PB30633 [0,0,0,0,0,1|3,0,0]=4 150 B8R1.4 Cc1nccc(n1)N AB06587 [0,0,0,0,0,1|3,0,0]=4 151 B8R1.4 c1c(cncc1Br)Br AB01172 [0,0,0,0,0,1|3,0,0]=4 152 B8R1.4 c1c(cncc1Br)Cl AB18001 [0,0,0,0,0,1|3,0,0]=4 153 B8R1.4 c1c(cncc1Br)N PB12251 [0,0,0,0,0,1|3,0,0]=4 154 B8R1.4 c1c(cncc1Br)O PB30658 [0,0,0,0,0,1|3,0,0]=4 155 B8R1.4 c1c(cncc1Cl)Cl AB00743 [0,0,0,0,0,1|3,0,0]=4 156 B8R1.4 c1c(cncc1Cl)F AB21896 [0,0,0,0,0,1|3,0,0]=4 157 B8R1.4 c1c(cncc1Cl)N AB15758 [0,0,0,0,0,1|3,0,0]=4 158 B8R1.4 c1c(cncc1F)F AB14383 [0,0,0,0,0,1|3,0,0]=4 159 B8R1.4 c1c(cncc1F)N AB05123 [0,0,0,0,0,1|3,0,0]=4 160 B8R1.4 c1c(cncc1F)O AB13569 [0,0,0,0,0,1|3,0,0]=4 161 B8R1.4 c1c(cncc1I)Br AB13102 [0,0,0,0,0,1|3,0,0]=4 162 B8R1.4 c1c(cncc1I)Cl AB43784 [0,0,0,0,0,1|3,0,0]=4 163 B8R1.4 c1c(cncc1I)F AB45557 [0,0,0,0,0,1|3,0,0]=4 164 B8R1.4 c1c(cncc1I)I PB19957 [0,0,0,0,0,1|3,0,0]=4 165 B8R1.4 c1c(cncc1I)N AB43802 [0,0,0,0,0,1|3,0,0]=4 166 B8R1.4 c1c(cncc1N)N AB07746 [0,0,0,0,0,1|3,0,0]=4 167 B8R1.4 c1c(cncc1O)N AB17983 [0,0,0,0,0,1|3,0,0]=4 168 B8R1.4 c1c(cncc1O)O MB02073 [0,0,0,0,0,1|3,0,0]=4 169 B8R1.4 c1c(nc(cn1)Br)Br AB52791 [0,0,0,0,0,1|3,0,0]=4 170 B8R1.4 c1c(nc(cn1)Br)Cl AB48957 [0,0,0,0,0,1|3,0,0]=4 171 B8R1.4 c1c(nc(cn1)Br)F MB14129 [0,0,0,0,0,1|3,0,0]=4 172 B8R1.4 c1c(nc(cn1)Br)N AB60541 [0,0,0,0,0,1|3,0,0]=4 173 B8R1.4 c1c(nc(cn1)Cl)Cl PB14072 [0,0,0,0,0,1|3,0,0]=4 174 B8R1.4 c1c(nc(cn1)Cl)F MB14158 [0,0,0,0,0,1|3,0,0]=4 175 B8R1.4 c1c(nc(cn1)Cl)N PB12992 [0,0,0,0,0,1|3,0,0]=4 176 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [0,0,0,0,0,1|3,0,0]=4 177 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [0,0,0,0,0,1|3,0,0]=4 178 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [0,0,0,0,0,1|3,0,0]=4 179 B8R1.4 c1cc(nc(c1)Br)F AB13626 [0,0,0,0,0,1|3,0,0]=4 180 B8R1.4 c1cc(nc(c1)Br)N PB32140 [0,0,0,0,0,1|3,0,0]=4 181 B8R1.4 c1cc(nc(c1)Br)O AB05100 [0,0,0,0,0,1|3,0,0]=4 182 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [0,0,0,0,0,1|3,0,0]=4 183 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [0,0,0,0,0,1|3,0,0]=4 184 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [0,0,0,0,0,1|3,0,0]=4 185 B8R1.4 c1cc(nc(c1)F)N AB17974 [0,0,0,0,0,1|3,0,0]=4 186 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [0,0,0,0,0,1|3,0,0]=4 187 B8R1.4 c1cc(nc(c1)I)I AB31088 [0,0,0,0,0,1|3,0,0]=4 188 B8R1.4 c1cc(nc(c1)I)N AB42508 [0,0,0,0,0,1|3,0,0]=4 189 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [0,0,0,0,0,1|3,0,0]=4 190 B8R1.5 Cc1c(cccn1)Br PB27472 [0,0,0,0,0,1|2,0,0]=3 191 B8R1.5 Cc1c(cccn1)Cl AB17903 [0,0,0,0,0,1|2,0,0]=3 192 B8R1.5 Cc1c(cccn1)F AB48604 [0,0,0,0,0,1|2,0,0]=3 193 B8R1.5 Cc1c(cccn1)N PB33695 [0,0,0,0,0,1|2,0,0]=3 194 B8R1.5 Cc1c(cccn1)O PB18442 [0,0,0,0,0,1|2,0,0]=3 195 B8R1.5 Cc1c(ccnn1)N MB11382 [0,0,0,0,0,1|3,0,0]=4 196 B8R1.5 Cc1c(cncn1)Br PB26552 [0,0,0,0,0,1|2,0,0]=3 197 B8R1.5 Cc1c(cncn1)N PB26435 [0,0,0,0,0,1|2,0,0]=3 198 B8R1.5 Cc1c(nccn1)Br PB10597 [0,0,0,0,0,1|3,0,0]=4 199 B8R1.5 Cc1c(nccn1)Cl PB18413 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.5 Cc1c(nccn1)I PB26409 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.5 Cc1c(nccn1)N PB32667 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.5 Cc1c(nccn1)O PB12942 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.5 Cc1cccnc1Br AB05448 [0,0,0,0,0,1|2,0,0]=3 204 B8R1.5 Cc1cccnc1Cl AB05179 [0,0,0,0,0,1|2,0,0]=3 205 B8R1.5 Cc1cccnc1N AB17908 [0,0,0,0,0,1|2,0,0]=3 206 B8R1.5 Cc1cccnc1O AB03538 [0,0,0,0,0,1|2,0,0]=3 207 B8R1.5 Cc1ccncc1Br AB03104 [0,0,0,0,0,1|2,0,0]=3 208 B8R1.5 Cc1ccncc1Cl AB18019 [0,0,0,0,0,1|2,0,0]=3 209 B8R1.5 Cc1ccncc1F AB18002 [0,0,0,0,0,1|2,0,0]=3 210 B8R1.5 Cc1ccncc1N PB14127 [0,0,0,0,0,1|2,0,0]=3 211 B8R1.5 Cc1ccncc1O PB23391 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.5 Cc1ccnnc1Cl PB34304 [0,0,0,0,0,1|3,0,0]=4 213 B8R1.5 Cc1ccnnc1N MB06298 [0,0,0,0,0,1|3,0,0]=4 214 B8R1.5 Cc1cnccc1Br AB20846 [0,0,0,0,0,1|2,0,0]=3 215 B8R1.5 Cc1cnccc1Br PB23248 [0,0,0,0,0,1|2,0,0]=3 216 B8R1.5 Cc1cnccc1Cl AB11511 [0,0,0,0,0,1|2,0,0]=3 217 B8R1.5 Cc1cnccc1F AB18013 [0,0,0,0,0,1|2,0,0]=3 218 B8R1.5 Cc1cnccc1N PB17234 [0,0,0,0,0,1|2,0,0]=3 219 B8R1.5 Cc1cncnc1Cl AB44072 [0,0,0,0,0,1|2,0,0]=3 220 B8R1.5 Cc1cncnc1N AB54983 [0,0,0,0,0,1|2,0,0]=3 221 B8R1.5 Cc1cncnc1O AB09558 [0,0,0,0,0,1|2,0,0]=3 222 B8R1.5 Cc1cnncc1N MB11384 [0,0,0,0,0,1|2,0,0]=3 223 B8R1.5 c1c(c(ncn1)Br)N MB08406 [0,0,0,0,0,1|3,0,0]=4 224 B8R1.5 c1c(c(ncn1)Cl)Br PB14722 [0,0,0,0,0,1|3,0,0]=4 225 B8R1.5 c1c(c(ncn1)Cl)Cl PB28007 [0,0,0,0,0,1|3,0,0]=4 226 B8R1.5 c1c(c(ncn1)Cl)F AB51357 [0,0,0,0,0,1|3,0,0]=4 227 B8R1.5 c1c(c(ncn1)Cl)I PB23589 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.5 c1c(c(ncn1)I)Br PB11068 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.5 c1c(c(ncn1)N)Br MB00976 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.5 c1c(c(ncn1)N)N AB00594 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.5 c1c(c(ncn1)O)Br PB32183 [0,0,0,0,0,1|3,0,0]=4 232 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [0,0,0,0,0,1|3,0,0]=4 233 B8R1.5 c1c(c(ncn1)O)I PB34035 [0,0,0,0,0,1|3,0,0]=4 234 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.5 c1cc(c(nc1)Br)F PB14380 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.5 c1cc(c(nc1)Br)I MB06974 [0,0,0,0,0,1|3,0,0]=4 238 B8R1.5 c1cc(c(nc1)Br)N AB17900 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.5 c1cc(c(nc1)Br)N PB26005 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.5 c1cc(c(nc1)Br)O PB28951 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.5 c1cc(c(nc1)F)I AB13652 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.5 c1cc(c(nc1)F)N AB17917 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.5 c1cc(c(nc1)I)Br AB45745 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.5 c1cc(c(nc1)I)F AB13656 [0,0,0,0,0,1|3,0,0]=4 251 B8R1.5 c1cc(c(nc1)I)I AB25846 [0,0,0,0,0,1|3,0,0]=4 252 B8R1.5 c1cc(c(nc1)I)O MB00322 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.5 c1cc(c(nc1)N)Br PB20016 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.5 c1cc(c(nc1)N)F AB17912 [0,0,0,0,0,1|3,0,0]=4 256 B8R1.5 c1cc(c(nc1)N)I PB12756 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.5 c1cc(c(nc1)N)O AB00700 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.5 c1cc(c(nc1)N)O AB17906 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.5 c1cc(c(nc1)N)S AB64540 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.5 c1cc(c(nc1)O)Br PB12284 [0,0,0,0,0,1|3,0,0]=4 261 B8R1.5 c1cc(c(nc1)O)F AB13427 [0,0,0,0,0,1|3,0,0]=4 262 B8R1.5 c1cc(c(nc1)O)I AB53303 [0,0,0,0,0,1|3,0,0]=4 263 B8R1.5 c1cc(c(nc1)O)N PB30752 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.5 c1cncc(c1Br)Br AB05087 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.5 c1cncc(c1Br)Cl AB17643 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.5 c1cncc(c1Br)F PB23387 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.5 c1cncc(c1Br)N AB17638 [0,0,0,0,0,1|3,0,0]=4 268 B8R1.5 c1cncc(c1Br)O AB13187 [0,0,0,0,0,1|3,0,0]=4 269 B8R1.5 c1cncc(c1Cl)Br AB05074 [0,0,0,0,0,1|3,0,0]=4 270 B8R1.5 c1cncc(c1Cl)Cl AB10192 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.5 c1cncc(c1Cl)F AB15511 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.5 c1cncc(c1Cl)I AB05089 [0,0,0,0,0,1|3,0,0]=4 273 B8R1.5 c1cncc(c1Cl)N AB05299 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.5 c1cncc(c1Cl)O AB12281 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.5 c1cncc(c1F)Br AB17892 [0,0,0,0,0,1|3,0,0]=4 276 B8R1.5 c1cncc(c1F)Cl AB21349 [0,0,0,0,0,1|3,0,0]=4 277 B8R1.5 c1cncc(c1F)F AB18023 [0,0,0,0,0,1|3,0,0]=4 278 B8R1.5 c1cncc(c1F)N AB50028 [0,0,0,0,0,1|3,0,0]=4 279 B8R1.5 c1cncc(c1F)O AB64515 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.5 c1cncc(c1I)F PB21191 [0,0,0,0,0,1|3,0,0]=4 281 B8R1.5 c1cncc(c1I)N PB23406 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.5 c1cncc(c1I)O MB06807 [0,0,0,0,0,1|3,0,0]=4 283 B8R1.5 c1cncc(c1N)Br AB28611 [0,0,0,0,0,1|3,0,0]=4 284 B8R1.5 c1cncc(c1N)Cl AB16891 [0,0,0,0,0,1|3,0,0]=4 285 B8R1.5 c1cncc(c1N)F PB33879 [0,0,0,0,0,1|3,0,0]=4 286 B8R1.5 c1cncc(c1N)I AB12095 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.5 c1cncc(c1O)Br AB09574 [0,0,0,0,0,1|3,0,0]=4 288 B8R1.5 c1cncc(c1O)F AB18011 [0,0,0,0,0,1|3,0,0]=4 289 B5R1.1 c1cocn1 PB17048 [2,0,0,0,0,0|1,1,0]=4 290 B7R1.1 CCC1=CN=CC1 AB31265 [1,1,0,0,0,0|1,0,1]=4 291 B7R1.1 c1c(con1)CN AB28201 [1,1,0,0,0,0|1,1,0]=4 292 B7R1.1 c1c(con1)CN PB34298 [1,1,0,0,0,0|1,1,0]=4 293 B7R1.1 c1c(con1)CO PB14463 [1,1,0,0,0,0|1,1,0]=4 294 B7R1.1 c1c(csn1)C=O AB62620 [1,1,0,0,0,0|1,0,1]=4 295 B7R1.1 c1c(csn1)CCl AB74096 [1,1,0,0,0,0|1,0,0]=3 296 B7R1.1 c1c(csn1)CN AB62615 [1,1,0,0,0,0|1,0,0]=3 297 B7R1.1 c1c(nco1)CCl AB71585 [1,1,0,0,0,0|1,1,0]=4 298 B7R1.1 c1c(nco1)CN PB29323 [1,1,0,0,0,0|1,1,0]=4 299 B7R1.1 c1c(nco1)CO PB29559 [1,1,0,0,0,0|1,1,0]=4 300 B7R1.1 c1c(ncs1)C=O AB06592 [1,1,0,0,0,0|1,0,1]=4 301 B7R1.1 c1c(ncs1)CCl AB10919 [1,1,0,0,0,0|1,0,0]=3 302 B7R1.1 c1c(ncs1)CN AB27866 [1,1,0,0,0,0|1,0,0]=3 303 B7R1.1 c1c(ncs1)CN PB21996 [1,1,0,0,0,0|1,0,0]=3 304 B7R1.1 c1c(ncs1)CO AB20478 [1,1,0,0,0,0|1,0,0]=3 305 B7R1.1 c1c(ocn1)CCl AB42450 [1,1,0,0,0,0|2,0,0]=4 306 B7R1.1 c1c(ocn1)CN AB30442 [1,1,0,0,0,0|2,0,0]=4 307 B7R1.1 c1c(ocn1)CO PB32681 [1,1,0,0,0,0|2,0,0]=4 308 B7R1.1 c1c(scn1)CCl AB64977 [1,1,0,0,0,0|2,0,0]=4 309 B7R1.1 c1c(scn1)CN AB27929 [1,1,0,0,0,0|2,0,0]=4 310 B7R1.1 c1c(scn1)CN PB32316 [1,1,0,0,0,0|2,0,0]=4 311 B7R1.1 c1c(scn1)CO AB20492 [1,1,0,0,0,0|2,0,0]=4 312 B7R1.1 c1cc(oc1)CCl MB06568 [1,1,0,0,0,0|2,0,0]=4 313 B7R1.1 c1cc(sc1)CN PB17027 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.1 c1cc(sc1)CO PB10001 [1,1,0,0,0,0|2,0,0]=4 315 B7R1.1 c1cnoc1CN AB27950 [1,1,0,0,0,0|2,0,0]=4 316 B7R1.1 c1cnoc1CN AB27954 [1,1,0,0,0,0|2,0,0]=4 317 B7R1.1 c1cnoc1CO AB28102 [1,1,0,0,0,0|2,0,0]=4 318 B7R1.1 c1cnsc1CCl AB70841 [1,1,0,0,0,0|2,0,0]=4 319 B7R1.1 c1cnsc1CN AB70840 [1,1,0,0,0,0|2,0,0]=4 320 B7R1.1 c1conc1CCl MB04274 [1,1,0,0,0,0|1,1,0]=4 321 B7R1.1 c1conc1CN PB24935 [1,1,0,0,0,0|1,1,0]=4 322 B7R1.1 c1conc1CO PB15902 [1,1,0,0,0,0|1,1,0]=4 323 B7R1.1 c1cscc1C#N PB27442 [1,1,0,0,0,0|0,0,1]=3 324 B7R1.1 c1cscc1C=O PB14065 [1,1,0,0,0,0|0,0,1]=3 325 B7R1.1 c1cscc1CN AB13999 [1,1,0,0,0,0|0,0,0]=2 326 B7R1.1 c1cscc1CN PB12237 [1,1,0,0,0,0|0,0,0]=2 327 B7R1.1 c1cscc1CO PB10036 [1,1,0,0,0,0|0,0,0]=2 328 B7R1.1 c1csnc1CN PB23687 [1,1,0,0,0,0|1,0,0]=3 329 B7R1.2 CC1=NC(=O)N=C1 AB05017 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.2 Cc1cc(cs1)Br AB20690 [1,1,0,0,0,0|1,0,0]=3 331 B7R1.2 Cc1cc(no1)N PB28932 [1,1,0,0,0,0|2,0,0]=4 332 B7R1.2 Cc1cc(on1)N MB00134 [1,1,0,0,0,0|1,1,0]=4 333 B7R1.2 Cc1cc(sc1)C CB10250 [1,1,0,0,0,0|0,0,0]=2 334 B7R1.2 Cc1ccc(o1)Br AB64979 [1,1,0,0,0,0|2,0,0]=4 335 B7R1.2 Cc1ccn(n1)C PB27396 [1,1,0,0,0,0|2,0,0]=4 336 B7R1.2 Cc1cnc(o1)Br AB71573 [1,1,0,0,0,0|2,0,0]=4 337 B7R1.2 Cc1cnc(o1)C AB72158 [1,1,0,0,0,0|2,0,0]=4 338 B7R1.2 Cc1cnc(o1)Cl AB53091 [1,1,0,0,0,0|2,0,0]=4 339 B7R1.2 Cc1cnc(o1)N AB52683 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.2 Cc1cnc(o1)O AB53086 [1,1,0,0,0,0|2,0,0]=4 341 B7R1.2 Cc1cnc(s1)Br AB45716 [1,1,0,0,0,0|2,0,0]=4 342 B7R1.2 Cc1cnc(s1)Cl AB13892 [1,1,0,0,0,0|2,0,0]=4 343 B7R1.2 Cc1cnc(s1)N AB03001 [1,1,0,0,0,0|2,0,0]=4 344 B7R1.2 Cc1cnc(s1)O AB53102 [1,1,0,0,0,0|2,0,0]=4 345 B7R1.2 Cc1coc(n1)Br AB68303 [1,1,0,0,0,0|1,1,0]=4 346 B7R1.2 Cc1coc(n1)Cl AB68302 [1,1,0,0,0,0|1,1,0]=4 347 B7R1.2 Cc1coc(n1)N PB17112 [1,1,0,0,0,0|1,1,0]=4 348 B7R1.2 Cc1csc(n1)Br PB26224 [1,1,0,0,0,0|1,0,0]=3 349 B7R1.2 Cc1csc(n1)N AB00403 [1,1,0,0,0,0|1,0,0]=3 350 B7R1.2 Cc1nc(cs1)Br AB23819 [1,1,0,0,0,0|2,0,0]=4 351 B7R1.2 Cc1nc(sn1)Cl MB05736 [1,1,0,0,0,0|2,0,0]=4 352 B7R1.2 Cn1cc(nc1)I PB23238 [1,1,0,0,0,0|2,0,0]=4 353 B7R1.2 Cn1cc(nc1)N AB11896 [1,1,0,0,0,0|2,0,0]=4 354 B7R1.2 Cn1ccc(c1)Br AB63663 [1,1,0,0,0,0|2,0,0]=4 355 B7R1.2 c1c(csc1Cl)N PB15475 [1,1,0,0,0,0|1,0,0]=3 356 B7R1.2 c1c(nc(s1)Br)Br AB08804 [1,1,0,0,0,0|2,0,0]=4 357 B7R1.2 c1c(nc(s1)Br)Cl MB14083 [1,1,0,0,0,0|2,0,0]=4 358 B7R1.2 c1c(nc(s1)Br)F MB14090 [1,1,0,0,0,0|2,0,0]=4 359 B7R1.2 c1c(nc(s1)Br)N MB09052 [1,1,0,0,0,0|2,0,0]=4 360 B7R1.2 c1c(nc(s1)Cl)Br MB07558 [1,1,0,0,0,0|2,0,0]=4 361 B7R1.2 c1c(nc(s1)F)Br MB14192 [1,1,0,0,0,0|2,0,0]=4 362 B7R1.2 c1c(nc(s1)N)Br AB30368 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.2 CCc1cc(cnc1)Br PB34416 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.2 CCc1cc(cnc1)O MB12329 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.2 CCc1cccc(n1)Br MB10338 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.2 CNc1cc(cnc1)Br MB13417 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.2 CNc1cc(cnc1)O MB32689 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.2 CNc1cccc(c1)O MB25493 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.2 CNc1cccc(n1)Br AB50070 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.2 CNc1cccc(n1)Cl AB05190 [0,1,0,0,0,1|2,0,0]=4 371 B9R1.2 CNc1cncc(n1)Cl MB07975 [0,1,0,0,0,1|2,0,0]=4 372 B9R1.2 COc1cc(cnc1)Br PB24634 [0,1,0,0,0,1|2,0,0]=4 373 B9R1.2 COc1cc(cnc1)Cl AB55073 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.2 COc1cc(cnc1)F AB66777 [0,1,0,0,0,1|2,0,0]=4 375 B9R1.2 COc1cc(cnc1)I AB43793 [0,1,0,0,0,1|2,0,0]=4 376 B9R1.2 COc1cc(cnc1)N PB12653 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.2 COc1cc(cnc1)N PB25488 [0,1,0,0,0,1|2,0,0]=4 378 B9R1.2 COc1cc(cnc1)O AB29711 [0,1,0,0,0,1|2,0,0]=4 379 B9R1.2 COc1cccc(n1)Cl AB00671 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.2 COc1cccc(n1)F AB55818 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.2 COc1cccc(n1)I AB31101 [0,1,0,0,0,1|2,0,0]=4 382 B9R1.2 COc1cccc(n1)N AB21183 [0,1,0,0,0,1|2,0,0]=4 383 B9R1.2 COc1cccc(n1)O AB31854 [0,1,0,0,0,1|2,0,0]=4 384 B9R1.2 COc1cncc(n1)Cl PB29367 [0,1,0,0,0,1|2,0,0]=4 385 B9R1.2 COc1cncc(n1)N AB54770 [0,1,0,0,0,1|2,0,0]=4 386 B9R1.2 CSc1cc(cnc1)Br MB06469 [0,1,0,0,0,1|2,0,0]=4 387 B9R1.2 CSc1cc(cnc1)O MB28894 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.2 CSc1cccc(n1)Br MB07302 [0,1,0,0,0,1|2,0,0]=4 389 B9R1.2 Cc1cc(ccn1)CCl AB59910 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.2 Cc1cc(ccn1)CN AB25370 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.2 Cc1cc(cnc1)C=O PB18860 [0,1,0,0,0,1|1,0,1]=4 392 B9R1.2 Cc1cc(cnc1)CCl AB55820 [0,1,0,0,0,1|1,0,0]=3 393 B9R1.2 Cc1cc(cnc1)CN AB23459 [0,1,0,0,0,1|1,0,0]=3 394 B9R1.2 Cc1cc(cnc1)CO PB10532 [0,1,0,0,0,1|1,0,0]=3 395 B9R1.2 Cc1cc(cnc1)OC AB64998 [0,1,0,0,0,1|1,0,0]=3 396 B9R1.2 Cc1cc(nnc1)CN PB37868 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.2 Cc1cccc(n1)C#N AB04512 [0,1,0,0,0,1|1,0,1]=4 398 B9R1.2 Cc1cccc(n1)C=O AB00683 [0,1,0,0,0,1|1,0,1]=4 399 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,1,0,0,0,1|1,0,0]=3 400 B9R1.2 Cc1cccc(n1)CN AB22796 [0,1,0,0,0,1|1,0,0]=3 401 B9R1.2 Cc1cccc(n1)NC AB60602 [0,1,0,0,0,1|1,0,0]=3 402 B9R1.2 Cc1ccnc(c1)CCl AB42303 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.2 Cc1ccnc(c1)CN AB23452 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.2 Cc1ccnc(n1)CCl PB25297 [0,1,0,0,0,1|2,0,0]=4 405 B9R1.2 Cc1ccnc(n1)CN PB16292 [0,1,0,0,0,1|2,0,0]=4 406 B9R1.2 Cc1ccnc(n1)CO PB24151 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.2 Cc1cncc(n1)C=O AB62637 [0,1,0,0,0,1|1,0,1]=4 408 B9R1.2 Cc1cncc(n1)CCl AB60498 [0,1,0,0,0,1|1,0,0]=3 409 B9R1.2 Cc1cncc(n1)CN AB72296 [0,1,0,0,0,1|1,0,0]=3 410 B9R1.2 Cc1nccc(n1)CCl AB58939 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.2 Cc1nccc(n1)CN AB43194 [0,1,0,0,0,1|2,0,0]=4 412 B9R1.2 c1c(cncc1Br)CCl AB60029 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.2 c1c(cncc1Br)CCl PB25120 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.2 c1c(cncc1Br)CN PB23445 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.2 c1c(cncc1Br)CO PB29242 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.2 c1c(cncc1Cl)CCl AB60038 [0,1,0,0,0,1|2,0,0]=4 417 B9R1.2 c1c(cncc1Cl)CCl PB33259 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.2 c1c(cncc1Cl)CN AB63152 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.2 c1c(cncc1F)CCl PB35002 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.2 c1c(cncc1F)CN PB29533 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.2 c1c(cncc1F)CO PB12255 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.2 c1c(cncc1I)CCl AB45545 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.2 c1c(cncc1I)CO AB45541 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.2 c1c(cncc1N)CN AB31384 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.2 c1c(cncc1N)CO AB31625 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.2 c1c(cncc1O)CN MB28837 [0,1,0,0,0,1|2,0,0]=4 427 B9R1.2 c1c(nc(cn1)Br)CCl AB69950 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.2 c1c(nc(cn1)Br)CO MB14063 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.2 c1c(nc(cn1)Cl)CCl AB69949 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.2 c1c(nc(cn1)Cl)CN PB19729 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.2 c1c(nc(cn1)Cl)CO PB11152 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.3 Cc1cccc(c1F)N AB25121 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.3 Cc1cccc(c1I)O MB23494 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.3 Cc1cccc(c1N)Br MB03160 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.3 Cc1cccc(c1N)F MB03934 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.3 Cc1cccc(c1O)F MB11516 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.3 Cc1cccc(c1O)I MB23471 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.3 Cc1cccc(c1O)N MB02950 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.3 Cc1ccnc(c1Br)C AB53712 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.3 Cc1ccnc(c1N)C AB43810 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.3 Cc1ccnc(c1O)C AB43831 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.3 Cc1cncc(c1Br)C AB53717 [0,1,0,0,0,1|1,0,0]=3 458 B9R1.3 Cc1cncc(c1Br)Cl AB74973 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.3 Cc1cncc(c1Br)F AB74996 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.3 Cc1cncc(c1C)Br AB64494 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.3 Cc1cncc(c1C)N AB76783 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.3 Cc1cncc(c1C)O AB65620 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.3 Cc1cncc(c1Cl)Br AB75732 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.3 Cc1cncc(c1Cl)C AB50483 [0,1,0,0,0,1|1,0,0]=3 465 B9R1.3 Cc1cncc(c1Cl)N AB75728 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.3 Cc1cncc(c1Cl)O AB71654 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.3 Cc1cncc(c1F)Br AB74994 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.3 Cc1cncc(c1F)N AB66587 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.3 Cc1cncc(c1F)O AB82936 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.3 Cc1cncc(c1N)C AB14443 [0,1,0,0,0,1|1,0,0]=3 471 B9R1.3 Cc1cncc(c1N)Cl AB44879 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.3 Cc1cncc(c1N)F AB75360 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.3 Cc1cncc(c1N)N AB60255 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.3 Cc1cncc(c1O)C AB82550 [0,1,0,0,0,1|1,0,0]=3 475 B9R1.3 Cc1cncc(c1O)Cl AB75744 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.3 Cc1cncc(c1O)F AB25961 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.34 Cc1cc(cc(c1)Br)Cl AB45173 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.34 Cc1cc(cc(c1)Br)F AB10112 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.34 Cc1cc(cc(c1)Br)O MB06890 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.34 Cc1cc(cc(c1)Cl)Cl MB00382 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.34 Cc1cc(cc(c1)Cl)F AB13848 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.34 Cc1cc(cc(c1)Cl)O MB05590 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.34 Cc1cc(cc(c1)I)O MB11871 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.34 Cc1cc(cc(c1)O)N MB00602 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.34 Cc1cc(cc(n1)Br)Cl AB70506 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.34 Cc1cc(cc(n1)Br)F AB71085 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.34 Cc1cc(cc(n1)Br)N AB65433 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.34 Cc1cc(cc(n1)C)Br AB06743 [0,1,0,0,0,1|1,0,0]=3 489 B9R1.34 Cc1cc(cc(n1)C)Cl AB09599 [0,1,0,0,0,1|1,0,0]=3 490 B9R1.34 Cc1cc(cc(n1)C)N AB03678 [0,1,0,0,0,1|1,0,0]=3 491 B9R1.34 Cc1cc(cc(n1)C)O AB07775 [0,1,0,0,0,1|1,0,0]=3 492 B9R1.34 Cc1cc(cc(n1)Cl)Cl AB46092 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.34 Cc1cc(cc(n1)Cl)N AB05304 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.34 Cc1cc(cc(n1)F)Br AB71093 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.34 Cc1cc(cc(n1)N)Cl AB07298 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.34 Cc1cc(cc(n1)N)F AB70902 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.34 Cc1cc(cc(n1)O)Cl AB71203 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.34 Cc1cc(cc(n1)O)F AB71321 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.34 Cc1cc(cc(n1)O)O AB10075 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.34 Cc1cc(nc(c1)Br)C AB03103 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.34 Cc1cc(nc(c1)N)C AB00706 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.34 Cc1cc(nc(c1)O)C AB07368 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.34 Cc1cc(nc(n1)C)Cl AB05193 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.34 Cc1cc(nc(n1)C)O AB00587 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.69 Cc1c(cnc(n1)C)Br AB70482 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.69 Cc1c(nc(cn1)Cl)C AB68573 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.69 Cc1c(nc(cn1)N)C AB53106 [0,1,0,0,0,1|2,0,0]=4 523 B9R1.69 Cc1c(ncc(n1)Br)Br AB72476 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.69 Cc1c(ncc(n1)Br)Cl AB72492 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.69 Cc1c(ncc(n1)Br)I AB72495 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.69 Cc1c(ncc(n1)Br)N AB48639 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.69 Cc1c(ncc(n1)Br)O AB85718 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.69 Cc1c(ncc(n1)Cl)Br AB72477 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.69 Cc1c(ncc(n1)Cl)Cl AB70649 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.69 Cc1c(ncc(n1)Cl)F AB85699 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.69 Cc1c(ncc(n1)Cl)I AB72504 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.69 Cc1c(ncc(n1)Cl)N AB54525 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.69 Cc1c(ncc(n1)F)Br AB85703 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.69 Cc1c(ncc(n1)F)Cl AB85700 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.69 Cc1c(ncc(n1)I)Br AB72480 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.69 Cc1c(ncc(n1)N)Br AB48621 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.69 Cc1c(nnc(n1)C)Cl AB72440 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.69 Cc1cc(c(nc1)Br)C AB05204 [0,1,0,0,0,1|1,0,0]=3 539 B9R1.69 Cc1cc(c(nc1)Br)Cl AB53543 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.69 Cc1cc(c(nc1)Br)F AB55034 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.69 Cc1cc(c(nc1)C)Br AB05199 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.69 Cc1cc(c(nc1)C)N AB66586 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.69 Cc1cc(c(nc1)C)O AB65617 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.69 Cc1cc(c(nc1)Cl)Br AB09970 [0,1,0,0,0,1|2,0,0]=4 545 B9R1.69 Cc1cc(c(nc1)Cl)N AB15085 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.69 Cc1cc(c(nc1)Cl)O AB53552 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.69 Cc1cc(c(nc1)F)Br AB13665 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.69 Cc1cc(c(nc1)F)N AB66726 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.69 Cc1cc(c(nc1)F)O AB71300 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.69 Cc1cc(c(nc1)N)Br AB02784 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.69 Cc1cc(c(nc1)N)C AB62796 [0,1,0,0,0,1|1,0,0]=3 552 B9R1.69 Cc1cc(c(nc1)N)Cl AB32106 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.69 Cc1cc(c(nc1)N)F AB66724 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.69 Cc1cc(c(nc1)N)N AB16874 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.69 Cc1cc(c(nc1)O)Br AB16221 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.69 Cc1cc(c(nc1)O)C AB71284 [0,1,0,0,0,1|1,0,0]=3 557 B9R1.69 Cc1cc(c(nc1)O)Cl AB70490 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.69 Cc1cc(c(nc1)O)F AB71311 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.69 Cc1cc(c(nc1)O)N AB53563 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.69 Cc1cc(ccc1I)O MB06793 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.69 Cc1cc(cnc1Br)Br AB10779 [0,1,0,0,0,1|2,0,0]=4 562 B9R1.69 Cc1cc(cnc1Br)Cl AB13444 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.69 Cc1cc(cnc1Br)F AB53312 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.69 Cc1cc(cnc1Br)N AB13464 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.69 Cc1cc(cnc1Br)O AB53545 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.69 Cc1cc(cnc1C)Br AB64498 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.69 Cc1cc(cnc1C)Cl AB75734 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.69 Cc1cc(cnc1C)N AB42833 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.69 Cc1cc(cnc1C)O AB65534 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.69 Cc1cc(cnc1Cl)Cl AB16614 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.69 Cc1cc(cnc1Cl)F AB21234 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.69 Cc1cc(cnc1Cl)I CB11216 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.69 Cc1cc(cnc1Cl)N AB13470 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.69 Cc1cc(cnc1Cl)O PB31577 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.69 Cc1cc(cnc1F)Br AB13475 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.69 Cc1cc(cnc1F)Cl AB13483 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.69 Cc1cc(cnc1F)N AB13474 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.69 Cc1cc(cnc1F)O AB53562 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.69 Cc1cc(cnc1I)Br AB42361 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.69 Cc1cc(cnc1I)Cl AB75751 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.69 Cc1cc(cnc1N)Br AB02787 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.69 Cc1cc(cnc1N)Cl AB03635 [0,1,0,0,0,1|2,0,0]=4 583 B9R1.69 Cc1cc(cnc1N)F AB41238 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.69 Cc1cc(cnc1N)I AB10923 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.69 Cc1cc(cnc1O)Br AB15087 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.69 Cc1cc(cnc1O)Cl AB03537 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.69 Cc1cc(cnc1O)F AB82901 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.69 Cc1cc(cnc1O)I CB10781 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.69 Cc1cc(cnc1O)N AB41215 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.69 Cc1cc(ncc1Br)C AB53714 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.69 Cc1cc(ncc1N)C AB41994 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.69 Cc1cc(ncc1O)C AB44457 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.69 Cc1cc(nnc1Cl)C PB31877 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [0,1,0,0,0,1|2,0,0]=4 595 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [0,1,0,0,0,1|1,0,0]=3 604 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [0,1,0,0,0,1|2,0,0]=4 605 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [0,1,0,0,0,1|2,0,0]=4 606 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.69 Cc1ccc(nc1Br)C AB65454 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.69 Cc1ccc(nc1C)Br AB64947 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.69 Cc1ccc(nc1C)N AB23050 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.69 Cc1ccc(nc1C)O AB54521 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.69 Cc1ccc(nc1N)C AB25382 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.69 Cc1ccc(nc1O)C AB71286 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.69 Cc1cnc(c(n1)Br)C AB65522 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.69 Cc1cnc(c(n1)Br)N CB11261 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.69 Cc1cnc(c(n1)C)Br AB73101 [0,1,0,0,0,1|1,0,0]=3 623 B9R1.69 Cc1cnc(c(n1)C)Cl AB03542 [0,1,0,0,0,1|1,0,0]=3 624 B9R1.69 Cc1cnc(c(n1)C)N AB03436 [0,1,0,0,0,1|1,0,0]=3 625 B9R1.69 Cc1cnc(c(n1)Cl)C AB00609 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.15 CCc1c(cccn1)Br AB68544 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.15 CCc1c(cccn1)O MB01433 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.15 CCc1c(cncn1)F PB21906 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.15 CCc1ccncc1O MB12325 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.15 CCc1cnccc1Br PB37149 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.15 CCc1cnccc1O MB24095 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.15 CCc1cncnc1Cl AB62552 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.15 CNc1cccnc1Br AB39252 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.15 CNc1ccncc1O MB27525 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.15 CNc1cnccc1O MB29366 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.15 CNc1cncnc1Cl AB65907 [0,1,0,0,0,1|2,0,0]=4 637 B9R1.15 COc1c(cccn1)Br PB20024 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.15 COc1c(cccn1)Cl AB13603 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.15 COc1c(cccn1)F AB13397 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.15 COc1c(cccn1)I AB13400 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.15 COc1c(cccn1)N AB07386 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.15 COc1c(cccn1)O AB06074 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.15 COc1cccnc1Br PB29151 [0,1,0,0,0,1|2,0,0]=4 644 B9R1.15 COc1cccnc1Cl AB14749 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.15 COc1cccnc1I AB05182 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.15 COc1cccnc1N AB40614 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.15 COc1cccnc1O AB43293 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.15 COc1ccncc1Br AB22230 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.15 COc1ccncc1Cl AB51203 [0,1,0,0,0,1|2,0,0]=4 650 B9R1.15 COc1ccncc1F AB66775 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.15 COc1ccncc1I AB09106 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.15 COc1ccncc1N AB40817 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.15 COc1ccncc1O MB09117 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.15 COc1cnccc1Br AB43705 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.15 COc1cnccc1Br MB09674 [0,1,0,0,0,1|2,0,0]=4 656 B9R1.15 COc1cnccc1Cl AB66368 [0,1,0,0,0,1|2,0,0]=4 657 B9R1.15 COc1cnccc1F AB66590 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.15 COc1cnccc1N AB55709 [0,1,0,0,0,1|2,0,0]=4 659 B9R1.15 COc1cnccc1O MB25455 [0,1,0,0,0,1|2,0,0]=4 660 B9R1.15 CSc1c(cccn1)O MB01598 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.15 CSc1cccnc1Br MB13966 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.15 CSc1ccncc1O MB25632 [0,1,0,0,0,1|2,0,0]=4 663 B9R1.15 CSc1cnccc1O MB31499 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.15 Cc1c(cccn1)C#C AB66573 [0,1,0,0,0,1|1,0,1]=4 665 B9R1.15 Cc1c(cccn1)C#N PB23449 [0,1,0,0,0,1|1,0,1]=4 666 B9R1.15 Cc1c(cccn1)C=O PB27878 [0,1,0,0,0,1|1,0,1]=4 667 B9R1.15 Cc1c(cccn1)CBr PB19196 [0,1,0,0,0,1|1,0,0]=3 668 B9R1.15 Cc1c(cccn1)CCl AB51469 [0,1,0,0,0,1|1,0,0]=3 669 B9R1.15 Cc1c(cccn1)CCl PB28159 [0,1,0,0,0,1|1,0,0]=3 670 B9R1.15 Cc1c(cccn1)CN AB14093 [0,1,0,0,0,1|1,0,0]=3 671 B9R1.15 Cc1c(cccn1)CO AB01512 [0,1,0,0,0,1|1,0,0]=3 672 B9R1.15 Cc1c(cccn1)OC AB03569 [0,1,0,0,0,1|1,0,0]=3 673 B9R1.15 Cc1c(nccn1)CCl PB22746 [0,1,0,0,0,1|2,0,0]=4 674 B9R1.15 Cc1c(nccn1)CN PB38635 [0,1,0,0,0,1|2,0,0]=4 675 B9R1.15 Cc1c(nccn1)CO PB22269 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.15 Cc1cccnc1C=O PB14292 [0,1,0,0,0,1|1,0,1]=4 677 B9R1.15 Cc1cccnc1CCl PB32645 [0,1,0,0,0,1|1,0,0]=3 678 B9R1.15 Cc1cccnc1CN AB20671 [0,1,0,0,0,1|1,0,0]=3 679 B9R1.15 Cc1cccnc1CO AB12590 [0,1,0,0,0,1|1,0,0]=3 680 B9R1.15 Cc1cccnc1OC AB31414 [0,1,0,0,0,1|1,0,0]=3 681 B9R1.15 Cc1ccncc1C#C AB66569 [0,1,0,0,0,1|1,0,1]=4 682 B9R1.15 Cc1ccncc1C#N PB24636 [0,1,0,0,0,1|1,0,1]=4 683 B9R1.15 Cc1ccncc1C=O PB23498 [0,1,0,0,0,1|1,0,1]=4 684 B9R1.15 Cc1ccncc1CCl PB22427 [0,1,0,0,0,1|1,0,0]=3 685 B9R1.15 Cc1ccncc1CN PB14440 [0,1,0,0,0,1|1,0,0]=3 686 B9R1.15 Cc1ccncc1CO PB21746 [0,1,0,0,0,1|1,0,0]=3 687 B9R1.15 Cc1ccnnc1CN PB36913 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.15 Cc1cnccc1C#C AB66570 [0,1,0,0,0,1|1,0,1]=4 689 B9R1.15 Cc1cnccc1C#N PB23623 [0,1,0,0,0,1|1,0,1]=4 690 B9R1.15 Cc1cnccc1C=O AB11481 [0,1,0,0,0,1|1,0,1]=4 691 B9R1.15 Cc1cnccc1CCl PB24122 [0,1,0,0,0,1|1,0,0]=3 692 B9R1.15 Cc1cnccc1CN AB17090 [0,1,0,0,0,1|1,0,0]=3 693 B9R1.15 Cc1cnccc1CO PB32359 [0,1,0,0,0,1|1,0,0]=3 694 B9R1.15 Cc1cnncc1CN PB36093 [0,1,0,0,0,1|1,0,0]=3 695 B9R1.15 c1c(c(ncn1)N)CCl AB85293 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.15 c1cc(c(nc1)CN)F AB55320 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.15 c1cc(c(nc1)CN)F PB13118 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.15 c1cc(c(nc1)CN)N AB48448 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.15 c1cc(c(nc1)CN)O MB01728 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.15 c1cc(c(nc1)CO)F PB22208 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.15 c1cc(c(nc1)CO)N AB31896 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.15 c1cc(c(nc1)CO)O MB00702 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [0,1,0,0,0,1|2,0,0]=4 717 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [0,1,0,0,0,1|2,0,0]=4 718 B9R1.15 c1cc(c(nc1)F)CN AB23466 [0,1,0,0,0,1|2,0,0]=4 719 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [0,1,0,0,0,1|2,0,0]=4 720 B9R1.15 c1cc(c(nc1)N)CO PB32383 [0,1,0,0,0,1|2,0,0]=4 721 B9R1.15 c1cc(c(nc1)O)CO AB52938 [0,1,0,0,0,1|2,0,0]=4 722 B9R1.15 c1ccc(c(c1)CI)O MB07048 [0,1,0,0,0,1|2,0,0]=4 723 B9R1.15 c1ccc(c(c1)CN)O MB01565 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.15 c1cncc(c1Br)CCl AB67965 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.15 c1cncc(c1Br)CN AB67954 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.15 c1cncc(c1CCl)Br AB67648 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.15 c1cncc(c1CCl)Cl AB67608 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.15 c1cncc(c1CCl)F AB67665 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.15 c1cncc(c1CN)Br AB63141 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.15 c1cncc(c1CN)Cl AB63139 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.15 c1cncc(c1CN)F AB63136 [0,1,0,0,0,1|2,0,0]=4 732 B9R1.15 c1cncc(c1CN)N AB49287 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.15 c1cncc(c1CN)O MB09249 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.15 c1cncc(c1CO)Br PB19192 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.15 c1cncc(c1CO)F PB29849 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.15 c1cncc(c1CO)N AB25787 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.15 c1cncc(c1Cl)CCl AB60091 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.15 c1cncc(c1Cl)CN AB49675 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.15 c1cncc(c1F)CCl AB68054 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.15 c1cncc(c1F)CN AB68023 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.15 c1cncc(c1N)CCl AB31893 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.15 c1cncc(c1N)CO PB14435 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.15 c1cncc(c1O)CN MB35531 [0,1,0,0,0,1|2,0,0]=4 744 B9R1.14 CCC1=C(C=NC1)CC AB43391 [0,2,0,0,0,0|1,0,1]=4 745 B9R1.14 c1c(c(cs1)C#N)C#N AB08407 [0,2,0,0,0,0|0,0,2]=4 746 B9R1.22 Cc1c(cn(n1)C)CCl AB72467 [0,2,0,0,0,0|2,0,0]=4 747 B9R1.22 Cc1c(cn(n1)C)CN AB10627 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.22 Cc1c(cn(n1)C)CO AB11625 [0,2,0,0,0,0|2,0,0]=4 749 B9R1.22 Cc1cn(nc1CO)C AB63452 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.27 CCC1=C(CNC1=O)C AB04375 [0,2,0,0,0,0|1,0,1]=4 751 B9R1.27 Cc1csc(c1C#N)N AB05902 [0,2,0,0,0,0|0,0,1]=3 752 B9R1.33 CNCc1cccn1C AB22465 [0,2,0,0,0,0|2,0,0]=4 753 B9R1.33 CNCc1cncn1C AB42250 [0,2,0,0,0,0|2,0,0]=4 754 B9R1.41 B(c1cscc1Br)(O)O AB30026 [0,2,0,0,0,0|2,0,0]=4 755 B9R1.41 B(c1cscc1Cl)(O)O AB72536 [0,2,0,0,0,0|2,0,0]=4 756 B9R1.41 CC1=C(C=NC1)C(=O)C AB03448 [0,2,0,0,0,0|1,0,1]=4 757 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [0,2,0,0,0,0|1,0,1]=4 758 B9R1.132 CC1=C(C(=NC1)C#N)C PB25492 [0,2,0,0,0,0|1,0,1]=4 759 B9R1.132 CC1=C(C(=NC1)C=O)C PB21628 [0,2,0,0,0,0|1,0,1]=4 760 B9R1.132 Cc1cnc(n1C)C=O AB62623 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.132 Cc1cnc(n1C)CCl AB70176 [0,2,0,0,0,0|2,0,0]=4 762 B9R1.132 Cc1cnc(n1C)CN AB70180 [0,2,0,0,0,0|2,0,0]=4 763 B9R1.132 Cn1c(cnc1Br)CN AB56941 [0,2,0,0,0,0|2,0,0]=4 764 B9R1.132 Cn1c(cnc1Br)CO AB39257 [0,2,0,0,0,0|2,0,0]=4 765 B9R1.132 Cn1c(cnc1Cl)CN AB56939 [0,2,0,0,0,0|2,0,0]=4 766 B9R1.132 Cn1c(cnc1N)CO AB27795 [0,2,0,0,0,0|2,0,0]=4 767 B9R1.132 Cn1c(cnc1S)CO AB04871 [0,2,0,0,0,0|2,0,0]=4 768 B9R1.23 Cc1cc(sc1C)CN AB72614 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.37 Cc1c(c(sc1Br)C)Br MB09669 [0,2,0,0,0,0|1,0,0]=3 770 B9R1.37 Cc1c(n(c(n1)N)C)C AB68809 [0,2,0,0,0,0|2,0,0]=4 771 B9R1.37 Cc1c(nc(n1C)Br)Br AB26580 [0,2,0,0,0,0|2,0,0]=4 772 B9R2.3 c1c2c(on1)CNC2 AB76720 [0,1,0,1,0,0|2,0,0]=4